X2JG15_DROME Loading...

Lipid droplet defective, isoform E

AlphaFold DB , UniProt , Accession X2JG15, Species DROME (Drosophila melanogaster, Fruit fly), Gene ldd, Length 1,998 aa.

>X2JG15_DROME|X2JG15|ldd
MRVHLNGREVRELLRKDLLVRWRQKGLSLILLAWPVMVFMLLYLIRLKYGSEELEACQYPTRLLPTKNQVVPAAFSYICSIENRCQPAHPYEEYSHWKEAPLHSVIDVVNAFVTDERLHKAVVELAEKANFVSAITTLITSDRFDIIRSNISEIISLVPEIERRMNYSFDIKHLFSNRETFVKLGVLLCGHPFPNTDTIPLVNEILESEDFSQANDAEIDAMPTRRRRRYEDLPTDWRPTKYCKRLYRDVTSTNQGKLTWNTIKPIIQGRILYTPANAMTESVVKFSNASFEELDRLKQLSRAAATILTKLHTNATFQEAFDNLLKLAKSPLVKSLVGDDFDIGEIERVFEYIRTNQLIYDILTTVADLMDCVSADRFEAVESVEELHKRAYELNQNKLFLAALNLEDVGLKQASYRLHMDTDNTQPTFENRNRFWFPGPADSMVIDLKYHRGFVQLKQMVDLGIIKSKREEAGFAPEEDGPESGRSLSGLFSIKQVENDTPDEDDDDFDLSLEESGDEKAAPKVSASASDHEATTISPSSLDGVTTEEVRVTTEQTVVSGDPDLLLLKNEDVLKRSKRQGLFDLLGGFGGSGDANKKNKFEVDNMQFYTKQFPYPAFLNDVFKRGLYLAQGVQVAYLLGLVVFVALSVRERIWMRESRNSMLMRSMGLKAHSELVAWALMSFLELCVIFALISGVLYSGGILGYTNWFFMMFYCLSFGLCLISFCYMCTNFFNSANIGAVASALLFFISLCPFIIVLMFDAKLSVFESFLVDLSFTTAFAKGWGELIRMELQQEGLTVRHLIQVGPARSECAMALLMFLLDLLLYAVIGLAYQRYKKTDNYSFVKVSRSQLDGKLGASLVNVSKLYGSKCAVSNLSLDFARNQVSCLLGRNGAGKSTLIKLLTGQIRQSSGKVLLAGEHQVGVCWQDNILIPTLTAREHLQLYAQIKIPPGGSGGVEEIRSEVAQTLQSLNFGKHESYPSWQLSGGYRRRLCVAIAFIASPSVVILDEPCNGVDAKARKDIWQLIERLRQGRAVIFATHFMDEAKYLSDSLVIMRNGRIIAQHSRDSLQRLCTSNYSIRLRCADATGVTFVIQKAQQLLPQTQVTHSGAADYPHSLTINASYAEHLTPGAVEFLELLQSQVTAGSISDVELTTSSSLEQEFEQLNRNGEDAGPRRPASDRSGVVAGPAMITDEPPTACKQFRLLMGKRLRHLSRNYRLLLYVLLLPALFELCAMWFVSYRLEDDFDTVLPLSRSLYPQTAQFLSHERATSFSEKLYPQLRTSCDHLGECRVFNTSQQSYDWVLNSWGEYSERRYGGYGLNGSGATVWYNNKGYHSMMAWLNDLNSELLRTTMNDSESSILTLNEPWKLGFAELSTSSILRQAGDGSMVFILLIAFGLVVASGSVYLVNERVNGEKLQQRLCGVSAVTYWLVALVWDYLVMVLGLIVCLVVILMFGMPVFVDRQQLVGIIGLSLAFSFACVPSVHVAEKIFSDSSIAIVSIFCANLIVPLVTMGIILILGVVGDGPAWDDWRHALNQAFLIFPIHALGDGFLELCKNYMVALVFRRYDIDSYKHPLASDLLGRHFTALLLVGVAALIINVLIEWHLLRRLWQRVERLLDCTYRRELDKLGQLKLVNIQSIFKSCVDTGEAVRAENLWLAYRRGHYAVRNVNFSVQRGECFGLLGKNGAGKSTIFKLLTGQLQPDVGQIYFEQPGISYCPQSNPLDPLLTTTECIRFYGRLRGIRDLDQFLDRVLDTYELRPYKDVQVRNLSGGNRRKLTVAVTCCGCTPTVLMDEPTSDMDPVTRDMVYATIEQLLLARRAVVLTSHSVSEIEHLCQRVAVLRAGQVIASDSPQRLKSEHGGYYAVTCFCGPAQQAILSRSLNQRLPGARDLQHYAHSLRFLVRVRSPGSLGDAPLLSELFAILCDVCVNVARFSLSRCRFETVFERILDSSESNGSNGVHKDQQQQVAKNDLPSKSPAVGGTLETGYIHCGYEETRT
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low65.4Low193 Ų19399.6 Ų99.695%0.95148%0.48SS*.  0133.80-72.4168.8168.900108.3V3M1-V3 HydrophobicContact CB-CG2 3.97Å; M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2R34.9Very low67.1Low228 Ų22893.8 Ų93.886%0.8645%0.451SS*.  trans-79.692.1166.8-74.5-169.4-177.8176.91.6109.1H4R2-H4 VanDerWaalsContact C-N 3.26Å; R2-H4 PolarHBondContact O-N 3.06Å
3V50.2Low68.8Low85 Ų8586.8 Ų86.852%0.51542%0.418SS..  trans-79.275.7-178.7-172.10000109.5M1 L5M1-V3 HydrophobicContact CB-CG2 3.97Å; M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-L5 VanDerWaalsContact C-N 3.28Å; V3-L5 HydrophobicContact CG1-CD1 4.36Å; V3-L5 HydrophobicContact CG1-CG 4.23Å; V3-L5 PolarHBondContact O-N 3.34Å
4H55.6Low70.3Confident129 Ų12983.7 Ų83.760%0.59740%0.404SS*.  trans-70.885.5172.5-73.3-75.4000110.2R2 N6 K670R2-H4 VanDerWaalsContact C-N 3.26Å; R2-H4 PolarHBondContact O-N 3.06Å; H4-N6 PolarHBondContact O-N 3.38Å; H4-K670 PolarHBondContact O-NZ 2.83Å
5L60.2Low71.6Confident90 Ų9084.7 Ų84.747%0.47140%0.402SS..  trans-64.9117.6168.4-87.9154.6000109.8V3 G7 V10 V676V3-L5 VanDerWaalsContact C-N 3.28Å; V3-L5 HydrophobicContact CG1-CD1 4.36Å; V3-L5 HydrophobicContact CG1-CG 4.23Å; V3-L5 PolarHBondContact O-N 3.34Å; L5-G7 PolarHBondContact O-N 3.41Å; L5-V10 HydrophobicContact CD2-CG2 4.07Å; L5-V676 HydrophobicContact CD2-CB 4.1Å; L5-V676 HydrophobicContact CD2-CG1 4.08Å; L5-V676 HydrophobicContact CD2-CG2 4.05Å
6N71.3Confident72.8Confident57 Ų5780.1 Ų80.131%0.30538%0.38SS..  trans-84.2101.5172.4-803.3000108.6H4 R8 E9 V10 K670H4-N6 PolarHBondContact O-N 3.38Å; N6-R8 PolarHBondContact O-N 3.19Å; N6-R8 VanDerWaalsContact O-N 3.09Å; N6-E9 HydrophobicContact CB-CB 4.13Å; N6-E9 HydrophobicContact CB-CG 3.83Å; N6-E9 VanDerWaalsContact CB-OE1 3.27Å; N6-E9 WeakPolarHBondContact CB-OE1 3.36Å; N6-E9 PolarHBondContact ND2-OE1 3.32Å; N6-E9 WeakPolarHBondContact O-CB 3.42Å; N6-E9 PolarHBondContact O-N 3.07Å; N6-V10 PolarHBondContact O-N 2.95Å; N6-K670 PolarHBondContact ND2-NZ 3.27Å; N6-K670 VanDerWaalsContact ND2-NZ 3.15Å; N6-K670 PolarHBondContact OD1-NZ 2.73Å
7G75.6Confident73.7Confident54 Ų5476.1 Ų76.156%0.55736%0.361SS*.Hα-helixtrans-55.4-28.3-179.700000114.3L5 R11L5-G7 PolarHBondContact O-N 3.41Å; G7-R11 VanDerWaalsContact O-CB 3.27Å; G7-R11 WeakPolarHBondContact O-CB 3.49Å; G7-R11 PolarHBondContact O-N 3.43Å
8R78.8Confident74.5Confident56 Ų5677.4 Ų77.421%0.21137%0.371CS..Hα-helixtrans-64.7-47.2172.7-165.5-172.4-161.9171.514112.5N6 V10 R11 E12 I949 P950 G956N6-R8 PolarHBondContact O-N 3.19Å; N6-R8 VanDerWaalsContact O-N 3.09Å; R8-V10 VanDerWaalsContact C-N 3.34Å; R8-V10 PolarHBondContact O-N 3.17Å; R8-R11 PolarHBondContact O-N 2.76Å; R8-E12 PolarHBondContact O-N 3.31Å; R8-I949 PolarHBondContact NH1-O 3.24Å; R8-P950 PolarHBondContact NH1-O 2.91Å; R8-P950 VanDerWaalsContact NH1-O 3.17Å; R8-G956 PolarHBondContact NH2-O 3.11Å
9E83.7Confident75.2Confident14 Ų1475.4 Ų75.47%0.06536%0.362CS..Hα-helixtrans-59.5-47.2177-71.3173.8-136.400110.4N6 L13 L669 K670 S673N6-E9 HydrophobicContact CB-CB 4.13Å; N6-E9 HydrophobicContact CB-CG 3.83Å; N6-E9 VanDerWaalsContact CB-OE1 3.27Å; N6-E9 WeakPolarHBondContact CB-OE1 3.36Å; N6-E9 PolarHBondContact ND2-OE1 3.32Å; N6-E9 WeakPolarHBondContact O-CB 3.42Å; N6-E9 PolarHBondContact O-N 3.07Å; E9-L13 WeakPolarHBondContact O-CB 3.36Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.02Å; E9-L13 VanDerWaalsContact O-N 3.13Å; E9-L669 HydrophobicContact CB-CD1 4.04Å; E9-L669 HydrophobicContact CG-CD1 4.05Å; E9-L669 WeakPolarHBondContact OE2-CD1 3.36Å; E9-K670 PolarHBondContact OE2-N 2.99Å; E9-S673 WeakPolarHBondContact OE2-CB 3.48Å; E9-S673 PolarHBondContact OE2-OG 3.11Å
10V85.8Confident75.7Confident13 Ų1372.1 Ų72.18%0.07935%0.346CS..Hα-helixtrans-62-50.6179.4-178.50000110.1L5 N6 R8 E12 L13 L14 V676 A677 L680L5-V10 HydrophobicContact CD2-CG2 4.07Å; N6-V10 PolarHBondContact O-N 2.95Å; R8-V10 VanDerWaalsContact C-N 3.34Å; R8-V10 PolarHBondContact O-N 3.17Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.38Å; V10-L13 WeakPolarHBondContact O-CB 3.26Å; V10-L13 PolarHBondContact O-N 3.45Å; V10-L13 VanDerWaalsContact O-N 3.13Å; V10-L14 HydrophobicContact CG1-CD1 4.22Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 3.27Å; V10-V676 HydrophobicContact CG1-CG1 4.45Å; V10-A677 HydrophobicContact CG1-CB 4.3Å; V10-L680 HydrophobicContact CG1-CD1 3.93Å
11R87.8Confident76.2Confident177 Ų17769.6 Ų69.667%0.66833%0.334SS*.Hα-helixtrans-53.2-45.4-178.5-178.4-178.4-65.9177.2-1.7113.5G7 R8 L14 R15G7-R11 VanDerWaalsContact O-CB 3.27Å; G7-R11 WeakPolarHBondContact O-CB 3.49Å; G7-R11 PolarHBondContact O-N 3.43Å; R8-R11 PolarHBondContact O-N 2.76Å; R11-L14 PolarHBondContact O-N 3.41Å; R11-R15 PolarHBondContact O-N 2.85Å
12E85.6Confident78.4Confident29 Ų2968.7 Ų68.714%0.13632%0.32CS..Hα-helixtrans-81.1-23.2-177.1-53.8-62.2161.900112.3R8 V10 R15 K16 L943 Q946R8-E12 PolarHBondContact O-N 3.31Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.38Å; E12-R15 VanDerWaalsContact OE2-CD 3.26Å; E12-R15 WeakPolarHBondContact OE2-CD 3.27Å; E12-R15 IonicContact OE2-CZ 2.76Å; E12-R15 IonicContact OE2-NH1 2.78Å; E12-R15 PolarHBondContact OE2-NH1 3.41Å; E12-K16 WeakPolarHBondContact O-CB 3.45Å; E12-K16 PolarHBondContact O-N 3.02Å; E12-L943 HydrophobicContact CB-CD1 4.41Å; E12-Q946 HydrophobicContact CB-CB 4.35Å; E12-Q946 VanDerWaalsContact CD-CD 3.41Å; E12-Q946 HydrophobicContact CG-CB 3.96Å; E12-Q946 HydrophobicContact CG-CG 4.09Å; E12-Q946 PolarHBondContact OE1-NE2 3.02Å; E12-Q946 VanDerWaalsContact OE2-CD 3.28Å; E12-Q946 PolarHBondContact OE2-NE2 3.49Å; E12-Q946 PolarHBondContact OE2-OE1 2.98Å
13L88.7Confident80.9Confident4 Ų462.3 Ų62.32%0.02130%0.295CS..Hα-helixtrans-67.3-46.4164.7-72.7170.4000111.7E9 V10 R15 K16 D17 M664 L669 A677E9-L13 WeakPolarHBondContact O-CB 3.36Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.39Å; E9-L13 PolarHBondContact O-N 3.02Å; E9-L13 VanDerWaalsContact O-N 3.13Å; V10-L13 WeakPolarHBondContact O-CB 3.26Å; V10-L13 PolarHBondContact O-N 3.45Å; V10-L13 VanDerWaalsContact O-N 3.13Å; L13-R15 PolarHBondContact O-N 2.81Å; L13-K16 HydrophobicContact CD2-CD 4.33Å; L13-K16 WeakPolarHBondContact O-CA 3.4Å; L13-K16 VanDerWaalsContact O-CB 3.32Å; L13-K16 WeakPolarHBondContact O-CB 3.47Å; L13-K16 PolarHBondContact O-N 2.96Å; L13-D17 VanDerWaalsContact O-CG 3.27Å; L13-D17 PolarHBondContact O-N 3.41Å; L13-M664 HydrophobicContact CD2-SD 4.46Å; L13-L669 HydrophobicContact CD1-CD1 4.01Å; L13-L669 HydrophobicContact CD1-CD2 4.15Å; L13-L669 HydrophobicContact CD2-CD2 4.31Å; L13-A677 HydrophobicContact CB-CB 3.43Å; L13-A677 VanDerWaalsContact CB-CB 3.43Å; L13-A677 HydrophobicContact CD1-CB 3.92Å; L13-A677 HydrophobicContact CG-CB 4.35Å
14L90.2Very high82.5Confident43 Ų4361.1 Ų61.123%0.22528%0.284CS..Hα-helixtrans-55.3-43.5173.2-61.6178.1000110.7V10 R11 D17 L18 A677 L680 M681V10-L14 HydrophobicContact CG1-CD1 4.22Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 3.27Å; R11-L14 PolarHBondContact O-N 3.41Å; L14-D17 PolarHBondContact O-N 2.97Å; L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 PolarHBondContact O-N 2.75Å; L14-A677 HydrophobicContact CD2-CB 4.11Å; L14-A677 WeakPolarHBondContact CD2-O 3.45Å; L14-L680 HydrophobicContact CD2-CB 3.9Å; L14-M681 HydrophobicContact CB-SD 4.08Å; L14-M681 HydrophobicContact CD2-CG 3.56Å; L14-M681 HydrophobicContact CD2-SD 3.8Å
15R89.8Confident83.8Confident99 Ų9962.2 Ų62.237%0.37429%0.287SS..Hα-helixtrans-64.3-40176-174.2-179.6166.7-139.1-7112.6R11 E12 L13 L19 Q942 Q946R11-R15 PolarHBondContact O-N 2.85Å; E12-R15 VanDerWaalsContact OE2-CD 3.26Å; E12-R15 WeakPolarHBondContact OE2-CD 3.27Å; E12-R15 IonicContact OE2-CZ 2.76Å; E12-R15 IonicContact OE2-NH1 2.78Å; E12-R15 PolarHBondContact OE2-NH1 3.41Å; L13-R15 PolarHBondContact O-N 2.81Å; R15-L19 HydrophobicContact CG-CD1 4.16Å; R15-L19 WeakPolarHBondContact O-CB 3.37Å; R15-L19 VanDerWaalsContact O-CG 3.24Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 2.92Å; R15-Q942 VanDerWaalsContact NH2-OE1 3.16Å; R15-Q946 VanDerWaalsContact NH1-NE2 3.11Å
16K90.5Very high84.8Confident11 Ų1160.2 Ų60.25%0.04829%0.289CS..Hα-helixtrans-60-50.7172.5176.4-157.47270.10110.8E12 L13 L19 V20 M664 I932 L935 L943E12-K16 WeakPolarHBondContact O-CB 3.45Å; E12-K16 PolarHBondContact O-N 3.02Å; L13-K16 HydrophobicContact CD2-CD 4.33Å; L13-K16 WeakPolarHBondContact O-CA 3.4Å; L13-K16 VanDerWaalsContact O-CB 3.32Å; L13-K16 WeakPolarHBondContact O-CB 3.47Å; L13-K16 PolarHBondContact O-N 2.96Å; K16-L19 PolarHBondContact O-N 2.94Å; K16-V20 WeakPolarHBondContact O-CB 3.28Å; K16-V20 VanDerWaalsContact O-CG2 3.26Å; K16-V20 WeakPolarHBondContact O-CG2 3.43Å; K16-V20 PolarHBondContact O-N 2.72Å; K16-M664 HydrophobicContact CD-CE 4.18Å; K16-I932 HydrophobicContact CD-CD1 3.98Å; K16-I932 HydrophobicContact CG-CD1 4.4Å; K16-L935 HydrophobicContact CG-CD1 4.23Å; K16-L943 HydrophobicContact CB-CD1 4.29Å; K16-L943 HydrophobicContact CB-CD2 4.36Å; K16-L943 HydrophobicContact CD-CD2 3.76Å; K16-L943 HydrophobicContact CG-CD2 3.98Å
17D88.3Confident85.4Confident11 Ų1159.9 Ų59.96%0.05929%0.286CS..Hα-helixtrans-61.5-48.9-179-64.7-31.9000110.8L13 L14 L19 V20 R21 M681L13-D17 VanDerWaalsContact O-CG 3.27Å; L13-D17 PolarHBondContact O-N 3.41Å; L14-D17 PolarHBondContact O-N 2.97Å; D17-L19 PolarHBondContact O-N 3.47Å; D17-V20 PolarHBondContact O-N 2.86Å; D17-R21 WeakPolarHBondContact O-CB 3.45Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.31Å; D17-R21 PolarHBondContact O-N 3.16Å; D17-M681 HydrophobicContact CB-CE 4.42Å; D17-M681 HydrophobicContact CB-CG 3.75Å; D17-M681 HydrophobicContact CB-SD 4.39Å
18L88Confident85.7Confident101 Ų10158.7 Ų58.753%0.52927%0.27SS..Hα-helixtrans-59.9-42.6176.7-172.8150.8000112.5L14 R21 W22 M681L14-L18 VanDerWaalsContact O-CB 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.27Å; L14-L18 PolarHBondContact O-N 2.75Å; L18-R21 PolarHBondContact O-N 3.31Å; L18-W22 VanDerWaalsContact O-CB 3.23Å; L18-W22 WeakPolarHBondContact O-CB 3.28Å; L18-W22 PolarHBondContact O-N 3.03Å; L18-M681 HydrophobicContact CB-CE 4.11Å
19L88Confident86.1Confident38 Ų3861.6 Ų61.620%0.19929%0.289CS..Hα-helixtrans-65.8-38.4175.3-76.9171.1000112.8R15 K16 D17 R23 L935R15-L19 HydrophobicContact CG-CD1 4.16Å; R15-L19 WeakPolarHBondContact O-CB 3.37Å; R15-L19 VanDerWaalsContact O-CG 3.24Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 2.92Å; K16-L19 PolarHBondContact O-N 2.94Å; D17-L19 PolarHBondContact O-N 3.47Å; L19-R23 WeakPolarHBondContact O-CG 3.34Å; L19-R23 PolarHBondContact O-N 3.04Å; L19-L935 HydrophobicContact CB-CD2 4.44Å
20V85.7Confident86.4Confident10 Ų1065.1 Ų65.16%0.06131%0.307CS..Hα-helixtrans-66.1-44.9176.9168.70000110.6K16 D17 R23 Q24 I932 L935K16-V20 WeakPolarHBondContact O-CB 3.28Å; K16-V20 VanDerWaalsContact O-CG2 3.26Å; K16-V20 WeakPolarHBondContact O-CG2 3.43Å; K16-V20 PolarHBondContact O-N 2.72Å; D17-V20 PolarHBondContact O-N 2.86Å; V20-R23 PolarHBondContact O-N 3.33Å; V20-Q24 WeakPolarHBondContact O-CG 3.47Å; V20-Q24 PolarHBondContact O-N 3.01Å; V20-I932 HydrophobicContact CG2-CG2 4.22Å; V20-L935 HydrophobicContact CG2-CD2 4.32Å; V20-L935 HydrophobicContact CG2-CG 4.43Å
21R85.4Confident86.6Confident20 Ų2064.8 Ų64.88%0.07531%0.305CS..Hα-helixtrans-65.5-49.3177.9-68.7166.3179.1-153.4-1.7111.4D17 L18 R23 Q24 S28 E651 M681 E685D17-R21 WeakPolarHBondContact O-CB 3.45Å; D17-R21 VanDerWaalsContact O-CG 3.26Å; D17-R21 WeakPolarHBondContact O-CG 3.31Å; D17-R21 PolarHBondContact O-N 3.16Å; L18-R21 PolarHBondContact O-N 3.31Å; R21-R23 PolarHBondContact O-N 2.74Å; R21-R23 VanDerWaalsContact O-N 3.17Å; R21-Q24 CarbonylContact O-C 3.59Å; R21-Q24 WeakPolarHBondContact O-CA 3.36Å; R21-Q24 PolarHBondContact O-N 2.82Å; R21-S28 PolarHBondContact O-OG 2.91Å; R21-E651 IonicContact CZ-OE2 3.2Å; R21-E651 VanDerWaalsContact CZ-OE2 3.31Å; R21-E651 IonicContact NE-OE1 2.66Å; R21-E651 IonicContact NE-OE2 2.84Å; R21-E651 PolarHBondContact NE-OE2 3.35Å; R21-E651 VanDerWaalsContact NE-OE2 3.15Å; R21-E651 IonicContact NH2-OE2 2.78Å; R21-E651 PolarHBondContact NH2-OE2 3.13Å; R21-M681 PolarHBondContact NH1-O 2.8Å; R21-E685 IonicContact CZ-OE1 2.76Å; R21-E685 IonicContact CZ-OE2 2.97Å; R21-E685 IonicContact NE-OE1 3.82Å; R21-E685 IonicContact NH1-OE1 3.76Å; R21-E685 PolarHBondContact NH1-OE1 3.12Å; R21-E685 IonicContact NH1-OE2 2.81Å; R21-E685 PolarHBondContact NH1-OE2 3.11Å; R21-E685 IonicContact NH2-OE2 3.16Å
22W83.5Confident86.7Confident173 Ų17359.5 Ų59.566%0.65529%0.289SS*.Hα-helixtrans-60-29177.7-169.866.8000113.9L18 K25L18-W22 VanDerWaalsContact O-CB 3.23Å; L18-W22 WeakPolarHBondContact O-CB 3.28Å; L18-W22 PolarHBondContact O-N 3.03Å; W22-K25 VanDerWaalsContact O-CG 3.28Å; W22-K25 WeakPolarHBondContact O-CG 3.24Å
23R86.6Confident87Confident94 Ų9460 Ų6036%0.35530%0.298SS..Hα-helixtrans-77.9-27171-75.4-173.5176.4146.313.7113.9L19 V20 R21 K25 T934 E939L19-R23 WeakPolarHBondContact O-CG 3.34Å; L19-R23 PolarHBondContact O-N 3.04Å; V20-R23 PolarHBondContact O-N 3.33Å; R21-R23 PolarHBondContact O-N 2.74Å; R21-R23 VanDerWaalsContact O-N 3.17Å; R23-K25 PolarHBondContact O-N 3.15Å; R23-K25 VanDerWaalsContact O-N 3.09Å; R23-T934 WeakPolarHBondContact CD-O 3.26Å; R23-T934 PolarHBondContact NH1-O 3.16Å; R23-E939 IonicContact CZ-OE1 3.35Å; R23-E939 IonicContact CZ-OE2 2.69Å; R23-E939 IonicContact NH1-OE1 2.76Å; R23-E939 PolarHBondContact NH1-OE1 2.79Å; R23-E939 IonicContact NH1-OE2 3.99Å; R23-E939 PolarHBondContact NH1-OE2 2.98Å; R23-E939 IonicContact NH2-OE1 2.84Å; R23-E939 PolarHBondContact NH2-OE1 3.25Å; R23-E939 IonicContact NH2-OE2 2.66Å
24Q84.1Confident87.2Confident60 Ų6065.2 Ų65.228%0.2832%0.318SS..SBendtrans-84.149.4171.9-66.1-177.339.500111.1V20 R21 G26 L27 S28V20-Q24 WeakPolarHBondContact O-CG 3.47Å; V20-Q24 PolarHBondContact O-N 3.01Å; R21-Q24 CarbonylContact O-C 3.59Å; R21-Q24 WeakPolarHBondContact O-CA 3.36Å; R21-Q24 PolarHBondContact O-N 2.82Å; Q24-G26 PolarHBondContact O-N 3.43Å; Q24-G26 VanDerWaalsContact O-N 3.12Å; Q24-L27 HydrophobicContact CB-CB 4.07Å; Q24-L27 HydrophobicContact CB-CD2 4.42Å; Q24-L27 WeakPolarHBondContact O-CA 3.22Å; Q24-L27 VanDerWaalsContact O-CB 3.26Å; Q24-L27 WeakPolarHBondContact O-CB 3.46Å; Q24-L27 PolarHBondContact O-N 2.97Å; Q24-L27 VanDerWaalsContact OE1-CD2 3.24Å; Q24-S28 PolarHBondContact O-N 3Å; Q24-S28 VanDerWaalsContact O-N 3.17Å
25K82.3Confident87.3Confident153 Ų15363.2 Ų63.267%0.66531%0.308SS*.Hα-helixtrans-42.3-52.8-170.8-71.1-170.5174.7-171.80114.8W22 R23 L27 S28 L29W22-K25 VanDerWaalsContact O-CG 3.28Å; W22-K25 WeakPolarHBondContact O-CG 3.24Å; R23-K25 PolarHBondContact O-N 3.15Å; R23-K25 VanDerWaalsContact O-N 3.09Å; K25-L27 VanDerWaalsContact C-N 3.26Å; K25-L27 PolarHBondContact O-N 3.1Å; K25-S28 PolarHBondContact O-N 3.08Å; K25-L29 WeakPolarHBondContact O-CB 3.34Å; K25-L29 PolarHBondContact O-N 2.69Å
26G82.1Confident87.3Confident48 Ų4860.4 Ų60.450%0.49530%0.301SS..Hα-helixtrans-62.4-32.9-178.800000113.3Q24 I30Q24-G26 PolarHBondContact O-N 3.43Å; Q24-G26 VanDerWaalsContact O-N 3.12Å; G26-I30 WeakPolarHBondContact O-CD1 3.18Å; G26-I30 WeakPolarHBondContact O-CG1 3.45Å; G26-I30 PolarHBondContact O-N 2.9Å
27L82.9Confident87.3Confident49 Ų4966.3 Ų66.326%0.25733%0.331SS..Hα-helixtrans-73-45.8179.1-164.675.3000111.9Q24 K25 L29 I30 L31 L647Q24-L27 HydrophobicContact CB-CB 4.07Å; Q24-L27 HydrophobicContact CB-CD2 4.42Å; Q24-L27 WeakPolarHBondContact O-CA 3.22Å; Q24-L27 VanDerWaalsContact O-CB 3.26Å; Q24-L27 WeakPolarHBondContact O-CB 3.46Å; Q24-L27 PolarHBondContact O-N 2.97Å; Q24-L27 VanDerWaalsContact OE1-CD2 3.24Å; K25-L27 VanDerWaalsContact C-N 3.26Å; K25-L27 PolarHBondContact O-N 3.1Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 PolarHBondContact O-N 3.5Å; L27-I30 PolarHBondContact O-N 3.44Å; L27-L31 PolarHBondContact O-N 3.26Å; L27-L647 HydrophobicContact CD1-CD1 3.96Å; L27-L647 HydrophobicContact CD1-CD2 3.81Å; L27-L647 HydrophobicContact CD2-CD1 4.05Å; L27-L647 HydrophobicContact CD2-CD2 4.06Å; L27-L647 HydrophobicContact CG-CD1 3.67Å; L27-L647 HydrophobicContact CG-CD2 4.16Å
28S83Confident87.5Confident30 Ų3066.9 Ų66.921%0.2133%0.334CS..Hα-helixtrans-68.4-28.5175.4-65.50000112.6R21 Q24 K25 L32R21-S28 PolarHBondContact O-OG 2.91Å; Q24-S28 PolarHBondContact O-N 3Å; Q24-S28 VanDerWaalsContact O-N 3.17Å; K25-S28 PolarHBondContact O-N 3.08Å; S28-L32 PolarHBondContact O-N 3.24Å
29L87.5Confident87.6Confident116 Ų11662.1 Ų62.161%0.60731%0.309SS*.Hα-helixtrans-68.1-46.9171-175.3148.2000111.2K25 L27 L31 L32 A33K25-L29 WeakPolarHBondContact O-CB 3.34Å; K25-L29 PolarHBondContact O-N 2.69Å; L27-L29 VanDerWaalsContact C-N 3.29Å; L27-L29 PolarHBondContact O-N 3.5Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 2.86Å; L29-L32 PolarHBondContact O-N 3.04Å; L29-A33 HydrophobicContact CD2-CB 4.29Å; L29-A33 WeakPolarHBondContact O-CB 3.06Å; L29-A33 PolarHBondContact O-N 2.85Å
30I89.2Confident87.6Confident88 Ų8863.6 Ų63.645%0.45132%0.316SS..Hα-helixtrans-59.6-42176-68.8162.6000110.8G26 L27 L32 W34 V643G26-I30 WeakPolarHBondContact O-CD1 3.18Å; G26-I30 WeakPolarHBondContact O-CG1 3.45Å; G26-I30 PolarHBondContact O-N 2.9Å; L27-I30 PolarHBondContact O-N 3.44Å; I30-L32 VanDerWaalsContact C-N 3.27Å; I30-L32 PolarHBondContact O-N 3.47Å; I30-W34 WeakPolarHBondContact O-CB 3.48Å; I30-W34 PolarHBondContact O-N 2.89Å; I30-V643 HydrophobicContact CG2-CG1 4.2Å
31L89.9Confident87.7Confident7 Ų768.2 Ų68.24%0.03734%0.34CS..Hα-helixtrans-57.2-36.1178.417960.5000113.9L27 L29 P35 V643 F644 L647 E685 I689L27-L31 PolarHBondContact O-N 3.26Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 2.86Å; L31-P35 WeakPolarHBondContact O-CD 3.46Å; L31-V643 HydrophobicContact CB-CG1 4.48Å; L31-V643 HydrophobicContact CD1-CG1 4.14Å; L31-F644 HydrophobicContact CD1-CB 3.74Å; L31-F644 HydrophobicContact CD1-CD2 4.3Å; L31-L647 HydrophobicContact CB-CD1 4.34Å; L31-L647 HydrophobicContact CD1-CD1 4.48Å; L31-E685 VanDerWaalsContact CD2-CD 3.43Å; L31-E685 HydrophobicContact CD2-CG 4.14Å; L31-I689 HydrophobicContact CD1-CD1 4.04Å; L31-I689 HydrophobicContact CG-CD1 4.31Å
32L90Very high87.8Confident65 Ų6568.2 Ų68.234%0.3434%0.341SS..Hα-helixtrans-92.9-38.5-179.2-63.9177.2000112.8S28 L29 I30 V36 V688 I689S28-L32 PolarHBondContact O-N 3.24Å; L29-L32 PolarHBondContact O-N 3.04Å; I30-L32 VanDerWaalsContact C-N 3.27Å; I30-L32 PolarHBondContact O-N 3.47Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V688 HydrophobicContact CD2-CG1 3.82Å; L32-I689 HydrophobicContact CD2-CG1 4.11Å
33A90.8Very high88Confident39 Ų3963 Ų6332%0.32232%0.322SS..Hα-helixtrans-75.4-33.6-17700000112.9L29 V36 M37L29-A33 HydrophobicContact CD2-CB 4.29Å; L29-A33 WeakPolarHBondContact O-CB 3.06Å; L29-A33 PolarHBondContact O-N 2.85Å; A33-V36 PolarHBondContact O-N 3.32Å; A33-M37 VanDerWaalsContact O-CG 3.31Å; A33-M37 WeakPolarHBondContact O-CG 3.5Å; A33-M37 PolarHBondContact O-N 2.89Å
34W93.6Very high88Confident115 Ų11563.7 Ų63.744%0.43633%0.332SS..Hα-helixtrans-58.8-54.4-177.7-179.4-103.6000114.1I30 V36 M37 V38 L639 V643I30-W34 WeakPolarHBondContact O-CB 3.48Å; I30-W34 PolarHBondContact O-N 2.89Å; W34-V36 VanDerWaalsContact C-N 3.3Å; W34-V36 PolarHBondContact O-N 3.47Å; W34-M37 PolarHBondContact O-N 2.87Å; W34-V38 HydrophobicContact CZ2-CG2 4.37Å; W34-V38 WeakPolarHBondContact O-CG2 3.47Å; W34-V38 PolarHBondContact O-N 3.33Å; W34-L639 PolarHBondContact NE1-O 2.96Å; W34-V643 HydrophobicContact CB-CG2 4.27Å; W34-V643 HydrophobicContact CD2-CG2 4.48Å; W34-V643 HydrophobicContact CG-CG2 3.84Å
35P91.4Very high88Confident1 Ų164.3 Ų64.31%0.00634%0.337CS..Hα-helixtrans-60.7-38.6176.121.7-32.2000112.5L31 M37 V38 F39 I689 I693L31-P35 WeakPolarHBondContact O-CD 3.46Å; P35-M37 PolarHBondContact O-N 3.44Å; P35-V38 PolarHBondContact O-N 2.97Å; P35-F39 WeakPolarHBondContact O-CD2 3.18Å; P35-F39 PolarHBondContact O-N 2.81Å; P35-F39 VanDerWaalsContact O-N 3.09Å; P35-I689 HydrophobicContact CB-CG2 4.04Å; P35-I689 HydrophobicContact CG-CG1 4.28Å; P35-I689 HydrophobicContact CG-CG2 3.86Å; P35-I693 HydrophobicContact CB-CD1 3.98Å; P35-I693 HydrophobicContact CB-CG1 4.17Å
36V90.9Very high88.2Confident40 Ų4058.5 Ų58.524%0.24231%0.31CS..Hα-helixtrans-62.1-44.8177.4176.80000111.2L32 A33 W34 V38 F39 M40 L692L32-V36 WeakPolarHBondContact O-CG2 3.46Å; A33-V36 PolarHBondContact O-N 3.32Å; W34-V36 VanDerWaalsContact C-N 3.3Å; W34-V36 PolarHBondContact O-N 3.47Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 2.86Å; V36-F39 PolarHBondContact O-N 3.36Å; V36-M40 HydrophobicContact CG1-CG 3.99Å; V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.32Å; V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 2.91Å; V36-L692 HydrophobicContact CG2-CB 3.88Å; V36-L692 HydrophobicContact CG2-CD1 4.12Å; V36-L692 HydrophobicContact CG2-CG 4.44Å
37M91.4Very high88.3Confident134 Ų13461.6 Ų61.666%0.6632%0.315SS*.Hα-helixtrans-58.5-41.1176.4-74.5-68.6-62.500112.5A33 W34 P35 L41A33-M37 VanDerWaalsContact O-CG 3.31Å; A33-M37 WeakPolarHBondContact O-CG 3.5Å; A33-M37 PolarHBondContact O-N 2.89Å; W34-M37 PolarHBondContact O-N 2.87Å; P35-M37 PolarHBondContact O-N 3.44Å; M37-L41 PolarHBondContact O-N 2.76Å
38V90.9Very high88.3Confident23 Ų2366.7 Ų66.714%0.13934%0.335CS..Hα-helixtrans-66.8-45.1179.6176.30000111.4W34 P35 V36 L41 A636 L639W34-V38 HydrophobicContact CZ2-CG2 4.37Å; W34-V38 WeakPolarHBondContact O-CG2 3.47Å; W34-V38 PolarHBondContact O-N 3.33Å; P35-V38 PolarHBondContact O-N 2.97Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 2.86Å; V38-L41 WeakPolarHBondContact O-CB 3.37Å; V38-L41 PolarHBondContact O-N 3.23Å; V38-A636 HydrophobicContact CG1-CB 3.76Å; V38-L639 HydrophobicContact CG1-CB 4.38Å
39F91.1Very high88.3Confident1 Ų169.8 Ų69.80%0.00434%0.343CS..Hα-helixtrans-74.8-28.4178-79.4-86.6000113.3P35 V36 L41 L42 Y43 V633 A636 Y637 I693 V696 L697P35-F39 WeakPolarHBondContact O-CD2 3.18Å; P35-F39 PolarHBondContact O-N 2.81Å; P35-F39 VanDerWaalsContact O-N 3.09Å; V36-F39 PolarHBondContact O-N 3.36Å; F39-L41 PolarHBondContact O-N 2.92Å; F39-L42 HydrophobicContact CD1-CD1 4.16Å; F39-L42 HydrophobicContact CE1-CD1 4.31Å; F39-L42 PolarHBondContact O-N 3.44Å; F39-Y43 PolarHBondContact O-N 3.13Å; F39-Y43 VanDerWaalsContact O-N 3.08Å; F39-V633 HydrophobicContact CE1-CG1 4.41Å; F39-A636 HydrophobicContact CD1-CB 4.42Å; F39-A636 HydrophobicContact CE1-CB 3.88Å; F39-A636 HydrophobicContact CE2-CB 4.01Å; F39-A636 HydrophobicContact CZ-CB 3.65Å; F39-Y637 HydrophobicContact CE1-CD2 4.2Å; F39-Y637 HydrophobicContact CE1-CE2 4.06Å; F39-Y637 HydrophobicContact CE2-CG 4.45Å; F39-Y637 HydrophobicContact CZ-CD1 4.24Å; F39-Y637 AromaticContact CZ-CD2 3.55Å; F39-Y637 HydrophobicContact CZ-CD2 3.55Å; F39-Y637 HydrophobicContact CZ-CE1 4.4Å; F39-Y637 AromaticContact CZ-CE2 3.69Å; F39-Y637 HydrophobicContact CZ-CE2 3.69Å; F39-Y637 AromaticContact CZ-CG 3.82Å; F39-Y637 HydrophobicContact CZ-CG 3.82Å; F39-I693 HydrophobicContact CD1-CG2 3.93Å; F39-I693 HydrophobicContact CD2-CB 4.37Å; F39-I693 HydrophobicContact CD2-CD1 4.18Å; F39-I693 HydrophobicContact CD2-CG1 3.8Å; F39-I693 HydrophobicContact CD2-CG2 3.78Å; F39-I693 HydrophobicContact CE1-CG2 3.85Å; F39-I693 HydrophobicContact CE2-CD1 3.89Å; F39-I693 HydrophobicContact CE2-CG1 3.99Å; F39-I693 HydrophobicContact CE2-CG2 3.71Å; F39-I693 HydrophobicContact CG-CG1 4.49Å; F39-I693 HydrophobicContact CG-CG2 3.9Å; F39-I693 HydrophobicContact CZ-CG2 3.75Å; F39-V696 HydrophobicContact CB-CB 4.32Å; F39-V696 HydrophobicContact CB-CG1 3.95Å; F39-L697 HydrophobicContact CD1-CD1 4.47Å; F39-L697 HydrophobicContact CD1-CD2 3.8Å; F39-L697 HydrophobicContact CD1-CG 4.07Å; F39-L697 HydrophobicContact CE1-CD1 4.24Å; F39-L697 HydrophobicContact CE1-CD2 3.98Å; F39-L697 HydrophobicContact CE1-CG 4.3Å
40M88.5Confident87.7Confident69 Ų6967.3 Ų67.334%0.3435%0.346SS..Hα-helixtrans-65.3-27.3171-74.8-64.7-65.700112.4V36 Y43 L44 V696V36-M40 HydrophobicContact CG1-CG 3.99Å; V36-M40 VanDerWaalsContact O-CB 3.28Å; V36-M40 WeakPolarHBondContact O-CB 3.32Å; V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 2.91Å; M40-Y43 HydrophobicContact CE-CD1 3.74Å; M40-Y43 HydrophobicContact CE-CE1 4.2Å; M40-Y43 PolarHBondContact O-N 2.93Å; M40-Y43 HydrophobicContact SD-CD1 4Å; M40-L44 WeakPolarHBondContact O-CG 3.31Å; M40-L44 PolarHBondContact O-N 2.97Å; M40-V696 HydrophobicContact CG-CG1 4.45Å; M40-V696 HydrophobicContact CG-CG2 4.46Å; M40-V696 HydrophobicContact SD-CG1 3.94Å; M40-V696 HydrophobicContact SD-CG2 4.1Å
41L87.7Confident87.4Confident108 Ų10866 Ų6657%0.56534%0.344SS*.Hα-helixtrans-63-46.4170.8-168.479000111.3M37 V38 F39 Y43 L44 I45M37-L41 PolarHBondContact O-N 2.76Å; V38-L41 WeakPolarHBondContact O-CB 3.37Å; V38-L41 PolarHBondContact O-N 3.23Å; F39-L41 PolarHBondContact O-N 2.92Å; L41-Y43 VanDerWaalsContact C-N 3.3Å; L41-Y43 PolarHBondContact O-N 3.05Å; L41-L44 PolarHBondContact O-N 3.25Å; L41-I45 HydrophobicContact CG-CD1 4.33Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 3.4Å
42L86.7Confident87Confident19 Ų1971.2 Ų71.210%0.09937%0.368CS..Hα-helixtrans-61.9-38.4175.9-64.9-178.9000111.8F39 I45 R46 L627 A636 I702F39-L42 HydrophobicContact CD1-CD1 4.16Å; F39-L42 HydrophobicContact CE1-CD1 4.31Å; F39-L42 PolarHBondContact O-N 3.44Å; L42-I45 PolarHBondContact O-N 3.29Å; L42-R46 PolarHBondContact O-N 3.2Å; L42-L627 HydrophobicContact CD1-CD1 4.32Å; L42-L627 HydrophobicContact CD2-CD1 4.03Å; L42-A636 HydrophobicContact CD1-CB 3.73Å; L42-I702 HydrophobicContact CB-CD1 4.25Å
43Y87.2Confident86.6Confident65 Ų6575.6 Ų75.626%0.25539%0.387SS..Hα-helixtrans-63.8-43.2173.7173.8-121000112.7F39 M40 L41 I45 R46 L47 G700F39-Y43 PolarHBondContact O-N 3.13Å; F39-Y43 VanDerWaalsContact O-N 3.08Å; M40-Y43 HydrophobicContact CE-CD1 3.74Å; M40-Y43 HydrophobicContact CE-CE1 4.2Å; M40-Y43 PolarHBondContact O-N 2.93Å; M40-Y43 HydrophobicContact SD-CD1 4Å; L41-Y43 VanDerWaalsContact C-N 3.3Å; L41-Y43 PolarHBondContact O-N 3.05Å; Y43-I45 VanDerWaalsContact C-N 3.3Å; Y43-I45 PolarHBondContact O-N 3.38Å; Y43-R46 WeakPolarHBondContact O-CB 3.45Å; Y43-R46 PolarHBondContact O-N 3.19Å; Y43-L47 HydrophobicContact CD1-CD1 4.43Å; Y43-L47 HydrophobicContact CD2-CG 4.43Å; Y43-L47 HydrophobicContact CE1-CD1 3.89Å; Y43-L47 HydrophobicContact CE2-CD1 4.26Å; Y43-L47 HydrophobicContact CE2-CD2 3.99Å; Y43-L47 HydrophobicContact CE2-CG 4.01Å; Y43-L47 WeakPolarHBondContact O-CG 3.41Å; Y43-L47 PolarHBondContact O-N 3.08Å; Y43-G700 VanDerWaalsContact CD2-CA 3.44Å
44L86.4Confident86.3Confident108 Ų10876.3 Ų76.357%0.56539%0.385SS*.Hα-helixtrans-63-35.3175.4-72.1170.9000112.4M40 L41 L47M40-L44 WeakPolarHBondContact O-CG 3.31Å; M40-L44 PolarHBondContact O-N 2.97Å; L41-L44 PolarHBondContact O-N 3.25Å; L44-L47 HydrophobicContact CD2-CD1 4.47Å; L44-L47 PolarHBondContact O-N 3.43Å
45I85.2Confident86Confident72 Ų7278.3 Ų78.337%0.36940%0.399SS..Hα-helixtrans-69.6-41.5173.8-61.3163000110.3L41 L42 Y43 L47 K48 Y49 F623L41-I45 HydrophobicContact CG-CD1 4.33Å; L41-I45 WeakPolarHBondContact O-CG1 3.36Å; L41-I45 PolarHBondContact O-N 3.4Å; L42-I45 PolarHBondContact O-N 3.29Å; Y43-I45 VanDerWaalsContact C-N 3.3Å; Y43-I45 PolarHBondContact O-N 3.38Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.08Å; I45-K48 WeakPolarHBondContact O-CB 3.4Å; I45-K48 PolarHBondContact O-N 2.9Å; I45-Y49 HydrophobicContact CG2-CD2 4.09Å; I45-Y49 HydrophobicContact CG2-CE2 4.23Å; I45-Y49 WeakPolarHBondContact O-CD2 3.22Å; I45-F623 HydrophobicContact CB-CE2 4.03Å; I45-F623 HydrophobicContact CG2-CD2 4.03Å; I45-F623 HydrophobicContact CG2-CE2 3.74Å
46R85.5Confident85.8Confident31 Ų3180 Ų8012%0.11741%0.413CS..Hα-helixtrans-57.8-39.6174.1177.243155.2-165.3-15.4112.2L42 Y43 K48 Y49 D621 F623 G700 G701L42-R46 PolarHBondContact O-N 3.2Å; Y43-R46 WeakPolarHBondContact O-CB 3.45Å; Y43-R46 PolarHBondContact O-N 3.19Å; R46-K48 PolarHBondContact O-N 3.02Å; R46-K48 VanDerWaalsContact O-N 3.11Å; R46-Y49 WeakPolarHBondContact CD-O 3.4Å; R46-Y49 PolarHBondContact NH1-O 3.18Å; R46-Y49 CarbonylContact O-C 3.56Å; R46-Y49 PolarHBondContact O-N 3.35Å; R46-Y49 VanDerWaalsContact O-O 3.12Å; R46-D621 IonicContact CZ-OD1 3.31Å; R46-D621 IonicContact CZ-OD2 2.82Å; R46-D621 VanDerWaalsContact NH1-CG 3.35Å; R46-D621 IonicContact NH1-OD1 2.63Å; R46-D621 PolarHBondContact NH1-OD1 2.8Å; R46-D621 IonicContact NH1-OD2 3.11Å; R46-D621 PolarHBondContact NH1-OD2 2.73Å; R46-D621 IonicContact NH2-OD1 3.47Å; R46-D621 IonicContact NH2-OD2 3.18Å; R46-D621 PolarHBondContact NH2-OD2 3.12Å; R46-F623 HydrophobicContact CB-CD1 4.15Å; R46-F623 HydrophobicContact CB-CD2 4.23Å; R46-F623 HydrophobicContact CB-CE1 3.86Å; R46-F623 HydrophobicContact CB-CE2 3.95Å; R46-F623 HydrophobicContact CB-CG 4.33Å; R46-F623 HydrophobicContact CB-CZ 3.75Å; R46-F623 HydrophobicContact CG-CD1 4.22Å; R46-F623 HydrophobicContact CG-CE1 4.2Å; R46-G700 WeakPolarHBondContact CG-O 3.47Å; R46-G701 PolarHBondContact NH2-O 2.75Å
47L84.6Confident85.8Confident114 Ų11478.2 Ų78.260%0.59740%0.403SS*.THydrogen-bonded Turntrans-62.1-16.3175.3-69.1176.8000114.4Y43 L44 I45Y43-L47 HydrophobicContact CD1-CD1 4.43Å; Y43-L47 HydrophobicContact CD2-CG 4.43Å; Y43-L47 HydrophobicContact CE1-CD1 3.89Å; Y43-L47 HydrophobicContact CE2-CD1 4.26Å; Y43-L47 HydrophobicContact CE2-CD2 3.99Å; Y43-L47 HydrophobicContact CE2-CG 4.01Å; Y43-L47 WeakPolarHBondContact O-CG 3.41Å; Y43-L47 PolarHBondContact O-N 3.08Å; L44-L47 HydrophobicContact CD2-CD1 4.47Å; L44-L47 PolarHBondContact O-N 3.43Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 3.08Å
48K83.6Confident85.7Confident156 Ų15672.1 Ų72.168%0.67837%0.372SS*.THydrogen-bonded Turntrans-86.1-24.3171.9-168.9-173.4172-1570112.9I45 R46I45-K48 WeakPolarHBondContact O-CB 3.4Å; I45-K48 PolarHBondContact O-N 2.9Å; R46-K48 PolarHBondContact O-N 3.02Å; R46-K48 VanDerWaalsContact O-N 3.11Å
49Y81.9Confident85.7Confident95 Ų9571.2 Ų71.237%0.37337%0.367SS..  trans-127.297.4-168.2-66.7-75.9000111.6I45 R46I45-Y49 HydrophobicContact CG2-CD2 4.09Å; I45-Y49 HydrophobicContact CG2-CE2 4.23Å; I45-Y49 WeakPolarHBondContact O-CD2 3.22Å; R46-Y49 WeakPolarHBondContact CD-O 3.4Å; R46-Y49 PolarHBondContact NH1-O 3.18Å; R46-Y49 CarbonylContact O-C 3.56Å; R46-Y49 PolarHBondContact O-N 3.35Å; R46-Y49 VanDerWaalsContact O-O 3.12Å
50G75.6Confident85.6Confident64 Ų6471.4 Ų71.466%0.6637%0.368SS*.  trans-68.3-179.1174.300000113.8
51S81.7Confident85.6Confident61 Ų6168.3 Ų68.343%0.42735%0.353SS..  trans-127.7137.9175.657.50000109.3N620S51-N620 WeakPolarHBondContact CA-O 3.42Å
52E81.9Confident85.7Confident115 Ų11563.4 Ų63.454%0.53733%0.327SS..EExtended strand (participates in β ladder)trans-116.9130.9-174.2-177.1172.8-143.700110.2L54 L619 N620E52-L54 HydrophobicContact CG-CD2 4.37Å; E52-L54 HydrophobicContact CG-CG 4.4Å; E52-L619 CarbonylContact O-C 3.56Å; E52-L619 WeakPolarHBondContact O-CA 3.49Å; E52-N620 HydrophobicContact CB-CB 4.47Å; E52-N620 PolarHBondContact N-O 3.4Å; E52-N620 PolarHBondContact O-N 3.06Å
53E82.5Confident85.9Confident158 Ų15863.1 Ų63.174%0.73833%0.325SS*.EExtended strand (participates in β ladder)trans-93.1120.7174.9-71-178.4172.300109L619E53-L619 HydrophobicContact CG-CD1 3.48Å; E53-L619 VanDerWaalsContact CG-CD1 3.48Å
54L84.4Confident86Confident53 Ų5360.2 Ų60.228%0.27731%0.314SS..EExtended strand (participates in β ladder)trans-108.9130.6-179.2-68.9166000109.3E52 A617 F618 N620E52-L54 HydrophobicContact CG-CD2 4.37Å; E52-L54 HydrophobicContact CG-CG 4.4Å; L54-A617 CarbonylContact O-C 3.53Å; L54-A617 WeakPolarHBondContact O-CA 3.23Å; L54-A617 WeakPolarHBondContact O-CB 3.42Å; L54-F618 HydrophobicContact CB-CD1 4.14Å; L54-F618 HydrophobicContact CB-CE1 3.86Å; L54-F618 HydrophobicContact CB-CZ 4.31Å; L54-F618 HydrophobicContact CD1-CE1 3.8Å; L54-F618 HydrophobicContact CD1-CE2 4.01Å; L54-F618 HydrophobicContact CD1-CZ 3.4Å; L54-F618 VanDerWaalsContact CD1-CZ 3.4Å; L54-F618 HydrophobicContact CG-CE1 4.49Å; L54-F618 HydrophobicContact CG-CZ 4.47Å; L54-F618 PolarHBondContact N-O 2.87Å; L54-F618 PolarHBondContact O-N 2.81Å; L54-N620 HydrophobicContact CD1-CB 4.07Å
55E87.2Confident85.9Confident157 Ų15755.8 Ų55.873%0.73429%0.292SS*.  trans-70.3166.6178.3-62.8-170.3160.900112C57E55-C57 PolarHBondContact O-N 3.06Å
56A88.1Confident85.9Confident36 Ų3652.5 Ų52.530%0.29828%0.276SS..  trans-67.4127.6176.300000110.4A88 Y615 A617A56-A88 HydrophobicContact CB-CB 4.08Å; A56-A88 VanDerWaalsContact O-CB 3.24Å; A56-A88 WeakPolarHBondContact O-CB 3.38Å; A56-A88 PolarHBondContact O-N 3.29Å; A56-Y615 WeakPolarHBondContact CA-O 3.06Å; A56-A617 HydrophobicContact CB-CB 4.46Å
57C89.3Confident85.5Confident3 Ų354.5 Ų54.52%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-138.1157.2-173.968.30000115.2E55 C85 Q86 P614 Y615E55-C57 PolarHBondContact O-N 3.06Å; C57-C85 HydrophobicContact CB-CB 3.99Å; C57-C85 WeakPolarHBondContact CB-SG 3.2Å; C57-C85 WeakPolarHBondContact SG-CB 3.47Å; C57-C85 CovalentContact SG-SG 2.04Å; C57-C85 PolarHBondContact SG-SG 3.18Å; C57-Q86 CarbonylContact C-O 3.59Å; C57-Q86 WeakPolarHBondContact CA-O 3.28Å; C57-Q86 WeakPolarHBondContact CB-O 3.47Å; C57-P614 CarbonylContact O-C 3.51Å; C57-P614 VanDerWaalsContact O-CA 3.28Å; C57-P614 WeakPolarHBondContact O-CA 2.99Å; C57-P614 WeakPolarHBondContact O-CB 3.47Å; C57-Y615 PolarHBondContact N-O 3.39Å; C57-Y615 PolarHBondContact O-N 3.47Å
58Q90.6Very high85.3Confident6 Ų651.2 Ų51.23%0.02827%0.268CS..EExtended strand (participates in β ladder)trans-111.4167.2171.864.7-169.8-34.100110.6Q86 P87 P90 P614 Y1300Q58-Q86 HydrophobicContact CG-CB 4.14Å; Q58-Q86 PolarHBondContact N-O 3.36Å; Q58-Q86 PolarHBondContact O-N 2.9Å; Q58-P87 PolarHBondContact NE2-O 3.44Å; Q58-P90 PolarHBondContact NE2-O 2.75Å; Q58-P614 HydrophobicContact CB-CB 4.34Å; Q58-Y1300 HydrophobicContact CB-CE2 4.03Å
59Y90.4Very high85.2Confident4 Ų445.7 Ų45.72%0.01625%0.245CC..  trans-122.9144.9-175.5-72.7-80.9000110.9N83 C85 P440 D442 Q612Y59-N83 VanDerWaalsContact CD1-ND2 3.3Å; Y59-N83 WeakPolarHBondContact CD1-ND2 3.17Å; Y59-N83 WeakPolarHBondContact CD1-O 3.32Å; Y59-N83 WeakPolarHBondContact CE1-O 3.02Å; Y59-C85 HydrophobicContact CE1-CB 4.1Å; Y59-P440 HydrophobicContact CE2-CB 3.9Å; Y59-P440 HydrophobicContact CE2-CG 4.04Å; Y59-P440 WeakPolarHBondContact OH-CG 3.35Å; Y59-D442 HydrophobicContact CD1-CB 4.4Å; Y59-D442 HydrophobicContact CE1-CB 3.51Å; Y59-D442 WeakPolarHBondContact CE1-OD2 3.29Å; Y59-D442 PolarHBondContact OH-OD2 3.23Å; Y59-Q612 HydrophobicContact CD2-CB 4.31Å; Y59-Q612 HydrophobicContact CD2-CG 4.05Å; Y59-Q612 HydrophobicContact CG-CB 4.17Å; Y59-Q612 HydrophobicContact CG-CG 4.28Å
60P88.2Confident85.3Confident6 Ų642 Ų424%0.03923%0.232CC..  trans-64.9142-177.926.8-35.2000111.7W97P60-W97 HydrophobicContact CB-CH2 4.27Å; P60-W97 HydrophobicContact CB-CZ2 4.28Å
61T89.9Confident85.7Confident3 Ų339.2 Ų39.22%0.01820%0.202CC..  trans-75.1137.617450.10000111.9S76 E93 S95 K611T61-S76 PolarHBondContact O-OG 3.23Å; T61-E93 WeakPolarHBondContact CG2-O 3.43Å; T61-S95 PolarHBondContact O-OG 3.2Å; T61-S95 PolarHBondContact OG1-N 3.03Å; T61-S95 PolarHBondContact OG1-OG 3.09Å; T61-K611 HydrophobicContact CG2-CB 4.16Å; T61-K611 HydrophobicContact CG2-CD 3.59Å; T61-K611 HydrophobicContact CG2-CG 3.86Å
62R89.5Confident85.9Confident5 Ų537.6 Ų37.62%0.01919%0.19CC..EExtended strand (participates in β ladder)trans-105.5117.7172.2-56.7-167.2176.680.97.8110.7S80 N83 Y609 T610R62-S80 WeakPolarHBondContact CD-OG 3.3Å; R62-S80 WeakPolarHBondContact CG-OG 3.48Å; R62-S80 PolarHBondContact NE-OG 2.81Å; R62-S80 PolarHBondContact NH2-O 2.77Å; R62-N83 PolarHBondContact NH1-OD1 3.18Å; R62-N83 VanDerWaalsContact NH1-OD1 3.14Å; R62-N83 PolarHBondContact NH2-OD1 2.97Å; R62-Y609 CarbonylContact O-C 3.56Å; R62-Y609 WeakPolarHBondContact O-CA 3.39Å; R62-T610 PolarHBondContact N-O 3.43Å; R62-T610 PolarHBondContact O-N 2.79Å
63L89.7Confident86.1Confident13 Ų1332.4 Ų32.47%0.06817%0.167CC..EExtended strand (participates in β ladder)trans-73125168176.359.7000108.8Q69 P72 A73 S76 Q607 Y609L63-Q69 HydrophobicContact CD2-CB 4.46Å; L63-P72 HydrophobicContact CD2-CB 3.69Å; L63-A73 HydrophobicContact CD2-CB 4.44Å; L63-A73 HydrophobicContact CG-CB 4.11Å; L63-S76 PolarHBondContact N-OG 2.92Å; L63-Q607 HydrophobicContact CD1-CB 4.13Å; L63-Y609 HydrophobicContact CB-CD1 4.04Å; L63-Y609 HydrophobicContact CB-CE1 3.88Å; L63-Y609 HydrophobicContact CD1-CD1 4.23Å; L63-Y609 HydrophobicContact CD1-CE1 3.89Å; L63-Y609 HydrophobicContact CD1-CE2 4.29Å; L63-Y609 HydrophobicContact CG-CE1 4.34Å
64L89.2Confident86.1Confident4 Ų427 Ų272%0.02115%0.149CC..  trans-79152174.1-62.4-179.5000110.3T66 V455 Q459 F608 T610 L1341L64-T66 PolarHBondContact O-N 3.29Å; L64-T66 VanDerWaalsContact O-N 3.1Å; L64-V455 HydrophobicContact CD1-CG2 4.46Å; L64-V455 HydrophobicContact CD2-CG1 4.1Å; L64-V455 HydrophobicContact CD2-CG2 3.88Å; L64-Q459 HydrophobicContact CB-CG 4.19Å; L64-Q459 HydrophobicContact CD1-CB 4.17Å; L64-Q459 HydrophobicContact CD1-CG 3.93Å; L64-F608 HydrophobicContact CB-CB 4.29Å; L64-F608 WeakPolarHBondContact CB-O 3.31Å; L64-F608 HydrophobicContact CD1-CB 4.17Å; L64-F608 PolarHBondContact N-O 2.88Å; L64-T610 HydrophobicContact CD1-CG2 3.96Å; L64-T610 HydrophobicContact CD2-CG2 4.12Å; L64-T610 HydrophobicContact CG-CG2 4.15Å; L64-L1341 HydrophobicContact CD1-CD1 3.92Å; L64-L1341 HydrophobicContact CD1-CD2 3.88Å
65P85.6Confident86.1Confident16 Ų1626.9 Ų26.910%0.10415%0.147CC..  trans-65.6112.8177.927.1-34.4000111.1A73 Q456 M460P65-A73 HydrophobicContact CB-CB 4.47Å; P65-Q456 HydrophobicContact CG-CB 4Å; P65-Q456 HydrophobicContact CG-CG 4.35Å; P65-M460 HydrophobicContact CG-CG 4.08Å; P65-M460 HydrophobicContact CG-SD 4.08Å
66T83.8Confident86Confident3 Ų320 Ų202%0.01812%0.116CC..  trans-116.7162.9161.954.10000110.3L64 Q69 V70 L463 F608L64-T66 PolarHBondContact O-N 3.29Å; L64-T66 VanDerWaalsContact O-N 3.1Å; T66-Q69 CarbonylContact O-C 3.59Å; T66-Q69 WeakPolarHBondContact O-CA 3.45Å; T66-Q69 WeakPolarHBondContact O-CB 3.44Å; T66-Q69 PolarHBondContact O-N 3.36Å; T66-Q69 WeakPolarHBondContact OG1-CB 3.45Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.24Å; T66-V70 PolarHBondContact O-N 2.94Å; T66-L463 HydrophobicContact CG2-CD1 3.9Å; T66-F608 HydrophobicContact CG2-CD2 3.41Å; T66-F608 VanDerWaalsContact CG2-CD2 3.41Å; T66-F608 HydrophobicContact CG2-CE2 3.88Å; T66-F608 HydrophobicContact CG2-CG 4.5Å
67K77.5Confident85.7Confident73 Ų7320.5 Ų20.532%0.31711%0.11SC..THydrogen-bonded Turntrans-56.6138172.8-166.5-165.9-169.5-175.70109.7Q69 E293 D604K67-Q69 PolarHBondContact O-N 3.36Å; K67-E293 VanDerWaalsContact CA-OE1 3.25Å; K67-E293 WeakPolarHBondContact CA-OE1 3.34Å; K67-E293 WeakPolarHBondContact CG-OE1 3.49Å; K67-D604 HydrophobicContact CD-CB 4.13Å; K67-D604 WeakPolarHBondContact CD-OD1 3.3Å; K67-D604 WeakPolarHBondContact CD-OD2 3.32Å; K67-D604 IonicContact NZ-OD2 2.83Å; K67-D604 PolarHBondContact NZ-OD2 3.42Å
68N80.9Confident85.3Confident45 Ų4523.2 Ų23.224%0.24112%0.124CC..THydrogen-bonded Turntrans67.96.7-171-39.1-83.4000115.9N110 T114 E293N68-N110 PolarHBondContact O-ND2 3.01Å; N68-T114 HydrophobicContact CB-CG2 4.06Å; N68-E293 PolarHBondContact N-OE1 2.84Å; N68-E293 PolarHBondContact N-OE2 3.12Å
69Q82.4Confident84.9Confident40 Ų4023.2 Ų23.219%0.18713%0.125CC..  trans-132.24-174.9-58.6-66.1-28.400113.3L63 T66 K67 V71 P72 A73 Q607L63-Q69 HydrophobicContact CD2-CB 4.46Å; T66-Q69 CarbonylContact O-C 3.59Å; T66-Q69 WeakPolarHBondContact O-CA 3.45Å; T66-Q69 WeakPolarHBondContact O-CB 3.44Å; T66-Q69 PolarHBondContact O-N 3.36Å; T66-Q69 WeakPolarHBondContact OG1-CB 3.45Å; T66-Q69 VanDerWaalsContact OG1-CG 3.29Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.24Å; K67-Q69 PolarHBondContact O-N 3.36Å; Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.12Å; Q69-P72 WeakPolarHBondContact O-CD 3.22Å; Q69-A73 VanDerWaalsContact O-CB 3.24Å; Q69-A73 WeakPolarHBondContact O-CB 3.22Å; Q69-A73 PolarHBondContact O-N 3.29Å; Q69-Q607 HydrophobicContact CG-CG 4.26Å
70V83.7Confident84.5Confident16 Ų1623.1 Ų23.110%0.09712%0.124CC..Hα-helixtrans-58.7-39.5-176.9175.60000112T66 A73 A74 E293T66-V70 PolarHBondContact O-N 2.94Å; V70-A73 PolarHBondContact O-N 2.83Å; V70-A74 WeakPolarHBondContact O-CB 3.47Å; V70-A74 PolarHBondContact O-N 2.89Å; V70-E293 HydrophobicContact CB-CB 4.09Å; V70-E293 WeakPolarHBondContact CB-OE2 3.43Å; V70-E293 HydrophobicContact CG2-CB 4.03Å; V70-E293 HydrophobicContact CG2-CG 4.47Å; V70-E293 VanDerWaalsContact CG2-OE2 3.32Å; V70-E293 WeakPolarHBondContact CG2-OE2 3.34Å
71V84.1Confident83.9Confident6 Ų626.4 Ų26.44%0.03614%0.141CC..Hα-helixtrans-67.7-55.4179.2178.90000111Q69 A73 A74 F75 I106 V109 N110 V113 L297Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.12Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.45Å; V71-A74 PolarHBondContact O-N 2.86Å; V71-F75 HydrophobicContact CG1-CD2 3.96Å; V71-F75 HydrophobicContact CG1-CE2 3.63Å; V71-F75 WeakPolarHBondContact O-CD2 3.44Å; V71-F75 PolarHBondContact O-N 3.18Å; V71-F75 VanDerWaalsContact O-N 3.16Å; V71-I106 HydrophobicContact CG1-CG2 4.39Å; V71-V109 HydrophobicContact CG1-CG1 4.41Å; V71-N110 HydrophobicContact CB-CB 4.31Å; V71-N110 HydrophobicContact CG1-CB 4.39Å; V71-V113 HydrophobicContact CG2-CB 4.46Å; V71-V113 HydrophobicContact CG2-CG1 4.25Å; V71-V113 HydrophobicContact CG2-CG2 4.43Å; V71-L297 HydrophobicContact CG2-CD2 4.29Å
72P84.7Confident82.9Confident27 Ų2729.4 Ų29.418%0.17515%0.154CC..Hα-helixtrans-53.1-39.9169.6-31.135.6000115.2L63 Q69 F75 S76 N110L63-P72 HydrophobicContact CD2-CB 3.69Å; Q69-P72 WeakPolarHBondContact O-CD 3.22Å; P72-F75 PolarHBondContact O-N 3.46Å; P72-S76 VanDerWaalsContact O-CB 3.26Å; P72-S76 WeakPolarHBondContact O-CB 3.48Å; P72-S76 PolarHBondContact O-N 2.73Å; P72-N110 VanDerWaalsContact CD-CG 3.5Å; P72-N110 WeakPolarHBondContact CD-OD1 3.35Å; P72-N110 HydrophobicContact CG-CB 4.49Å
73A85.6Confident82.6Confident6 Ų629.2 Ų29.25%0.0515%0.154CC..Hα-helixtrans-64.9-41.1178.100000111.8L63 P65 Q69 V70 V71 S76 Y77L63-A73 HydrophobicContact CD2-CB 4.44Å; L63-A73 HydrophobicContact CG-CB 4.11Å; P65-A73 HydrophobicContact CB-CB 4.47Å; Q69-A73 VanDerWaalsContact O-CB 3.24Å; Q69-A73 WeakPolarHBondContact O-CB 3.22Å; Q69-A73 PolarHBondContact O-N 3.29Å; V70-A73 PolarHBondContact O-N 2.83Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.45Å; A73-S76 PolarHBondContact O-N 2.92Å; A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 2.7Å
74A83Confident82Confident44 Ų4436 Ų3636%0.36418%0.179SC..Hα-helixtrans-62.9-43.2175.500000112.2V70 V71 Y77 I78V70-A74 WeakPolarHBondContact O-CB 3.47Å; V70-A74 PolarHBondContact O-N 2.89Å; V71-A74 PolarHBondContact O-N 2.86Å; A74-Y77 PolarHBondContact O-N 2.72Å; A74-I78 WeakPolarHBondContact O-CD1 3.48Å; A74-I78 VanDerWaalsContact O-CG1 3.26Å; A74-I78 WeakPolarHBondContact O-CG1 3.33Å; A74-I78 PolarHBondContact O-N 2.91Å
75F83.9Confident81.7Confident52 Ų5238 Ų3823%0.22819%0.192CC..Hα-helixtrans-69.8-40.5176-71.6-68.3000112.7V71 P72 Y77 I78 C79 I106 L188V71-F75 HydrophobicContact CG1-CD2 3.96Å; V71-F75 HydrophobicContact CG1-CE2 3.63Å; V71-F75 WeakPolarHBondContact O-CD2 3.44Å; V71-F75 PolarHBondContact O-N 3.18Å; V71-F75 VanDerWaalsContact O-N 3.16Å; P72-F75 PolarHBondContact O-N 3.46Å; F75-Y77 VanDerWaalsContact C-N 3.29Å; F75-Y77 PolarHBondContact O-N 2.66Å; F75-I78 PolarHBondContact O-N 2.92Å; F75-C79 PolarHBondContact O-N 2.85Å; F75-I106 HydrophobicContact CB-CD1 4.34Å; F75-I106 HydrophobicContact CD1-CD1 3.69Å; F75-I106 HydrophobicContact CD1-CG1 4.33Å; F75-I106 HydrophobicContact CD2-CB 4.24Å; F75-I106 HydrophobicContact CD2-CD1 3.84Å; F75-I106 HydrophobicContact CD2-CG1 3.82Å; F75-I106 HydrophobicContact CD2-CG2 3.39Å; F75-I106 HydrophobicContact CE1-CD1 3.88Å; F75-I106 HydrophobicContact CE1-CG1 4.13Å; F75-I106 HydrophobicContact CE2-CB 4.21Å; F75-I106 HydrophobicContact CE2-CD1 4.02Å; F75-I106 HydrophobicContact CE2-CG1 3.6Å; F75-I106 HydrophobicContact CE2-CG2 3.69Å; F75-I106 HydrophobicContact CG-CD1 3.68Å; F75-I106 HydrophobicContact CG-CG1 4.2Å; F75-I106 HydrophobicContact CG-CG2 4.19Å; F75-I106 HydrophobicContact CZ-CD1 4.05Å; F75-I106 HydrophobicContact CZ-CG1 3.78Å; F75-L188 HydrophobicContact CD1-CD2 4.33Å; F75-L188 HydrophobicContact CE1-CD2 3.86Å
76S85Confident81.7Confident12 Ų1239.5 Ų39.58%0.08420%0.198CC..Hα-helixtrans-58.9-39.7172.2175.40000111.9T61 L63 P72 A73 S80T61-S76 PolarHBondContact O-OG 3.23Å; L63-S76 PolarHBondContact N-OG 2.92Å; P72-S76 VanDerWaalsContact O-CB 3.26Å; P72-S76 WeakPolarHBondContact O-CB 3.48Å; P72-S76 PolarHBondContact O-N 2.73Å; A73-S76 PolarHBondContact O-N 2.92Å; S76-S80 VanDerWaalsContact O-CB 3.28Å; S76-S80 WeakPolarHBondContact O-CB 3.31Å; S76-S80 PolarHBondContact O-N 3.15Å; S76-S80 PolarHBondContact O-OG 3.1Å
77Y83.6Confident81.8Confident46 Ų4643.6 Ų43.618%0.1823%0.225CC..Hα-helixtrans-64.1-53.7172.4-178.8-102.5000111.4A73 A74 F75 C79 S80 I81 M444 H451A73-Y77 WeakPolarHBondContact O-CB 3.44Å; A73-Y77 PolarHBondContact O-N 2.7Å; A74-Y77 PolarHBondContact O-N 2.72Å; F75-Y77 VanDerWaalsContact C-N 3.29Å; F75-Y77 PolarHBondContact O-N 2.66Å; Y77-C79 PolarHBondContact O-N 3.47Å; Y77-S80 CarbonylContact O-C 2.81Å; Y77-S80 PolarHBondContact O-N 3.42Å; Y77-S80 PolarHBondContact O-OG 2.77Å; Y77-I81 HydrophobicContact CD1-CG1 4.41Å; Y77-I81 HydrophobicContact CE1-CD1 4.26Å; Y77-I81 HydrophobicContact CE1-CG1 4.16Å; Y77-I81 WeakPolarHBondContact O-CG1 3.2Å; Y77-I81 PolarHBondContact O-N 2.81Å; Y77-I81 VanDerWaalsContact O-N 3.14Å; Y77-M444 HydrophobicContact CE2-CE 3.87Å; Y77-H451 HydrophobicContact CE2-CB 4.43Å; Y77-H451 WeakPolarHBondContact CE2-O 3.45Å; Y77-H451 PolarHBondContact OH-O 3.43Å
78I80.4Confident82.2Confident60 Ų6040.5 Ų40.531%0.30821%0.212SC..Hα-helixtrans-54.8-49.9-178.6-71.4163.5000111.9A74 F75 S80 I81 F193A74-I78 WeakPolarHBondContact O-CD1 3.48Å; A74-I78 VanDerWaalsContact O-CG1 3.26Å; A74-I78 WeakPolarHBondContact O-CG1 3.33Å; A74-I78 PolarHBondContact O-N 2.91Å; F75-I78 PolarHBondContact O-N 2.92Å; I78-S80 PolarHBondContact O-N 2.7Å; I78-I81 PolarHBondContact O-N 3.27Å; I78-F193 HydrophobicContact CG2-CE1 4.29Å; I78-F193 HydrophobicContact CG2-CZ 3.88Å
79C81.4Confident82.3Confident7 Ų744.9 Ų44.95%0.04723%0.231CC..THydrogen-bonded Turntrans-72.7-7.4-179.5-60.60000114.1F75 Y77 W97 C189F75-C79 PolarHBondContact O-N 2.85Å; Y77-C79 PolarHBondContact O-N 3.47Å; C79-W97 HydrophobicContact CB-CD2 3.95Å; C79-W97 HydrophobicContact CB-CE3 4.18Å; C79-W97 HydrophobicContact CB-CH2 3.85Å; C79-W97 HydrophobicContact CB-CZ2 3.59Å; C79-W97 HydrophobicContact CB-CZ3 4.13Å; C79-W97 WeakPolarHBondContact O-CH2 3.49Å; C79-C189 WeakPolarHBondContact CA-SG 3.42Å; C79-C189 HydrophobicContact CB-CB 3.68Å; C79-C189 WeakPolarHBondContact CB-SG 3.34Å; C79-C189 VanDerWaalsContact SG-CA 3.53Å; C79-C189 WeakPolarHBondContact SG-CB 3.32Å; C79-C189 CovalentContact SG-SG 2.04Å; C79-C189 PolarHBondContact SG-SG 3.16Å
80S81.6Confident82.6Confident1 Ų147.8 Ų47.81%0.00725%0.253CS..THydrogen-bonded Turntrans-112.97176.867.10000114.2R62 S76 Y77 I78 E82 N83R62-S80 WeakPolarHBondContact CD-OG 3.3Å; R62-S80 WeakPolarHBondContact CG-OG 3.48Å; R62-S80 PolarHBondContact NE-OG 2.81Å; R62-S80 PolarHBondContact NH2-O 2.77Å; S76-S80 VanDerWaalsContact O-CB 3.28Å; S76-S80 WeakPolarHBondContact O-CB 3.31Å; S76-S80 PolarHBondContact O-N 3.15Å; S76-S80 PolarHBondContact O-OG 3.1Å; Y77-S80 CarbonylContact O-C 2.81Å; Y77-S80 PolarHBondContact O-N 3.42Å; Y77-S80 PolarHBondContact O-OG 2.77Å; I78-S80 PolarHBondContact O-N 2.7Å; S80-E82 PolarHBondContact O-N 2.84Å; S80-N83 PolarHBondContact O-N 2.99Å
81I75.8Confident82.6Confident75 Ų7548.9 Ų48.939%0.38526%0.256SS..THydrogen-bonded Turntrans-54.4-38.8-178.8-74.8174.4000112.4Y77 I78 N83 M444Y77-I81 HydrophobicContact CD1-CG1 4.41Å; Y77-I81 HydrophobicContact CE1-CD1 4.26Å; Y77-I81 HydrophobicContact CE1-CG1 4.16Å; Y77-I81 WeakPolarHBondContact O-CG1 3.2Å; Y77-I81 PolarHBondContact O-N 2.81Å; Y77-I81 VanDerWaalsContact O-N 3.14Å; I78-I81 PolarHBondContact O-N 3.27Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 3.23Å; I81-M444 WeakPolarHBondContact O-CB 3.07Å; I81-M444 VanDerWaalsContact O-CG 3.28Å; I81-M444 WeakPolarHBondContact O-CG 3.38Å
82E69.6Low82.6Confident66 Ų6651.8 Ų51.831%0.30827%0.27SS..THydrogen-bonded Turntrans-72.7-18.3178.6-71.7160.8-101.100114.2S80 R84 H191 P194S80-E82 PolarHBondContact O-N 2.84Å; E82-R84 HydrophobicContact CB-CB 4.41Å; E82-R84 PolarHBondContact O-N 3.12Å; E82-H191 IonicContact OE1-CE1 3.36Å; E82-P194 HydrophobicContact CG-CG 3.94Å; E82-P194 WeakPolarHBondContact OE1-CD 3.34Å; E82-P194 WeakPolarHBondContact OE2-CD 3.21Å
83N83.2Confident82.4Confident2 Ų251.9 Ų51.91%0.01127%0.267CS..  trans5040.6-169.9-160.261.5000113Y59 R62 S80 I81 C85 D442 L448 Q612Y59-N83 VanDerWaalsContact CD1-ND2 3.3Å; Y59-N83 WeakPolarHBondContact CD1-ND2 3.17Å; Y59-N83 WeakPolarHBondContact CD1-O 3.32Å; Y59-N83 WeakPolarHBondContact CE1-O 3.02Å; R62-N83 PolarHBondContact NH1-OD1 3.18Å; R62-N83 VanDerWaalsContact NH1-OD1 3.14Å; R62-N83 PolarHBondContact NH2-OD1 2.97Å; S80-N83 PolarHBondContact O-N 2.99Å; I81-N83 VanDerWaalsContact C-N 3.29Å; I81-N83 PolarHBondContact O-N 3.23Å; N83-C85 PolarHBondContact O-N 2.9Å; N83-D442 VanDerWaalsContact ND2-CB 3.34Å; N83-D442 WeakPolarHBondContact ND2-CB 3.33Å; N83-D442 PolarHBondContact ND2-O 3.4Å; N83-D442 VanDerWaalsContact ND2-O 3.14Å; N83-L448 HydrophobicContact CB-CD1 3.96Å; N83-L448 VanDerWaalsContact CG-CD1 3.47Å; N83-L448 VanDerWaalsContact ND2-CD1 3.32Å; N83-L448 WeakPolarHBondContact ND2-CD1 3.38Å; N83-Q612 PolarHBondContact ND2-OE1 3.38Å
84R77.1Confident82.3Confident156 Ų15653 Ų5359%0.58927%0.271SS*.  trans-63.2126.4-169.3-175.6174.6175.2-173-2112.8E82 Q86E82-R84 HydrophobicContact CB-CB 4.41Å; E82-R84 PolarHBondContact O-N 3.12Å; R84-Q86 PolarHBondContact O-N 2.96Å
85C83.7Confident82.1Confident44 Ų4451.7 Ų51.730%0.29726%0.259SS..  trans-57.2108.7167.2171.30000110.3C57 Y59 N83C57-C85 HydrophobicContact CB-CB 3.99Å; C57-C85 WeakPolarHBondContact CB-SG 3.2Å; C57-C85 WeakPolarHBondContact SG-CB 3.47Å; C57-C85 CovalentContact SG-SG 2.04Å; C57-C85 PolarHBondContact SG-SG 3.18Å; Y59-C85 HydrophobicContact CE1-CB 4.1Å; N83-C85 PolarHBondContact O-N 2.9Å
86Q84.8Confident81.3Confident48 Ų4854.7 Ų54.722%0.22427%0.273CS..EExtended strand (participates in β ladder)trans-102.9147.1179.4-70.3171.7-38.700110.7C57 Q58 R84 A88C57-Q86 CarbonylContact C-O 3.59Å; C57-Q86 WeakPolarHBondContact CA-O 3.28Å; C57-Q86 WeakPolarHBondContact CB-O 3.47Å; Q58-Q86 HydrophobicContact CG-CB 4.14Å; Q58-Q86 PolarHBondContact N-O 3.36Å; Q58-Q86 PolarHBondContact O-N 2.9Å; R84-Q86 PolarHBondContact O-N 2.96Å; Q86-A88 PolarHBondContact O-N 3.18Å
87P86Confident80.8Confident90 Ų9056 Ų5658%0.58428%0.276SS*.EExtended strand (participates in β ladder)trans-50.2135.4179.2-27.135000113.1Q58 H89Q58-P87 PolarHBondContact NE2-O 3.44Å; P87-H89 PolarHBondContact O-N 3.23Å
88A85.6Confident80Confident7 Ų761.5 Ų61.56%0.05830%0.301CS..SBendtrans-66.8-7-174.100000115.4A56 Q86 Y1300 L1304A56-A88 HydrophobicContact CB-CB 4.08Å; A56-A88 VanDerWaalsContact O-CB 3.24Å; A56-A88 WeakPolarHBondContact O-CB 3.38Å; A56-A88 PolarHBondContact O-N 3.29Å; Q86-A88 PolarHBondContact O-N 3.18Å; A88-Y1300 VanDerWaalsContact CA-OH 3.27Å; A88-Y1300 WeakPolarHBondContact CA-OH 3.28Å; A88-Y1300 WeakPolarHBondContact CB-OH 3.5Å; A88-Y1300 PolarHBondContact O-OH 3.06Å; A88-L1304 HydrophobicContact CB-CD1 4.27Å
89H84Confident79.5Confident137 Ų13766.1 Ų66.163%0.63432%0.322SS*.  trans-135.6135.6175.7-64.3-35.8000110.1P87P87-H89 PolarHBondContact O-N 3.23Å
90P87.2Confident79.2Confident101 Ų10166.1 Ų66.166%0.65632%0.322SS*.SBendcis-68.3159.4-0.331.8-37.2000113Q58Q58-P90 PolarHBondContact NE2-O 2.75Å
91Y84.2Confident78.9Confident39 Ų3966.6 Ų66.615%0.15333%0.325CS..  trans-71.5126.9171.4169-115.1000110.3E93 S1296 Q1297 Y1300 W1328Y91-E93 HydrophobicContact CE1-CB 3.97Å; Y91-E93 WeakPolarHBondContact OH-CA 3.45Å; Y91-S1296 WeakPolarHBondContact CE1-OG 3.46Å; Y91-S1296 VanDerWaalsContact OH-CB 3.23Å; Y91-S1296 WeakPolarHBondContact OH-CB 3.25Å; Y91-S1296 PolarHBondContact OH-OG 3.3Å; Y91-Q1297 HydrophobicContact CD1-CB 3.66Å; Y91-Q1297 HydrophobicContact CD1-CG 3.75Å; Y91-Q1297 HydrophobicContact CE1-CB 3.75Å; Y91-Q1297 HydrophobicContact CE1-CG 4.33Å; Y91-Q1297 HydrophobicContact CG-CB 4.48Å; Y91-Q1297 HydrophobicContact CG-CG 4.18Å; Y91-Y1300 AromaticContact CD2-CD1 3.63Å; Y91-Y1300 HydrophobicContact CD2-CD1 3.63Å; Y91-Y1300 AromaticContact CD2-CD2 3.41Å; Y91-Y1300 HydrophobicContact CD2-CD2 3.41Å; Y91-Y1300 VanDerWaalsContact CD2-CD2 3.41Å; Y91-Y1300 AromaticContact CD2-CE1 3.93Å; Y91-Y1300 HydrophobicContact CD2-CE1 3.93Å; Y91-Y1300 AromaticContact CD2-CE2 3.72Å; Y91-Y1300 HydrophobicContact CD2-CE2 3.72Å; Y91-Y1300 AromaticContact CD2-CG 3.36Å; Y91-Y1300 HydrophobicContact CD2-CG 3.36Å; Y91-Y1300 AromaticContact CD2-CZ 3.98Å; Y91-Y1300 HydrophobicContact CE2-CD1 4.26Å; Y91-Y1300 AromaticContact CE2-CD2 3.42Å; Y91-Y1300 HydrophobicContact CE2-CD2 3.42Å; Y91-Y1300 VanDerWaalsContact CE2-CD2 3.42Å; Y91-Y1300 HydrophobicContact CE2-CE2 4.08Å; Y91-Y1300 AromaticContact CE2-CG 3.53Å; Y91-Y1300 HydrophobicContact CE2-CG 3.53Å; Y91-Y1300 HydrophobicContact CG-CD1 4.2Å; Y91-Y1300 HydrophobicContact CG-CG 4.27Å; Y91-W1328 HydrophobicContact CE2-CH2 4.01Å
92E83.6Confident79Confident68 Ų6864.9 Ų64.932%0.31832%0.316SS..  trans-108.3120.3168.1-67.1-172-163.100109.3K611E92-K611 PolarHBondContact O-NZ 2.85Å
93E81.1Confident79.5Confident28 Ų2864.6 Ų64.613%0.13132%0.315CS..SBendtrans-68.7-50.8172-174.6177.5-159.100110.3T61 Y91 K611 S1296 N1321T61-E93 WeakPolarHBondContact CG2-O 3.43Å; Y91-E93 HydrophobicContact CE1-CB 3.97Å; Y91-E93 WeakPolarHBondContact OH-CA 3.45Å; E93-K611 PolarHBondContact O-NZ 3.03Å; E93-S1296 WeakPolarHBondContact OE1-CB 3.22Å; E93-S1296 PolarHBondContact OE1-OG 2.78Å; E93-N1321 PolarHBondContact OE2-ND2 3.17Å
94Y83.6Confident79.2Confident31 Ų3164.8 Ų64.812%0.12232%0.316CS..SBendtrans-119.1138.5174.3-52.2-72.9000109.4H96 Y609 T1326Y94-H96 PolarHBondContact O-CD2 3.07Å; Y94-H96 VanDerWaalsContact O-CD2 3.3Å; Y94-H96 PolarHBondContact O-N 3.37Å; Y94-Y609 AromaticContact CD1-CD1 3.78Å; Y94-Y609 HydrophobicContact CD1-CD1 3.78Å; Y94-Y609 HydrophobicContact CD1-CD2 4.05Å; Y94-Y609 AromaticContact CD1-CE1 3.63Å; Y94-Y609 HydrophobicContact CD1-CE1 3.63Å; Y94-Y609 AromaticContact CD1-CE2 3.91Å; Y94-Y609 HydrophobicContact CD1-CE2 3.91Å; Y94-Y609 AromaticContact CD1-CG 3.98Å; Y94-Y609 HydrophobicContact CD1-CG 3.98Å; Y94-Y609 AromaticContact CD1-CZ 3.7Å; Y94-Y609 HydrophobicContact CE1-CD1 4.09Å; Y94-Y609 AromaticContact CE1-CD2 3.5Å; Y94-Y609 HydrophobicContact CE1-CD2 3.5Å; Y94-Y609 HydrophobicContact CE1-CE1 4.09Å; Y94-Y609 AromaticContact CE1-CE2 3.49Å; Y94-Y609 HydrophobicContact CE1-CE2 3.49Å; Y94-Y609 VanDerWaalsContact CE1-CE2 3.49Å; Y94-Y609 AromaticContact CE1-CG 3.8Å; Y94-Y609 HydrophobicContact CE1-CG 3.8Å; Y94-Y609 AromaticContact CE1-CZ 3.79Å; Y94-T1326 HydrophobicContact CE1-CG2 3.63Å
95S77.8Confident79.3Confident16 Ų1659.6 Ų59.611%0.11230%0.302CS..  trans-66103.5176.656.80000110.2T61 W97T61-S95 PolarHBondContact O-OG 3.2Å; T61-S95 PolarHBondContact OG1-N 3.03Å; T61-S95 PolarHBondContact OG1-OG 3.09Å; S95-W97 PolarHBondContact O-N 2.66Å
96H68.8Low79.2Confident114 Ų11458.5 Ų58.553%0.52829%0.293SS..  trans-9695.5-176.6-73.7-55.8000110.9Y94 K98Y94-H96 PolarHBondContact O-CD2 3.07Å; Y94-H96 VanDerWaalsContact O-CD2 3.3Å; Y94-H96 PolarHBondContact O-N 3.37Å; H96-K98 HydrophobicContact CB-CG 4.36Å; H96-K98 PolarHBondContact O-N 2.89Å
97W74Confident78.9Confident40 Ų4058.7 Ų58.715%0.15230%0.295CS..  trans-69.939.6-179.8-48.2107.2000114.4P60 C79 S95 E99 A100 C189 H191P60-W97 HydrophobicContact CB-CH2 4.27Å; P60-W97 HydrophobicContact CB-CZ2 4.28Å; C79-W97 HydrophobicContact CB-CD2 3.95Å; C79-W97 HydrophobicContact CB-CE3 4.18Å; C79-W97 HydrophobicContact CB-CH2 3.85Å; C79-W97 HydrophobicContact CB-CZ2 3.59Å; C79-W97 HydrophobicContact CB-CZ3 4.13Å; C79-W97 WeakPolarHBondContact O-CH2 3.49Å; S95-W97 PolarHBondContact O-N 2.66Å; W97-E99 PolarHBondContact O-N 3.19Å; W97-A100 HydrophobicContact CB-CB 4.21Å; W97-A100 WeakPolarHBondContact O-CB 3.25Å; W97-A100 PolarHBondContact O-N 3.02Å; W97-C189 HydrophobicContact CE3-CB 4.48Å; W97-H191 AromaticContact CZ3-CD2 3.9Å; W97-H191 AromaticContact CZ3-NE2 3.64Å
98K66.9Low78.8Confident161 Ų16155.2 Ų55.270%0.727%0.272SS*.THydrogen-bonded Turntrans-67.6-18.1-178-67.9-179.3179.6-178.70113.7H96 A100H96-K98 HydrophobicContact CB-CG 4.36Å; H96-K98 PolarHBondContact O-N 2.89Å; K98-A100 VanDerWaalsContact C-N 3.26Å
99E69.8Low78.7Confident158 Ų15856.9 Ų56.974%0.73828%0.282SS*.THydrogen-bonded Turntrans-77.7-11.3170.7-60.3-165.415800113W97 P101W97-E99 PolarHBondContact O-N 3.19Å; E99-P101 VanDerWaalsContact O-CD 3.29Å; E99-P101 WeakPolarHBondContact O-CD 3.25Å
100A75Confident78.7Confident6 Ų651 Ų515%0.0526%0.255CS..  trans-77.3116.9177.200000111.1W97 K98 L102 H103 L188W97-A100 HydrophobicContact CB-CB 4.21Å; W97-A100 WeakPolarHBondContact O-CB 3.25Å; W97-A100 PolarHBondContact O-N 3.02Å; K98-A100 VanDerWaalsContact C-N 3.26Å; A100-L102 PolarHBondContact O-N 3.48Å; A100-L102 VanDerWaalsContact O-N 3.08Å; A100-H103 PolarHBondContact O-N 2.89Å; A100-H103 VanDerWaalsContact O-N 3.15Å; A100-L188 WeakPolarHBondContact CB-O 3.35Å
101P74.2Confident78.5Confident11 Ų1146.2 Ų46.27%0.07122%0.224CC..THydrogen-bonded Turntrans-48.8-36.5175.6-31.538.1000114.3E99 H103 L157 V186 L187E99-P101 VanDerWaalsContact O-CD 3.29Å; E99-P101 WeakPolarHBondContact O-CD 3.25Å; P101-H103 PolarHBondContact O-N 3.04Å; P101-L157 HydrophobicContact CB-CD2 3.49Å; P101-L157 VanDerWaalsContact CB-CD2 3.49Å; P101-L157 WeakPolarHBondContact O-CD1 3.47Å; P101-L157 WeakPolarHBondContact O-CD2 3.3Å; P101-V186 WeakPolarHBondContact CD-O 3.29Å; P101-L187 WeakPolarHBondContact CD-O 3.29Å; P101-L187 HydrophobicContact CG-CD2 4.25Å
102L78.9Confident78.5Confident39 Ų3946.1 Ų46.120%0.20423%0.225CC..THydrogen-bonded Turntrans-85.30.4-174.4-67.8168.7000115.1A100 S104 V105 I106 L187 L188A100-L102 PolarHBondContact O-N 3.48Å; A100-L102 VanDerWaalsContact O-N 3.08Å; L102-S104 PolarHBondContact O-N 2.84Å; L102-V105 HydrophobicContact CD2-CB 4.38Å; L102-V105 HydrophobicContact CD2-CG2 4.04Å; L102-V105 WeakPolarHBondContact O-CB 3.48Å; L102-V105 PolarHBondContact O-N 2.9Å; L102-V105 VanDerWaalsContact O-N 3.16Å; L102-I106 HydrophobicContact CB-CD1 4.41Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.01Å; L102-I106 PolarHBondContact O-N 3.4Å; L102-L187 WeakPolarHBondContact CB-O 3.18Å; L102-L187 HydrophobicContact CD1-CB 3.83Å; L102-L187 HydrophobicContact CG-CB 4.32Å; L102-L187 WeakPolarHBondContact CG-O 3.48Å; L102-L187 PolarHBondContact N-O 3.12Å; L102-L188 HydrophobicContact CD1-CD2 3.64Å; L102-L188 HydrophobicContact CD1-CG 4.15Å
103H79.3Confident78.5Confident61 Ų6142.9 Ų42.928%0.28221%0.209SC..Hα-helixtrans-54.8-48.3-178-170.3-52.7000112.7A100 P101 V105 I106 D107A100-H103 PolarHBondContact O-N 2.89Å; A100-H103 VanDerWaalsContact O-N 3.15Å; P101-H103 PolarHBondContact O-N 3.04Å; H103-V105 VanDerWaalsContact C-N 3.28Å; H103-V105 PolarHBondContact O-N 3.41Å; H103-I106 WeakPolarHBondContact O-CB 3.43Å; H103-I106 PolarHBondContact O-N 2.91Å; H103-D107 IonicContact CE1-OD1 3.48Å; H103-D107 IonicContact CE1-OD2 3.43Å; H103-D107 PolarHBondContact CE1-OD2 3.24Å; H103-D107 IonicContact ND1-OD1 3.26Å; H103-D107 IonicContact ND1-OD2 3.25Å; H103-D107 PolarHBondContact ND1-OD2 2.83Å; H103-D107 PolarHBondContact O-N 3.05Å; H103-D107 VanDerWaalsContact O-N 3.08Å
104S77.5Confident78.5Confident5 Ų542.4 Ų42.44%0.03521%0.208CC..Hα-helixtrans-65.7-31.1-17857.40000113L102 V108 N150 E153 L157L102-S104 PolarHBondContact O-N 2.84Å; S104-V108 WeakPolarHBondContact O-CG2 3.38Å; S104-V108 PolarHBondContact O-N 2.94Å; S104-N150 PolarHBondContact O-ND2 3.24Å; S104-E153 VanDerWaalsContact CB-OE2 3.3Å; S104-E153 WeakPolarHBondContact CB-OE2 3.33Å; S104-L157 WeakPolarHBondContact OG-CD1 3.14Å
105V80.4Confident78.5Confident47 Ų4742.2 Ų42.229%0.28521%0.209SC..Hα-helixtrans-67.7-42.4170.9-178.30000110.9L102 H103 V108 V109 I154L102-V105 HydrophobicContact CD2-CB 4.38Å; L102-V105 HydrophobicContact CD2-CG2 4.04Å; L102-V105 WeakPolarHBondContact O-CB 3.48Å; L102-V105 PolarHBondContact O-N 2.9Å; L102-V105 VanDerWaalsContact O-N 3.16Å; H103-V105 VanDerWaalsContact C-N 3.28Å; H103-V105 PolarHBondContact O-N 3.41Å; V105-V108 PolarHBondContact O-N 3.1Å; V105-V109 HydrophobicContact CG1-CG2 4.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 2.87Å; V105-I154 HydrophobicContact CG2-CD1 4.29Å; V105-I154 HydrophobicContact CG2-CG1 3.86Å; V105-I154 HydrophobicContact CG2-CG2 4.41Å
106I80.8Confident78.7Confident22 Ų2245.3 Ų45.311%0.11322%0.222CC..Hα-helixtrans-62.7-44.1-179-68.9164.1000111.1V71 F75 L102 H103 V108 V109 N110V71-I106 HydrophobicContact CG1-CG2 4.39Å; F75-I106 HydrophobicContact CB-CD1 4.34Å; F75-I106 HydrophobicContact CD1-CD1 3.69Å; F75-I106 HydrophobicContact CD1-CG1 4.33Å; F75-I106 HydrophobicContact CD2-CB 4.24Å; F75-I106 HydrophobicContact CD2-CD1 3.84Å; F75-I106 HydrophobicContact CD2-CG1 3.82Å; F75-I106 HydrophobicContact CD2-CG2 3.39Å; F75-I106 HydrophobicContact CE1-CD1 3.88Å; F75-I106 HydrophobicContact CE1-CG1 4.13Å; F75-I106 HydrophobicContact CE2-CB 4.21Å; F75-I106 HydrophobicContact CE2-CD1 4.02Å; F75-I106 HydrophobicContact CE2-CG1 3.6Å; F75-I106 HydrophobicContact CE2-CG2 3.69Å; F75-I106 HydrophobicContact CG-CD1 3.68Å; F75-I106 HydrophobicContact CG-CG1 4.2Å; F75-I106 HydrophobicContact CG-CG2 4.19Å; F75-I106 HydrophobicContact CZ-CD1 4.05Å; F75-I106 HydrophobicContact CZ-CG1 3.78Å; L102-I106 HydrophobicContact CB-CD1 4.41Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.01Å; L102-I106 PolarHBondContact O-N 3.4Å; H103-I106 WeakPolarHBondContact O-CB 3.43Å; H103-I106 PolarHBondContact O-N 2.91Å; I106-V108 VanDerWaalsContact C-N 3.35Å; I106-V108 PolarHBondContact O-N 3.07Å; I106-V109 PolarHBondContact O-N 3.22Å; I106-N110 WeakPolarHBondContact O-CB 3.5Å; I106-N110 PolarHBondContact O-N 3.35Å
107D79.4Confident79.3Confident52 Ų5248.3 Ų48.328%0.27823%0.229SC..Hα-helixtrans-61-43.3177.1-64.7-42.6000111.9H103 N110 A111 I146 N150H103-D107 IonicContact CE1-OD1 3.48Å; H103-D107 IonicContact CE1-OD2 3.43Å; H103-D107 PolarHBondContact CE1-OD2 3.24Å; H103-D107 IonicContact ND1-OD1 3.26Å; H103-D107 IonicContact ND1-OD2 3.25Å; H103-D107 PolarHBondContact ND1-OD2 2.83Å; H103-D107 PolarHBondContact O-N 3.05Å; H103-D107 VanDerWaalsContact O-N 3.08Å; D107-N110 PolarHBondContact O-N 3Å; D107-A111 PolarHBondContact O-N 3.15Å; D107-I146 HydrophobicContact CB-CG2 4.38Å; D107-N150 WeakPolarHBondContact CB-ND2 3.48Å; D107-N150 PolarHBondContact OD2-ND2 3.11Å
108V82Confident79.7Confident17 Ų1746.5 Ų46.510%0.10322%0.222CC..Hα-helixtrans-66.1-43.7177.6170.50000111.1S104 V105 I106 N110 A111 F112 I147 N150 I154S104-V108 WeakPolarHBondContact O-CG2 3.38Å; S104-V108 PolarHBondContact O-N 2.94Å; V105-V108 PolarHBondContact O-N 3.1Å; I106-V108 VanDerWaalsContact C-N 3.35Å; I106-V108 PolarHBondContact O-N 3.07Å; V108-N110 VanDerWaalsContact C-N 3.32Å; V108-N110 PolarHBondContact O-N 3.33Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.96Å; V108-F112 HydrophobicContact CG1-CD2 3.85Å; V108-F112 HydrophobicContact CG1-CE2 3.71Å; V108-F112 VanDerWaalsContact O-CD2 3.28Å; V108-F112 WeakPolarHBondContact O-CD2 3.3Å; V108-F112 PolarHBondContact O-N 3.21Å; V108-I147 HydrophobicContact CG1-CG1 4.49Å; V108-N150 HydrophobicContact CG2-CB 3.7Å; V108-I154 HydrophobicContact CB-CD1 4.28Å; V108-I154 HydrophobicContact CG2-CD1 3.86Å
109V83.9Confident80.5Confident42 Ų4239.2 Ų39.226%0.25519%0.191SC..Hα-helixtrans-61.1-41.5174.1169.60000111V71 V105 I106 A111 F112 V113 L297V71-V109 HydrophobicContact CG1-CG1 4.41Å; V105-V109 HydrophobicContact CG1-CG2 4.31Å; V105-V109 WeakPolarHBondContact O-CG2 3.32Å; V105-V109 PolarHBondContact O-N 2.87Å; I106-V109 PolarHBondContact O-N 3.22Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.17Å; V109-F112 PolarHBondContact O-N 3.48Å; V109-V113 HydrophobicContact CG1-CG2 4.31Å; V109-V113 WeakPolarHBondContact O-CG2 3.34Å; V109-V113 PolarHBondContact O-N 2.89Å; V109-L297 HydrophobicContact CG1-CD1 3.51Å
110N85.1Confident81.1Confident13 Ų1337.2 Ų37.27%0.0718%0.179CC..Hα-helixtrans-63.3-38.2175.5-167.244.2000111.9N68 V71 P72 I106 D107 V108 V113 T114N68-N110 PolarHBondContact O-ND2 3.01Å; V71-N110 HydrophobicContact CB-CB 4.31Å; V71-N110 HydrophobicContact CG1-CB 4.39Å; P72-N110 VanDerWaalsContact CD-CG 3.5Å; P72-N110 WeakPolarHBondContact CD-OD1 3.35Å; P72-N110 HydrophobicContact CG-CB 4.49Å; I106-N110 WeakPolarHBondContact O-CB 3.5Å; I106-N110 PolarHBondContact O-N 3.35Å; D107-N110 PolarHBondContact O-N 3Å; V108-N110 VanDerWaalsContact C-N 3.32Å; V108-N110 PolarHBondContact O-N 3.33Å; N110-V113 PolarHBondContact O-N 2.91Å; N110-T114 WeakPolarHBondContact O-CB 3.46Å; N110-T114 VanDerWaalsContact O-CG2 3.29Å; N110-T114 WeakPolarHBondContact O-CG2 3.2Å; N110-T114 PolarHBondContact O-N 2.86Å; N110-T114 PolarHBondContact O-OG1 3.22Å; N110-T114 WeakPolarHBondContact OD1-CG2 3.4Å
111A83Confident81.5Confident1 Ų137.5 Ų37.51%0.00818%0.181CC..Hα-helixtrans-61.3-44.9173.200000112.3D107 V108 V109 D115 R143D107-A111 PolarHBondContact O-N 3.15Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.96Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 3.17Å; A111-D115 WeakPolarHBondContact O-CB 3.39Å; A111-D115 PolarHBondContact O-N 3.34Å; A111-D115 VanDerWaalsContact O-N 3.12Å; A111-R143 HydrophobicContact CB-CB 4.13Å
112F84.6Confident81.9Confident37 Ų3738.2 Ų38.216%0.16219%0.186CC..Hα-helixtrans-66.6-35.2176.7-82.5-74.5000114.1V108 V109 L118 H119 V122 L138 I147 L300V108-F112 HydrophobicContact CG1-CD2 3.85Å; V108-F112 HydrophobicContact CG1-CE2 3.71Å; V108-F112 VanDerWaalsContact O-CD2 3.28Å; V108-F112 WeakPolarHBondContact O-CD2 3.3Å; V108-F112 PolarHBondContact O-N 3.21Å; V109-F112 PolarHBondContact O-N 3.48Å; F112-L118 HydrophobicContact CD1-CB 3.86Å; F112-L118 HydrophobicContact CD1-CD1 4.43Å; F112-L118 HydrophobicContact CD1-CD2 4.48Å; F112-L118 HydrophobicContact CE1-CB 4.3Å; F112-L118 HydrophobicContact CE1-CD2 4.11Å; F112-H119 WeakPolarHBondContact O-CB 3.11Å; F112-V122 HydrophobicContact CD1-CG2 3.82Å; F112-V122 HydrophobicContact CE1-CG2 3.62Å; F112-L138 HydrophobicContact CE1-CD1 4.04Å; F112-L138 HydrophobicContact CZ-CD1 3.75Å; F112-I147 HydrophobicContact CE2-CD1 4.16Å; F112-I147 HydrophobicContact CZ-CD1 4.18Å; F112-L300 HydrophobicContact CB-CD1 4.27Å; F112-L300 HydrophobicContact CB-CD2 3.63Å
113V83.3Confident82.1Confident0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-75.2-36.1-179.7169.30000112.2V71 V109 N110 E293 R296 L297 L300V71-V113 HydrophobicContact CG2-CB 4.46Å; V71-V113 HydrophobicContact CG2-CG1 4.25Å; V71-V113 HydrophobicContact CG2-CG2 4.43Å; V109-V113 HydrophobicContact CG1-CG2 4.31Å; V109-V113 WeakPolarHBondContact O-CG2 3.34Å; V109-V113 PolarHBondContact O-N 2.89Å; N110-V113 PolarHBondContact O-N 2.91Å; V113-E293 HydrophobicContact CG1-CB 4.27Å; V113-E293 VanDerWaalsContact CG1-O 3.3Å; V113-E293 WeakPolarHBondContact CG1-O 3.37Å; V113-R296 HydrophobicContact CG1-CB 4.2Å; V113-L297 HydrophobicContact CG2-CB 3.85Å; V113-L297 HydrophobicContact CG2-CD1 3.85Å; V113-L297 HydrophobicContact CG2-CG 4.45Å; V113-L300 HydrophobicContact CG2-CD2 3.89Å
114T81.1Confident82.2Confident17 Ų1738.3 Ų38.310%0.10419%0.187CC..Hα-helixtrans-90.5-28.8-172.558.40000113.8N68 N110 E116 R143N68-T114 HydrophobicContact CB-CG2 4.06Å; N110-T114 WeakPolarHBondContact O-CB 3.46Å; N110-T114 VanDerWaalsContact O-CG2 3.29Å; N110-T114 WeakPolarHBondContact O-CG2 3.2Å; N110-T114 PolarHBondContact O-N 2.86Å; N110-T114 PolarHBondContact O-OG1 3.22Å; N110-T114 WeakPolarHBondContact OD1-CG2 3.4Å; T114-E116 PolarHBondContact O-N 2.88Å; T114-R143 PolarHBondContact OG1-NH1 2.86Å; T114-R143 PolarHBondContact OG1-NH2 3.22Å
115D82.6Confident82.4Confident27 Ų2739.2 Ų39.214%0.14419%0.192CC..  trans-84.6105.2167.4-178.4-10.3000110.2A111 R117 L118 H119 S141A111-D115 WeakPolarHBondContact O-CB 3.39Å; A111-D115 PolarHBondContact O-N 3.34Å; A111-D115 VanDerWaalsContact O-N 3.12Å; D115-R117 PolarHBondContact O-N 2.91Å; D115-R117 WeakPolarHBondContact OD1-CA 3.33Å; D115-R117 VanDerWaalsContact OD1-CB 3.25Å; D115-R117 WeakPolarHBondContact OD1-CB 3.44Å; D115-R117 PolarHBondContact OD1-N 3.44Å; D115-L118 HydrophobicContact CB-CB 4.02Å; D115-L118 HydrophobicContact CB-CD1 3.95Å; D115-L118 HydrophobicContact CB-CG 4.09Å; D115-L118 PolarHBondContact O-N 3.25Å; D115-L118 VanDerWaalsContact O-N 3.17Å; D115-L118 PolarHBondContact OD1-N 3.09Å; D115-L118 WeakPolarHBondContact OD2-CG 3.4Å; D115-H119 PolarHBondContact O-N 2.91Å; D115-S141 WeakPolarHBondContact OD2-CB 3.44Å; D115-S141 PolarHBondContact OD2-OG 3.32Å
116E81.4Confident82.3Confident81 Ų8137.3 Ų37.338%0.37918%0.18SC..Hα-helixtrans-60.4-26179.7-164.6176.4124.200113.6T114 K120 R296T114-E116 PolarHBondContact O-N 2.88Å; E116-K120 HydrophobicContact CG-CD 4.12Å; E116-K120 WeakPolarHBondContact O-CB 3.44Å; E116-K120 VanDerWaalsContact O-CG 3.31Å; E116-K120 WeakPolarHBondContact O-CG 3.33Å; E116-K120 PolarHBondContact O-N 2.93Å; E116-K120 WeakPolarHBondContact OE1-CE 3.43Å; E116-K120 IonicContact OE1-NZ 3.33Å; E116-K120 PolarHBondContact OE1-NZ 3.29Å; E116-R296 IonicContact OE2-CZ 2.64Å; E116-R296 IonicContact OE2-NH1 3.95Å; E116-R296 PolarHBondContact OE2-NH1 3.03Å; E116-R296 IonicContact OE2-NH2 3.45Å; E116-R296 PolarHBondContact OE2-NH2 3.18Å
117R82.6Confident82.2Confident178 Ų17842.9 Ų42.967%0.67221%0.206SC*.Hα-helixtrans-72.7-46176.3-57.6176173.8170-1.2110.2D115 A121 T137D115-R117 PolarHBondContact O-N 2.91Å; D115-R117 WeakPolarHBondContact OD1-CA 3.33Å; D115-R117 VanDerWaalsContact OD1-CB 3.25Å; D115-R117 WeakPolarHBondContact OD1-CB 3.44Å; D115-R117 PolarHBondContact OD1-N 3.44Å; R117-A121 VanDerWaalsContact O-CB 3.24Å; R117-A121 WeakPolarHBondContact O-CB 3.41Å; R117-A121 PolarHBondContact O-N 3.45Å; R117-T137 HydrophobicContact CB-CG2 3.9Å
118L82.2Confident82.2Confident2 Ų245.5 Ų45.51%0.0122%0.215CC..Hα-helixtrans-61.1-45.4173.7-77.1178.8000111.5F112 D115 A121 V122 L138 S141 I147F112-L118 HydrophobicContact CD1-CB 3.86Å; F112-L118 HydrophobicContact CD1-CD1 4.43Å; F112-L118 HydrophobicContact CD1-CD2 4.48Å; F112-L118 HydrophobicContact CE1-CB 4.3Å; F112-L118 HydrophobicContact CE1-CD2 4.11Å; D115-L118 HydrophobicContact CB-CB 4.02Å; D115-L118 HydrophobicContact CB-CD1 3.95Å; D115-L118 HydrophobicContact CB-CG 4.09Å; D115-L118 PolarHBondContact O-N 3.25Å; D115-L118 VanDerWaalsContact O-N 3.17Å; D115-L118 PolarHBondContact OD1-N 3.09Å; D115-L118 WeakPolarHBondContact OD2-CG 3.4Å; L118-A121 PolarHBondContact O-N 2.72Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 3.04Å; L118-V122 VanDerWaalsContact O-N 3.12Å; L118-L138 HydrophobicContact CD2-CB 4.49Å; L118-L138 HydrophobicContact CD2-CD1 4.01Å; L118-S141 WeakPolarHBondContact CD1-OG 3.4Å; L118-I147 HydrophobicContact CD1-CD1 3.94Å
119H83.6Confident81.7Confident8 Ų846.5 Ų46.54%0.03723%0.225CC..Hα-helixtrans-57.4-55.3177-177.152.5000111.9F112 D115 A121 V122 V123 R296 Q299F112-H119 WeakPolarHBondContact O-CB 3.11Å; D115-H119 PolarHBondContact O-N 2.91Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.4Å; H119-V122 PolarHBondContact O-N 2.65Å; H119-V123 WeakPolarHBondContact O-CG2 3.36Å; H119-V123 PolarHBondContact O-N 2.77Å; H119-R296 PolarHBondContact CE1-O 2.88Å; H119-Q299 PolarHBondContact NE2-OE1 2.89Å
120K83.3Confident81.3Confident116 Ų11648.5 Ų48.550%0.50423%0.234SC..Hα-helixtrans-59.3-40.5179.1-76.1172.3173.4170.20111.8E116 V122 V123 E124E116-K120 HydrophobicContact CG-CD 4.12Å; E116-K120 WeakPolarHBondContact O-CB 3.44Å; E116-K120 VanDerWaalsContact O-CG 3.31Å; E116-K120 WeakPolarHBondContact O-CG 3.33Å; E116-K120 PolarHBondContact O-N 2.93Å; E116-K120 WeakPolarHBondContact OE1-CE 3.43Å; E116-K120 IonicContact OE1-NZ 3.33Å; E116-K120 PolarHBondContact OE1-NZ 3.29Å; K120-V122 PolarHBondContact O-N 3.49Å; K120-V123 PolarHBondContact O-N 3.26Å; K120-E124 WeakPolarHBondContact O-CB 3.23Å; K120-E124 WeakPolarHBondContact O-CG 3.37Å; K120-E124 PolarHBondContact O-N 2.69Å
121A81.8Confident80.6Confident11 Ų1148.8 Ų48.89%0.09124%0.235CC..Hα-helixtrans-59.5-41.3176.600000113.4R117 L118 H119 L125 A134 T137R117-A121 VanDerWaalsContact O-CB 3.24Å; R117-A121 WeakPolarHBondContact O-CB 3.41Å; R117-A121 PolarHBondContact O-N 3.45Å; L118-A121 PolarHBondContact O-N 2.72Å; H119-A121 VanDerWaalsContact C-N 3.3Å; H119-A121 PolarHBondContact O-N 3.4Å; A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.28Å; A121-A134 HydrophobicContact CB-CB 4.3Å; A121-T137 HydrophobicContact CB-CG2 3.97Å
122V83.1Confident80.1Confident27 Ų2753.4 Ų53.416%0.16426%0.263CS..Hα-helixtrans-74.3-38.8178.5177.30000111.9F112 L118 H119 K120 L125 A126 L300 A303 I307F112-V122 HydrophobicContact CD1-CG2 3.82Å; F112-V122 HydrophobicContact CE1-CG2 3.62Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 3.04Å; L118-V122 VanDerWaalsContact O-N 3.12Å; H119-V122 PolarHBondContact O-N 2.65Å; K120-V122 PolarHBondContact O-N 3.49Å; V122-L125 WeakPolarHBondContact O-CB 3.19Å; V122-L125 PolarHBondContact O-N 3.42Å; V122-A126 PolarHBondContact O-N 3.48Å; V122-A126 VanDerWaalsContact O-N 3.1Å; V122-L300 HydrophobicContact CB-CD1 3.96Å; V122-L300 HydrophobicContact CG1-CD1 3.74Å; V122-L300 HydrophobicContact CG2-CD1 4.42Å; V122-A303 HydrophobicContact CG1-CB 4.19Å; V122-I307 HydrophobicContact CG1-CD1 4.11Å
123V83.3Confident79.5Confident31 Ų3154.6 Ų54.619%0.18828%0.276CS..Hα-helixtrans-65.6-46.4175.3176.50000111H119 K120 L125 A126 E127 Q299 A303H119-V123 WeakPolarHBondContact O-CG2 3.36Å; H119-V123 PolarHBondContact O-N 2.77Å; K120-V123 PolarHBondContact O-N 3.26Å; V123-L125 VanDerWaalsContact C-N 3.26Å; V123-L125 PolarHBondContact O-N 3.12Å; V123-A126 WeakPolarHBondContact O-CB 3.16Å; V123-A126 PolarHBondContact O-N 3.15Å; V123-A126 VanDerWaalsContact O-N 3.14Å; V123-E127 PolarHBondContact O-N 3.31Å; V123-E127 VanDerWaalsContact O-N 3.08Å; V123-Q299 HydrophobicContact CG2-CB 4.41Å; V123-A303 HydrophobicContact CG2-CB 4.18Å
124E82.5Confident78.9Confident71 Ų7155.1 Ų55.133%0.33228%0.28SS..Hα-helixtrans-62.8-31.9174.4-73.7-147.2166.200112.9K120 E127 K128K120-E124 WeakPolarHBondContact O-CB 3.23Å; K120-E124 WeakPolarHBondContact O-CG 3.37Å; K120-E124 PolarHBondContact O-N 2.69Å; E124-E127 PolarHBondContact O-N 2.97Å; E124-K128 HydrophobicContact CB-CD 4.37Å; E124-K128 HydrophobicContact CG-CD 4.33Å; E124-K128 WeakPolarHBondContact O-CA 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.13Å; E124-K128 PolarHBondContact O-N 3.14Å; E124-K128 IonicContact OE1-NZ 2.67Å; E124-K128 PolarHBondContact OE1-NZ 2.68Å; E124-K128 IonicContact OE2-NZ 3.13Å; E124-K128 PolarHBondContact OE2-NZ 2.72Å
125L81.3Confident78.4Confident24 Ų2457.3 Ų57.313%0.12629%0.291CS..Hα-helixtrans-64.7-41.9174.1-178.856.4000111.5A121 V122 V123 A129 F131 A134 I307A121-L125 VanDerWaalsContact O-CB 3.32Å; A121-L125 WeakPolarHBondContact O-CB 3.42Å; A121-L125 PolarHBondContact O-N 3.28Å; V122-L125 WeakPolarHBondContact O-CB 3.19Å; V122-L125 PolarHBondContact O-N 3.42Å; V123-L125 VanDerWaalsContact C-N 3.26Å; V123-L125 PolarHBondContact O-N 3.12Å; L125-A129 WeakPolarHBondContact O-CA 3.22Å; L125-A129 PolarHBondContact O-N 3.46Å; L125-A129 VanDerWaalsContact O-N 3.17Å; L125-F131 HydrophobicContact CD1-CB 4.19Å; L125-F131 HydrophobicContact CD1-CD1 3.61Å; L125-F131 HydrophobicContact CD1-CD2 4.28Å; L125-F131 HydrophobicContact CD1-CE1 4.02Å; L125-F131 HydrophobicContact CD1-CG 3.74Å; L125-F131 HydrophobicContact CD2-CD1 4.35Å; L125-A134 HydrophobicContact CB-CB 4.16Å; L125-A134 HydrophobicContact CD2-CB 4.09Å; L125-I307 HydrophobicContact CB-CD1 4.24Å; L125-I307 HydrophobicContact CD2-CD1 4.09Å; L125-I307 HydrophobicContact CG-CD1 4.01Å; L125-I307 HydrophobicContact CG-CG1 4.45Å
126A78.7Confident78Confident6 Ų659.8 Ų59.85%0.0531%0.307CS..Hα-helixtrans-64.6-37.7176.200000112.6V122 V123 A303 T306 I307 K310V122-A126 PolarHBondContact O-N 3.48Å; V122-A126 VanDerWaalsContact O-N 3.1Å; V123-A126 WeakPolarHBondContact O-CB 3.16Å; V123-A126 PolarHBondContact O-N 3.15Å; V123-A126 VanDerWaalsContact O-N 3.14Å; A126-A303 HydrophobicContact CB-CB 3.75Å; A126-T306 HydrophobicContact CB-CG2 4.22Å; A126-I307 HydrophobicContact CB-CD1 4.09Å; A126-I307 HydrophobicContact CB-CG1 3.83Å; A126-K310 PolarHBondContact O-NZ 3.49Å
127E78.3Confident77.7Confident139 Ų13957.6 Ų57.665%0.6530%0.299SS*.Hα-helixtrans-81.7-59.3179.4-67.2-172.6165.400113.1V123 E124V123-E127 PolarHBondContact O-N 3.31Å; V123-E127 VanDerWaalsContact O-N 3.08Å; E124-E127 PolarHBondContact O-N 2.97Å
128K79.5Confident77.2Confident107 Ų10751.3 Ų51.347%0.46528%0.279SS..Hα-helixtrans-96.1-11.3-164.4-53.9175.9-173.71770114.1E124 N130E124-K128 HydrophobicContact CB-CD 4.37Å; E124-K128 HydrophobicContact CG-CD 4.33Å; E124-K128 WeakPolarHBondContact O-CA 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.13Å; E124-K128 PolarHBondContact O-N 3.14Å; E124-K128 IonicContact OE1-NZ 2.67Å; E124-K128 PolarHBondContact OE1-NZ 2.68Å; E124-K128 IonicContact OE2-NZ 3.13Å; E124-K128 PolarHBondContact OE2-NZ 2.72Å; K128-N130 PolarHBondContact O-N 2.75Å
129A71Confident76.8Confident39 Ų3955.2 Ų55.232%0.32230%0.299SS..  trans59.824.8-175.900000115.4L125 F131 F317L125-A129 WeakPolarHBondContact O-CA 3.22Å; L125-A129 PolarHBondContact O-N 3.46Å; L125-A129 VanDerWaalsContact O-N 3.17Å; A129-F131 VanDerWaalsContact C-N 3.3Å; A129-F131 HydrophobicContact CB-CE2 4.4Å; A129-F131 WeakPolarHBondContact O-CD2 3.44Å; A129-F131 PolarHBondContact O-N 3.49Å; A129-F317 HydrophobicContact CB-CD2 4.07Å; A129-F317 HydrophobicContact CB-CE2 3.74Å
130N75.1Confident76.4Confident83 Ų8359.2 Ų59.244%0.44432%0.324SS..  trans-80.963.9-178.1-77-22.4000113.1K128 V132 S133 A134K128-N130 PolarHBondContact O-N 2.75Å; N130-V132 VanDerWaalsContact C-N 3.26Å; N130-V132 PolarHBondContact O-N 2.82Å; N130-V132 VanDerWaalsContact O-N 3.13Å; N130-S133 WeakPolarHBondContact O-CB 3.15Å; N130-S133 PolarHBondContact O-N 3.44Å; N130-S133 VanDerWaalsContact O-N 3.13Å; N130-A134 PolarHBondContact O-N 3.26Å
131F70.9Confident75.9Confident19 Ų1954.3 Ų54.38%0.08330%0.304CS..Hα-helixtrans-52.4-37.8-175.3-60.3-94000114.7L125 A129 A134 I135 F317 A320 F321 L324L125-F131 HydrophobicContact CD1-CB 4.19Å; L125-F131 HydrophobicContact CD1-CD1 3.61Å; L125-F131 HydrophobicContact CD1-CD2 4.28Å; L125-F131 HydrophobicContact CD1-CE1 4.02Å; L125-F131 HydrophobicContact CD1-CG 3.74Å; L125-F131 HydrophobicContact CD2-CD1 4.35Å; A129-F131 VanDerWaalsContact C-N 3.3Å; A129-F131 HydrophobicContact CB-CE2 4.4Å; A129-F131 WeakPolarHBondContact O-CD2 3.44Å; A129-F131 PolarHBondContact O-N 3.49Å; F131-A134 PolarHBondContact O-N 3.26Å; F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 3.27Å; F131-F317 AromaticContact CE1-CE1 3.98Å; F131-F317 HydrophobicContact CE1-CE1 3.98Å; F131-F317 HydrophobicContact CE1-CE2 4.41Å; F131-F317 AromaticContact CE1-CZ 3.81Å; F131-F317 HydrophobicContact CE1-CZ 3.81Å; F131-F317 HydrophobicContact CE2-CD2 4.34Å; F131-F317 HydrophobicContact CE2-CE2 4.05Å; F131-F317 HydrophobicContact CE2-CZ 4.27Å; F131-F317 HydrophobicContact CZ-CD1 4.01Å; F131-F317 AromaticContact CZ-CD2 3.99Å; F131-F317 HydrophobicContact CZ-CD2 3.99Å; F131-F317 AromaticContact CZ-CE1 3.6Å; F131-F317 HydrophobicContact CZ-CE1 3.6Å; F131-F317 AromaticContact CZ-CE2 3.59Å; F131-F317 HydrophobicContact CZ-CE2 3.59Å; F131-F317 HydrophobicContact CZ-CG 4.2Å; F131-F317 AromaticContact CZ-CZ 3.38Å; F131-F317 HydrophobicContact CZ-CZ 3.38Å; F131-A320 HydrophobicContact CD2-CB 4.45Å; F131-A320 HydrophobicContact CE2-CB 3.75Å; F131-A320 HydrophobicContact CZ-CB 4.48Å; F131-F321 AromaticContact CD1-CD2 3.94Å; F131-F321 HydrophobicContact CD1-CD2 3.94Å; F131-F321 HydrophobicContact CE1-CB 4.15Å; F131-F321 AromaticContact CE1-CD2 3.56Å; F131-F321 HydrophobicContact CE1-CD2 3.56Å; F131-F321 HydrophobicContact CE1-CE2 4.44Å; F131-F321 HydrophobicContact CE1-CG 4.29Å; F131-F321 HydrophobicContact CZ-CB 4.12Å; F131-F321 HydrophobicContact CZ-CD2 4.37Å; F131-L324 HydrophobicContact CB-CD1 3.61Å
132V71.4Confident75.5Confident99 Ų9961.2 Ų61.260%0.634%0.339SS*.Hα-helixtrans-62.3-46.1-179-178.60000110.9N130 A134 I135 T136N130-V132 VanDerWaalsContact C-N 3.26Å; N130-V132 PolarHBondContact O-N 2.82Å; N130-V132 VanDerWaalsContact O-N 3.13Å; V132-A134 PolarHBondContact O-N 3.13Å; V132-I135 PolarHBondContact O-N 3.2Å; V132-T136 PolarHBondContact O-N 3.45Å; V132-T136 PolarHBondContact O-OG1 2.93Å; V132-T136 VanDerWaalsContact O-OG1 3.06Å
133S72.1Confident75.1Confident62 Ų6263.3 Ų63.343%0.43434%0.344SS..Hα-helixtrans-57.2-52.3176.8-1710000110.6N130 I135 T136 T137N130-S133 WeakPolarHBondContact O-CB 3.15Å; N130-S133 PolarHBondContact O-N 3.44Å; N130-S133 VanDerWaalsContact O-N 3.13Å; S133-I135 VanDerWaalsContact C-N 3.35Å; S133-I135 PolarHBondContact O-N 2.61Å; S133-T136 PolarHBondContact O-N 3.1Å; S133-T137 PolarHBondContact O-N 3.41Å; S133-T137 PolarHBondContact O-OG1 2.86Å
134A70.2Confident74.8Confident11 Ų1163.9 Ų63.99%0.09134%0.344CS..Hα-helixtrans-61.7-39.5-176.600000113.3A121 L125 N130 F131 V132 T137 L138A121-A134 HydrophobicContact CB-CB 4.3Å; L125-A134 HydrophobicContact CB-CB 4.16Å; L125-A134 HydrophobicContact CD2-CB 4.09Å; N130-A134 PolarHBondContact O-N 3.26Å; F131-A134 PolarHBondContact O-N 3.26Å; V132-A134 PolarHBondContact O-N 3.13Å; A134-T137 PolarHBondContact O-N 2.87Å; A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 PolarHBondContact O-N 3.33Å
135I72.4Confident74.4Confident63 Ų6366 Ų6632%0.32336%0.358SS..Hα-helixtrans-75.1-34.5179.1-69.1172.5000111.7F131 V132 S133 L138 I139 L324F131-I135 WeakPolarHBondContact O-CG1 3.5Å; F131-I135 PolarHBondContact O-N 3.27Å; V132-I135 PolarHBondContact O-N 3.2Å; S133-I135 VanDerWaalsContact C-N 3.35Å; S133-I135 PolarHBondContact O-N 2.61Å; I135-L138 PolarHBondContact O-N 3.43Å; I135-I139 HydrophobicContact CG2-CD1 3.83Å; I135-I139 WeakPolarHBondContact O-CG1 3.18Å; I135-I139 PolarHBondContact O-N 3Å; I135-I139 VanDerWaalsContact O-N 3.09Å; I135-L324 HydrophobicContact CD1-CD1 3.87Å; I135-L324 HydrophobicContact CD1-CD2 3.4Å; I135-L324 VanDerWaalsContact CD1-CD2 3.4Å; I135-L324 HydrophobicContact CD1-CG 4.3Å
136T73.8Confident74.1Confident79 Ų7968.1 Ų68.149%0.48537%0.369SS..Hα-helixtrans-61.6-48.6169.6-58.20000110.5V132 S133 L138 I139 T140V132-T136 PolarHBondContact O-N 3.45Å; V132-T136 PolarHBondContact O-OG1 2.93Å; V132-T136 VanDerWaalsContact O-OG1 3.06Å; S133-T136 PolarHBondContact O-N 3.1Å; T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 2.86Å; T136-I139 PolarHBondContact O-N 3.26Å; T136-T140 HydrophobicContact CG2-CG2 4.47Å; T136-T140 WeakPolarHBondContact O-CG2 3.24Å; T136-T140 PolarHBondContact O-N 3.22Å; T136-T140 PolarHBondContact O-OG1 2.9Å; T136-T140 VanDerWaalsContact O-OG1 3.06Å
137T74.4Confident73.8Confident34 Ų3468 Ų6821%0.20937%0.368CS..Hα-helixtrans-60.2-37.9177-50.70000112.7R117 A121 S133 A134 T140 S141R117-T137 HydrophobicContact CB-CG2 3.9Å; A121-T137 HydrophobicContact CB-CG2 3.97Å; S133-T137 PolarHBondContact O-N 3.41Å; S133-T137 PolarHBondContact O-OG1 2.86Å; A134-T137 PolarHBondContact O-N 2.87Å; T137-T140 PolarHBondContact O-N 2.85Å; T137-T140 PolarHBondContact O-OG1 3.43Å; T137-S141 PolarHBondContact O-N 3.34Å
138L72Confident73.5Confident47 Ų4766.4 Ų66.425%0.24636%0.355CS..Hα-helixtrans-60.1-48.6175.6-171.391.3000111.8F112 L118 A134 I135 T136 T140 S141 F144 I147F112-L138 HydrophobicContact CE1-CD1 4.04Å; F112-L138 HydrophobicContact CZ-CD1 3.75Å; L118-L138 HydrophobicContact CD2-CB 4.49Å; L118-L138 HydrophobicContact CD2-CD1 4.01Å; A134-L138 WeakPolarHBondContact O-CB 3.32Å; A134-L138 PolarHBondContact O-N 3.33Å; I135-L138 PolarHBondContact O-N 3.43Å; T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 2.86Å; L138-T140 VanDerWaalsContact C-N 3.29Å; L138-T140 PolarHBondContact O-N 3.31Å; L138-S141 PolarHBondContact O-N 2.95Å; L138-F144 HydrophobicContact CD2-CE2 4.14Å; L138-F144 HydrophobicContact CG-CD2 4.26Å; L138-F144 HydrophobicContact CG-CE2 4.32Å; L138-F144 VanDerWaalsContact O-CD2 3.23Å; L138-F144 WeakPolarHBondContact O-CD2 3.48Å; L138-I147 HydrophobicContact CD1-CD1 4.25Å
139I73.4Confident73.3Confident84 Ų8464.5 Ų64.543%0.43136%0.355SS..Hα-helixtrans-71.3-24.8-177.4-66.1167.4000111.7I135 T136I135-I139 HydrophobicContact CG2-CD1 3.83Å; I135-I139 WeakPolarHBondContact O-CG1 3.18Å; I135-I139 PolarHBondContact O-N 3Å; I135-I139 VanDerWaalsContact O-N 3.09Å; T136-I139 PolarHBondContact O-N 3.26Å
140T75.4Confident73.5Confident91 Ų9163.5 Ų63.556%0.55835%0.345SS*.THydrogen-bonded Turntrans-9913.5179.163.30000114.6T136 T137 L138T136-T140 HydrophobicContact CG2-CG2 4.47Å; T136-T140 WeakPolarHBondContact O-CG2 3.24Å; T136-T140 PolarHBondContact O-N 3.22Å; T136-T140 PolarHBondContact O-OG1 2.9Å; T136-T140 VanDerWaalsContact O-OG1 3.06Å; T137-T140 PolarHBondContact O-N 2.85Å; T137-T140 PolarHBondContact O-OG1 3.43Å; L138-T140 VanDerWaalsContact C-N 3.29Å; L138-T140 PolarHBondContact O-N 3.31Å
141S73.4Confident73.3Confident13 Ų1363.1 Ų63.19%0.09134%0.342CS..  trans-86.8137176.5173.80000111.4D115 L118 T137 L138 R143 F144D115-S141 WeakPolarHBondContact OD2-CB 3.44Å; D115-S141 PolarHBondContact OD2-OG 3.32Å; L118-S141 WeakPolarHBondContact CD1-OG 3.4Å; T137-S141 PolarHBondContact O-N 3.34Å; L138-S141 PolarHBondContact O-N 2.95Å; S141-R143 PolarHBondContact O-N 2.9Å; S141-R143 PolarHBondContact OG-N 3.45Å; S141-F144 VanDerWaalsContact O-CB 3.3Å; S141-F144 WeakPolarHBondContact O-CB 3.46Å; S141-F144 PolarHBondContact O-N 3.04Å
142D73.5Confident73.3Confident157 Ų15765.8 Ų65.884%0.8436%0.363SS*.THydrogen-bonded Turntrans-57.6-15.4172.7-53.2-28.9000113.1
143R75.4Confident73.2Confident70 Ų7066.1 Ų66.126%0.26436%0.358SS..THydrogen-bonded Turntrans-101.66.5177.4-59.9-164.3-177.5-150.411.8114.1A111 T114 S141 D145 I146 I147A111-R143 HydrophobicContact CB-CB 4.13Å; T114-R143 PolarHBondContact OG1-NH1 2.86Å; T114-R143 PolarHBondContact OG1-NH2 3.22Å; S141-R143 PolarHBondContact O-N 2.9Å; S141-R143 PolarHBondContact OG-N 3.45Å; R143-D145 PolarHBondContact O-N 3.03Å; R143-I146 HydrophobicContact CB-CD1 4.38Å; R143-I146 HydrophobicContact CG-CD1 4.45Å; R143-I146 PolarHBondContact O-N 2.83Å; R143-I146 VanDerWaalsContact O-N 3.14Å; R143-I147 PolarHBondContact O-N 3.36Å
144F76.3Confident73.2Confident43 Ų4365.5 Ų65.519%0.18935%0.349CS..Hα-helixtrans-58.1-33.1179.9-176.5-107000113L138 S141 I146 I147 R148L138-F144 HydrophobicContact CD2-CE2 4.14Å; L138-F144 HydrophobicContact CG-CD2 4.26Å; L138-F144 HydrophobicContact CG-CE2 4.32Å; L138-F144 VanDerWaalsContact O-CD2 3.23Å; L138-F144 WeakPolarHBondContact O-CD2 3.48Å; S141-F144 VanDerWaalsContact O-CB 3.3Å; S141-F144 WeakPolarHBondContact O-CB 3.46Å; S141-F144 PolarHBondContact O-N 3.04Å; F144-I146 PolarHBondContact O-N 2.92Å; F144-I147 WeakPolarHBondContact O-CB 3.22Å; F144-I147 PolarHBondContact O-N 2.99Å; F144-R148 HydrophobicContact CE1-CB 4.44Å; F144-R148 WeakPolarHBondContact O-CB 3.45Å; F144-R148 PolarHBondContact O-N 2.94Å
145D74.4Confident72.9Confident116 Ų11667.5 Ų67.562%0.6236%0.358SS*.Hα-helixtrans-64.1-36.2177.6-77.1-31.1000113.3R143 I147 R148 S149R143-D145 PolarHBondContact O-N 3.03Å; D145-I147 VanDerWaalsContact C-N 3.33Å; D145-R148 PolarHBondContact O-N 2.73Å; D145-S149 PolarHBondContact O-N 3.15Å; D145-S149 PolarHBondContact O-OG 2.91Å
146I73.9Confident72.9Confident69 Ų6967.9 Ų67.935%0.35437%0.367SS..Hα-helixtrans-67-39.2175.3-57.8169.9000110.1D107 R143 F144 S149 N150D107-I146 HydrophobicContact CB-CG2 4.38Å; R143-I146 HydrophobicContact CB-CD1 4.38Å; R143-I146 HydrophobicContact CG-CD1 4.45Å; R143-I146 PolarHBondContact O-N 2.83Å; R143-I146 VanDerWaalsContact O-N 3.14Å; F144-I146 PolarHBondContact O-N 2.92Å; I146-S149 PolarHBondContact O-OG 3.46Å; I146-S149 VanDerWaalsContact O-OG 3.06Å; I146-N150 WeakPolarHBondContact O-CB 3.12Å; I146-N150 PolarHBondContact O-N 2.9Å; I146-N150 PolarHBondContact O-OD1 2.95Å
147I72.6Confident72.7Confident4 Ų465 Ų652%0.02135%0.348CS..Hα-helixtrans-66-43.6175.5-61.9173.8000109.7V108 F112 L118 L138 R143 F144 D145 N150 I151V108-I147 HydrophobicContact CG1-CG1 4.49Å; F112-I147 HydrophobicContact CE2-CD1 4.16Å; F112-I147 HydrophobicContact CZ-CD1 4.18Å; L118-I147 HydrophobicContact CD1-CD1 3.94Å; L138-I147 HydrophobicContact CD1-CD1 4.25Å; R143-I147 PolarHBondContact O-N 3.36Å; F144-I147 WeakPolarHBondContact O-CB 3.22Å; F144-I147 PolarHBondContact O-N 2.99Å; D145-I147 VanDerWaalsContact C-N 3.33Å; I147-N150 PolarHBondContact O-N 2.9Å; I147-I151 HydrophobicContact CG2-CD1 3.6Å; I147-I151 HydrophobicContact CG2-CG1 4.27Å; I147-I151 WeakPolarHBondContact O-CB 3.29Å; I147-I151 WeakPolarHBondContact O-CD1 3.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 3.49Å; I147-I151 VanDerWaalsContact O-N 3.1Å
148R72.5Confident72.3Confident104 Ų10464.6 Ų64.639%0.39235%0.346SS..Hα-helixtrans-66.2-41.4179.7-174.3-179.1177.9-171.2-0.5112.8F144 D145 D340 F341F144-R148 HydrophobicContact CE1-CB 4.44Å; F144-R148 WeakPolarHBondContact O-CB 3.45Å; F144-R148 PolarHBondContact O-N 2.94Å; D145-R148 PolarHBondContact O-N 2.73Å; R148-D340 IonicContact NH2-OD2 2.68Å; R148-F341 HydrophobicContact CG-CE2 4.38Å
149S75.8Confident72.3Confident67 Ų6765.2 Ų65.247%0.46935%0.352SS..Hα-helixtrans-65.9-39.3178.457.70000112.3D145 I146 S152D145-S149 PolarHBondContact O-N 3.15Å; D145-S149 PolarHBondContact O-OG 2.91Å; I146-S149 PolarHBondContact O-OG 3.46Å; I146-S149 VanDerWaalsContact O-OG 3.06Å; S149-S152 PolarHBondContact O-OG 2.99Å
150N74.6Confident72.2Confident19 Ų1964.9 Ų64.910%0.10235%0.349CS..Hα-helixtrans-90.6-21.7-168.8-69.625.1000113.3S104 D107 V108 I146 I147 S152 E153 I154S104-N150 PolarHBondContact O-ND2 3.24Å; D107-N150 WeakPolarHBondContact CB-ND2 3.48Å; D107-N150 PolarHBondContact OD2-ND2 3.11Å; V108-N150 HydrophobicContact CG2-CB 3.7Å; I146-N150 WeakPolarHBondContact O-CB 3.12Å; I146-N150 PolarHBondContact O-N 2.9Å; I146-N150 PolarHBondContact O-OD1 2.95Å; I147-N150 PolarHBondContact O-N 2.9Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 2.73Å; N150-E153 PolarHBondContact O-N 2.66Å; N150-I154 HydrophobicContact CB-CD1 4.4Å; N150-I154 VanDerWaalsContact O-CG1 3.29Å; N150-I154 WeakPolarHBondContact O-CG1 3.33Å; N150-I154 PolarHBondContact O-N 3.19Å
151I72Confident71.9Confident74 Ų7461.6 Ų61.638%0.37933%0.327SS..Hα-helixtrans-56.4-39.3-179.6-88.6170.1000112.8I147 E153 I154 I155I147-I151 HydrophobicContact CG2-CD1 3.6Å; I147-I151 HydrophobicContact CG2-CG1 4.27Å; I147-I151 WeakPolarHBondContact O-CB 3.29Å; I147-I151 WeakPolarHBondContact O-CD1 3.12Å; I147-I151 WeakPolarHBondContact O-CG1 3.21Å; I147-I151 PolarHBondContact O-N 3.49Å; I147-I151 VanDerWaalsContact O-N 3.1Å; I151-E153 PolarHBondContact O-N 2.81Å; I151-I154 PolarHBondContact O-N 2.84Å; I151-I155 HydrophobicContact CG2-CD1 3.63Å; I151-I155 HydrophobicContact CG2-CG1 4.43Å; I151-I155 WeakPolarHBondContact O-CD1 3.3Å; I151-I155 WeakPolarHBondContact O-CG1 3.44Å; I151-I155 PolarHBondContact O-N 2.83Å
152S69.2Low71.8Confident76 Ų7663.6 Ų63.653%0.53134%0.336SS..Hα-helixtrans-65.8-36.5179.954.10000112.7S149 N150 S156S149-S152 PolarHBondContact O-OG 2.99Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 2.73Å; S152-S156 PolarHBondContact O-N 2.92Å
153E71Confident71.8Confident105 Ų10564.7 Ų64.749%0.49133%0.328SS..Hα-helixtrans-68.7-45172.3-60-171.6159.600111S104 N150 I151 I155 S156 L157S104-E153 VanDerWaalsContact CB-OE2 3.3Å; S104-E153 WeakPolarHBondContact CB-OE2 3.33Å; N150-E153 PolarHBondContact O-N 2.66Å; I151-E153 PolarHBondContact O-N 2.81Å; E153-I155 PolarHBondContact O-N 2.88Å; E153-S156 PolarHBondContact O-N 2.92Å; E153-S156 VanDerWaalsContact O-N 3.08Å; E153-S156 PolarHBondContact O-OG 2.87Å; E153-L157 WeakPolarHBondContact O-CB 3.34Å; E153-L157 WeakPolarHBondContact O-CD1 3.42Å; E153-L157 WeakPolarHBondContact O-CG 3.46Å; E153-L157 PolarHBondContact O-N 3.16Å
154I70.1Confident71.5Confident49 Ų4966.7 Ų66.725%0.25134%0.335SS..Hα-helixtrans-58.3-33.4176.8-64.3169.5000111.6V105 V108 N150 I151V105-I154 HydrophobicContact CG2-CD1 4.29Å; V105-I154 HydrophobicContact CG2-CG1 3.86Å; V105-I154 HydrophobicContact CG2-CG2 4.41Å; V108-I154 HydrophobicContact CB-CD1 4.28Å; V108-I154 HydrophobicContact CG2-CD1 3.86Å; N150-I154 HydrophobicContact CB-CD1 4.4Å; N150-I154 VanDerWaalsContact O-CG1 3.29Å; N150-I154 WeakPolarHBondContact O-CG1 3.33Å; N150-I154 PolarHBondContact O-N 3.19Å; I151-I154 PolarHBondContact O-N 2.84Å
155I65.2Low71Confident53 Ų5364.8 Ų64.827%0.27233%0.327SS..Hα-helixtrans-70.3-43.4175-71.3164.6000112I151 E153 L157 V349I151-I155 HydrophobicContact CG2-CD1 3.63Å; I151-I155 HydrophobicContact CG2-CG1 4.43Å; I151-I155 WeakPolarHBondContact O-CD1 3.3Å; I151-I155 WeakPolarHBondContact O-CG1 3.44Å; I151-I155 PolarHBondContact O-N 2.83Å; E153-I155 PolarHBondContact O-N 2.88Å; I155-L157 VanDerWaalsContact C-N 3.27Å; I155-L157 PolarHBondContact O-N 3.45Å; I155-V349 HydrophobicContact CB-CG2 4.18Å; I155-V349 HydrophobicContact CD1-CG1 4.4Å; I155-V349 HydrophobicContact CD1-CG2 3.78Å; I155-V349 HydrophobicContact CG1-CB 4.38Å; I155-V349 HydrophobicContact CG1-CG1 3.94Å; I155-V349 HydrophobicContact CG1-CG2 3.57Å; I155-V349 HydrophobicContact CG2-CG2 3.59Å
156S71.6Confident70.7Confident72 Ų7265.2 Ų65.250%0.50333%0.329SS..Hα-helixtrans-72.4-21.917969.50000113.1S152 E153S152-S156 PolarHBondContact O-N 2.92Å; E153-S156 PolarHBondContact O-N 2.92Å; E153-S156 VanDerWaalsContact O-N 3.08Å; E153-S156 PolarHBondContact O-OG 2.87Å
157L69.5Low70.3Confident18 Ų1870.7 Ų70.79%0.09435%0.347CS..Hα-helixtrans-68-41.3-171.8-91.2161.8000115.5P101 S104 E153 I155 E160 I161P101-L157 HydrophobicContact CB-CD2 3.49Å; P101-L157 VanDerWaalsContact CB-CD2 3.49Å; P101-L157 WeakPolarHBondContact O-CD1 3.47Å; P101-L157 WeakPolarHBondContact O-CD2 3.3Å; S104-L157 WeakPolarHBondContact OG-CD1 3.14Å; E153-L157 WeakPolarHBondContact O-CB 3.34Å; E153-L157 WeakPolarHBondContact O-CD1 3.42Å; E153-L157 WeakPolarHBondContact O-CG 3.46Å; E153-L157 PolarHBondContact O-N 3.16Å; I155-L157 VanDerWaalsContact C-N 3.27Å; I155-L157 PolarHBondContact O-N 3.45Å; L157-E160 CarbonylContact O-C 3.52Å; L157-E160 WeakPolarHBondContact O-CA 3.5Å; L157-E160 PolarHBondContact O-N 3.21Å; L157-I161 HydrophobicContact CB-CD1 4.44Å; L157-I161 VanDerWaalsContact O-CG1 3.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.26Å
158V67.2Low70Confident26 Ų2673.4 Ų73.416%0.15837%0.366CS..Hα-helixtrans-64.7-44.9-170.9-161.10000113.2E160 I161 E162 Y352 I359V158-E160 PolarHBondContact O-N 3.29Å; V158-I161 PolarHBondContact O-N 2.78Å; V158-E162 PolarHBondContact O-N 2.98Å; V158-Y352 HydrophobicContact CB-CE1 3.76Å; V158-Y352 HydrophobicContact CG1-CE1 3.82Å; V158-Y352 VanDerWaalsContact CG1-OH 3.29Å; V158-Y352 WeakPolarHBondContact CG1-OH 3.38Å; V158-Y352 HydrophobicContact CG2-CE1 4.17Å; V158-I359 HydrophobicContact CG1-CD1 4.32Å; V158-I359 HydrophobicContact CG1-CG1 4.45Å; V158-I359 HydrophobicContact CG2-CD1 4.43Å
159P71.2Confident69.6Low59 Ų5970.1 Ų70.138%0.38336%0.355SS..Hα-helixtrans-63.9-25172.5-22.334.7000113.7R163P159-R163 WeakPolarHBondContact O-CG 3.5Å; P159-R163 PolarHBondContact O-N 3.26Å
160E71.4Confident69.4Low77 Ų7770.5 Ų70.536%0.3635%0.351SS..Hα-helixtrans-78.2-37.4174-168.6170.8151.600112L157 V158 R163 R164L157-E160 CarbonylContact O-C 3.52Å; L157-E160 WeakPolarHBondContact O-CA 3.5Å; L157-E160 PolarHBondContact O-N 3.21Å; V158-E160 PolarHBondContact O-N 3.29Å; E160-R163 PolarHBondContact O-N 3.01Å; E160-R164 HydrophobicContact CG-CG 4.26Å; E160-R164 WeakPolarHBondContact O-CB 3.12Å; E160-R164 WeakPolarHBondContact O-CG 3.04Å; E160-R164 PolarHBondContact O-N 2.9Å; E160-R164 IonicContact OE1-CZ 3.4Å; E160-R164 IonicContact OE1-NE 2.79Å; E160-R164 PolarHBondContact OE1-NE 3.04Å; E160-R164 IonicContact OE1-NH2 3.07Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å
161I69.5Low69.1Low22 Ų2270.3 Ų70.311%0.11335%0.35CS..Hα-helixtrans-59.8-49.1171.4-67.1164.7000109.8L157 V158 R163 R164 M165 L187L157-I161 HydrophobicContact CB-CD1 4.44Å; L157-I161 VanDerWaalsContact O-CG1 3.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.4Å; L157-I161 PolarHBondContact O-N 3.26Å; V158-I161 PolarHBondContact O-N 2.78Å; I161-R163 PolarHBondContact O-N 3.14Å; I161-R164 PolarHBondContact O-N 2.87Å; I161-M165 HydrophobicContact CG2-CG 4.01Å; I161-M165 WeakPolarHBondContact O-CB 3.2Å; I161-M165 WeakPolarHBondContact O-CG 3.39Å; I161-M165 PolarHBondContact O-N 3.45Å; I161-L187 HydrophobicContact CG1-CD2 4.17Å; I161-L187 HydrophobicContact CG2-CD1 4.01Å; I161-L187 HydrophobicContact CG2-CD2 4.31Å
162E70.9Confident69Low56 Ų5671.4 Ų71.426%0.26235%0.352SS..Hα-helixtrans-55.9-38.5177.6-72.3177-17700112.4V158 N166 Y167 Y352 N356V158-E162 PolarHBondContact O-N 2.98Å; E162-N166 PolarHBondContact O-N 2.86Å; E162-Y167 PolarHBondContact O-N 3.35Å; E162-Y352 PolarHBondContact OE1-OH 3.38Å; E162-N356 PolarHBondContact OE1-ND2 3.04Å
163R74.4Confident69Low180 Ų18071 Ų7168%0.67934%0.342SS*.Hα-helixtrans-69.4-52.9173.1-71.2172.5-175.7167.43.9113.1P159 E160 I161 M165 N166P159-R163 WeakPolarHBondContact O-CG 3.5Å; P159-R163 PolarHBondContact O-N 3.26Å; E160-R163 PolarHBondContact O-N 3.01Å; I161-R163 PolarHBondContact O-N 3.14Å; R163-M165 PolarHBondContact O-N 2.9Å; R163-N166 PolarHBondContact O-N 2.56Å
164R68.4Low68.7Low111 Ų11166.8 Ų66.842%0.41932%0.323SS..Hα-helixtrans-59.8-31.1-178.7-73.7-174.8-176.4-146.59.1111.6E160 I161E160-R164 HydrophobicContact CG-CG 4.26Å; E160-R164 WeakPolarHBondContact O-CB 3.12Å; E160-R164 WeakPolarHBondContact O-CG 3.04Å; E160-R164 PolarHBondContact O-N 2.9Å; E160-R164 IonicContact OE1-CZ 3.4Å; E160-R164 IonicContact OE1-NE 2.79Å; E160-R164 PolarHBondContact OE1-NE 3.04Å; E160-R164 IonicContact OE1-NH2 3.07Å; E160-R164 PolarHBondContact OE1-NH2 2.91Å; I161-R164 PolarHBondContact O-N 2.87Å
165M65.4Low68.5Low4 Ų467.9 Ų67.92%0.0233%0.326CS..THydrogen-bonded Turntrans-880.1178.9-56.9-56.7-87.500114.4I161 R163 Y167 S168 F169 K183 L187I161-M165 HydrophobicContact CG2-CG 4.01Å; I161-M165 WeakPolarHBondContact O-CB 3.2Å; I161-M165 WeakPolarHBondContact O-CG 3.39Å; I161-M165 PolarHBondContact O-N 3.45Å; R163-M165 PolarHBondContact O-N 2.9Å; M165-Y167 VanDerWaalsContact C-N 3.25Å; M165-Y167 PolarHBondContact O-N 2.91Å; M165-S168 PolarHBondContact O-N 3.01Å; M165-F169 HydrophobicContact CB-CB 4.09Å; M165-F169 HydrophobicContact CE-CB 4.36Å; M165-F169 HydrophobicContact CE-CD2 3.19Å; M165-F169 HydrophobicContact CE-CE2 3.55Å; M165-F169 HydrophobicContact CE-CG 3.94Å; M165-F169 HydrophobicContact CG-CB 4.47Å; M165-K183 HydrophobicContact CE-CB 3.48Å; M165-K183 VanDerWaalsContact CE-CB 3.48Å; M165-K183 HydrophobicContact CE-CD 4.38Å; M165-K183 HydrophobicContact SD-CB 3.72Å; M165-L187 HydrophobicContact CE-CD1 3.93Å; M165-L187 HydrophobicContact CE-CG 4.5Å; M165-L187 HydrophobicContact CG-CD1 4.24Å; M165-L187 HydrophobicContact CG-CD2 4.47Å; M165-L187 HydrophobicContact SD-CD1 3.83Å; M165-L187 HydrophobicContact SD-CD2 4.01Å; M165-L187 HydrophobicContact SD-CG 3.96Å
166N68.2Low68.5Low124 Ų12468.3 Ų68.366%0.66333%0.333SS*.THydrogen-bonded Turntrans55.636.6175.4-151.123.9000113.6E162 R163 S168E162-N166 PolarHBondContact O-N 2.86Å; R163-N166 PolarHBondContact O-N 2.56Å; N166-S168 PolarHBondContact O-N 3.2Å; N166-S168 VanDerWaalsContact O-N 3.08Å
167Y66.1Low68.2Low185 Ų18568.1 Ų68.173%0.72533%0.327SS*.THydrogen-bonded Turntrans56.611.7-176.5-51.2-80.6000117E162 M165E162-Y167 PolarHBondContact O-N 3.35Å; M165-Y167 VanDerWaalsContact C-N 3.25Å; M165-Y167 PolarHBondContact O-N 2.91Å
168S65Low68Low60 Ų6071.8 Ų71.842%0.4234%0.339SS..  trans-111.232.1-176.266.30000115.2M165 N166 K183M165-S168 PolarHBondContact O-N 3.01Å; N166-S168 PolarHBondContact O-N 3.2Å; N166-S168 VanDerWaalsContact O-N 3.08Å; S168-K183 PolarHBondContact OG-NZ 2.94Å
169F65.4Low68Low36 Ų3675.9 Ų75.916%0.15836%0.357CS..  trans-92.4104.1-180-171.8-118.6000112.7M165 I171 L174 T180 L358 I362M165-F169 HydrophobicContact CB-CB 4.09Å; M165-F169 HydrophobicContact CE-CB 4.36Å; M165-F169 HydrophobicContact CE-CD2 3.19Å; M165-F169 HydrophobicContact CE-CE2 3.55Å; M165-F169 HydrophobicContact CE-CG 3.94Å; M165-F169 HydrophobicContact CG-CB 4.47Å; F169-I171 HydrophobicContact CD1-CB 4.43Å; F169-I171 HydrophobicContact CE1-CB 3.74Å; F169-I171 HydrophobicContact CE1-CD1 4.02Å; F169-I171 HydrophobicContact CE1-CG1 4.19Å; F169-I171 HydrophobicContact CZ-CB 3.86Å; F169-I171 HydrophobicContact CZ-CD1 3.85Å; F169-I171 HydrophobicContact CZ-CG1 3.92Å; F169-L174 HydrophobicContact CE2-CD1 3.95Å; F169-L174 HydrophobicContact CZ-CD1 4.28Å; F169-T180 HydrophobicContact CD2-CG2 3.52Å; F169-T180 HydrophobicContact CE2-CG2 3.59Å; F169-L358 HydrophobicContact CD1-CD1 4.16Å; F169-I362 HydrophobicContact CE1-CD1 4.41Å; F169-I362 HydrophobicContact CE1-CG1 4.36Å
170D70.1Confident68Low74 Ų7473.1 Ų73.140%0.39634%0.339SS..  trans-106.5100165.8-176.6-5.7000110.2K172 H173D170-K172 VanDerWaalsContact C-N 3.25Å; D170-K172 PolarHBondContact O-N 3.07Å; D170-K172 WeakPolarHBondContact OD1-CB 3.48Å; D170-K172 PolarHBondContact OD1-N 3.05Å; D170-H173 CarbonylContact O-C 3.58Å; D170-H173 PolarHBondContact O-N 3.35Å; D170-H173 VanDerWaalsContact O-N 3.13Å; D170-H173 IonicContact OD2-CD2 3.27Å; D170-H173 PolarHBondContact OD2-CD2 3.07Å
171I69.8Low68Low16 Ų1672.5 Ų72.58%0.08234%0.335CS..G310 helixtrans-70.2-18.3-179.2-161.8165.9000113.4F169 H173 L174 D361 I362 T365F169-I171 HydrophobicContact CD1-CB 4.43Å; F169-I171 HydrophobicContact CE1-CB 3.74Å; F169-I171 HydrophobicContact CE1-CD1 4.02Å; F169-I171 HydrophobicContact CE1-CG1 4.19Å; F169-I171 HydrophobicContact CZ-CB 3.86Å; F169-I171 HydrophobicContact CZ-CD1 3.85Å; F169-I171 HydrophobicContact CZ-CG1 3.92Å; I171-H173 PolarHBondContact O-N 3.23Å; I171-L174 HydrophobicContact CD1-CD2 4.36Å; I171-L174 HydrophobicContact CG1-CB 4.11Å; I171-L174 HydrophobicContact CG1-CD1 4.41Å; I171-L174 HydrophobicContact CG1-CD2 4.01Å; I171-L174 HydrophobicContact CG1-CG 4.42Å; I171-L174 VanDerWaalsContact O-CB 3.3Å; I171-L174 WeakPolarHBondContact O-CB 3.29Å; I171-L174 PolarHBondContact O-N 3.33Å; I171-L174 VanDerWaalsContact O-N 3.13Å; I171-D361 HydrophobicContact CG2-CB 4.01Å; I171-I362 HydrophobicContact CD1-CB 4.33Å; I171-I362 HydrophobicContact CD1-CG1 3.76Å; I171-I362 HydrophobicContact CD1-CG2 4.49Å; I171-I362 HydrophobicContact CG2-CG1 4.36Å; I171-T365 HydrophobicContact CG2-CG2 4.27Å
172K69.7Low68.1Low96 Ų9672.6 Ų72.642%0.41734%0.337SS..G310 helixtrans-69.6-14.7172.6-68.8160.5176.5153.90112.1D170 D361 T365D170-K172 VanDerWaalsContact C-N 3.25Å; D170-K172 PolarHBondContact O-N 3.07Å; D170-K172 WeakPolarHBondContact OD1-CB 3.48Å; D170-K172 PolarHBondContact OD1-N 3.05Å; K172-D361 VanDerWaalsContact CE-CG 3.44Å; K172-D361 VanDerWaalsContact CE-OD1 3.22Å; K172-D361 WeakPolarHBondContact CE-OD1 3.47Å; K172-D361 WeakPolarHBondContact CE-OD2 3.35Å; K172-D361 IonicContact NZ-OD1 3.89Å; K172-D361 PolarHBondContact NZ-OD1 3.19Å; K172-D361 IonicContact NZ-OD2 3.21Å; K172-D361 PolarHBondContact NZ-OD2 3.12Å; K172-T365 HydrophobicContact CG-CG2 4.06Å
173H68.2Low68.3Low68 Ų6871.9 Ų71.932%0.31533%0.333SS..G310 helixtrans-11421.1172.4-77.4-90000113.1D170 I171 F175 S176 N177D170-H173 CarbonylContact O-C 3.58Å; D170-H173 PolarHBondContact O-N 3.35Å; D170-H173 VanDerWaalsContact O-N 3.13Å; D170-H173 IonicContact OD2-CD2 3.27Å; D170-H173 PolarHBondContact OD2-CD2 3.07Å; I171-H173 PolarHBondContact O-N 3.23Å; H173-F175 VanDerWaalsContact C-N 3.32Å; H173-F175 PolarHBondContact O-N 3.33Å; H173-F175 VanDerWaalsContact O-N 3.14Å; H173-S176 PolarHBondContact ND1-OG 2.9Å; H173-S176 VanDerWaalsContact ND1-OG 3.11Å; H173-S176 CarbonylContact O-C 3.54Å; H173-S176 WeakPolarHBondContact O-CA 3.44Å; H173-S176 PolarHBondContact O-N 3.21Å; H173-N177 HydrophobicContact CB-CB 4.42Å; H173-N177 PolarHBondContact O-N 2.68Å
174L66.1Low68.4Low17 Ų1764.5 Ų64.59%0.08931%0.307CS..THydrogen-bonded Turntrans-48.9-44.4-174.2-173.461.3000115F169 I171 T180 L184F169-L174 HydrophobicContact CE2-CD1 3.95Å; F169-L174 HydrophobicContact CZ-CD1 4.28Å; I171-L174 HydrophobicContact CD1-CD2 4.36Å; I171-L174 HydrophobicContact CG1-CB 4.11Å; I171-L174 HydrophobicContact CG1-CD1 4.41Å; I171-L174 HydrophobicContact CG1-CD2 4.01Å; I171-L174 HydrophobicContact CG1-CG 4.42Å; I171-L174 VanDerWaalsContact O-CB 3.3Å; I171-L174 WeakPolarHBondContact O-CB 3.29Å; I171-L174 PolarHBondContact O-N 3.33Å; I171-L174 VanDerWaalsContact O-N 3.13Å; L174-T180 HydrophobicContact CD1-CG2 3.84Å; L174-L184 HydrophobicContact CD1-CB 4.29Å; L174-L184 HydrophobicContact CD1-CD1 4.27Å; L174-L184 HydrophobicContact CD1-CD2 4.03Å; L174-L184 HydrophobicContact CD1-CG 4.42Å; L174-L184 HydrophobicContact CD2-CD2 4.04Å; L174-L184 HydrophobicContact CG-CD2 4.29Å
175F66.1Low68.8Low71 Ų7159.2 Ų59.231%0.31129%0.287SS..THydrogen-bonded Turntrans-97-2.2178.2-60.3-83.6000113.7H173 F181 L246 V250 L369H173-F175 VanDerWaalsContact C-N 3.32Å; H173-F175 PolarHBondContact O-N 3.33Å; H173-F175 VanDerWaalsContact O-N 3.14Å; F175-F181 HydrophobicContact CD1-CD2 4Å; F175-F181 AromaticContact CD1-CE2 3.99Å; F175-F181 HydrophobicContact CD1-CE2 3.99Å; F175-F181 HydrophobicContact CE1-CD2 4.23Å; F175-F181 AromaticContact CE1-CE2 3.89Å; F175-F181 HydrophobicContact CE1-CE2 3.89Å; F175-L246 HydrophobicContact CB-CD1 3.95Å; F175-L246 HydrophobicContact CD2-CD1 3.48Å; F175-L246 VanDerWaalsContact CD2-CD1 3.48Å; F175-L246 HydrophobicContact CE2-CD1 4.18Å; F175-L246 HydrophobicContact CG-CD1 3.87Å; F175-V250 HydrophobicContact CB-CG2 3.82Å; F175-V250 HydrophobicContact CG-CG2 4.5Å; F175-L369 HydrophobicContact CE2-CD1 3.99Å; F175-L369 HydrophobicContact CE2-CD2 4.08Å; F175-L369 HydrophobicContact CZ-CD1 4.35Å; F175-L369 HydrophobicContact CZ-CD2 4.17Å
176S64.1Low69.4Low62 Ų6260.7 Ų60.743%0.43430%0.296SS..THydrogen-bonded Turntrans-100.4-29.6-179.5162.50000112.1H173H173-S176 PolarHBondContact ND1-OG 2.9Å; H173-S176 VanDerWaalsContact ND1-OG 3.11Å; H173-S176 CarbonylContact O-C 3.54Å; H173-S176 WeakPolarHBondContact O-CA 3.44Å; H173-S176 PolarHBondContact O-N 3.21Å
177N65.8Low69.9Low69 Ų6955.1 Ų55.137%0.36927%0.266SS..  trans-106.6111.3175.8-177.9-3.4000110.3H173 E179 T180 F181H173-N177 HydrophobicContact CB-CB 4.42Å; H173-N177 PolarHBondContact O-N 2.68Å; N177-E179 VanDerWaalsContact C-N 3.29Å; N177-E179 PolarHBondContact O-N 2.86Å; N177-E179 PolarHBondContact OD1-N 2.8Å; N177-E179 VanDerWaalsContact OD1-N 3.1Å; N177-T180 WeakPolarHBondContact CB-OG1 3.22Å; N177-T180 VanDerWaalsContact CG-OG1 3.26Å; N177-T180 PolarHBondContact ND2-OG1 3.47Å; N177-T180 VanDerWaalsContact ND2-OG1 3.12Å; N177-T180 WeakPolarHBondContact O-CB 3.37Å; N177-T180 PolarHBondContact O-N 3.3Å; N177-F181 PolarHBondContact O-N 3.46Å; N177-F181 VanDerWaalsContact O-N 3.09Å
178R64.1Low70.5Confident94 Ų9447.6 Ų47.636%0.35524%0.238SC..Hα-helixtrans-53.1-39.6179170.9173.8161.4174-8.6113.8T180 F181 V182 N195 T196 D197R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 2.94Å; R178-F181 PolarHBondContact O-N 3.48Å; R178-V182 HydrophobicContact CG-CG2 4.34Å; R178-V182 WeakPolarHBondContact O-CB 3.21Å; R178-V182 VanDerWaalsContact O-CG2 3.27Å; R178-V182 WeakPolarHBondContact O-CG2 3.4Å; R178-V182 PolarHBondContact O-N 3.31Å; R178-N195 VanDerWaalsContact CZ-OD1 3.3Å; R178-N195 PolarHBondContact NE-OD1 2.85Å; R178-N195 PolarHBondContact NH2-OD1 2.85Å; R178-T196 PolarHBondContact NH1-OG1 3.22Å; R178-D197 IonicContact CZ-OD1 3.17Å; R178-D197 IonicContact CZ-OD2 3.2Å; R178-D197 IonicContact NH1-OD1 2.77Å; R178-D197 PolarHBondContact NH1-OD1 3.44Å; R178-D197 IonicContact NH1-OD2 2.68Å; R178-D197 PolarHBondContact NH1-OD2 2.89Å; R178-D197 IonicContact NH2-OD1 2.69Å; R178-D197 IonicContact NH2-OD2 2.88Å; R178-D197 PolarHBondContact NH2-OD2 2.84Å
179E68.8Low71.2Confident113 Ų11345 Ų4553%0.52822%0.22SC..Hα-helixtrans-64.4-39.4176.8-79.2-164.6-15400111.9N177 K183N177-E179 VanDerWaalsContact C-N 3.29Å; N177-E179 PolarHBondContact O-N 2.86Å; N177-E179 PolarHBondContact OD1-N 2.8Å; N177-E179 VanDerWaalsContact OD1-N 3.1Å; E179-K183 WeakPolarHBondContact O-CB 3.18Å; E179-K183 WeakPolarHBondContact O-CD 3.46Å; E179-K183 WeakPolarHBondContact O-CG 3.24Å; E179-K183 PolarHBondContact O-N 3.21Å; E179-K183 IonicContact OE2-NZ 3.69Å; E179-K183 PolarHBondContact OE2-NZ 2.94Å
180T69.7Low71.8Confident1 Ų144.1 Ų44.11%0.00622%0.221CC..Hα-helixtrans-66.5-40.1-179.5-47.90000110.6F169 L174 N177 R178 L184F169-T180 HydrophobicContact CD2-CG2 3.52Å; F169-T180 HydrophobicContact CE2-CG2 3.59Å; L174-T180 HydrophobicContact CD1-CG2 3.84Å; N177-T180 WeakPolarHBondContact CB-OG1 3.22Å; N177-T180 VanDerWaalsContact CG-OG1 3.26Å; N177-T180 PolarHBondContact ND2-OG1 3.47Å; N177-T180 VanDerWaalsContact ND2-OG1 3.12Å; N177-T180 WeakPolarHBondContact O-CB 3.37Å; N177-T180 PolarHBondContact O-N 3.3Å; R178-T180 VanDerWaalsContact C-N 3.31Å; R178-T180 PolarHBondContact O-N 2.94Å; T180-L184 PolarHBondContact O-N 3.05Å; T180-L184 VanDerWaalsContact O-N 3.12Å
181F72.4Confident72Confident63 Ų6342.5 Ų42.528%0.27621%0.211SC..Hα-helixtrans-67.2-49.6173.3-171.2-99.2000112.9F175 N177 R178 K183 L184 F193F175-F181 HydrophobicContact CD1-CD2 4Å; F175-F181 AromaticContact CD1-CE2 3.99Å; F175-F181 HydrophobicContact CD1-CE2 3.99Å; F175-F181 HydrophobicContact CE1-CD2 4.23Å; F175-F181 AromaticContact CE1-CE2 3.89Å; F175-F181 HydrophobicContact CE1-CE2 3.89Å; N177-F181 PolarHBondContact O-N 3.46Å; N177-F181 VanDerWaalsContact O-N 3.09Å; R178-F181 PolarHBondContact O-N 3.48Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.38Å; F181-L184 VanDerWaalsContact O-CB 3.28Å; F181-L184 WeakPolarHBondContact O-CB 3.38Å; F181-L184 PolarHBondContact O-N 3.21Å; F181-F193 HydrophobicContact CD1-CB 4.42Å; F181-F193 HydrophobicContact CD1-CD2 4.36Å; F181-F193 HydrophobicContact CE1-CB 4.13Å; F181-F193 AromaticContact CE1-CD2 3.95Å; F181-F193 HydrophobicContact CE1-CD2 3.95Å; F181-F193 HydrophobicContact CE1-CG 4.35Å; F181-F193 HydrophobicContact CE2-CD2 4.4Å; F181-F193 AromaticContact CZ-CD2 3.97Å; F181-F193 HydrophobicContact CZ-CD2 3.97Å; F181-F193 HydrophobicContact CZ-CE2 4.42Å; F181-F193 WeakPolarHBondContact O-CD2 3.41Å
182V70.5Confident72.2Confident24 Ų2445.1 Ų45.115%0.14523%0.229CC..Hα-helixtrans-55.5-44.1177.6162.40000111.4R178 P192 F193R178-V182 HydrophobicContact CG-CG2 4.34Å; R178-V182 WeakPolarHBondContact O-CB 3.21Å; R178-V182 VanDerWaalsContact O-CG2 3.27Å; R178-V182 WeakPolarHBondContact O-CG2 3.4Å; R178-V182 PolarHBondContact O-N 3.31Å; V182-P192 HydrophobicContact CG1-CB 4.13Å; V182-P192 WeakPolarHBondContact O-CA 3.29Å; V182-F193 WeakPolarHBondContact CG1-O 3.33Å; V182-F193 PolarHBondContact O-N 3.23Å
183K75.2Confident72.2Confident41 Ų4141.4 Ų41.418%0.17821%0.213CC..Hα-helixtrans-70-27.1177.4-68.3167.5-170.9160.70113.3M165 S168 E179 F181 G185 V186M165-K183 HydrophobicContact CE-CB 3.48Å; M165-K183 VanDerWaalsContact CE-CB 3.48Å; M165-K183 HydrophobicContact CE-CD 4.38Å; M165-K183 HydrophobicContact SD-CB 3.72Å; S168-K183 PolarHBondContact OG-NZ 2.94Å; E179-K183 WeakPolarHBondContact O-CB 3.18Å; E179-K183 WeakPolarHBondContact O-CD 3.46Å; E179-K183 WeakPolarHBondContact O-CG 3.24Å; E179-K183 PolarHBondContact O-N 3.21Å; E179-K183 IonicContact OE2-NZ 3.69Å; E179-K183 PolarHBondContact OE2-NZ 2.94Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.38Å; K183-G185 VanDerWaalsContact C-N 3.25Å; K183-G185 PolarHBondContact O-N 3.24Å; K183-V186 WeakPolarHBondContact O-CB 3.42Å; K183-V186 PolarHBondContact O-N 3.41Å
184L76.7Confident71.7Confident25 Ų2539.5 Ų39.513%0.13121%0.207CC..Hα-helixtrans-59.4-36.4177.4-176.169.6000112L174 T180 F181 V186 L187 L188 F193L174-L184 HydrophobicContact CD1-CB 4.29Å; L174-L184 HydrophobicContact CD1-CD1 4.27Å; L174-L184 HydrophobicContact CD1-CD2 4.03Å; L174-L184 HydrophobicContact CD1-CG 4.42Å; L174-L184 HydrophobicContact CD2-CD2 4.04Å; L174-L184 HydrophobicContact CG-CD2 4.29Å; T180-L184 PolarHBondContact O-N 3.05Å; T180-L184 VanDerWaalsContact O-N 3.12Å; F181-L184 VanDerWaalsContact O-CB 3.28Å; F181-L184 WeakPolarHBondContact O-CB 3.38Å; F181-L184 PolarHBondContact O-N 3.21Å; L184-V186 VanDerWaalsContact C-N 3.26Å; L184-V186 PolarHBondContact O-N 2.86Å; L184-L187 WeakPolarHBondContact O-CA 3.45Å; L184-L187 WeakPolarHBondContact O-CB 3.49Å; L184-L187 PolarHBondContact O-N 2.89Å; L184-L188 HydrophobicContact CD1-CD1 4.3Å; L184-L188 HydrophobicContact CD1-CG 4.44Å; L184-L188 HydrophobicContact CD2-CD1 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.76Å; L184-L188 HydrophobicContact CG-CG 4.26Å; L184-L188 PolarHBondContact O-N 2.71Å; L184-F193 HydrophobicContact CB-CD2 4.45Å; L184-F193 HydrophobicContact CB-CE2 4.32Å; L184-F193 HydrophobicContact CD2-CE2 4.22Å; L184-F193 HydrophobicContact CG-CE2 4.28Å
185G77.1Confident71.2Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-57.8-39.1174.800000112.5K183 L187 L188 C189 G190 H191K183-G185 VanDerWaalsContact C-N 3.25Å; K183-G185 PolarHBondContact O-N 3.24Å; G185-L187 PolarHBondContact O-N 3.21Å; G185-L187 VanDerWaalsContact O-N 3.15Å; G185-L188 PolarHBondContact O-N 3.15Å; G185-C189 WeakPolarHBondContact O-CA 3.38Å; G185-C189 PolarHBondContact O-N 3.12Å; G185-G190 PolarHBondContact O-N 2.92Å; G185-H191 CarbonylContact C-O 3.56Å; G185-H191 WeakPolarHBondContact CA-O 3.44Å
186V78.8Confident70.6Confident36 Ų3639.9 Ų39.922%0.21821%0.213CC..Hα-helixtrans-60.2-29.1177-170.80000111.3P101 K183 L184 G190 H191 P192P101-V186 WeakPolarHBondContact CD-O 3.29Å; K183-V186 WeakPolarHBondContact O-CB 3.42Å; K183-V186 PolarHBondContact O-N 3.41Å; L184-V186 VanDerWaalsContact C-N 3.26Å; L184-V186 PolarHBondContact O-N 2.86Å; V186-G190 WeakPolarHBondContact O-CA 3.36Å; V186-H191 PolarHBondContact N-O 3.11Å; V186-H191 VanDerWaalsContact N-O 3.14Å; V186-P192 HydrophobicContact CG2-CB 3.78Å
187L77.9Confident69.7Low6 Ų640.3 Ų40.33%0.03121%0.211CC..Hα-helixtrans-84.2-38.7177.7-54.2-174.6000112.8P101 L102 I161 M165 L184 G185P101-L187 WeakPolarHBondContact CD-O 3.29Å; P101-L187 HydrophobicContact CG-CD2 4.25Å; L102-L187 WeakPolarHBondContact CB-O 3.18Å; L102-L187 HydrophobicContact CD1-CB 3.83Å; L102-L187 HydrophobicContact CG-CB 4.32Å; L102-L187 WeakPolarHBondContact CG-O 3.48Å; L102-L187 PolarHBondContact N-O 3.12Å; I161-L187 HydrophobicContact CG1-CD2 4.17Å; I161-L187 HydrophobicContact CG2-CD1 4.01Å; I161-L187 HydrophobicContact CG2-CD2 4.31Å; M165-L187 HydrophobicContact CE-CD1 3.93Å; M165-L187 HydrophobicContact CE-CG 4.5Å; M165-L187 HydrophobicContact CG-CD1 4.24Å; M165-L187 HydrophobicContact CG-CD2 4.47Å; M165-L187 HydrophobicContact SD-CD1 3.83Å; M165-L187 HydrophobicContact SD-CD2 4.01Å; M165-L187 HydrophobicContact SD-CG 3.96Å; L184-L187 WeakPolarHBondContact O-CA 3.45Å; L184-L187 WeakPolarHBondContact O-CB 3.49Å; L184-L187 PolarHBondContact O-N 2.89Å; G185-L187 PolarHBondContact O-N 3.21Å; G185-L187 VanDerWaalsContact O-N 3.15Å
188L78.3Confident68.9Low28 Ų2841.1 Ų41.115%0.14722%0.218CC..Hα-helixtrans-86-33.5-175.5-73.7174.7000114.5F75 A100 L102 L184 G185 F193F75-L188 HydrophobicContact CD1-CD2 4.33Å; F75-L188 HydrophobicContact CE1-CD2 3.86Å; A100-L188 WeakPolarHBondContact CB-O 3.35Å; L102-L188 HydrophobicContact CD1-CD2 3.64Å; L102-L188 HydrophobicContact CD1-CG 4.15Å; L184-L188 HydrophobicContact CD1-CD1 4.3Å; L184-L188 HydrophobicContact CD1-CG 4.44Å; L184-L188 HydrophobicContact CD2-CD1 3.91Å; L184-L188 HydrophobicContact CG-CD1 3.76Å; L184-L188 HydrophobicContact CG-CG 4.26Å; L184-L188 PolarHBondContact O-N 2.71Å; G185-L188 PolarHBondContact O-N 3.15Å; L188-F193 HydrophobicContact CB-CZ 4.42Å; L188-F193 HydrophobicContact CD1-CE2 4.13Å; L188-F193 HydrophobicContact CD1-CZ 3.96Å
189C80.3Confident68.2Low5 Ų538.4 Ų38.43%0.03421%0.21CC..THydrogen-bonded Turntrans-132.6-1-167.5-51.80000113.2C79 W97 G185 H191C79-C189 WeakPolarHBondContact CA-SG 3.42Å; C79-C189 HydrophobicContact CB-CB 3.68Å; C79-C189 WeakPolarHBondContact CB-SG 3.34Å; C79-C189 VanDerWaalsContact SG-CA 3.53Å; C79-C189 WeakPolarHBondContact SG-CB 3.32Å; C79-C189 CovalentContact SG-SG 2.04Å; C79-C189 PolarHBondContact SG-SG 3.16Å; W97-C189 HydrophobicContact CE3-CB 4.48Å; G185-C189 WeakPolarHBondContact O-CA 3.38Å; G185-C189 PolarHBondContact O-N 3.12Å; C189-H191 PolarHBondContact O-CD2 3.29Å; C189-H191 VanDerWaalsContact O-CD2 3.29Å; C189-H191 PolarHBondContact O-N 2.97Å; C189-H191 VanDerWaalsContact O-N 3.09Å
190G77.1Confident67Low17 Ų1737 Ų3718%0.17521%0.21CC..SBendtrans80.6-31.7-177.600000114.1G185 V186G185-G190 PolarHBondContact O-N 2.92Å; V186-G190 WeakPolarHBondContact O-CA 3.36Å
191H75.9Confident65.8Low41 Ų4138.6 Ų38.619%0.1922%0.219CC..SBendtrans-101.5147.617463.285000111.9E82 W97 G185 V186 C189E82-H191 IonicContact OE1-CE1 3.36Å; W97-H191 AromaticContact CZ3-CD2 3.9Å; W97-H191 AromaticContact CZ3-NE2 3.64Å; G185-H191 CarbonylContact C-O 3.56Å; G185-H191 WeakPolarHBondContact CA-O 3.44Å; V186-H191 PolarHBondContact N-O 3.11Å; V186-H191 VanDerWaalsContact N-O 3.14Å; C189-H191 PolarHBondContact O-CD2 3.29Å; C189-H191 VanDerWaalsContact O-CD2 3.29Å; C189-H191 PolarHBondContact O-N 2.97Å; C189-H191 VanDerWaalsContact O-N 3.09Å
192P73.1Confident64.5Low71 Ų7135.6 Ų35.646%0.46121%0.206SC..PPolyproline II helixtrans-59.3147174.826.5-34.5000111V182 V186V182-P192 HydrophobicContact CG1-CB 4.13Å; V182-P192 WeakPolarHBondContact O-CA 3.29Å; V186-P192 HydrophobicContact CG2-CB 3.78Å
193F70.5Confident63.1Low18 Ų1838.3 Ų38.38%0.07922%0.219CC..PPolyproline II helixtrans-68.3145.6163.4-68.7-36.2000108.4I78 F181 V182 L184 L188I78-F193 HydrophobicContact CG2-CE1 4.29Å; I78-F193 HydrophobicContact CG2-CZ 3.88Å; F181-F193 HydrophobicContact CD1-CB 4.42Å; F181-F193 HydrophobicContact CD1-CD2 4.36Å; F181-F193 HydrophobicContact CE1-CB 4.13Å; F181-F193 AromaticContact CE1-CD2 3.95Å; F181-F193 HydrophobicContact CE1-CD2 3.95Å; F181-F193 HydrophobicContact CE1-CG 4.35Å; F181-F193 HydrophobicContact CE2-CD2 4.4Å; F181-F193 AromaticContact CZ-CD2 3.97Å; F181-F193 HydrophobicContact CZ-CD2 3.97Å; F181-F193 HydrophobicContact CZ-CE2 4.42Å; F181-F193 WeakPolarHBondContact O-CD2 3.41Å; V182-F193 WeakPolarHBondContact CG1-O 3.33Å; V182-F193 PolarHBondContact O-N 3.23Å; L184-F193 HydrophobicContact CB-CD2 4.45Å; L184-F193 HydrophobicContact CB-CE2 4.32Å; L184-F193 HydrophobicContact CD2-CE2 4.22Å; L184-F193 HydrophobicContact CG-CE2 4.28Å; L188-F193 HydrophobicContact CB-CZ 4.42Å; L188-F193 HydrophobicContact CD1-CE2 4.13Å; L188-F193 HydrophobicContact CD1-CZ 3.96Å
194P57.7Low61.7Low28 Ų2841.9 Ų41.918%0.18224%0.237CC..PPolyproline II helixtrans-60.6147.8-174.623.5-35.3000110.8E82 T196 I199E82-P194 HydrophobicContact CG-CG 3.94Å; E82-P194 WeakPolarHBondContact OE1-CD 3.34Å; E82-P194 WeakPolarHBondContact OE2-CD 3.21Å; P194-T196 PolarHBondContact O-N 3.16Å; P194-I199 HydrophobicContact CB-CG1 4.12Å; P194-I199 HydrophobicContact CG-CD1 4.28Å; P194-I199 HydrophobicContact CG-CG1 3.89Å
195N55.2Low60.3Low67 Ų6742.8 Ų42.836%0.35824%0.241SC..PPolyproline II helixtrans-55.8141.3164.9-94.6-63.8000108.4R178 D197 T198 I199R178-N195 VanDerWaalsContact CZ-OD1 3.3Å; R178-N195 PolarHBondContact NE-OD1 2.85Å; R178-N195 PolarHBondContact NH2-OD1 2.85Å; N195-D197 PolarHBondContact O-N 2.81Å; N195-D197 VanDerWaalsContact O-N 3.14Å; N195-T198 WeakPolarHBondContact CA-OG1 3.14Å; N195-T198 HydrophobicContact CB-CG2 4.18Å; N195-T198 WeakPolarHBondContact CB-OG1 3.47Å; N195-T198 PolarHBondContact N-OG1 3.44Å; N195-T198 VanDerWaalsContact N-OG1 3.13Å; N195-T198 WeakPolarHBondContact O-CA 3.33Å; N195-T198 PolarHBondContact O-N 3.1Å; N195-T198 PolarHBondContact O-OG1 3.15Å; N195-I199 WeakPolarHBondContact O-CG1 3.46Å; N195-I199 PolarHBondContact O-N 2.65Å
196T52.6Low58.6Low28 Ų2846.4 Ų46.417%0.17226%0.26CS..G310 helixtrans-61.3-27.7-176.951.20000112.6R178 P194 T198 V202 Q255R178-T196 PolarHBondContact NH1-OG1 3.22Å; P194-T196 PolarHBondContact O-N 3.16Å; T196-T198 VanDerWaalsContact C-N 3.28Å; T196-T198 PolarHBondContact O-N 3.4Å; T196-V202 WeakPolarHBondContact O-CB 3.18Å; T196-V202 VanDerWaalsContact O-CG1 3.31Å; T196-V202 WeakPolarHBondContact O-CG1 3.34Å; T196-Q255 PolarHBondContact OG1-OE1 2.83Å
197D45.8Very low57.1Low72 Ų7253.7 Ų53.739%0.38529%0.292SS..G310 helixtrans-77.9-5.3172.9-40.9-24.5000114.2R178 N195 N203 Q255R178-D197 IonicContact CZ-OD1 3.17Å; R178-D197 IonicContact CZ-OD2 3.2Å; R178-D197 IonicContact NH1-OD1 2.77Å; R178-D197 PolarHBondContact NH1-OD1 3.44Å; R178-D197 IonicContact NH1-OD2 2.68Å; R178-D197 PolarHBondContact NH1-OD2 2.89Å; R178-D197 IonicContact NH2-OD1 2.69Å; R178-D197 IonicContact NH2-OD2 2.88Å; R178-D197 PolarHBondContact NH2-OD2 2.84Å; N195-D197 PolarHBondContact O-N 2.81Å; N195-D197 VanDerWaalsContact O-N 3.14Å; D197-N203 PolarHBondContact O-ND2 3.47Å; D197-N203 PolarHBondContact O-OD1 2.97Å; D197-Q255 PolarHBondContact OD1-NE2 3.29Å
198T48.7Very low55.7Low86 Ų8657 Ų5753%0.52832%0.316SS..G310 helixtrans-111.4-3179.954.80000113.3N195 T196 P200N195-T198 WeakPolarHBondContact CA-OG1 3.14Å; N195-T198 HydrophobicContact CB-CG2 4.18Å; N195-T198 WeakPolarHBondContact CB-OG1 3.47Å; N195-T198 PolarHBondContact N-OG1 3.44Å; N195-T198 VanDerWaalsContact N-OG1 3.13Å; N195-T198 WeakPolarHBondContact O-CA 3.33Å; N195-T198 PolarHBondContact O-N 3.1Å; N195-T198 PolarHBondContact O-OG1 3.15Å; T196-T198 VanDerWaalsContact C-N 3.28Å; T196-T198 PolarHBondContact O-N 3.4Å; T198-P200 WeakPolarHBondContact O-CD 3.5Å
199I49Very low54.5Low36 Ų3660.5 Ų60.519%0.18533%0.331CS..  trans-77.7122172.6-35.6-178.9000107.8P194 N195 L201 V202 N203P194-I199 HydrophobicContact CB-CG1 4.12Å; P194-I199 HydrophobicContact CG-CD1 4.28Å; P194-I199 HydrophobicContact CG-CG1 3.89Å; N195-I199 WeakPolarHBondContact O-CG1 3.46Å; N195-I199 PolarHBondContact O-N 2.65Å; I199-L201 HydrophobicContact CB-CB 4.45Å; I199-L201 HydrophobicContact CG2-CB 3.71Å; I199-L201 HydrophobicContact CG2-CD2 4.43Å; I199-L201 PolarHBondContact O-N 3.49Å; I199-V202 HydrophobicContact CB-CB 4.32Å; I199-V202 HydrophobicContact CB-CG2 4.06Å; I199-V202 HydrophobicContact CD1-CG2 4.21Å; I199-V202 HydrophobicContact CG1-CG2 4.44Å; I199-V202 PolarHBondContact O-N 3.17Å; I199-N203 PolarHBondContact O-N 3.14Å
200P45Very low52.7Low83 Ų8366.6 Ų66.654%0.53936%0.363SS..Hα-helixtrans-57.1-39179.2-26.535.8000112.5T198 V202 N203 E204T198-P200 WeakPolarHBondContact O-CD 3.5Å; P200-V202 PolarHBondContact O-N 2.66Å; P200-N203 PolarHBondContact O-N 2.78Å; P200-E204 PolarHBondContact O-N 2.9Å
201L43.7Very low51.5Low35 Ų3567.8 Ų67.818%0.18336%0.364CS..Hα-helixtrans-41.1-37.6168.217767.1000114.2I199 I205 L258 V445I199-L201 HydrophobicContact CB-CB 4.45Å; I199-L201 HydrophobicContact CG2-CB 3.71Å; I199-L201 HydrophobicContact CG2-CD2 4.43Å; I199-L201 PolarHBondContact O-N 3.49Å; L201-I205 HydrophobicContact CD1-CD1 4.4Å; L201-L258 HydrophobicContact CG-CD2 4.44Å; L201-L258 WeakPolarHBondContact O-CD2 3.35Å; L201-V445 HydrophobicContact CB-CG2 3.75Å; L201-V445 HydrophobicContact CD1-CB 4.45Å; L201-V445 HydrophobicContact CD1-CG1 3.93Å; L201-V445 HydrophobicContact CD1-CG2 3.91Å; L201-V445 HydrophobicContact CG-CG2 4.45Å
202V45.8Very low50.3Low1 Ų169.7 Ų69.71%0.00638%0.382CS..Hα-helixtrans-91.3-43.3-173.2170.80000110.8T196 I199 P200 I205 L206 Q255T196-V202 WeakPolarHBondContact O-CB 3.18Å; T196-V202 VanDerWaalsContact O-CG1 3.31Å; T196-V202 WeakPolarHBondContact O-CG1 3.34Å; I199-V202 HydrophobicContact CB-CB 4.32Å; I199-V202 HydrophobicContact CB-CG2 4.06Å; I199-V202 HydrophobicContact CD1-CG2 4.21Å; I199-V202 HydrophobicContact CG1-CG2 4.44Å; I199-V202 PolarHBondContact O-N 3.17Å; P200-V202 PolarHBondContact O-N 2.66Å; V202-I205 PolarHBondContact O-N 3.3Å; V202-L206 HydrophobicContact CG1-CD1 3.54Å; V202-L206 HydrophobicContact CG1-CG 4.06Å; V202-L206 VanDerWaalsContact O-CB 3.29Å; V202-L206 WeakPolarHBondContact O-CB 3.28Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 3.13Å; V202-Q255 HydrophobicContact CG1-CB 3.98Å; V202-Q255 HydrophobicContact CG1-CG 3.54Å; V202-Q255 HydrophobicContact CG2-CB 4.36Å
203N41.7Very low49.4Very low80 Ų8074 Ų7443%0.42840%0.396SS..Hα-helixtrans-72.5-37.9-178-71.3-15.8000113.2D197 I199 P200 I205D197-N203 PolarHBondContact O-ND2 3.47Å; D197-N203 PolarHBondContact O-OD1 2.97Å; I199-N203 PolarHBondContact O-N 3.14Å; P200-N203 PolarHBondContact O-N 2.78Å; N203-I205 PolarHBondContact O-N 3.06Å
204E45.3Very low48.7Very low117 Ų11776.2 Ų76.255%0.54742%0.417SS..Hα-helixtrans-69.8-16.1178-67.5-171.9128.900113.2P200P200-E204 PolarHBondContact O-N 2.9Å
205I46.3Very low48.9Very low43 Ų4378.1 Ų78.122%0.22143%0.426CS..Hα-helixtrans-111.1-17.7-177.7-60.2179000112L201 V202 N203 E207 S208 F211 L258 V445L201-I205 HydrophobicContact CD1-CD1 4.4Å; V202-I205 PolarHBondContact O-N 3.3Å; N203-I205 PolarHBondContact O-N 3.06Å; I205-E207 PolarHBondContact O-N 2.83Å; I205-S208 PolarHBondContact O-N 3.14Å; I205-S208 PolarHBondContact O-OG 2.76Å; I205-F211 HydrophobicContact CG2-CE2 4.26Å; I205-L258 HydrophobicContact CB-CD2 3.76Å; I205-L258 HydrophobicContact CD1-CD1 4.17Å; I205-L258 HydrophobicContact CD1-CD2 4Å; I205-L258 HydrophobicContact CG1-CD2 4.42Å; I205-L258 HydrophobicContact CG2-CD1 3.9Å; I205-L258 HydrophobicContact CG2-CD2 3.66Å; I205-L258 HydrophobicContact CG2-CG 4.4Å; I205-V445 HydrophobicContact CD1-CG1 4.28Å
206L41.3Very low49.4Very low76 Ų7680.1 Ų80.140%0.39844%0.437SS..Hα-helixtrans-70.1-17.3169.4-83173.7000113.7V202 S208 N254 Q255V202-L206 HydrophobicContact CG1-CD1 3.54Å; V202-L206 HydrophobicContact CG1-CG 4.06Å; V202-L206 VanDerWaalsContact O-CB 3.29Å; V202-L206 WeakPolarHBondContact O-CB 3.28Å; V202-L206 WeakPolarHBondContact O-CG 3.4Å; V202-L206 PolarHBondContact O-N 3.13Å; L206-S208 VanDerWaalsContact C-N 3.35Å; L206-N254 HydrophobicContact CD2-CB 3.91Å; L206-Q255 HydrophobicContact CD1-CG 4.34Å
207E49.1Very low49.8Very low190 Ų19081.8 Ų81.889%0.88845%0.453SS*.THydrogen-bonded Turntrans-82.6-3.9172.3-67.5-161.9151.500113.6I205I205-E207 PolarHBondContact O-N 2.83Å
208S47.9Very low50.7Low76 Ų7679 Ų7953%0.53144%0.438SS..THydrogen-bonded Turntrans-114.6-35.7-167.663.40000118.4I205 L206I205-S208 PolarHBondContact O-N 3.14Å; I205-S208 PolarHBondContact O-OG 2.76Å; L206-S208 VanDerWaalsContact C-N 3.35Å
209E52.5Low51.4Low101 Ų10175.3 Ų75.347%0.47242%0.415SS..  trans-145.5137.5179.9-72.9-166.7159.500114.5F211E209-F211 HydrophobicContact CB-CD1 4.47Å; E209-F211 HydrophobicContact CB-CD2 4.25Å; E209-F211 HydrophobicContact CB-CE1 3.99Å; E209-F211 HydrophobicContact CB-CE2 3.74Å; E209-F211 HydrophobicContact CB-CZ 3.6Å; E209-F211 HydrophobicContact CG-CZ 4.36Å; E209-F211 VanDerWaalsContact O-CD2 3.28Å; E209-F211 WeakPolarHBondContact O-CD2 3.36Å; E209-F211 PolarHBondContact O-N 2.95Å; E209-F211 VanDerWaalsContact O-N 3.1Å; E209-F211 WeakPolarHBondContact OE2-CE1 3.23Å; E209-F211 VanDerWaalsContact OE2-CZ 3.26Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.32Å
210D43.5Very low52.2Low132 Ų13278 Ų7871%0.70643%0.43SS*.  trans-84.678.9178.8-173.29.3000112S212D210-S212 PolarHBondContact O-N 2.91Å; D210-S212 PolarHBondContact OD1-OG 2.87Å
211F52Low53Low42 Ų4275.4 Ų75.418%0.18442%0.415CS..  trans-67.114.2-173.2-69.4-65.6000116.8I205 E209 Q213 K257I205-F211 HydrophobicContact CG2-CE2 4.26Å; E209-F211 HydrophobicContact CB-CD1 4.47Å; E209-F211 HydrophobicContact CB-CD2 4.25Å; E209-F211 HydrophobicContact CB-CE1 3.99Å; E209-F211 HydrophobicContact CB-CE2 3.74Å; E209-F211 HydrophobicContact CB-CZ 3.6Å; E209-F211 HydrophobicContact CG-CZ 4.36Å; E209-F211 VanDerWaalsContact O-CD2 3.28Å; E209-F211 WeakPolarHBondContact O-CD2 3.36Å; E209-F211 PolarHBondContact O-N 2.95Å; E209-F211 VanDerWaalsContact O-N 3.1Å; E209-F211 WeakPolarHBondContact OE2-CE1 3.23Å; E209-F211 VanDerWaalsContact OE2-CZ 3.26Å; E209-F211 WeakPolarHBondContact OE2-CZ 3.32Å; F211-Q213 VanDerWaalsContact C-N 3.26Å; F211-Q213 PolarHBondContact O-N 3.13Å; F211-K257 HydrophobicContact CB-CD 4.08Å; F211-K257 PolarHBondContact O-NZ 3.23Å
212S49.7Very low53.9Low82 Ų8274 Ų7457%0.57341%0.408SS*.  trans-60.8-14.9-16657.50000117.6D210D210-S212 PolarHBondContact O-N 2.91Å; D210-S212 PolarHBondContact OD1-OG 2.87Å
213Q54.1Low54.3Low162 Ų16278.1 Ų78.176%0.75744%0.435SS*.SBendtrans-92.3131.4179.2-60.6-173.322.800113F211 K257F211-Q213 VanDerWaalsContact C-N 3.26Å; F211-Q213 PolarHBondContact O-N 3.13Å; Q213-K257 PolarHBondContact O-NZ 2.99Å
214A55.3Low54.6Low63 Ų6376.7 Ų76.752%0.52143%0.429SS..  trans-75.7133.3171.600000110.6D216A214-D216 PolarHBondContact O-N 3.21Å
215N62Low54.4Low69 Ų6983.1 Ų83.137%0.36945%0.448SS..  trans-88.991.2-176.8-168.44.6000110.3A217 E218 I219N215-A217 PolarHBondContact O-N 3Å; N215-A217 VanDerWaalsContact O-N 3.11Å; N215-E218 HydrophobicContact CB-CB 4.38Å; N215-E218 HydrophobicContact CB-CG 4.22Å; N215-E218 WeakPolarHBondContact CB-OE1 3.39Å; N215-E218 WeakPolarHBondContact ND2-CG 3.38Å; N215-E218 PolarHBondContact ND2-OE1 2.78Å; N215-E218 WeakPolarHBondContact O-CB 3.39Å; N215-E218 PolarHBondContact O-N 2.81Å; N215-I219 PolarHBondContact O-N 2.85Å
216D65.6Low54.1Low109 Ų10990.9 Ų90.958%0.58348%0.475SS*.Hα-helixtrans-57.5-27.5-177-81.8-37.1000113.1A214 E218 I219 D220A214-D216 PolarHBondContact O-N 3.21Å; D216-E218 PolarHBondContact O-N 3.02Å; D216-I219 WeakPolarHBondContact O-CB 3.37Å; D216-I219 PolarHBondContact O-N 3.06Å; D216-D220 PolarHBondContact O-N 3.21Å
217A62.3Low53.8Low62 Ų6298.9 Ų98.951%0.51250%0.5SS..Hα-helixtrans-61.5-40.8172.800000112.7N215 D220 A221N215-A217 PolarHBondContact O-N 3Å; N215-A217 VanDerWaalsContact O-N 3.11Å; A217-D220 PolarHBondContact O-N 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.23Å
218E63.7Low53.2Low13 Ų13101.8 Ų101.86%0.06150%0.502CS..Hα-helixtrans-67.8-37.3174.1-74.7178.2-118.400112.3N215 D216 D220 A221 M222 Y247 K264N215-E218 HydrophobicContact CB-CB 4.38Å; N215-E218 HydrophobicContact CB-CG 4.22Å; N215-E218 WeakPolarHBondContact CB-OE1 3.39Å; N215-E218 WeakPolarHBondContact ND2-CG 3.38Å; N215-E218 PolarHBondContact ND2-OE1 2.78Å; N215-E218 WeakPolarHBondContact O-CB 3.39Å; N215-E218 PolarHBondContact O-N 2.81Å; D216-E218 PolarHBondContact O-N 3.02Å; E218-D220 VanDerWaalsContact C-N 3.33Å; E218-A221 PolarHBondContact O-N 3.49Å; E218-M222 WeakPolarHBondContact O-CG 3.35Å; E218-M222 PolarHBondContact O-N 3.42Å; E218-Y247 PolarHBondContact OE2-OH 2.79Å; E218-Y247 VanDerWaalsContact OE2-OH 3.13Å; E218-K264 IonicContact OE2-NZ 3.38Å; E218-K264 PolarHBondContact OE2-NZ 3.24Å
219I64.5Low52.4Low9 Ų9109.3 Ų109.35%0.04652%0.519CS..Hα-helixtrans-61.2-46.8174.8-63.1174.9000108.6N215 D216 A221 M222 K244 Y247N215-I219 PolarHBondContact O-N 2.85Å; D216-I219 WeakPolarHBondContact O-CB 3.37Å; D216-I219 PolarHBondContact O-N 3.06Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.48Å; I219-M222 WeakPolarHBondContact O-CB 3.18Å; I219-M222 PolarHBondContact O-N 2.93Å; I219-K244 HydrophobicContact CG2-CD 4.03Å; I219-K244 WeakPolarHBondContact O-CE 3.46Å; I219-K244 PolarHBondContact O-NZ 2.78Å; I219-Y247 HydrophobicContact CD1-CD1 4.26Å; I219-Y247 HydrophobicContact CD1-CE1 3.91Å; I219-Y247 HydrophobicContact CG1-CD1 3.78Å; I219-Y247 HydrophobicContact CG1-CE1 3.39Å
220D65Low51.8Low93 Ų93115.2 Ų115.250%0.49754%0.539SS..Hα-helixtrans-74.2-20.3179.1-90.69.5000114.6D216 A217 E218 K244D216-D220 PolarHBondContact O-N 3.21Å; A217-D220 PolarHBondContact O-N 3.23Å; E218-D220 VanDerWaalsContact C-N 3.33Å; D220-K244 IonicContact OD1-NZ 2.65Å
221A61.6Low51.4Low29 Ų29116.8 Ų116.824%0.2454%0.542CS..Hα-helixtrans-73.8-32.5169.800000112.8A217 E218 I219 N397A217-A221 WeakPolarHBondContact O-CB 3.34Å; A217-A221 PolarHBondContact O-N 3.23Å; E218-A221 PolarHBondContact O-N 3.49Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.48Å; A221-N397 HydrophobicContact CB-CB 4.01Å; A221-N397 WeakPolarHBondContact CB-OD1 3.48Å
222M62.4Low50.6Low4 Ų4122 Ų1222%0.0257%0.572CS.*SBendtrans-58.5134.2174.3-75.6-174.5172.600111.3E218 I219 T224 K244 Y247 W260E218-M222 WeakPolarHBondContact O-CG 3.35Å; E218-M222 PolarHBondContact O-N 3.42Å; I219-M222 WeakPolarHBondContact O-CB 3.18Å; I219-M222 PolarHBondContact O-N 2.93Å; M222-T224 PolarHBondContact O-N 3.05Å; M222-T224 PolarHBondContact O-OG1 2.94Å; M222-K244 HydrophobicContact SD-CG 4.39Å; M222-Y247 HydrophobicContact CE-CD2 3.3Å; M222-Y247 HydrophobicContact CE-CE2 3.86Å; M222-Y247 HydrophobicContact CE-CG 3.67Å; M222-Y247 HydrophobicContact SD-CD2 4.34Å; M222-Y247 HydrophobicContact SD-CG 4.13Å; M222-W260 HydrophobicContact CE-CZ2 3.71Å
223P55.2Low50.2Low88 Ų88125.8 Ų125.857%0.57158%0.584SS**  trans-56.8100.8-164.819.5-32.6000113T240P223-T240 WeakPolarHBondContact O-CG2 3.21Å; P223-T240 PolarHBondContact O-OG1 3.04Å; P223-T240 VanDerWaalsContact O-OG1 3.13Å
224T46.7Very low49.2Very low50 Ų50124 Ų12431%0.30759%0.587SS.*  trans-134.886.3179.632.20000111.8M222 R226 T240 K244M222-T224 PolarHBondContact O-N 3.05Å; M222-T224 PolarHBondContact O-OG1 2.94Å; T224-R226 PolarHBondContact O-N 2.9Å; T224-R226 VanDerWaalsContact O-N 3.15Å; T224-T240 WeakPolarHBondContact CG2-OG1 3.49Å; T224-K244 HydrophobicContact CG2-CD 3.82Å; T224-K244 VanDerWaalsContact CG2-CE 3.43Å; T224-K244 WeakPolarHBondContact OG1-CE 3.42Å; T224-K244 PolarHBondContact OG1-NZ 3.09Å
225R42Very low48.4Very low253 Ų253126.3 Ų126.396%0.95560%0.595SS**  trans55.437.5157.8-149.9179-170.6-1642.1115.6R227R225-R227 PolarHBondContact O-N 2.99Å
226R40.8Very low47.3Very low205 Ų205128.6 Ų128.677%0.77461%0.607SS**  trans-93.461.5-172.5-111-175.3-174.1-1656.9115.8T224 R228T224-R226 PolarHBondContact O-N 2.9Å; T224-R226 VanDerWaalsContact O-N 3.15Å; R226-R228 PolarHBondContact O-N 3.29Å
227R33.3Very low46.1Very low245 Ų245132.1 Ų132.193%0.92561%0.612SS**  trans43.472.4131.3-156.7-177.5-162.7-178.45.1118.5R225R225-R227 PolarHBondContact O-N 2.99Å
228R37.2Very low45.4Very low251 Ų251137.8 Ų137.895%0.94762%0.62SS**  trans-102.6175.5147.2-87.1-173.8173.6179.9-0.6110.4R226R226-R228 PolarHBondContact O-N 3.29Å
229R32.1Very low44.8Very low234 Ų234140 Ų14088%0.88364%0.636SS**  trans-133.788.2-142.6-175.2-155.1-61.8173.70.5114.3
230Y39.2Very low44.6Very low224 Ų224142.1 Ų142.188%0.87865%0.649SS**  trans-163.6178142.4-124.2-90.3000109.1
231E34.5Very low44.8Very low165 Ų165146 Ų14677%0.77166%0.662SS**  trans-98.5172-163.2-67.8170.2126.100115.1
232D35Very low45.4Very low152 Ų152146.9 Ų146.981%0.81366%0.659SS**  trans62.481.2167.3-63.6-13.9000120.9
233L42Very low46Very low161 Ų161147.1 Ų147.184%0.84366%0.661SS**  -173.9148.7106.3-117.697000112.1
234P32.6Very low46.9Very low124 Ų124144.6 Ų144.681%0.80564%0.641SS**  trans-10092.6-178.236.5-32000114.1
235T38.4Very low48.4Very low112 Ų112148 Ų14869%0.68765%0.648SS**  trans-98.9115.9162.651.50000110.1W237T235-W237 PolarHBondContact O-N 3.06Å
236D38.5Very low49.9Very low117 Ų117136.6 Ų136.663%0.62661%0.606SS**  trans-83.980.8-157.8-154.13.3000114R238D236-R238 PolarHBondContact O-N 3.43Å; D236-R238 IonicContact OD1-CZ 2.73Å; D236-R238 IonicContact OD1-NE 2.63Å; D236-R238 PolarHBondContact OD1-NE 3.47Å; D236-R238 IonicContact OD1-NH2 3.75Å; D236-R238 PolarHBondContact OD1-NH2 2.62Å; D236-R238 IonicContact OD2-CZ 2.67Å; D236-R238 IonicContact OD2-NE 2.66Å; D236-R238 PolarHBondContact OD2-NE 3.34Å; D236-R238 IonicContact OD2-NH2 2.75Å; D236-R238 PolarHBondContact OD2-NH2 2.91Å
237W41.1Very low51.5Low183 Ų183127 Ų12769%0.69357%0.57SS**  trans-68.392.4173.1-8189.5000112.2T235T235-W237 PolarHBondContact O-N 3.06Å
238R47.6Very low53.3Low181 Ų181122 Ų12268%0.68355%0.551SS**  trans-140.8146.2168.2-50.4-176.4-156.7-176.317.3110.7D236D236-R238 PolarHBondContact O-N 3.43Å; D236-R238 IonicContact OD1-CZ 2.73Å; D236-R238 IonicContact OD1-NE 2.63Å; D236-R238 PolarHBondContact OD1-NE 3.47Å; D236-R238 IonicContact OD1-NH2 3.75Å; D236-R238 PolarHBondContact OD1-NH2 2.62Å; D236-R238 IonicContact OD2-CZ 2.67Å; D236-R238 IonicContact OD2-NE 2.66Å; D236-R238 PolarHBondContact OD2-NE 3.34Å; D236-R238 IonicContact OD2-NH2 2.75Å; D236-R238 PolarHBondContact OD2-NH2 2.91Å
239P50.9Low55Low61 Ų61112.2 Ų112.240%0.39652%0.518SS..  cis-126.1108.90.935.2-16.7000113.1K241 Y242P239-K241 HydrophobicContact CB-CB 4.34Å; P239-K241 PolarHBondContact O-N 2.96Å; P239-Y242 PolarHBondContact O-N 2.83Å
240T61Low56.7Low53 Ų53101.9 Ų101.933%0.32548%0.48SS..Hα-helixtrans-62.5-0.9168.855.80000114.1P223 T224 Y242 C243 K244P223-T240 WeakPolarHBondContact O-CG2 3.21Å; P223-T240 PolarHBondContact O-OG1 3.04Å; P223-T240 VanDerWaalsContact O-OG1 3.13Å; T224-T240 WeakPolarHBondContact CG2-OG1 3.49Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; T240-C243 PolarHBondContact O-N 3.3Å; T240-K244 PolarHBondContact O-N 2.81Å
241K68.5Low58Low174 Ų17492.1 Ų92.176%0.75744%0.444SS*.Hα-helixtrans-62.5-32.6163.7-168.4-176.9179-172.30113.1P239 R245P239-K241 HydrophobicContact CB-CB 4.34Å; P239-K241 PolarHBondContact O-N 2.96Å; K241-R245 WeakPolarHBondContact O-CB 3.3Å; K241-R245 PolarHBondContact O-N 2.89Å
242Y74.7Confident59.5Low48 Ų4888.6 Ų88.619%0.18844%0.438CS..Hα-helixtrans-66.1-52.3171.7-177.1-89.2000109.6P239 T240 K244 R245 L246 D368P239-Y242 PolarHBondContact O-N 2.83Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; Y242-K244 PolarHBondContact O-N 2.86Å; Y242-R245 CarbonylContact O-C 3.59Å; Y242-R245 WeakPolarHBondContact O-CA 3.38Å; Y242-R245 WeakPolarHBondContact O-CB 3.47Å; Y242-R245 PolarHBondContact O-N 3.11Å; Y242-L246 HydrophobicContact CD1-CB 4.5Å; Y242-L246 HydrophobicContact CE1-CB 4.27Å; Y242-L246 HydrophobicContact CE1-CD2 4.18Å; Y242-L246 WeakPolarHBondContact O-CB 3.2Å; Y242-L246 PolarHBondContact O-N 2.97Å; Y242-D368 HydrophobicContact CD1-CB 3.76Å; Y242-D368 WeakPolarHBondContact CD1-O 3.32Å; Y242-D368 HydrophobicContact CD2-CB 3.83Å; Y242-D368 WeakPolarHBondContact CD2-OD2 3.48Å; Y242-D368 HydrophobicContact CE1-CB 3.97Å; Y242-D368 HydrophobicContact CE2-CB 4.03Å; Y242-D368 HydrophobicContact CG-CB 3.7Å
243C75Confident60.7Low8 Ų884.3 Ų84.35%0.05442%0.417CS..Hα-helixtrans-52.3-48175.1-1710000113T240 R245 L246 Y247 Q268 C372T240-C243 PolarHBondContact O-N 3.3Å; C243-R245 VanDerWaalsContact C-N 3.3Å; C243-R245 PolarHBondContact O-N 3.49Å; C243-L246 PolarHBondContact O-N 3.17Å; C243-Y247 WeakPolarHBondContact O-CB 3.46Å; C243-Y247 PolarHBondContact O-N 3.05Å; C243-Q268 PolarHBondContact SG-NE2 3.5Å; C243-C372 VanDerWaalsContact CA-SG 3.56Å; C243-C372 HydrophobicContact CB-CB 4.31Å; C243-C372 WeakPolarHBondContact CB-SG 3.28Å
244K74.3Confident61.2Low35 Ų3579.3 Ų79.315%0.15239%0.392CS..Hα-helixtrans-67.2-25.1175.8-77.7-167.1167.5-168.70114.3I219 D220 M222 T224 T240 Y242 R248I219-K244 HydrophobicContact CG2-CD 4.03Å; I219-K244 WeakPolarHBondContact O-CE 3.46Å; I219-K244 PolarHBondContact O-NZ 2.78Å; D220-K244 IonicContact OD1-NZ 2.65Å; M222-K244 HydrophobicContact SD-CG 4.39Å; T224-K244 HydrophobicContact CG2-CD 3.82Å; T224-K244 VanDerWaalsContact CG2-CE 3.43Å; T224-K244 WeakPolarHBondContact OG1-CE 3.42Å; T224-K244 PolarHBondContact OG1-NZ 3.09Å; T240-K244 PolarHBondContact O-N 2.81Å; Y242-K244 PolarHBondContact O-N 2.86Å; K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-N 2.85Å
245R77Confident62Low122 Ų12275 Ų7546%0.4636%0.361SS..Hα-helixtrans-76.6-50.1170.8178.6176.9172.9-174.5-4.8110.5K241 Y242 C243 Y247 R248 D249K241-R245 WeakPolarHBondContact O-CB 3.3Å; K241-R245 PolarHBondContact O-N 2.89Å; Y242-R245 CarbonylContact O-C 3.59Å; Y242-R245 WeakPolarHBondContact O-CA 3.38Å; Y242-R245 WeakPolarHBondContact O-CB 3.47Å; Y242-R245 PolarHBondContact O-N 3.11Å; C243-R245 VanDerWaalsContact C-N 3.3Å; C243-R245 PolarHBondContact O-N 3.49Å; R245-Y247 VanDerWaalsContact C-N 3.26Å; R245-Y247 PolarHBondContact O-N 3.46Å; R245-R248 CarbonylContact O-C 3.56Å; R245-R248 PolarHBondContact O-N 2.12Å; R245-D249 WeakPolarHBondContact CG-OD2 3.43Å; R245-D249 IonicContact CZ-OD2 3.81Å; R245-D249 IonicContact NE-OD1 2.86Å; R245-D249 IonicContact NE-OD2 3.26Å; R245-D249 PolarHBondContact NE-OD2 2.99Å; R245-D249 IonicContact NH2-OD2 2.81Å; R245-D249 PolarHBondContact NH2-OD2 3.18Å; R245-D249 WeakPolarHBondContact O-CB 3.47Å; R245-D249 PolarHBondContact O-N 3.39Å
246L74.6Confident63.2Low14 Ų1470.1 Ų70.17%0.07333%0.333CS..Hα-helixtrans-52.4-45.3175.6176.863.6000111.2F175 Y242 C243 D249 V250 W260 L369F175-L246 HydrophobicContact CB-CD1 3.95Å; F175-L246 HydrophobicContact CD2-CD1 3.48Å; F175-L246 VanDerWaalsContact CD2-CD1 3.48Å; F175-L246 HydrophobicContact CE2-CD1 4.18Å; F175-L246 HydrophobicContact CG-CD1 3.87Å; Y242-L246 HydrophobicContact CD1-CB 4.5Å; Y242-L246 HydrophobicContact CE1-CB 4.27Å; Y242-L246 HydrophobicContact CE1-CD2 4.18Å; Y242-L246 WeakPolarHBondContact O-CB 3.2Å; Y242-L246 PolarHBondContact O-N 2.97Å; C243-L246 PolarHBondContact O-N 3.17Å; L246-D249 PolarHBondContact O-N 2.96Å; L246-V250 HydrophobicContact CD1-CG2 3.99Å; L246-V250 VanDerWaalsContact O-CB 3.3Å; L246-V250 WeakPolarHBondContact O-CB 3.5Å; L246-V250 VanDerWaalsContact O-CG2 3.25Å; L246-V250 WeakPolarHBondContact O-CG2 3.48Å; L246-V250 PolarHBondContact O-N 3.14Å; L246-W260 HydrophobicContact CD2-CZ3 4.45Å; L246-W260 HydrophobicContact CG-CZ3 4.41Å; L246-L369 HydrophobicContact CD2-CD1 3.61Å
247Y73.2Confident64.2Low4 Ų465.9 Ų65.92%0.01631%0.309CS..Hα-helixtrans-53.1-58171.1178.8-103.9000111.4E218 I219 M222 C243 R245 D249 V250 T251 W260E218-Y247 PolarHBondContact OE2-OH 2.79Å; E218-Y247 VanDerWaalsContact OE2-OH 3.13Å; I219-Y247 HydrophobicContact CD1-CD1 4.26Å; I219-Y247 HydrophobicContact CD1-CE1 3.91Å; I219-Y247 HydrophobicContact CG1-CD1 3.78Å; I219-Y247 HydrophobicContact CG1-CE1 3.39Å; M222-Y247 HydrophobicContact CE-CD2 3.3Å; M222-Y247 HydrophobicContact CE-CE2 3.86Å; M222-Y247 HydrophobicContact CE-CG 3.67Å; M222-Y247 HydrophobicContact SD-CD2 4.34Å; M222-Y247 HydrophobicContact SD-CG 4.13Å; C243-Y247 WeakPolarHBondContact O-CB 3.46Å; C243-Y247 PolarHBondContact O-N 3.05Å; R245-Y247 VanDerWaalsContact C-N 3.26Å; R245-Y247 PolarHBondContact O-N 3.46Å; Y247-D249 PolarHBondContact O-N 2.98Å; Y247-V250 PolarHBondContact O-N 3.43Å; Y247-T251 HydrophobicContact CD1-CG2 4.43Å; Y247-T251 HydrophobicContact CD2-CG2 3.78Å; Y247-T251 HydrophobicContact CE1-CG2 4.21Å; Y247-T251 HydrophobicContact CE2-CG2 3.57Å; Y247-T251 HydrophobicContact CG-CG2 4.26Å; Y247-T251 WeakPolarHBondContact O-CB 3.35Å; Y247-T251 WeakPolarHBondContact O-CG2 3.4Å; Y247-T251 PolarHBondContact O-N 2.88Å; Y247-T251 PolarHBondContact O-OG1 3.44Å; Y247-W260 AromaticContact CD2-CD1 3.65Å; Y247-W260 HydrophobicContact CD2-CD2 4.17Å; Y247-W260 AromaticContact CD2-CE2 3.67Å; Y247-W260 HydrophobicContact CD2-CG 4.17Å; Y247-W260 HydrophobicContact CD2-CZ2 4.25Å; Y247-W260 AromaticContact CD2-NE1 3.3Å; Y247-W260 VanDerWaalsContact CD2-NE1 3.3Å; Y247-W260 AromaticContact CE2-CD1 3.52Å; Y247-W260 HydrophobicContact CE2-CG 4.32Å; Y247-W260 AromaticContact CE2-NE1 3.48Å
248R72.4Confident64.7Low139 Ų13958.3 Ų58.353%0.52528%0.281SS..Hα-helixtrans-61.5-41-177.9-75.2177.3170.9-166.7-5.8113.1K244 R245 S252K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-N 2.85Å; R245-R248 CarbonylContact O-C 3.56Å; R245-R248 PolarHBondContact O-N 2.12Å; R248-S252 VanDerWaalsContact O-CB 3.28Å; R248-S252 WeakPolarHBondContact O-CB 3.3Å; R248-S252 PolarHBondContact O-N 2.82Å
249D71.4Confident65.3Low46 Ų4651.8 Ų51.825%0.24626%0.262CS..Hα-helixtrans-68-39.6-178.9-67.94.7000109.6R245 L246 Y247 S252R245-D249 WeakPolarHBondContact CG-OD2 3.43Å; R245-D249 IonicContact CZ-OD2 3.81Å; R245-D249 IonicContact NE-OD1 2.86Å; R245-D249 IonicContact NE-OD2 3.26Å; R245-D249 PolarHBondContact NE-OD2 2.99Å; R245-D249 IonicContact NH2-OD2 2.81Å; R245-D249 PolarHBondContact NH2-OD2 3.18Å; R245-D249 WeakPolarHBondContact O-CB 3.47Å; R245-D249 PolarHBondContact O-N 3.39Å; L246-D249 PolarHBondContact O-N 2.96Å; Y247-D249 PolarHBondContact O-N 2.98Å; D249-S252 PolarHBondContact O-OG 3.35Å
250V68.4Low66.3Low16 Ų1649.5 Ų49.510%0.09725%0.245CC..Hα-helixtrans-69.8-53.5173.1170.10000112.2F175 L246 Y247 S252 T253 G256 W260F175-V250 HydrophobicContact CB-CG2 3.82Å; F175-V250 HydrophobicContact CG-CG2 4.5Å; L246-V250 HydrophobicContact CD1-CG2 3.99Å; L246-V250 VanDerWaalsContact O-CB 3.3Å; L246-V250 WeakPolarHBondContact O-CB 3.5Å; L246-V250 VanDerWaalsContact O-CG2 3.25Å; L246-V250 WeakPolarHBondContact O-CG2 3.48Å; L246-V250 PolarHBondContact O-N 3.14Å; Y247-V250 PolarHBondContact O-N 3.43Å; V250-S252 PolarHBondContact O-N 2.89Å; V250-S252 VanDerWaalsContact O-N 3.17Å; V250-T253 PolarHBondContact O-N 2.81Å; V250-T253 PolarHBondContact O-OG1 2.87Å; V250-T253 VanDerWaalsContact O-OG1 3.04Å; V250-G256 VanDerWaalsContact CG1-O 3.25Å; V250-G256 WeakPolarHBondContact CG1-O 3.15Å; V250-G256 WeakPolarHBondContact O-CA 3.48Å; V250-W260 HydrophobicContact CG1-CB 4.17Å; V250-W260 HydrophobicContact CG1-CE3 4.18Å
251T66.2Low66.5Low19 Ų1949.4 Ų49.412%0.11724%0.243CC..Hα-helixtrans-71.6-5.8-178.367.50000113.7Y247 T253 K257 W260Y247-T251 HydrophobicContact CD1-CG2 4.43Å; Y247-T251 HydrophobicContact CD2-CG2 3.78Å; Y247-T251 HydrophobicContact CE1-CG2 4.21Å; Y247-T251 HydrophobicContact CE2-CG2 3.57Å; Y247-T251 HydrophobicContact CG-CG2 4.26Å; Y247-T251 WeakPolarHBondContact O-CB 3.35Å; Y247-T251 WeakPolarHBondContact O-CG2 3.4Å; Y247-T251 PolarHBondContact O-N 2.88Å; Y247-T251 PolarHBondContact O-OG1 3.44Å; T251-T253 PolarHBondContact O-N 3.36Å; T251-K257 HydrophobicContact CG2-CB 4.25Å; T251-K257 HydrophobicContact CG2-CG 4.33Å; T251-W260 HydrophobicContact CG2-CB 4.34Å; T251-W260 HydrophobicContact CG2-CG 4.44Å
252S66.9Low66.3Low91 Ų9142.9 Ų42.964%0.63622%0.218SC*.THydrogen-bonded Turntrans-64.5-16169.5740000112.8R248 D249 V250R248-S252 VanDerWaalsContact O-CB 3.28Å; R248-S252 WeakPolarHBondContact O-CB 3.3Å; R248-S252 PolarHBondContact O-N 2.82Å; D249-S252 PolarHBondContact O-OG 3.35Å; V250-S252 PolarHBondContact O-N 2.89Å; V250-S252 VanDerWaalsContact O-N 3.17Å
253T60.4Low66.2Low63 Ų6343.6 Ų43.639%0.38722%0.224SC..SBendtrans-111.1138.1173.3680000110V250 T251 Q255 G256 K257V250-T253 PolarHBondContact O-N 2.81Å; V250-T253 PolarHBondContact O-OG1 2.87Å; V250-T253 VanDerWaalsContact O-OG1 3.04Å; T251-T253 PolarHBondContact O-N 3.36Å; T253-Q255 PolarHBondContact O-N 3.22Å; T253-G256 PolarHBondContact O-N 2.82Å; T253-G256 VanDerWaalsContact O-N 3.12Å; T253-G256 VanDerWaalsContact OG1-CA 3.32Å; T253-G256 WeakPolarHBondContact OG1-CA 3.33Å; T253-G256 PolarHBondContact OG1-N 2.9Å; T253-K257 PolarHBondContact O-N 2.69Å
254N52Low66.1Low56 Ų5643.3 Ų43.330%0.29922%0.222SC..Hα-helixtrans-56.9-41.4175.5-67.59.6000111L206 G256 K257 L258L206-N254 HydrophobicContact CD2-CB 3.91Å; N254-G256 PolarHBondContact O-N 2.82Å; N254-K257 PolarHBondContact O-N 2.91Å; N254-L258 PolarHBondContact O-N 3.23Å; N254-L258 VanDerWaalsContact O-N 3.09Å
255Q50.4Low66.2Low33 Ų3342 Ų4215%0.15422%0.217CC..Hα-helixtrans-58.9-45.6177-48.4-179.7-46.900111T196 D197 V202 L206 T253 T259T196-Q255 PolarHBondContact OG1-OE1 2.83Å; D197-Q255 PolarHBondContact OD1-NE2 3.29Å; V202-Q255 HydrophobicContact CG1-CB 3.98Å; V202-Q255 HydrophobicContact CG1-CG 3.54Å; V202-Q255 HydrophobicContact CG2-CB 4.36Å; L206-Q255 HydrophobicContact CD1-CG 4.34Å; T253-Q255 PolarHBondContact O-N 3.22Å; Q255-T259 WeakPolarHBondContact O-CB 3.36Å; Q255-T259 PolarHBondContact O-N 3.47Å; Q255-T259 PolarHBondContact O-OG1 2.8Å
256G62.1Low66.3Low10 Ų1038.8 Ų38.810%0.10321%0.208CC..Hα-helixtrans-72.3-35177.700000113.9V250 T253 N254 T259 W260V250-G256 VanDerWaalsContact CG1-O 3.25Å; V250-G256 WeakPolarHBondContact CG1-O 3.15Å; V250-G256 WeakPolarHBondContact O-CA 3.48Å; T253-G256 PolarHBondContact O-N 2.82Å; T253-G256 VanDerWaalsContact O-N 3.12Å; T253-G256 VanDerWaalsContact OG1-CA 3.32Å; T253-G256 WeakPolarHBondContact OG1-CA 3.33Å; T253-G256 PolarHBondContact OG1-N 2.9Å; N254-G256 PolarHBondContact O-N 2.82Å; G256-T259 CarbonylContact O-C 3.6Å; G256-T259 PolarHBondContact O-N 2.87Å; G256-W260 WeakPolarHBondContact O-CB 3.2Å; G256-W260 PolarHBondContact O-N 2.92Å
257K59.4Low66.4Low27 Ų2740 Ų4012%0.11721%0.214CC..Hα-helixtrans-63.9-43174.1-178.6167.5160.5-172.10111.9F211 Q213 T251 T253 N254 W260 N261F211-K257 HydrophobicContact CB-CD 4.08Å; F211-K257 PolarHBondContact O-NZ 3.23Å; Q213-K257 PolarHBondContact O-NZ 2.99Å; T251-K257 HydrophobicContact CG2-CB 4.25Å; T251-K257 HydrophobicContact CG2-CG 4.33Å; T253-K257 PolarHBondContact O-N 2.69Å; N254-K257 PolarHBondContact O-N 2.91Å; K257-W260 PolarHBondContact O-N 3.44Å; K257-N261 PolarHBondContact O-N 3.24Å; K257-N261 PolarHBondContact O-OD1 3.1Å
258L53Low66.7Low24 Ų2440.6 Ų40.613%0.12622%0.217CC..Hα-helixtrans-62-46171.7178.965.1000112L201 I205 N254 W260 N261 T262L201-L258 HydrophobicContact CG-CD2 4.44Å; L201-L258 WeakPolarHBondContact O-CD2 3.35Å; I205-L258 HydrophobicContact CB-CD2 3.76Å; I205-L258 HydrophobicContact CD1-CD1 4.17Å; I205-L258 HydrophobicContact CD1-CD2 4Å; I205-L258 HydrophobicContact CG1-CD2 4.42Å; I205-L258 HydrophobicContact CG2-CD1 3.9Å; I205-L258 HydrophobicContact CG2-CD2 3.66Å; I205-L258 HydrophobicContact CG2-CG 4.4Å; N254-L258 PolarHBondContact O-N 3.23Å; N254-L258 VanDerWaalsContact O-N 3.09Å; L258-W260 VanDerWaalsContact C-N 3.26Å; L258-W260 PolarHBondContact O-N 3.26Å; L258-N261 WeakPolarHBondContact O-CB 3.39Å; L258-N261 PolarHBondContact O-N 3.17Å; L258-N261 VanDerWaalsContact O-N 3.15Å; L258-T262 PolarHBondContact O-N 2.91Å
259T60.4Low67.3Low44 Ų4434 Ų3427%0.2719%0.192SC..Hα-helixtrans-62.3-33.8176.9-56.90000111.8Q255 G256 T262 I263Q255-T259 WeakPolarHBondContact O-CB 3.36Å; Q255-T259 PolarHBondContact O-N 3.47Å; Q255-T259 PolarHBondContact O-OG1 2.8Å; G256-T259 CarbonylContact O-C 3.6Å; G256-T259 PolarHBondContact O-N 2.87Å; T259-T262 PolarHBondContact O-OG1 3.45Å; T259-T262 VanDerWaalsContact O-OG1 3.07Å; T259-I263 HydrophobicContact CG2-CD1 3.71Å; T259-I263 HydrophobicContact CG2-CG1 4.47Å; T259-I263 WeakPolarHBondContact O-CB 3.34Å; T259-I263 VanDerWaalsContact O-CG1 3.3Å; T259-I263 WeakPolarHBondContact O-CG1 3.06Å; T259-I263 PolarHBondContact O-N 2.85Å; T259-I263 VanDerWaalsContact O-N 3.12Å
260W71.1Confident68.2Low13 Ų1334.5 Ų34.55%0.04919%0.191CC..Hα-helixtrans-71.9-35.1174.9-167.5-93.5000112.1M222 L246 Y247 V250 T251 G256 K257 L258 T262 I263 K264M222-W260 HydrophobicContact CE-CZ2 3.71Å; L246-W260 HydrophobicContact CD2-CZ3 4.45Å; L246-W260 HydrophobicContact CG-CZ3 4.41Å; Y247-W260 AromaticContact CD2-CD1 3.65Å; Y247-W260 HydrophobicContact CD2-CD2 4.17Å; Y247-W260 AromaticContact CD2-CE2 3.67Å; Y247-W260 HydrophobicContact CD2-CG 4.17Å; Y247-W260 HydrophobicContact CD2-CZ2 4.25Å; Y247-W260 AromaticContact CD2-NE1 3.3Å; Y247-W260 VanDerWaalsContact CD2-NE1 3.3Å; Y247-W260 AromaticContact CE2-CD1 3.52Å; Y247-W260 HydrophobicContact CE2-CG 4.32Å; Y247-W260 AromaticContact CE2-NE1 3.48Å; V250-W260 HydrophobicContact CG1-CB 4.17Å; V250-W260 HydrophobicContact CG1-CE3 4.18Å; T251-W260 HydrophobicContact CG2-CB 4.34Å; T251-W260 HydrophobicContact CG2-CG 4.44Å; G256-W260 WeakPolarHBondContact O-CB 3.2Å; G256-W260 PolarHBondContact O-N 2.92Å; K257-W260 PolarHBondContact O-N 3.44Å; L258-W260 VanDerWaalsContact C-N 3.26Å; L258-W260 PolarHBondContact O-N 3.26Å; W260-T262 VanDerWaalsContact C-N 3.27Å; W260-T262 PolarHBondContact O-N 2.8Å; W260-I263 PolarHBondContact O-N 3.1Å; W260-K264 HydrophobicContact CG-CB 4.43Å; W260-K264 WeakPolarHBondContact O-CB 3.43Å; W260-K264 PolarHBondContact O-N 3.36Å
261N64.5Low69.3Low51 Ų5133.8 Ų33.827%0.27319%0.187SC..Hα-helixtrans-60.6-34.5176.5-74-10.4000112.9K257 L258 P265K257-N261 PolarHBondContact O-N 3.24Å; K257-N261 PolarHBondContact O-OD1 3.1Å; L258-N261 WeakPolarHBondContact O-CB 3.39Å; L258-N261 PolarHBondContact O-N 3.17Å; L258-N261 VanDerWaalsContact O-N 3.15Å; N261-P265 WeakPolarHBondContact O-CD 3.41Å
262T65.1Low70.6Confident38 Ų3832.9 Ų32.923%0.23318%0.181CC..Hα-helixtrans-83.4-34.9175.757.20000112.9L258 T259 W260L258-T262 PolarHBondContact O-N 2.91Å; T259-T262 PolarHBondContact O-OG1 3.45Å; T259-T262 VanDerWaalsContact O-OG1 3.07Å; W260-T262 VanDerWaalsContact C-N 3.27Å; W260-T262 PolarHBondContact O-N 2.8Å
263I72.2Confident71.8Confident63 Ų6329.4 Ų29.432%0.32315%0.154SC..Hα-helixtrans-81.4-31.9-177.9-69-179.6000112.9T259 W260 I266 I267T259-I263 HydrophobicContact CG2-CD1 3.71Å; T259-I263 HydrophobicContact CG2-CG1 4.47Å; T259-I263 WeakPolarHBondContact O-CB 3.34Å; T259-I263 VanDerWaalsContact O-CG1 3.3Å; T259-I263 WeakPolarHBondContact O-CG1 3.06Å; T259-I263 PolarHBondContact O-N 2.85Å; T259-I263 VanDerWaalsContact O-N 3.12Å; W260-I263 PolarHBondContact O-N 3.1Å; I263-I266 CarbonylContact O-C 3.6Å; I263-I266 WeakPolarHBondContact O-CA 3.35Å; I263-I266 WeakPolarHBondContact O-CB 3.28Å; I263-I266 PolarHBondContact O-N 3.26Å; I263-I267 HydrophobicContact CG2-CD1 3.32Å; I263-I267 HydrophobicContact CG2-CG1 3.7Å; I263-I267 PolarHBondContact O-N 3.34Å
264K73.9Confident73.3Confident1 Ų126.7 Ų26.70%0.00414%0.137CC..Hα-helixtrans-59.2-45.2-176.2-176.2-168.8-173.8-173.70113.4E218 W260 I266 I267 Q268 N397 K398E218-K264 IonicContact OE2-NZ 3.38Å; E218-K264 PolarHBondContact OE2-NZ 3.24Å; W260-K264 HydrophobicContact CG-CB 4.43Å; W260-K264 WeakPolarHBondContact O-CB 3.43Å; W260-K264 PolarHBondContact O-N 3.36Å; K264-I266 VanDerWaalsContact C-N 3.29Å; K264-I266 PolarHBondContact O-N 3.05Å; K264-I267 PolarHBondContact O-N 3.5Å; K264-Q268 PolarHBondContact O-N 2.92Å; K264-N397 PolarHBondContact NZ-O 2.61Å; K264-K398 HydrophobicContact CD-CB 3.96Å; K264-K398 WeakPolarHBondContact CD-O 3.41Å; K264-K398 VanDerWaalsContact CE-O 3.31Å; K264-K398 WeakPolarHBondContact CE-O 3.49Å; K264-K398 WeakPolarHBondContact CG-O 3.38Å
265P76.6Confident75.1Confident7 Ų725.3 Ų25.35%0.04513%0.131CC..Hα-helixtrans-61.1-36.7171.5-24.336000112.8N261 I267 G269 L401N261-P265 WeakPolarHBondContact O-CD 3.41Å; P265-I267 PolarHBondContact O-N 2.86Å; P265-G269 WeakPolarHBondContact O-CA 3.33Å; P265-G269 PolarHBondContact O-N 2.98Å; P265-L401 HydrophobicContact CB-CD1 3.99Å
266I77.8Confident76.7Confident55 Ų5525.9 Ų25.928%0.28214%0.142SC..Hα-helixtrans-70.9-31.1-179.9-58.5175.7000111.4I263 K264 R377I263-I266 CarbonylContact O-C 3.6Å; I263-I266 WeakPolarHBondContact O-CA 3.35Å; I263-I266 WeakPolarHBondContact O-CB 3.28Å; I263-I266 PolarHBondContact O-N 3.26Å; K264-I266 VanDerWaalsContact C-N 3.29Å; K264-I266 PolarHBondContact O-N 3.05Å; I266-R377 VanDerWaalsContact O-CZ 3.25Å; I266-R377 PolarHBondContact O-NH1 3.07Å; I266-R377 PolarHBondContact O-NH2 3.08Å
267I77.5Confident77.9Confident39 Ų3929.9 Ų29.920%0.216%0.161CC..Hα-helixtrans-90.4-39.1179.7-65.8-172.3000113.4I263 K264 P265 C372 V373 S374 R377I263-I267 HydrophobicContact CG2-CD1 3.32Å; I263-I267 HydrophobicContact CG2-CG1 3.7Å; I263-I267 PolarHBondContact O-N 3.34Å; K264-I267 PolarHBondContact O-N 3.5Å; P265-I267 PolarHBondContact O-N 2.86Å; I267-C372 WeakPolarHBondContact CG2-O 3.38Å; I267-V373 HydrophobicContact CG2-CB 4.2Å; I267-V373 HydrophobicContact CG2-CG1 4.22Å; I267-V373 HydrophobicContact CG2-CG2 4.12Å; I267-S374 PolarHBondContact O-N 3.12Å; I267-R377 PolarHBondContact O-NH2 3.41Å
268Q80Confident79.1Confident17 Ų1732.4 Ų32.48%0.07919%0.187CC..Hα-helixtrans-128.8-1.4-168.5-56.9-168.8-2600114.4C243 K264 C372 L399C243-Q268 PolarHBondContact SG-NE2 3.5Å; K264-Q268 PolarHBondContact O-N 2.92Å; Q268-C372 PolarHBondContact NE2-O 2.85Å; Q268-L399 HydrophobicContact CB-CD2 3.96Å
269G84.8Confident80.6Confident0 Ų034.6 Ų34.60%020%0.197CC..  trans-72.2142.4-174.300000113.8P265 L399P265-G269 WeakPolarHBondContact O-CA 3.33Å; P265-G269 PolarHBondContact O-N 2.98Å; G269-L399 CarbonylContact C-O 3.59Å; G269-L399 VanDerWaalsContact CA-O 3.29Å; G269-L399 WeakPolarHBondContact CA-O 3.39Å
270R89.3Confident81.8Confident58 Ų5832.8 Ų32.822%0.21919%0.187CC..EExtended strand (participates in β ladder)trans-88.7146.2176-67-77160.6172.3-8.3110.8D376 R377 L394 L399 L401R270-D376 IonicContact CZ-OD2 2.75Å; R270-D376 VanDerWaalsContact CZ-OD2 3.23Å; R270-D376 VanDerWaalsContact NH1-CG 3.27Å; R270-D376 IonicContact NH1-OD1 3.39Å; R270-D376 PolarHBondContact NH1-OD1 3.09Å; R270-D376 IonicContact NH1-OD2 3.55Å; R270-D376 PolarHBondContact NH1-OD2 3.14Å; R270-D376 PolarHBondContact NH2-O 3.04Å; R270-D376 IonicContact NH2-OD2 3.63Å; R270-D376 PolarHBondContact NH2-OD2 2.89Å; R270-R377 WeakPolarHBondContact CA-O 3.26Å; R270-R377 WeakPolarHBondContact CD-O 3.41Å; R270-L394 HydrophobicContact CB-CD1 4.02Å; R270-L394 HydrophobicContact CB-CD2 4.46Å; R270-L394 HydrophobicContact CG-CD2 4.31Å; R270-L399 PolarHBondContact N-O 3.47Å; R270-L401 WeakPolarHBondContact O-CB 3.17Å; R270-L401 PolarHBondContact O-N 3.41Å
271I91.8Very high82.6Confident0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-112.6109.3175.8-58.5160.1000106.4F291 R377 F378 E379 L401 A402 L404 L457I271-F291 HydrophobicContact CD1-CE2 3.84Å; I271-F291 HydrophobicContact CD1-CZ 4.01Å; I271-R377 HydrophobicContact CD1-CB 4.19Å; I271-R377 PolarHBondContact N-O 2.9Å; I271-F378 HydrophobicContact CB-CD1 3.96Å; I271-F378 HydrophobicContact CB-CE1 4.16Å; I271-F378 HydrophobicContact CD1-CE1 4.15Å; I271-F378 HydrophobicContact CD1-CE2 4.44Å; I271-F378 HydrophobicContact CD1-CZ 4.1Å; I271-F378 HydrophobicContact CG2-CD1 3.75Å; I271-F378 HydrophobicContact CG2-CE1 3.65Å; I271-F378 CarbonylContact O-C 3.41Å; I271-F378 VanDerWaalsContact O-CA 3.31Å; I271-F378 WeakPolarHBondContact O-CA 3.3Å; I271-E379 PolarHBondContact O-N 3.19Å; I271-L401 HydrophobicContact CD1-CD2 4.3Å; I271-L401 HydrophobicContact CG1-CB 4.49Å; I271-L401 HydrophobicContact CG1-CD2 4Å; I271-L401 HydrophobicContact CG1-CG 4.49Å; I271-A402 WeakPolarHBondContact CA-O 3.36Å; I271-A402 HydrophobicContact CG2-CB 4.5Å; I271-L404 HydrophobicContact CG2-CD1 3.98Å; I271-L404 HydrophobicContact CG2-CG 4.39Å; I271-L457 HydrophobicContact CD1-CD1 3.89Å; I271-L457 HydrophobicContact CG1-CD2 4.5Å; I271-L457 HydrophobicContact CG2-CD1 4.43Å; I271-L457 HydrophobicContact CG2-CD2 4.22Å
272L93.2Very high83.7Confident0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-78.4151176-55.8-178.3000110.2E379 V381 L387 R390 A391 L394 F400 A402 A403 L404L272-E379 CarbonylContact C-O 3.48Å; L272-E379 VanDerWaalsContact CA-O 3.31Å; L272-E379 WeakPolarHBondContact CA-O 3.26Å; L272-E379 HydrophobicContact CD2-CB 3.93Å; L272-E379 HydrophobicContact CD2-CG 4.04Å; L272-V381 HydrophobicContact CB-CG2 4.37Å; L272-V381 HydrophobicContact CD2-CG2 4.23Å; L272-L387 HydrophobicContact CB-CD1 4.05Å; L272-L387 HydrophobicContact CB-CG 3.96Å; L272-L387 HydrophobicContact CD1-CG 4.12Å; L272-L387 VanDerWaalsContact CD1-O 3.25Å; L272-L387 WeakPolarHBondContact CD1-O 3.35Å; L272-R390 HydrophobicContact CD1-CB 3.79Å; L272-R390 HydrophobicContact CD1-CG 3.89Å; L272-R390 HydrophobicContact CD2-CG 3.91Å; L272-A391 HydrophobicContact CD1-CB 4.03Å; L272-L394 HydrophobicContact CD1-CD1 4.3Å; L272-L394 HydrophobicContact CD2-CD1 3.79Å; L272-L394 HydrophobicContact CG-CD1 4.21Å; L272-F400 HydrophobicContact CD1-CE2 4.41Å; L272-A402 PolarHBondContact N-O 3.13Å; L272-A403 HydrophobicContact CB-CB 3.83Å; L272-A403 CarbonylContact O-C 3.58Å; L272-A403 VanDerWaalsContact O-CA 3.31Å; L272-A403 WeakPolarHBondContact O-CA 3.25Å; L272-L404 PolarHBondContact O-N 3.27Å
273Y92.9Very high84.8Confident19 Ų1933.8 Ų33.88%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-143150.9167.571.8-84.4000113.4E281 V284 F378 E379 A380 V381 L404 L406Y273-E281 HydrophobicContact CE2-CG 4.5Å; Y273-V284 HydrophobicContact CD1-CG2 4.08Å; Y273-V284 HydrophobicContact CD2-CG2 4.01Å; Y273-V284 HydrophobicContact CE1-CG1 4.13Å; Y273-V284 HydrophobicContact CE1-CG2 4.14Å; Y273-V284 HydrophobicContact CE2-CG2 4.06Å; Y273-V284 HydrophobicContact CG-CG2 4.01Å; Y273-F378 HydrophobicContact CD1-CB 4.31Å; Y273-F378 HydrophobicContact CD1-CD1 4.35Å; Y273-F378 HydrophobicContact CE1-CB 4.14Å; Y273-E379 PolarHBondContact N-O 2.63Å; Y273-A380 HydrophobicContact CD1-CB 4.48Å; Y273-A380 HydrophobicContact CE1-CB 3.8Å; Y273-A380 HydrophobicContact CE2-CB 4.08Å; Y273-V381 PolarHBondContact O-N 3.47Å; Y273-L404 CarbonylContact C-O 3.54Å; Y273-L404 VanDerWaalsContact CA-O 3.28Å; Y273-L404 WeakPolarHBondContact CA-O 3.45Å; Y273-L406 HydrophobicContact CD2-CD1 4.33Å
274T91.4Very high85.6Confident5 Ų531.4 Ų31.43%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-144.8151.2176.4-1690000109.5V381 V384 L387 L404 N405 L406T274-V381 PolarHBondContact OG1-O 3.43Å; T274-V384 HydrophobicContact CG2-CG2 4.07Å; T274-L387 HydrophobicContact CG2-CD1 3.59Å; T274-L404 PolarHBondContact N-O 3.23Å; T274-N405 HydrophobicContact CG2-CB 4.06Å; T274-L406 PolarHBondContact O-N 3.45Å
275P90.2Very high86.3Confident27 Ų2738.5 Ų38.518%0.17521%0.21CC..  cis-68-178.7-1633.3-38.2000112.2N277 T280P275-N277 HydrophobicContact CG-CB 4.49Å; P275-T280 HydrophobicContact CG-CG2 4.21Å; P275-T280 PolarHBondContact O-OG1 3.26Å; P275-T280 VanDerWaalsContact O-OG1 3.06Å
276A84.3Confident86.8Confident46 Ų4640 Ų4038%0.3822%0.215SC..  trans-104.164.6176.200000110.8A380A276-A380 HydrophobicContact CB-CB 4.2Å
277N85.9Confident87.3Confident93 Ų9337.4 Ų37.450%0.49720%0.202SC..  trans-111.5154-176.2-62.36.2000111.1P275 M279 T280 E281P275-N277 HydrophobicContact CG-CB 4.49Å; N277-M279 VanDerWaalsContact C-N 3.27Å; N277-M279 PolarHBondContact O-N 3.33Å; N277-M279 VanDerWaalsContact O-N 3.08Å; N277-T280 WeakPolarHBondContact CA-OG1 3.45Å; N277-T280 PolarHBondContact N-OG1 3.47Å; N277-T280 WeakPolarHBondContact O-CA 3.47Å; N277-T280 PolarHBondContact O-N 3.09Å; N277-T280 PolarHBondContact O-OG1 2.89Å; N277-E281 PolarHBondContact O-N 3.21Å
278A85.1Confident87.7Confident81 Ų8138.6 Ų38.667%0.66921%0.209SC*.Hα-helixtrans-51.6-38.8-177.100000114.8E281 S282A278-E281 PolarHBondContact O-N 3.14Å; A278-S282 PolarHBondContact O-N 3.19Å
279M84.2Confident87.8Confident69 Ų6939 Ų3934%0.3422%0.215SC..Hα-helixtrans-70.9-33.3176.1-178.2-173-78.900113.4N277 S282 V283 G410N277-M279 VanDerWaalsContact C-N 3.27Å; N277-M279 PolarHBondContact O-N 3.33Å; N277-M279 VanDerWaalsContact O-N 3.08Å; M279-S282 PolarHBondContact O-OG 3.5Å; M279-V283 WeakPolarHBondContact O-CG2 3.27Å; M279-V283 PolarHBondContact O-N 3.1Å; M279-G410 WeakPolarHBondContact SD-CA 3.27Å
280T86.9Confident87.6Confident7 Ų739.7 Ų39.74%0.04322%0.22CC..Hα-helixtrans-73.5-34.2172.7500000110.8P275 N277 V283 V284 L406P275-T280 HydrophobicContact CG-CG2 4.21Å; P275-T280 PolarHBondContact O-OG1 3.26Å; P275-T280 VanDerWaalsContact O-OG1 3.06Å; N277-T280 WeakPolarHBondContact CA-OG1 3.45Å; N277-T280 PolarHBondContact N-OG1 3.47Å; N277-T280 WeakPolarHBondContact O-CA 3.47Å; N277-T280 PolarHBondContact O-N 3.09Å; N277-T280 PolarHBondContact O-OG1 2.89Å; T280-V283 PolarHBondContact O-N 2.98Å; T280-V284 WeakPolarHBondContact O-CB 3.09Å; T280-V284 VanDerWaalsContact O-CG2 3.32Å; T280-V284 WeakPolarHBondContact O-CG2 3.28Å; T280-V284 PolarHBondContact O-N 3.3Å; T280-L406 HydrophobicContact CG2-CB 3.54Å; T280-L406 HydrophobicContact CG2-CD1 4.07Å; T280-L406 HydrophobicContact CG2-CG 4.46Å
281E87.3Confident87.4Confident96 Ų9638.1 Ų38.145%0.44922%0.215SC..Hα-helixtrans-69.2-36.4174.2-67.7-169.315200112.8Y273 N277 A278 V284 K285Y273-E281 HydrophobicContact CE2-CG 4.5Å; N277-E281 PolarHBondContact O-N 3.21Å; A278-E281 PolarHBondContact O-N 3.14Å; E281-V284 PolarHBondContact O-N 2.89Å; E281-K285 WeakPolarHBondContact O-CB 3.28Å; E281-K285 PolarHBondContact O-N 3.17Å
282S86.7Confident87Confident23 Ų2342.7 Ų42.716%0.16124%0.236CC..Hα-helixtrans-64.6-42.5173.462.70000111.8A278 M279 K285 F286 S468A278-S282 PolarHBondContact O-N 3.19Å; M279-S282 PolarHBondContact O-OG 3.5Å; S282-K285 WeakPolarHBondContact O-CB 3.4Å; S282-K285 PolarHBondContact O-N 2.95Å; S282-F286 WeakPolarHBondContact O-CD2 3.4Å; S282-F286 PolarHBondContact O-N 3.12Å; S282-S468 PolarHBondContact OG-OG 3.11Å
283V88.9Confident86.6Confident3 Ų343.3 Ų43.32%0.01824%0.239CC..Hα-helixtrans-62.8-42.7173.6170.60000111.5M279 T280 F286 S287 V409 V461 I465M279-V283 WeakPolarHBondContact O-CG2 3.27Å; M279-V283 PolarHBondContact O-N 3.1Å; T280-V283 PolarHBondContact O-N 2.98Å; V283-F286 PolarHBondContact O-N 3.48Å; V283-S287 WeakPolarHBondContact O-CB 3.25Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 PolarHBondContact O-OG 3.05Å; V283-V409 HydrophobicContact CG2-CG1 4.07Å; V283-V461 HydrophobicContact CG1-CG1 4.32Å; V283-I465 HydrophobicContact CG1-CG1 3.75Å; V283-I465 HydrophobicContact CG2-CG1 4.1Å
284V88.3Confident86.2Confident14 Ų1444.2 Ų44.29%0.08525%0.245CC..Hα-helixtrans-65.7-41.3174.9167.90000111.6Y273 T280 E281 F286 S287 N288 F378 L406Y273-V284 HydrophobicContact CD1-CG2 4.08Å; Y273-V284 HydrophobicContact CD2-CG2 4.01Å; Y273-V284 HydrophobicContact CE1-CG1 4.13Å; Y273-V284 HydrophobicContact CE1-CG2 4.14Å; Y273-V284 HydrophobicContact CE2-CG2 4.06Å; Y273-V284 HydrophobicContact CG-CG2 4.01Å; T280-V284 WeakPolarHBondContact O-CB 3.09Å; T280-V284 VanDerWaalsContact O-CG2 3.32Å; T280-V284 WeakPolarHBondContact O-CG2 3.28Å; T280-V284 PolarHBondContact O-N 3.3Å; E281-V284 PolarHBondContact O-N 2.89Å; V284-F286 PolarHBondContact O-N 3.33Å; V284-S287 CarbonylContact O-C 3.6Å; V284-S287 WeakPolarHBondContact O-CB 3.32Å; V284-S287 PolarHBondContact O-N 2.99Å; V284-S287 VanDerWaalsContact O-N 3.14Å; V284-N288 VanDerWaalsContact O-CB 3.31Å; V284-N288 WeakPolarHBondContact O-CB 3.33Å; V284-N288 PolarHBondContact O-N 3.32Å; V284-F378 HydrophobicContact CG1-CB 3.84Å; V284-F378 HydrophobicContact CG1-CD1 3.91Å; V284-F378 HydrophobicContact CG1-CD2 4.02Å; V284-F378 HydrophobicContact CG1-CE1 4.45Å; V284-F378 HydrophobicContact CG1-CG 3.67Å; V284-F378 HydrophobicContact CG2-CD1 4.27Å; V284-F378 HydrophobicContact CG2-CE1 4.47Å; V284-L406 HydrophobicContact CG2-CD1 4.41Å
285K88.3Confident85.9Confident150 Ų15046.3 Ų46.365%0.65226%0.256SS*.Hα-helixtrans-57.3-46.1175.2175.4-175.9177-173.50111.5E281 S282 N288E281-K285 WeakPolarHBondContact O-CB 3.28Å; E281-K285 PolarHBondContact O-N 3.17Å; S282-K285 WeakPolarHBondContact O-CB 3.4Å; S282-K285 PolarHBondContact O-N 2.95Å; K285-N288 PolarHBondContact O-N 3.49Å
286F87.5Confident85.7Confident37 Ų3746.9 Ų46.916%0.16226%0.255CS..Hα-helixtrans-70.2-34.9173.9-71.4-58.5000113.5S282 V283 V284 N288 K467 E471 F601S282-F286 WeakPolarHBondContact O-CD2 3.4Å; S282-F286 PolarHBondContact O-N 3.12Å; V283-F286 PolarHBondContact O-N 3.48Å; V284-F286 PolarHBondContact O-N 3.33Å; F286-N288 VanDerWaalsContact C-N 3.31Å; F286-N288 PolarHBondContact O-N 3.27Å; F286-K467 HydrophobicContact CB-CB 4.2Å; F286-K467 HydrophobicContact CB-CD 4.22Å; F286-K467 HydrophobicContact CD1-CB 3.92Å; F286-K467 HydrophobicContact CD1-CD 3.98Å; F286-K467 HydrophobicContact CD2-CB 3.82Å; F286-K467 HydrophobicContact CE1-CB 4.24Å; F286-K467 HydrophobicContact CE2-CB 4.16Å; F286-K467 HydrophobicContact CG-CB 3.71Å; F286-K467 HydrophobicContact CG-CD 4.22Å; F286-K467 HydrophobicContact CZ-CB 4.36Å; F286-E471 WeakPolarHBondContact CE2-OE2 3.28Å; F286-E471 VanDerWaalsContact CZ-OE2 3.25Å; F286-E471 WeakPolarHBondContact CZ-OE2 3.44Å; F286-F601 HydrophobicContact CE1-CE2 4.17Å; F286-F601 HydrophobicContact CE1-CZ 4.28Å; F286-F601 HydrophobicContact CZ-CZ 4.34Å
287S88Confident85.8Confident2 Ų246.5 Ų46.51%0.01425%0.246CC..Hα-helixtrans-66.4-32.8175.4-57.30000112.3V283 V284 A289 M460V283-S287 WeakPolarHBondContact O-CB 3.25Å; V283-S287 PolarHBondContact O-N 2.78Å; V283-S287 PolarHBondContact O-OG 3.05Å; V284-S287 CarbonylContact O-C 3.6Å; V284-S287 WeakPolarHBondContact O-CB 3.32Å; V284-S287 PolarHBondContact O-N 2.99Å; V284-S287 VanDerWaalsContact O-N 3.14Å; S287-A289 VanDerWaalsContact C-N 3.29Å; S287-A289 PolarHBondContact O-N 3.17Å; S287-M460 WeakPolarHBondContact O-CE 3.33Å; S287-M460 PolarHBondContact OG-O 3.22Å
288N87.1Confident85.7Confident64 Ų6442.5 Ų42.534%0.34222%0.224SC..Hα-helixtrans-73.3-16.6-176.7-16338.9000113.7V284 K285 F286 S290 F291 E292 F378V284-N288 VanDerWaalsContact O-CB 3.31Å; V284-N288 WeakPolarHBondContact O-CB 3.33Å; V284-N288 PolarHBondContact O-N 3.32Å; K285-N288 PolarHBondContact O-N 3.49Å; F286-N288 VanDerWaalsContact C-N 3.31Å; F286-N288 PolarHBondContact O-N 3.27Å; N288-S290 PolarHBondContact O-N 2.73Å; N288-S290 VanDerWaalsContact O-N 3.15Å; N288-F291 WeakPolarHBondContact O-CA 3.33Å; N288-F291 PolarHBondContact O-N 2.76Å; N288-E292 PolarHBondContact O-N 3.21Å; N288-F378 HydrophobicContact CB-CD2 4.31Å; N288-F378 HydrophobicContact CB-CE2 4.27Å
289A81.8Confident85.8Confident25 Ų2542.1 Ų42.121%0.20721%0.208CC..Hα-helixtrans-54.5-35.7-178.700000113.4S287 F291 E292 E293S287-A289 VanDerWaalsContact C-N 3.29Å; S287-A289 PolarHBondContact O-N 3.17Å; A289-F291 VanDerWaalsContact C-N 3.34Å; A289-F291 PolarHBondContact O-N 3.11Å; A289-E292 WeakPolarHBondContact O-CB 3.26Å; A289-E292 PolarHBondContact O-N 2.9Å; A289-E293 PolarHBondContact O-N 3.3Å; A289-E293 VanDerWaalsContact O-N 3.16Å
290S81.5Confident85.9Confident14 Ų1439.6 Ų39.610%0.09820%0.196CC..Hα-helixtrans-72.5-24.6177.1-57.80000113.6N288N288-S290 PolarHBondContact O-N 2.73Å; N288-S290 VanDerWaalsContact O-N 3.15Å
291F84.8Confident85.7Confident25 Ų2539.9 Ų39.911%0.1120%0.199CC..Hα-helixtrans-81.7-27170.4-63-52.3000111.8I271 N288 A289 L294 D295 A375 R377 F378 M460I271-F291 HydrophobicContact CD1-CE2 3.84Å; I271-F291 HydrophobicContact CD1-CZ 4.01Å; N288-F291 WeakPolarHBondContact O-CA 3.33Å; N288-F291 PolarHBondContact O-N 2.76Å; A289-F291 VanDerWaalsContact C-N 3.34Å; A289-F291 PolarHBondContact O-N 3.11Å; F291-L294 PolarHBondContact O-N 3.46Å; F291-D295 PolarHBondContact O-N 3.28Å; F291-A375 WeakPolarHBondContact CB-O 3.46Å; F291-R377 HydrophobicContact CE2-CB 4.5Å; F291-F378 HydrophobicContact CD2-CD2 4.44Å; F291-F378 AromaticContact CD2-CE2 3.91Å; F291-F378 HydrophobicContact CD2-CE2 3.91Å; F291-F378 HydrophobicContact CE2-CD2 4.48Å; F291-F378 AromaticContact CE2-CE2 3.76Å; F291-F378 HydrophobicContact CE2-CE2 3.76Å; F291-F378 HydrophobicContact CE2-CZ 4.31Å; F291-M460 HydrophobicContact CD1-CE 4.49Å; F291-M460 HydrophobicContact CD2-CE 3.83Å; F291-M460 HydrophobicContact CE1-CE 4.15Å; F291-M460 HydrophobicContact CE2-CE 3.43Å; F291-M460 VanDerWaalsContact CE2-CE 3.43Å; F291-M460 HydrophobicContact CG-CE 4.34Å; F291-M460 HydrophobicContact CZ-CE 3.6Å; F291-M460 HydrophobicContact CZ-SD 4.38Å
292E83.9Confident85.6Confident96 Ų9639.3 Ų39.345%0.44919%0.193SC..Hα-helixtrans-62.5-43.8170.8-159.2-154.7132.700111.7N288 A289 L294 D295 R296N288-E292 PolarHBondContact O-N 3.21Å; A289-E292 WeakPolarHBondContact O-CB 3.26Å; A289-E292 PolarHBondContact O-N 2.9Å; E292-L294 PolarHBondContact O-N 3.28Å; E292-D295 PolarHBondContact O-N 3.02Å; E292-D295 VanDerWaalsContact O-N 3.1Å; E292-R296 WeakPolarHBondContact O-CG 3.28Å; E292-R296 PolarHBondContact O-N 2.87Å; E292-R296 IonicContact OE1-CZ 3.95Å; E292-R296 IonicContact OE1-NE 2.96Å; E292-R296 PolarHBondContact OE1-NE 3.43Å; E292-R296 IonicContact OE1-NH2 3.18Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å
293E84.4Confident85.5Confident13 Ų1338.5 Ų38.56%0.06119%0.187CC..Hα-helixtrans-57.4-34.2172.2-76.9178.8-14400112.5K67 N68 V70 V113 A289 L297K67-E293 VanDerWaalsContact CA-OE1 3.25Å; K67-E293 WeakPolarHBondContact CA-OE1 3.34Å; K67-E293 WeakPolarHBondContact CG-OE1 3.49Å; N68-E293 PolarHBondContact N-OE1 2.84Å; N68-E293 PolarHBondContact N-OE2 3.12Å; V70-E293 HydrophobicContact CB-CB 4.09Å; V70-E293 WeakPolarHBondContact CB-OE2 3.43Å; V70-E293 HydrophobicContact CG2-CB 4.03Å; V70-E293 HydrophobicContact CG2-CG 4.47Å; V70-E293 VanDerWaalsContact CG2-OE2 3.32Å; V70-E293 WeakPolarHBondContact CG2-OE2 3.34Å; V113-E293 HydrophobicContact CG1-CB 4.27Å; V113-E293 VanDerWaalsContact CG1-O 3.3Å; V113-E293 WeakPolarHBondContact CG1-O 3.37Å; A289-E293 PolarHBondContact O-N 3.3Å; A289-E293 VanDerWaalsContact O-N 3.16Å; E293-L297 PolarHBondContact O-N 3.48Å
294L83.3Confident85.2Confident38 Ų3839.7 Ų39.720%0.19920%0.197CC..Hα-helixtrans-74.9-32.6176.4-170144.2000112.6F291 E292 L297 K298 M370 V373 A375F291-L294 PolarHBondContact O-N 3.46Å; E292-L294 PolarHBondContact O-N 3.28Å; L294-L297 PolarHBondContact O-N 3.28Å; L294-K298 WeakPolarHBondContact O-CB 3.43Å; L294-K298 PolarHBondContact O-N 2.98Å; L294-M370 HydrophobicContact CD2-CE 4.35Å; L294-M370 HydrophobicContact CG-CE 4.41Å; L294-V373 HydrophobicContact CD2-CB 4.32Å; L294-V373 HydrophobicContact CD2-CG1 3.7Å; L294-A375 HydrophobicContact CD2-CB 4.46Å
295D85.4Confident84.9Confident50 Ų5039.6 Ų39.627%0.26720%0.198SC..Hα-helixtrans-71.9-36.5170.4-159.169000112F291 E292 L297 K298 Q299 A375F291-D295 PolarHBondContact O-N 3.28Å; E292-D295 PolarHBondContact O-N 3.02Å; E292-D295 VanDerWaalsContact O-N 3.1Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 3.31Å; D295-K298 CarbonylContact O-C 3.56Å; D295-K298 WeakPolarHBondContact O-CB 3.34Å; D295-K298 PolarHBondContact O-N 3.04Å; D295-K298 VanDerWaalsContact O-N 3.1Å; D295-Q299 WeakPolarHBondContact O-CB 3.37Å; D295-Q299 VanDerWaalsContact O-CG 3.3Å; D295-Q299 WeakPolarHBondContact O-CG 2.98Å; D295-Q299 PolarHBondContact O-N 3.1Å; D295-Q299 PolarHBondContact OD2-NE2 3.27Å; D295-A375 HydrophobicContact CB-CB 3.72Å
296R86.9Confident84.7Confident39 Ų3935 Ų3515%0.14718%0.183CC..Hα-helixtrans-56.2-47169.5-68.5172.3-177.6-136.9-3.2110.5V113 E116 H119 E292 K298 Q299 L300V113-R296 HydrophobicContact CG1-CB 4.2Å; E116-R296 IonicContact OE2-CZ 2.64Å; E116-R296 IonicContact OE2-NH1 3.95Å; E116-R296 PolarHBondContact OE2-NH1 3.03Å; E116-R296 IonicContact OE2-NH2 3.45Å; E116-R296 PolarHBondContact OE2-NH2 3.18Å; H119-R296 PolarHBondContact CE1-O 2.88Å; E292-R296 WeakPolarHBondContact O-CG 3.28Å; E292-R296 PolarHBondContact O-N 2.87Å; E292-R296 IonicContact OE1-CZ 3.95Å; E292-R296 IonicContact OE1-NE 2.96Å; E292-R296 PolarHBondContact OE1-NE 3.43Å; E292-R296 IonicContact OE1-NH2 3.18Å; E292-R296 PolarHBondContact OE1-NH2 3.02Å; R296-K298 VanDerWaalsContact C-N 3.35Å; R296-K298 PolarHBondContact O-N 3.03Å; R296-Q299 PolarHBondContact O-N 2.69Å; R296-L300 WeakPolarHBondContact O-CB 3.43Å; R296-L300 PolarHBondContact O-N 3.19Å
297L85.3Confident84.5Confident37 Ų3734.5 Ų34.519%0.19418%0.181CC..Hα-helixtrans-59-41.4173178.163000112.9V71 V109 V113 E293 L294 D295 L300 S301 M370V71-L297 HydrophobicContact CG2-CD2 4.29Å; V109-L297 HydrophobicContact CG1-CD1 3.51Å; V113-L297 HydrophobicContact CG2-CB 3.85Å; V113-L297 HydrophobicContact CG2-CD1 3.85Å; V113-L297 HydrophobicContact CG2-CG 4.45Å; E293-L297 PolarHBondContact O-N 3.48Å; L294-L297 PolarHBondContact O-N 3.28Å; D295-L297 VanDerWaalsContact C-N 3.33Å; D295-L297 PolarHBondContact O-N 3.31Å; L297-L300 PolarHBondContact O-N 3.44Å; L297-S301 PolarHBondContact O-N 3.33Å; L297-S301 PolarHBondContact O-OG 2.85Å; L297-M370 HydrophobicContact CB-CE 4.42Å; L297-M370 HydrophobicContact CD2-CE 3.9Å; L297-M370 HydrophobicContact CD2-SD 4.44Å; L297-M370 HydrophobicContact CG-CE 3.94Å
298K84.9Confident84Confident9 Ų935.1 Ų35.14%0.03918%0.184CC..Hα-helixtrans-64.4-45.2177.1179.5174.7-178.2136.10112.1L294 D295 R296 L300 S301 R302 M370 D371 V373L294-K298 WeakPolarHBondContact O-CB 3.43Å; L294-K298 PolarHBondContact O-N 2.98Å; D295-K298 CarbonylContact O-C 3.56Å; D295-K298 WeakPolarHBondContact O-CB 3.34Å; D295-K298 PolarHBondContact O-N 3.04Å; D295-K298 VanDerWaalsContact O-N 3.1Å; R296-K298 VanDerWaalsContact C-N 3.35Å; R296-K298 PolarHBondContact O-N 3.03Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 3.4Å; K298-S301 PolarHBondContact O-N 3.41Å; K298-S301 PolarHBondContact O-OG 3.36Å; K298-R302 WeakPolarHBondContact O-CG 3.08Å; K298-R302 PolarHBondContact O-N 2.95Å; K298-R302 VanDerWaalsContact O-N 3.1Å; K298-M370 HydrophobicContact CB-CB 4.44Å; K298-M370 HydrophobicContact CB-CE 4.12Å; K298-M370 WeakPolarHBondContact CE-O 3.18Å; K298-M370 HydrophobicContact CG-CB 4.24Å; K298-M370 PolarHBondContact NZ-O 2.9Å; K298-D371 PolarHBondContact NZ-O 3.29Å; K298-D371 VanDerWaalsContact NZ-O 3.17Å; K298-V373 PolarHBondContact NZ-O 2.86Å
299Q85.8Confident83.8Confident73 Ų7333.9 Ų33.934%0.34118%0.179SC..Hα-helixtrans-60.2-42.5172.5-68.7171.125.300111.4H119 V123 D295 R296 R302 A303H119-Q299 PolarHBondContact NE2-OE1 2.89Å; V123-Q299 HydrophobicContact CG2-CB 4.41Å; D295-Q299 WeakPolarHBondContact O-CB 3.37Å; D295-Q299 VanDerWaalsContact O-CG 3.3Å; D295-Q299 WeakPolarHBondContact O-CG 2.98Å; D295-Q299 PolarHBondContact O-N 3.1Å; D295-Q299 PolarHBondContact OD2-NE2 3.27Å; R296-Q299 PolarHBondContact O-N 2.69Å; Q299-R302 PolarHBondContact O-N 2.75Å; Q299-A303 WeakPolarHBondContact O-CB 3.45Å; Q299-A303 PolarHBondContact O-N 3.01Å
300L86.6Confident83.8Confident16 Ų1635.5 Ų35.58%0.08418%0.181CC..Hα-helixtrans-63.7-44.3178.5-174.169.5000111.7F112 V113 V122 R296 L297 K298 A303 A304F112-L300 HydrophobicContact CB-CD1 4.27Å; F112-L300 HydrophobicContact CB-CD2 3.63Å; V113-L300 HydrophobicContact CG2-CD2 3.89Å; V122-L300 HydrophobicContact CB-CD1 3.96Å; V122-L300 HydrophobicContact CG1-CD1 3.74Å; V122-L300 HydrophobicContact CG2-CD1 4.42Å; R296-L300 WeakPolarHBondContact O-CB 3.43Å; R296-L300 PolarHBondContact O-N 3.19Å; L297-L300 PolarHBondContact O-N 3.44Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 3.4Å; L300-A303 PolarHBondContact O-N 2.9Å; L300-A304 WeakPolarHBondContact O-CB 3.37Å; L300-A304 PolarHBondContact O-N 3.4Å
301S83.7Confident83.6Confident14 Ų1435.6 Ų35.610%0.09818%0.181CC..Hα-helixtrans-64.3-41.1177.167.60000112.5L297 K298 A304 A305L297-S301 PolarHBondContact O-N 3.33Å; L297-S301 PolarHBondContact O-OG 2.85Å; K298-S301 PolarHBondContact O-N 3.41Å; K298-S301 PolarHBondContact O-OG 3.36Å; S301-A304 PolarHBondContact O-N 3.04Å; S301-A305 WeakPolarHBondContact O-CB 3.4Å; S301-A305 PolarHBondContact O-N 2.67Å
302R84.3Confident83.2Confident84 Ų8439 Ų3932%0.31720%0.197SC..Hα-helixtrans-61.3-43.6171.2-72.6169.4165.7-171.4-8.5112.2K298 Q299 T306 D371K298-R302 WeakPolarHBondContact O-CG 3.08Å; K298-R302 PolarHBondContact O-N 2.95Å; K298-R302 VanDerWaalsContact O-N 3.1Å; Q299-R302 PolarHBondContact O-N 2.75Å; R302-T306 VanDerWaalsContact O-CB 3.28Å; R302-T306 WeakPolarHBondContact O-CB 3.44Å; R302-T306 PolarHBondContact O-N 3.47Å; R302-T306 PolarHBondContact O-OG1 3.42Å; R302-D371 IonicContact CZ-OD1 2.81Å; R302-D371 IonicContact CZ-OD2 2.83Å; R302-D371 IonicContact NE-OD1 3.12Å; R302-D371 PolarHBondContact NE-OD1 3.03Å; R302-D371 IonicContact NE-OD2 2.67Å; R302-D371 IonicContact NH2-OD1 2.8Å; R302-D371 PolarHBondContact NH2-OD1 2.86Å; R302-D371 IonicContact NH2-OD2 2.66Å; R302-D371 PolarHBondContact NH2-OD2 2.79Å
303A84.6Confident83Confident5 Ų539.5 Ų39.54%0.04121%0.207CC..Hα-helixtrans-63.2-47.2177.800000111.3V122 V123 A126 Q299 L300 T306 I307V122-A303 HydrophobicContact CG1-CB 4.19Å; V123-A303 HydrophobicContact CG2-CB 4.18Å; A126-A303 HydrophobicContact CB-CB 3.75Å; Q299-A303 WeakPolarHBondContact O-CB 3.45Å; Q299-A303 PolarHBondContact O-N 3.01Å; L300-A303 PolarHBondContact O-N 2.9Å; A303-T306 PolarHBondContact O-N 3.17Å; A303-T306 VanDerWaalsContact O-N 3.17Å; A303-I307 VanDerWaalsContact O-CG1 3.3Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 3.34Å
304A83.2Confident82.8Confident29 Ų2941.7 Ų41.724%0.2422%0.219CC..Hα-helixtrans-59.9-46.9176.400000112.3L300 S301 T306 I307 L308 L363L300-A304 WeakPolarHBondContact O-CB 3.37Å; L300-A304 PolarHBondContact O-N 3.4Å; S301-A304 PolarHBondContact O-N 3.04Å; A304-T306 VanDerWaalsContact C-N 3.31Å; A304-T306 PolarHBondContact O-N 2.83Å; A304-I307 PolarHBondContact O-N 2.84Å; A304-L308 WeakPolarHBondContact O-CB 3.46Å; A304-L308 PolarHBondContact O-N 2.92Å; A304-L363 HydrophobicContact CB-CD2 4.39Å
305A82.3Confident82.5Confident11 Ų1142.6 Ų42.69%0.09123%0.232CC..Hα-helixtrans-63-36.2174.700000112.4S301 T309 A367S301-A305 WeakPolarHBondContact O-CB 3.4Å; S301-A305 PolarHBondContact O-N 2.67Å; A305-T309 WeakPolarHBondContact O-CB 3.36Å; A305-T309 VanDerWaalsContact O-CG2 3.24Å; A305-T309 WeakPolarHBondContact O-CG2 3.36Å; A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 PolarHBondContact O-OG1 3.31Å; A305-A367 HydrophobicContact CB-CB 3.89Å
306T84.3Confident82.2Confident55 Ų5544.8 Ų44.834%0.33725%0.247SC..Hα-helixtrans-69.4-39.3176.1-59.80000112.2A126 R302 A303 A304 T309 K310A126-T306 HydrophobicContact CB-CG2 4.22Å; R302-T306 VanDerWaalsContact O-CB 3.28Å; R302-T306 WeakPolarHBondContact O-CB 3.44Å; R302-T306 PolarHBondContact O-N 3.47Å; R302-T306 PolarHBondContact O-OG1 3.42Å; A303-T306 PolarHBondContact O-N 3.17Å; A303-T306 VanDerWaalsContact O-N 3.17Å; A304-T306 VanDerWaalsContact C-N 3.31Å; A304-T306 PolarHBondContact O-N 2.83Å; T306-T309 WeakPolarHBondContact CA-OG1 3.44Å; T306-T309 PolarHBondContact O-OG1 2.93Å; T306-T309 VanDerWaalsContact O-OG1 3.08Å; T306-K310 HydrophobicContact CG2-CD 4.31Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 VanDerWaalsContact O-CG 3.24Å; T306-K310 WeakPolarHBondContact O-CG 3.31Å; T306-K310 PolarHBondContact O-N 2.89Å
307I82Confident81.8Confident26 Ų2643.3 Ų43.313%0.13324%0.242CC..Hα-helixtrans-64.6-46.8173.9-70.4163000109.9V122 L125 A126 A303 A304 K310 L311 F317V122-I307 HydrophobicContact CG1-CD1 4.11Å; L125-I307 HydrophobicContact CB-CD1 4.24Å; L125-I307 HydrophobicContact CD2-CD1 4.09Å; L125-I307 HydrophobicContact CG-CD1 4.01Å; L125-I307 HydrophobicContact CG-CG1 4.45Å; A126-I307 HydrophobicContact CB-CD1 4.09Å; A126-I307 HydrophobicContact CB-CG1 3.83Å; A303-I307 VanDerWaalsContact O-CG1 3.3Å; A303-I307 WeakPolarHBondContact O-CG1 3.43Å; A303-I307 PolarHBondContact O-N 3.34Å; A304-I307 PolarHBondContact O-N 2.84Å; I307-K310 PolarHBondContact O-N 3.48Å; I307-L311 HydrophobicContact CG2-CD1 4.01Å; I307-L311 WeakPolarHBondContact O-CG 3.38Å; I307-L311 PolarHBondContact O-N 3.19Å; I307-F317 HydrophobicContact CG2-CE1 4.13Å; I307-F317 HydrophobicContact CG2-CZ 4.34Å
308L79.1Confident81.3Confident14 Ų1444 Ų447%0.07324%0.244CC..Hα-helixtrans-70.3-40.1-177.5-156.391.6000112.7A304 K310 L311 H312 I353 Y360 L363A304-L308 WeakPolarHBondContact O-CB 3.46Å; A304-L308 PolarHBondContact O-N 2.92Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.79Å; L308-L311 PolarHBondContact O-N 3.24Å; L308-H312 WeakPolarHBondContact O-CB 3.27Å; L308-H312 PolarHBondContact O-N 3.18Å; L308-I353 HydrophobicContact CD1-CG2 3.58Å; L308-Y360 VanDerWaalsContact CD2-CA 3.42Å; L308-Y360 HydrophobicContact CD2-CD2 4.01Å; L308-Y360 HydrophobicContact CD2-CG 4.32Å; L308-L363 HydrophobicContact CD1-CD1 4.3Å; L308-L363 HydrophobicContact CD2-CD1 4.07Å
309T82Confident81.1Confident38 Ų3849.6 Ų49.623%0.23327%0.27CS..Hα-helixtrans-62.8-39.1172.249.50000111.5A305 T306 H312 T313 Y360 T364A305-T309 WeakPolarHBondContact O-CB 3.36Å; A305-T309 VanDerWaalsContact O-CG2 3.24Å; A305-T309 WeakPolarHBondContact O-CG2 3.36Å; A305-T309 PolarHBondContact O-N 3.07Å; A305-T309 PolarHBondContact O-OG1 3.31Å; T306-T309 WeakPolarHBondContact CA-OG1 3.44Å; T306-T309 PolarHBondContact O-OG1 2.93Å; T306-T309 VanDerWaalsContact O-OG1 3.08Å; T309-H312 PolarHBondContact O-N 2.81Å; T309-T313 WeakPolarHBondContact O-CB 3.27Å; T309-T313 WeakPolarHBondContact O-CG2 3.44Å; T309-T313 PolarHBondContact O-N 2.86Å; T309-T313 PolarHBondContact O-OG1 3.34Å; T309-Y360 HydrophobicContact CG2-CE2 3.66Å; T309-T364 HydrophobicContact CG2-CG2 4.23Å
310K81.6Confident80.6Confident59 Ų5948 Ų4826%0.25727%0.27SS..Hα-helixtrans-63.6-43.2170.8-75.5176.1178.4-175.60112.2A126 T306 I307 L308 H312 T313 N314 F317A126-K310 PolarHBondContact O-NZ 3.49Å; T306-K310 HydrophobicContact CG2-CD 4.31Å; T306-K310 WeakPolarHBondContact O-CB 3.5Å; T306-K310 VanDerWaalsContact O-CG 3.24Å; T306-K310 WeakPolarHBondContact O-CG 3.31Å; T306-K310 PolarHBondContact O-N 2.89Å; I307-K310 PolarHBondContact O-N 3.48Å; L308-K310 VanDerWaalsContact C-N 3.33Å; L308-K310 PolarHBondContact O-N 2.79Å; K310-H312 VanDerWaalsContact C-N 3.29Å; K310-H312 PolarHBondContact O-N 2.97Å; K310-T313 PolarHBondContact O-N 3.14Å; K310-N314 WeakPolarHBondContact O-CA 3.46Å; K310-N314 WeakPolarHBondContact O-CB 3.38Å; K310-N314 PolarHBondContact O-N 3.39Å; K310-F317 HydrophobicContact CB-CB 4.18Å; K310-F317 HydrophobicContact CB-CD1 3.74Å; K310-F317 HydrophobicContact CB-CD2 4.19Å; K310-F317 HydrophobicContact CB-CE1 4.1Å; K310-F317 HydrophobicContact CB-CG 3.78Å; K310-F317 HydrophobicContact CB-CZ 4.46Å; K310-F317 HydrophobicContact CD-CD2 4.15Å; K310-F317 HydrophobicContact CD-CE2 4.14Å
311L76.9Confident80Confident17 Ų1748.5 Ų48.59%0.08927%0.271CS..Hα-helixtrans-62.9-30.4174.6-75.2167.9000113.5I307 L308 F317 Q318 F321I307-L311 HydrophobicContact CG2-CD1 4.01Å; I307-L311 WeakPolarHBondContact O-CG 3.38Å; I307-L311 PolarHBondContact O-N 3.19Å; L308-L311 PolarHBondContact O-N 3.24Å; L311-F317 HydrophobicContact CD2-CD1 3.78Å; L311-F317 HydrophobicContact CD2-CE1 3.99Å; L311-F317 HydrophobicContact CG-CD1 3.85Å; L311-F317 HydrophobicContact CG-CE1 3.82Å; L311-Q318 WeakPolarHBondContact O-CG 3.1Å; L311-Q318 PolarHBondContact O-NE2 2.86Å; L311-F321 HydrophobicContact CD2-CB 3.98Å; L311-F321 HydrophobicContact CD2-CD1 3.88Å; L311-F321 HydrophobicContact CD2-CG 3.92Å
312H76.5Confident79.5Confident97 Ų9750.3 Ų50.345%0.44928%0.28SS..Hα-helixtrans-88.2-28.3179.6-161.5-43.2000113.1L308 T309 K310 Y360L308-H312 WeakPolarHBondContact O-CB 3.27Å; L308-H312 PolarHBondContact O-N 3.18Å; T309-H312 PolarHBondContact O-N 2.81Å; K310-H312 VanDerWaalsContact C-N 3.29Å; K310-H312 PolarHBondContact O-N 2.97Å; H312-Y360 HydrophobicContact CB-CD2 4.32Å; H312-Y360 HydrophobicContact CB-CE2 4.4Å; H312-Y360 AromaticContact CD2-CD2 4Å
313T80.2Confident79.1Confident106 Ų10650.6 Ų50.665%0.6529%0.288SS*.Hα-helixtrans-115.3-24.8-170.6640000115.6T309 K310T309-T313 WeakPolarHBondContact O-CB 3.27Å; T309-T313 WeakPolarHBondContact O-CG2 3.44Å; T309-T313 PolarHBondContact O-N 2.86Å; T309-T313 PolarHBondContact O-OG1 3.34Å; K310-T313 PolarHBondContact O-N 3.14Å
314N79.9Confident78.4Confident59 Ų5951.9 Ų51.932%0.31629%0.294SS..  trans-111103.7-172.9-179.220.1000112K310 T316 F317 Q318K310-N314 WeakPolarHBondContact O-CA 3.46Å; K310-N314 WeakPolarHBondContact O-CB 3.38Å; K310-N314 PolarHBondContact O-N 3.39Å; N314-T316 PolarHBondContact ND2-OG1 2.96Å; N314-T316 PolarHBondContact O-N 3.48Å; N314-T316 VanDerWaalsContact O-N 3.15Å; N314-T316 PolarHBondContact OD1-N 3.06Å; N314-T316 PolarHBondContact OD1-OG1 2.89Å; N314-F317 HydrophobicContact CB-CB 4.19Å; N314-F317 WeakPolarHBondContact O-CB 3.34Å; N314-F317 PolarHBondContact O-N 3.23Å; N314-Q318 PolarHBondContact O-N 2.95Å; N314-Q318 VanDerWaalsContact O-N 3.08Å
315A76.5Confident77.7Confident57 Ų5751.7 Ų51.747%0.47129%0.289SS..Hα-helixtrans-54.2-33.2177.700000113.8F317 Q318 E319A315-F317 VanDerWaalsContact C-N 3.31Å; A315-F317 PolarHBondContact O-N 2.85Å; A315-Q318 WeakPolarHBondContact O-CB 3.22Å; A315-Q318 PolarHBondContact O-N 3.15Å; A315-E319 PolarHBondContact O-N 2.85Å
316T79.1Confident77.1Confident96 Ų9657 Ų5759%0.58931%0.309SS*.Hα-helixtrans-71.1-28178.864.20000112.8N314 A320N314-T316 PolarHBondContact ND2-OG1 2.96Å; N314-T316 PolarHBondContact O-N 3.48Å; N314-T316 VanDerWaalsContact O-N 3.15Å; N314-T316 PolarHBondContact OD1-N 3.06Å; N314-T316 PolarHBondContact OD1-OG1 2.89Å; T316-A320 WeakPolarHBondContact O-CB 3.46Å; T316-A320 PolarHBondContact O-N 2.75Å
317F79.3Confident76.3Confident8 Ų859.4 Ų59.44%0.03532%0.32CS..Hα-helixtrans-79.2-35.5174.4-161-95000111.1A129 F131 I307 K310 L311 N314 A315 F321A129-F317 HydrophobicContact CB-CD2 4.07Å; A129-F317 HydrophobicContact CB-CE2 3.74Å; F131-F317 AromaticContact CE1-CE1 3.98Å; F131-F317 HydrophobicContact CE1-CE1 3.98Å; F131-F317 HydrophobicContact CE1-CE2 4.41Å; F131-F317 AromaticContact CE1-CZ 3.81Å; F131-F317 HydrophobicContact CE1-CZ 3.81Å; F131-F317 HydrophobicContact CE2-CD2 4.34Å; F131-F317 HydrophobicContact CE2-CE2 4.05Å; F131-F317 HydrophobicContact CE2-CZ 4.27Å; F131-F317 HydrophobicContact CZ-CD1 4.01Å; F131-F317 AromaticContact CZ-CD2 3.99Å; F131-F317 HydrophobicContact CZ-CD2 3.99Å; F131-F317 AromaticContact CZ-CE1 3.6Å; F131-F317 HydrophobicContact CZ-CE1 3.6Å; F131-F317 AromaticContact CZ-CE2 3.59Å; F131-F317 HydrophobicContact CZ-CE2 3.59Å; F131-F317 HydrophobicContact CZ-CG 4.2Å; F131-F317 AromaticContact CZ-CZ 3.38Å; F131-F317 HydrophobicContact CZ-CZ 3.38Å; I307-F317 HydrophobicContact CG2-CE1 4.13Å; I307-F317 HydrophobicContact CG2-CZ 4.34Å; K310-F317 HydrophobicContact CB-CB 4.18Å; K310-F317 HydrophobicContact CB-CD1 3.74Å; K310-F317 HydrophobicContact CB-CD2 4.19Å; K310-F317 HydrophobicContact CB-CE1 4.1Å; K310-F317 HydrophobicContact CB-CG 3.78Å; K310-F317 HydrophobicContact CB-CZ 4.46Å; K310-F317 HydrophobicContact CD-CD2 4.15Å; K310-F317 HydrophobicContact CD-CE2 4.14Å; L311-F317 HydrophobicContact CD2-CD1 3.78Å; L311-F317 HydrophobicContact CD2-CE1 3.99Å; L311-F317 HydrophobicContact CG-CD1 3.85Å; L311-F317 HydrophobicContact CG-CE1 3.82Å; N314-F317 HydrophobicContact CB-CB 4.19Å; N314-F317 WeakPolarHBondContact O-CB 3.34Å; N314-F317 PolarHBondContact O-N 3.23Å; A315-F317 VanDerWaalsContact C-N 3.31Å; A315-F317 PolarHBondContact O-N 2.85Å; F317-F321 WeakPolarHBondContact O-CB 3.18Å; F317-F321 PolarHBondContact O-N 3.23Å
318Q74.7Confident75.4Confident51 Ų5159.4 Ų59.424%0.23832%0.324CS..Hα-helixtrans-59.5-52.5169.7-66.8173.8-15.900111.1L311 N314 A315 A320 F321 D322L311-Q318 WeakPolarHBondContact O-CG 3.1Å; L311-Q318 PolarHBondContact O-NE2 2.86Å; N314-Q318 PolarHBondContact O-N 2.95Å; N314-Q318 VanDerWaalsContact O-N 3.08Å; A315-Q318 WeakPolarHBondContact O-CB 3.22Å; A315-Q318 PolarHBondContact O-N 3.15Å; Q318-A320 VanDerWaalsContact C-N 3.34Å; Q318-A320 PolarHBondContact O-N 3.23Å; Q318-F321 PolarHBondContact O-N 3.45Å; Q318-D322 WeakPolarHBondContact O-CB 3.46Å; Q318-D322 PolarHBondContact O-N 3.31Å
319E79.5Confident74.5Confident126 Ų12663.6 Ų63.659%0.58934%0.342SS*.Hα-helixtrans-60.8-40.4178.7-74.7-175.3171.600112.6A315 F321 N323A315-E319 PolarHBondContact O-N 2.85Å; E319-F321 VanDerWaalsContact C-N 3.35Å; E319-F321 PolarHBondContact O-N 3.13Å; E319-N323 VanDerWaalsContact O-CB 3.22Å; E319-N323 WeakPolarHBondContact O-CB 3.47Å; E319-N323 PolarHBondContact O-N 3.16Å; E319-N323 PolarHBondContact O-ND2 3.39Å
320A75.8Confident73.8Confident41 Ų4163.4 Ų63.434%0.33934%0.342SS..Hα-helixtrans-61.7-42.3175.800000112.2F131 T316 Q318 L324F131-A320 HydrophobicContact CD2-CB 4.45Å; F131-A320 HydrophobicContact CE2-CB 3.75Å; F131-A320 HydrophobicContact CZ-CB 4.48Å; T316-A320 WeakPolarHBondContact O-CB 3.46Å; T316-A320 PolarHBondContact O-N 2.75Å; Q318-A320 VanDerWaalsContact C-N 3.34Å; Q318-A320 PolarHBondContact O-N 3.23Å; A320-L324 PolarHBondContact O-N 3.2Å
321F74.1Confident72.9Confident26 Ų2666 Ų6611%0.11437%0.365CS..Hα-helixtrans-71.2-45.2178.2-171.5-110.7000112.5F131 L311 F317 Q318 E319 N323 L324 L325 F350F131-F321 AromaticContact CD1-CD2 3.94Å; F131-F321 HydrophobicContact CD1-CD2 3.94Å; F131-F321 HydrophobicContact CE1-CB 4.15Å; F131-F321 AromaticContact CE1-CD2 3.56Å; F131-F321 HydrophobicContact CE1-CD2 3.56Å; F131-F321 HydrophobicContact CE1-CE2 4.44Å; F131-F321 HydrophobicContact CE1-CG 4.29Å; F131-F321 HydrophobicContact CZ-CB 4.12Å; F131-F321 HydrophobicContact CZ-CD2 4.37Å; L311-F321 HydrophobicContact CD2-CB 3.98Å; L311-F321 HydrophobicContact CD2-CD1 3.88Å; L311-F321 HydrophobicContact CD2-CG 3.92Å; F317-F321 WeakPolarHBondContact O-CB 3.18Å; F317-F321 PolarHBondContact O-N 3.23Å; Q318-F321 PolarHBondContact O-N 3.45Å; E319-F321 VanDerWaalsContact C-N 3.35Å; E319-F321 PolarHBondContact O-N 3.13Å; F321-N323 VanDerWaalsContact C-N 3.27Å; F321-N323 PolarHBondContact O-N 2.88Å; F321-L324 CarbonylContact O-C 3.33Å; F321-L324 WeakPolarHBondContact O-CA 3.42Å; F321-L324 WeakPolarHBondContact O-CB 3.48Å; F321-L324 PolarHBondContact O-N 3.34Å; F321-L325 HydrophobicContact CD1-CD1 3.95Å; F321-L325 HydrophobicContact CE1-CD1 3.7Å; F321-L325 HydrophobicContact CE1-CG 4.24Å; F321-L325 HydrophobicContact CZ-CD1 4.4Å; F321-L325 PolarHBondContact O-N 3.47Å; F321-F350 HydrophobicContact CE1-CB 4.07Å; F321-F350 HydrophobicContact CE1-CD1 4.01Å; F321-F350 AromaticContact CE1-CG 3.96Å; F321-F350 HydrophobicContact CE1-CG 3.96Å; F321-F350 HydrophobicContact CZ-CB 4.37Å; F321-F350 AromaticContact CZ-CD1 3.61Å; F321-F350 HydrophobicContact CZ-CD1 3.61Å; F321-F350 HydrophobicContact CZ-CD2 4.05Å; F321-F350 AromaticContact CZ-CE1 3.8Å; F321-F350 HydrophobicContact CZ-CE1 3.8Å; F321-F350 HydrophobicContact CZ-CE2 4.21Å; F321-F350 AromaticContact CZ-CG 3.75Å; F321-F350 HydrophobicContact CZ-CG 3.75Å; F321-F350 HydrophobicContact CZ-CZ 4.1Å
322D74.1Confident72.1Confident52 Ų5270.9 Ų70.928%0.27839%0.39SS..Hα-helixtrans-60.8-36.4175.5-75.6-3.1000111.8Q318 L324 L325 K326Q318-D322 WeakPolarHBondContact O-CB 3.46Å; Q318-D322 PolarHBondContact O-N 3.31Å; D322-L324 VanDerWaalsContact C-N 3.32Å; D322-L325 PolarHBondContact O-N 3.12Å; D322-K326 WeakPolarHBondContact O-CD 3.36Å; D322-K326 WeakPolarHBondContact O-CE 3.32Å; D322-K326 VanDerWaalsContact O-CG 3.24Å; D322-K326 WeakPolarHBondContact O-CG 3.21Å; D322-K326 PolarHBondContact O-N 3.44Å
323N75.9Confident71.4Confident89 Ų8968.5 Ų68.548%0.47638%0.382SS..Hα-helixtrans-69.9-30174.9-70.9-24.4000112.2E319 F321 K326 L327E319-N323 VanDerWaalsContact O-CB 3.22Å; E319-N323 WeakPolarHBondContact O-CB 3.47Å; E319-N323 PolarHBondContact O-N 3.16Å; E319-N323 PolarHBondContact O-ND2 3.39Å; F321-N323 VanDerWaalsContact C-N 3.27Å; F321-N323 PolarHBondContact O-N 2.88Å; N323-K326 PolarHBondContact OD1-NZ 2.88Å; N323-L327 PolarHBondContact O-N 3.32Å
324L69.7Low70.4Confident32 Ų3267.7 Ų67.717%0.16837%0.37CS..Hα-helixtrans-74.8-37.1171.1-169.4142.5000112.6F131 I135 A320 F321 D322 K326 L327 A328F131-L324 HydrophobicContact CB-CD1 3.61Å; I135-L324 HydrophobicContact CD1-CD1 3.87Å; I135-L324 HydrophobicContact CD1-CD2 3.4Å; I135-L324 VanDerWaalsContact CD1-CD2 3.4Å; I135-L324 HydrophobicContact CD1-CG 4.3Å; A320-L324 PolarHBondContact O-N 3.2Å; F321-L324 CarbonylContact O-C 3.33Å; F321-L324 WeakPolarHBondContact O-CA 3.42Å; F321-L324 WeakPolarHBondContact O-CB 3.48Å; F321-L324 PolarHBondContact O-N 3.34Å; D322-L324 VanDerWaalsContact C-N 3.32Å; L324-K326 VanDerWaalsContact C-N 3.28Å; L324-K326 PolarHBondContact O-N 3.11Å; L324-L327 CarbonylContact O-C 3.52Å; L324-L327 WeakPolarHBondContact O-CA 3.43Å; L324-L327 WeakPolarHBondContact O-CB 3.49Å; L324-L327 PolarHBondContact O-N 3.34Å; L324-A328 PolarHBondContact O-N 3.02Å
325L67.4Low69.7Low26 Ų2669.4 Ų69.414%0.13639%0.386CS..Hα-helixtrans-60.4-38.5170.7-73.9170.1000111.4F321 D322 L327 A328 K329 F350F321-L325 HydrophobicContact CD1-CD1 3.95Å; F321-L325 HydrophobicContact CE1-CD1 3.7Å; F321-L325 HydrophobicContact CE1-CG 4.24Å; F321-L325 HydrophobicContact CZ-CD1 4.4Å; F321-L325 PolarHBondContact O-N 3.47Å; D322-L325 PolarHBondContact O-N 3.12Å; L325-L327 VanDerWaalsContact C-N 3.34Å; L325-A328 PolarHBondContact O-N 2.93Å; L325-K329 WeakPolarHBondContact O-CG 3.47Å; L325-K329 PolarHBondContact O-N 3.45Å; L325-K329 VanDerWaalsContact O-N 3.1Å; L325-F350 HydrophobicContact CD2-CD2 4.22Å
326K70.6Confident68.8Low121 Ų12173.2 Ų73.253%0.52640%0.398SS..Hα-helixtrans-65.1-34.5170.2-67162.6-148.9158.60112.5D322 N323 L324 K329D322-K326 WeakPolarHBondContact O-CD 3.36Å; D322-K326 WeakPolarHBondContact O-CE 3.32Å; D322-K326 VanDerWaalsContact O-CG 3.24Å; D322-K326 WeakPolarHBondContact O-CG 3.21Å; D322-K326 PolarHBondContact O-N 3.44Å; N323-K326 PolarHBondContact OD1-NZ 2.88Å; L324-K326 VanDerWaalsContact C-N 3.28Å; L324-K326 PolarHBondContact O-N 3.11Å; K326-K329 PolarHBondContact O-N 2.78Å
327L67.4Low67.9Low106 Ų10670.8 Ų70.856%0.55538%0.383SS*.Hα-helixtrans-69.4-39.1175-156.776.7000111.8N323 L324 L325 K329 S330 V333N323-L327 PolarHBondContact O-N 3.32Å; L324-L327 CarbonylContact O-C 3.52Å; L324-L327 WeakPolarHBondContact O-CA 3.43Å; L324-L327 WeakPolarHBondContact O-CB 3.49Å; L324-L327 PolarHBondContact O-N 3.34Å; L325-L327 VanDerWaalsContact C-N 3.34Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 2.97Å; L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 3.39Å; L327-S330 PolarHBondContact O-OG 3.2Å; L327-V333 WeakPolarHBondContact O-CG2 3.28Å
328A62.9Low66.9Low27 Ų2771.9 Ų71.922%0.22340%0.397CS..Hα-helixtrans-65.1-30.2174.400000112.6L324 L325 S330 V333L324-A328 PolarHBondContact O-N 3.02Å; L325-A328 PolarHBondContact O-N 2.93Å; A328-S330 PolarHBondContact O-N 2.74Å; A328-V333 HydrophobicContact CB-CG1 4.49Å
329K59.9Low66.2Low102 Ų10276.5 Ų76.544%0.44342%0.423SS..THydrogen-bonded Turntrans-70.5-4.9169.7-75175.6169.8-179.40114.5L325 K326 L327 I343 E347L325-K329 WeakPolarHBondContact O-CG 3.47Å; L325-K329 PolarHBondContact O-N 3.45Å; L325-K329 VanDerWaalsContact O-N 3.1Å; K326-K329 PolarHBondContact O-N 2.78Å; L327-K329 VanDerWaalsContact C-N 3.28Å; L327-K329 PolarHBondContact O-N 2.97Å; K329-I343 HydrophobicContact CG-CG2 4Å; K329-E347 WeakPolarHBondContact CE-OE1 3.43Å; K329-E347 WeakPolarHBondContact CE-OE2 3.34Å; K329-E347 IonicContact NZ-OE1 2.62Å; K329-E347 PolarHBondContact NZ-OE1 3.01Å; K329-E347 IonicContact NZ-OE2 2.65Å; K329-E347 PolarHBondContact NZ-OE2 3.25Å
330S66.8Low65.2Low34 Ų3477.1 Ų77.124%0.23843%0.43CS..SBendtrans-69.5144.6174.973.60000111.4L327 A328 L332 V333 K334L327-S330 WeakPolarHBondContact O-CB 3.43Å; L327-S330 PolarHBondContact O-N 3.39Å; L327-S330 PolarHBondContact O-OG 3.2Å; A328-S330 PolarHBondContact O-N 2.74Å; S330-L332 PolarHBondContact O-N 2.72Å; S330-L332 VanDerWaalsContact O-N 3.13Å; S330-V333 PolarHBondContact O-N 3.5Å; S330-V333 VanDerWaalsContact O-N 3.16Å; S330-K334 PolarHBondContact O-N 2.84Å
331P63.5Low64.3Low113 Ų11377.7 Ų77.773%0.73443%0.425SS*.Hα-helixtrans-62.7-22.2179.825.2-34.5000113K334 S335P331-K334 PolarHBondContact O-N 2.93Å; P331-S335 PolarHBondContact O-N 2.97Å; P331-S335 VanDerWaalsContact O-N 3.13Å
332L60.7Low63.8Low119 Ų11981.2 Ų81.262%0.62345%0.445SS*.Hα-helixtrans-67.6-43.8176.9-157.7161000110.9S330 S335 L336S330-L332 PolarHBondContact O-N 2.72Å; S330-L332 VanDerWaalsContact O-N 3.13Å; L332-S335 PolarHBondContact O-N 2.78Å; L332-S335 PolarHBondContact O-OG 3.47Å; L332-L336 PolarHBondContact O-N 2.86Å
333V60.6Low63.2Low47 Ų4780.2 Ų80.229%0.28544%0.44SS..Hα-helixtrans-67.7-38.7175176.70000111.2L327 A328 S330 S335 L336 V337L327-V333 WeakPolarHBondContact O-CG2 3.28Å; A328-V333 HydrophobicContact CB-CG1 4.49Å; S330-V333 PolarHBondContact O-N 3.5Å; S330-V333 VanDerWaalsContact O-N 3.16Å; V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 2.97Å; V333-L336 PolarHBondContact O-N 3.3Å; V333-V337 HydrophobicContact CG1-CG2 3.88Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 2.84Å; V333-V337 VanDerWaalsContact O-N 3.1Å
334K59.8Low62.8Low90 Ų9077.4 Ų77.439%0.39143%0.432SS..Hα-helixtrans-55.4-40.8172.5-96.4-155.2164.8-146.10112.8S330 P331 L336 V337 G338 I343S330-K334 PolarHBondContact O-N 2.84Å; P331-K334 PolarHBondContact O-N 2.93Å; K334-L336 PolarHBondContact O-N 3.05Å; K334-V337 PolarHBondContact O-N 3.38Å; K334-G338 PolarHBondContact O-N 2.78Å; K334-I343 HydrophobicContact CG-CD1 3.85Å
335S65Low62.4Low94 Ų9480 Ų8066%0.65744%0.443SS*.Hα-helixtrans-69-16.1176.667.90000115.1P331 L332 V333P331-S335 PolarHBondContact O-N 2.97Å; P331-S335 VanDerWaalsContact O-N 3.13Å; L332-S335 PolarHBondContact O-N 2.78Å; L332-S335 PolarHBondContact O-OG 3.47Å; V333-S335 VanDerWaalsContact C-N 3.27Å; V333-S335 PolarHBondContact O-N 2.97Å
336L58.2Low62.2Low137 Ų13781 Ų8172%0.71745%0.448SS*.Hα-helixtrans-93.8-26.8176.7-117.177000113.6L332 V333 K334L332-L336 PolarHBondContact O-N 2.86Å; V333-L336 PolarHBondContact O-N 3.3Å; K334-L336 PolarHBondContact O-N 3.05Å
337V59.4Low62Low45 Ų4578.7 Ų78.727%0.27344%0.439SS..Hα-helixtrans-102.6-17.4-170.1-179.10000112.5V333 K334 F341V333-V337 HydrophobicContact CG1-CG2 3.88Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 2.84Å; V333-V337 VanDerWaalsContact O-N 3.1Å; K334-V337 PolarHBondContact O-N 3.38Å; V337-F341 HydrophobicContact CG1-CB 3.77Å; V337-F341 HydrophobicContact CG1-CD1 3.69Å; V337-F341 HydrophobicContact CG1-CD2 3.49Å; V337-F341 VanDerWaalsContact CG1-CD2 3.49Å; V337-F341 HydrophobicContact CG1-CE1 4.1Å; V337-F341 HydrophobicContact CG1-CE2 3.91Å; V337-F341 HydrophobicContact CG1-CG 3.37Å; V337-F341 HydrophobicContact CG1-CZ 4.2Å
338G59.9Low62Low32 Ų3280.5 Ų80.533%0.3344%0.438SS..  trans93.7155.3176.400000113.7K334 D340 F341K334-G338 PolarHBondContact O-N 2.78Å; G338-D340 PolarHBondContact O-N 2.76Å; G338-F341 PolarHBondContact O-N 3.29Å
339D58.4Low62Low147 Ų14780.7 Ų80.779%0.78644%0.437SS*.THydrogen-bonded Turntrans-68.5-18.8-171.9-79-45.9000114.3F341D339-F341 PolarHBondContact O-N 2.84Å
340D59.1Low62.5Low139 Ų13979.6 Ų79.674%0.74343%0.432SS*.THydrogen-bonded Turntrans-73.4-7.4178.8-54.1-47.1000114.1R148 G338 D342R148-D340 IonicContact NH2-OD2 2.68Å; G338-D340 PolarHBondContact O-N 2.76Å; D340-D342 PolarHBondContact O-N 3.15Å
341F57.5Low62.7Low54 Ų5482.7 Ų82.724%0.23744%0.443CS..  trans-88.497.4-176.9-111-100.1000112R148 V337 G338 D339 I343 I346R148-F341 HydrophobicContact CG-CE2 4.38Å; V337-F341 HydrophobicContact CG1-CB 3.77Å; V337-F341 HydrophobicContact CG1-CD1 3.69Å; V337-F341 HydrophobicContact CG1-CD2 3.49Å; V337-F341 VanDerWaalsContact CG1-CD2 3.49Å; V337-F341 HydrophobicContact CG1-CE1 4.1Å; V337-F341 HydrophobicContact CG1-CE2 3.91Å; V337-F341 HydrophobicContact CG1-CG 3.37Å; V337-F341 HydrophobicContact CG1-CZ 4.2Å; G338-F341 PolarHBondContact O-N 3.29Å; D339-F341 PolarHBondContact O-N 2.84Å; F341-I343 PolarHBondContact O-N 2.76Å; F341-I346 HydrophobicContact CD1-CD1 3.54Å; F341-I346 HydrophobicContact CE1-CD1 3.61Å
342D62.6Low63Low100 Ų10080.8 Ų80.854%0.53542%0.422SS..  trans-8087.9174.9-165-6.8000111.8D340 G344 E345D340-D342 PolarHBondContact O-N 3.15Å; D342-G344 PolarHBondContact O-N 3.18Å; D342-G344 PolarHBondContact OD1-N 3.26Å; D342-G344 VanDerWaalsContact OD1-N 3.1Å; D342-E345 HydrophobicContact CB-CG 3.98Å; D342-E345 WeakPolarHBondContact O-CB 3.25Å; D342-E345 PolarHBondContact O-N 2.76Å
343I62.7Low63.5Low30 Ų3077.6 Ų77.615%0.15441%0.405CS..Hα-helixtrans-54.7-24.5178-59.6165.7000111.9K329 K334 F341 E345 I346 E347K329-I343 HydrophobicContact CG-CG2 4Å; K334-I343 HydrophobicContact CG-CD1 3.85Å; F341-I343 PolarHBondContact O-N 2.76Å; I343-E345 VanDerWaalsContact C-N 3.27Å; I343-E345 PolarHBondContact O-N 2.73Å; I343-I346 PolarHBondContact O-N 2.81Å; I343-E347 PolarHBondContact O-N 2.88Å
344G66.4Low64.1Low30 Ų3079.3 Ų79.331%0.30941%0.406SS..Hα-helixtrans-71.1-17.3175.600000114.3D342 R348D342-G344 PolarHBondContact O-N 3.18Å; D342-G344 PolarHBondContact OD1-N 3.26Å; D342-G344 VanDerWaalsContact OD1-N 3.1Å; G344-R348 PolarHBondContact O-NE 3.32Å; G344-R348 PolarHBondContact O-NH2 2.66Å
345E62.3Low64.8Low88 Ų8879.2 Ų79.241%0.41141%0.413SS..Hα-helixtrans-81.3-45.2167.7-52.6-11599.500110D342 I343 E347 R348 V349D342-E345 HydrophobicContact CB-CG 3.98Å; D342-E345 WeakPolarHBondContact O-CB 3.25Å; D342-E345 PolarHBondContact O-N 2.76Å; I343-E345 VanDerWaalsContact C-N 3.27Å; I343-E345 PolarHBondContact O-N 2.73Å; E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.01Å; E345-R348 WeakPolarHBondContact O-CB 3.27Å; E345-R348 PolarHBondContact O-N 3.26Å; E345-R348 VanDerWaalsContact O-N 3.1Å; E345-R348 IonicContact OE1-CZ 3.27Å; E345-R348 VanDerWaalsContact OE1-CZ 3.26Å; E345-R348 IonicContact OE1-NH1 3.93Å; E345-R348 PolarHBondContact OE1-NH1 3.46Å; E345-R348 IonicContact OE1-NH2 2.9Å; E345-R348 PolarHBondContact OE1-NH2 3.12Å; E345-V349 WeakPolarHBondContact O-CB 3.46Å; E345-V349 VanDerWaalsContact O-CG2 3.24Å; E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 2.94Å
346I61.9Low65.1Low46 Ų4676 Ų7624%0.23639%0.389CS..Hα-helixtrans-60.2-39.7-178.1-65.7173.9000111.7F341 I343 V349 F350F341-I346 HydrophobicContact CD1-CD1 3.54Å; F341-I346 HydrophobicContact CE1-CD1 3.61Å; I343-I346 PolarHBondContact O-N 2.81Å; I346-V349 PolarHBondContact O-N 3.4Å; I346-F350 HydrophobicContact CG2-CD2 3.61Å; I346-F350 HydrophobicContact CG2-CE2 3.66Å; I346-F350 WeakPolarHBondContact O-CD2 3.45Å; I346-F350 PolarHBondContact O-N 2.87Å
347E67.2Low66.1Low73 Ų7375.5 Ų75.534%0.34138%0.383SS..Hα-helixtrans-65.5-43.9174.6-174168.5-125.900112.1K329 I343 E345 V349 F350 E351K329-E347 WeakPolarHBondContact CE-OE1 3.43Å; K329-E347 WeakPolarHBondContact CE-OE2 3.34Å; K329-E347 IonicContact NZ-OE1 2.62Å; K329-E347 PolarHBondContact NZ-OE1 3.01Å; K329-E347 IonicContact NZ-OE2 2.65Å; K329-E347 PolarHBondContact NZ-OE2 3.25Å; I343-E347 PolarHBondContact O-N 2.88Å; E345-E347 VanDerWaalsContact C-N 3.31Å; E345-E347 PolarHBondContact O-N 3.01Å; E347-V349 VanDerWaalsContact C-N 3.27Å; E347-V349 PolarHBondContact O-N 3.3Å; E347-F350 PolarHBondContact O-N 2.85Å; E347-E351 VanDerWaalsContact O-CB 3.27Å; E347-E351 WeakPolarHBondContact O-CB 3.46Å; E347-E351 PolarHBondContact O-N 2.88Å
348R67.4Low66.7Low143 Ų14375.3 Ų75.354%0.5438%0.38SS..Hα-helixtrans-58.8-39.8173-79.9178.9-84142.7-6.4111.6G344 E345 Y352G344-R348 PolarHBondContact O-NE 3.32Å; G344-R348 PolarHBondContact O-NH2 2.66Å; E345-R348 WeakPolarHBondContact O-CB 3.27Å; E345-R348 PolarHBondContact O-N 3.26Å; E345-R348 VanDerWaalsContact O-N 3.1Å; E345-R348 IonicContact OE1-CZ 3.27Å; E345-R348 VanDerWaalsContact OE1-CZ 3.26Å; E345-R348 IonicContact OE1-NH1 3.93Å; E345-R348 PolarHBondContact OE1-NH1 3.46Å; E345-R348 IonicContact OE1-NH2 2.9Å; E345-R348 PolarHBondContact OE1-NH2 3.12Å; R348-Y352 WeakPolarHBondContact O-CB 3.49Å; R348-Y352 PolarHBondContact O-N 2.71Å
349V63.3Low67.4Low31 Ų3174.8 Ų74.819%0.18837%0.369CS..Hα-helixtrans-70.5-48-178.71680000111.6I155 E345 I346 E347 Y352 I353I155-V349 HydrophobicContact CB-CG2 4.18Å; I155-V349 HydrophobicContact CD1-CG1 4.4Å; I155-V349 HydrophobicContact CD1-CG2 3.78Å; I155-V349 HydrophobicContact CG1-CB 4.38Å; I155-V349 HydrophobicContact CG1-CG1 3.94Å; I155-V349 HydrophobicContact CG1-CG2 3.57Å; I155-V349 HydrophobicContact CG2-CG2 3.59Å; E345-V349 WeakPolarHBondContact O-CB 3.46Å; E345-V349 VanDerWaalsContact O-CG2 3.24Å; E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 2.94Å; I346-V349 PolarHBondContact O-N 3.4Å; E347-V349 VanDerWaalsContact C-N 3.27Å; E347-V349 PolarHBondContact O-N 3.3Å; V349-Y352 PolarHBondContact O-N 2.81Å; V349-I353 HydrophobicContact CG1-CD1 3.79Å; V349-I353 WeakPolarHBondContact O-CB 3.4Å; V349-I353 VanDerWaalsContact O-CG1 3.27Å; V349-I353 WeakPolarHBondContact O-CG1 3.42Å; V349-I353 PolarHBondContact O-N 3.21Å
350F69.6Low68.4Low79 Ų7970.9 Ų70.935%0.34634%0.344SS..Hα-helixtrans-67.7-34.8176.1-81.4-60.9000112.5F321 L325 I346 E347 I353 R354F321-F350 HydrophobicContact CE1-CB 4.07Å; F321-F350 HydrophobicContact CE1-CD1 4.01Å; F321-F350 AromaticContact CE1-CG 3.96Å; F321-F350 HydrophobicContact CE1-CG 3.96Å; F321-F350 HydrophobicContact CZ-CB 4.37Å; F321-F350 AromaticContact CZ-CD1 3.61Å; F321-F350 HydrophobicContact CZ-CD1 3.61Å; F321-F350 HydrophobicContact CZ-CD2 4.05Å; F321-F350 AromaticContact CZ-CE1 3.8Å; F321-F350 HydrophobicContact CZ-CE1 3.8Å; F321-F350 HydrophobicContact CZ-CE2 4.21Å; F321-F350 AromaticContact CZ-CG 3.75Å; F321-F350 HydrophobicContact CZ-CG 3.75Å; F321-F350 HydrophobicContact CZ-CZ 4.1Å; L325-F350 HydrophobicContact CD2-CD2 4.22Å; I346-F350 HydrophobicContact CG2-CD2 3.61Å; I346-F350 HydrophobicContact CG2-CE2 3.66Å; I346-F350 WeakPolarHBondContact O-CD2 3.45Å; I346-F350 PolarHBondContact O-N 2.87Å; E347-F350 PolarHBondContact O-N 2.85Å; F350-I353 HydrophobicContact CD1-CD1 4.43Å; F350-I353 PolarHBondContact O-N 2.76Å; F350-R354 WeakPolarHBondContact O-CB 3.37Å; F350-R354 PolarHBondContact O-N 2.79Å
351E71.6Confident69.3Low99 Ų9965.4 Ų65.446%0.46332%0.315SS..Hα-helixtrans-67.1-37.5173-177.5144.3-117.700112.2E347 R354 T355E347-E351 VanDerWaalsContact O-CB 3.27Å; E347-E351 WeakPolarHBondContact O-CB 3.46Å; E347-E351 PolarHBondContact O-N 2.88Å; E351-R354 PolarHBondContact O-N 3.37Å; E351-R354 IonicContact OE1-CZ 3.02Å; E351-R354 IonicContact OE1-NH2 3.49Å; E351-R354 PolarHBondContact OE1-NH2 3.4Å; E351-T355 WeakPolarHBondContact O-CB 3.36Å; E351-T355 WeakPolarHBondContact O-CG2 3.4Å; E351-T355 PolarHBondContact O-N 3.41Å; E351-T355 PolarHBondContact O-OG1 2.78Å
352Y69.3Low70.2Confident74 Ų7465.1 Ų65.129%0.2932%0.315SS..Hα-helixtrans-67.3-42.4172.5-179.9-102.4000112.2V158 E162 R348 V349 R354 T355 N356 I359V158-Y352 HydrophobicContact CB-CE1 3.76Å; V158-Y352 HydrophobicContact CG1-CE1 3.82Å; V158-Y352 VanDerWaalsContact CG1-OH 3.29Å; V158-Y352 WeakPolarHBondContact CG1-OH 3.38Å; V158-Y352 HydrophobicContact CG2-CE1 4.17Å; E162-Y352 PolarHBondContact OE1-OH 3.38Å; R348-Y352 WeakPolarHBondContact O-CB 3.49Å; R348-Y352 PolarHBondContact O-N 2.71Å; V349-Y352 PolarHBondContact O-N 2.81Å; Y352-R354 VanDerWaalsContact C-N 3.29Å; Y352-R354 PolarHBondContact O-N 3.15Å; Y352-T355 PolarHBondContact O-N 2.81Å; Y352-T355 PolarHBondContact O-OG1 3.23Å; Y352-N356 HydrophobicContact CE2-CB 4.33Å; Y352-N356 VanDerWaalsContact CZ-ND2 3.29Å; Y352-N356 VanDerWaalsContact O-CB 3.26Å; Y352-N356 WeakPolarHBondContact O-CB 3.4Å; Y352-N356 PolarHBondContact O-N 2.96Å; Y352-N356 PolarHBondContact OH-ND2 3.15Å; Y352-I359 HydrophobicContact CD1-CD1 4.13Å; Y352-I359 HydrophobicContact CE1-CD1 3.94Å
353I70.9Confident71Confident52 Ų5263 Ų6327%0.26730%0.303SS..Hα-helixtrans-62.3-35.9172.5-70.7165.8000111.6L308 V349 F350 I359L308-I353 HydrophobicContact CD1-CG2 3.58Å; V349-I353 HydrophobicContact CG1-CD1 3.79Å; V349-I353 WeakPolarHBondContact O-CB 3.4Å; V349-I353 VanDerWaalsContact O-CG1 3.27Å; V349-I353 WeakPolarHBondContact O-CG1 3.42Å; V349-I353 PolarHBondContact O-N 3.21Å; F350-I353 HydrophobicContact CD1-CD1 4.43Å; F350-I353 PolarHBondContact O-N 2.76Å; I353-I359 HydrophobicContact CG1-CD1 4.11Å; I353-I359 HydrophobicContact CG2-CG2 4.49Å
354R73.1Confident71.9Confident83 Ų8363 Ų6331%0.31331%0.305SS..Hα-helixtrans-70.7-28.3176.7-176.5179.378133.7-1.9113.2F350 E351 Y352F350-R354 WeakPolarHBondContact O-CB 3.37Å; F350-R354 PolarHBondContact O-N 2.79Å; E351-R354 PolarHBondContact O-N 3.37Å; E351-R354 IonicContact OE1-CZ 3.02Å; E351-R354 IonicContact OE1-NH2 3.49Å; E351-R354 PolarHBondContact OE1-NH2 3.4Å; Y352-R354 VanDerWaalsContact C-N 3.29Å; Y352-R354 PolarHBondContact O-N 3.15Å
355T74Confident72.5Confident88 Ų8862 Ų6254%0.5429%0.293SS..Hα-helixtrans-109.6-23.2-171.753.40000114.5E351 Y352 Q357E351-T355 WeakPolarHBondContact O-CB 3.36Å; E351-T355 WeakPolarHBondContact O-CG2 3.4Å; E351-T355 PolarHBondContact O-N 3.41Å; E351-T355 PolarHBondContact O-OG1 2.78Å; Y352-T355 PolarHBondContact O-N 2.81Å; Y352-T355 PolarHBondContact O-OG1 3.23Å; T355-Q357 PolarHBondContact O-N 2.87Å
356N72.9Confident73.3Confident27 Ų2760.6 Ų60.614%0.14429%0.29CS..  trans-80.6102.7-179.2-165.9-12000111.5E162 Y352 L358 I359 Y360E162-N356 PolarHBondContact OE1-ND2 3.04Å; Y352-N356 HydrophobicContact CE2-CB 4.33Å; Y352-N356 VanDerWaalsContact CZ-ND2 3.29Å; Y352-N356 VanDerWaalsContact O-CB 3.26Å; Y352-N356 WeakPolarHBondContact O-CB 3.4Å; Y352-N356 PolarHBondContact O-N 2.96Å; Y352-N356 PolarHBondContact OH-ND2 3.15Å; N356-L358 PolarHBondContact O-N 2.84Å; N356-L358 VanDerWaalsContact O-N 3.11Å; N356-L358 VanDerWaalsContact OD1-CB 3.32Å; N356-L358 WeakPolarHBondContact OD1-CB 3.36Å; N356-L358 PolarHBondContact OD1-N 3.26Å; N356-I359 HydrophobicContact CB-CD1 4.11Å; N356-I359 HydrophobicContact CB-CG1 4.23Å; N356-I359 PolarHBondContact O-N 2.85Å; N356-Y360 PolarHBondContact O-N 2.75Å
357Q78.1Confident74.2Confident126 Ų12658.9 Ų58.959%0.58928%0.283SS*.Hα-helixtrans-56.2-26.2177.3-172.6176.3-19.200113.4T355 Y360 D361T355-Q357 PolarHBondContact O-N 2.87Å; Q357-Y360 PolarHBondContact O-N 2.83Å; Q357-D361 WeakPolarHBondContact O-CB 3.37Å; Q357-D361 PolarHBondContact O-N 3.3Å
358L72.6Confident74.9Confident40 Ų4058 Ų5821%0.20928%0.28CS..Hα-helixtrans-66.2-36.7175.6175.4144.7000112F169 N356 D361 I362F169-L358 HydrophobicContact CD1-CD1 4.16Å; N356-L358 PolarHBondContact O-N 2.84Å; N356-L358 VanDerWaalsContact O-N 3.11Å; N356-L358 VanDerWaalsContact OD1-CB 3.32Å; N356-L358 WeakPolarHBondContact OD1-CB 3.36Å; N356-L358 PolarHBondContact OD1-N 3.26Å; L358-D361 PolarHBondContact O-N 2.96Å; L358-I362 HydrophobicContact CD2-CD1 3.52Å; L358-I362 HydrophobicContact CG-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.35Å; L358-I362 WeakPolarHBondContact O-CD1 3.4Å; L358-I362 WeakPolarHBondContact O-CG1 3.44Å; L358-I362 PolarHBondContact O-N 2.97Å
359I74.1Confident75.4Confident22 Ų2253.6 Ų53.611%0.11327%0.268CS..Hα-helixtrans-69.6-37.5176.1-62.4176000110.6V158 Y352 I353 N356 I362 L363V158-I359 HydrophobicContact CG1-CD1 4.32Å; V158-I359 HydrophobicContact CG1-CG1 4.45Å; V158-I359 HydrophobicContact CG2-CD1 4.43Å; Y352-I359 HydrophobicContact CD1-CD1 4.13Å; Y352-I359 HydrophobicContact CE1-CD1 3.94Å; I353-I359 HydrophobicContact CG1-CD1 4.11Å; I353-I359 HydrophobicContact CG2-CG2 4.49Å; N356-I359 HydrophobicContact CB-CD1 4.11Å; N356-I359 HydrophobicContact CB-CG1 4.23Å; N356-I359 PolarHBondContact O-N 2.85Å; I359-I362 PolarHBondContact O-N 3.2Å; I359-L363 HydrophobicContact CG2-CD1 4.15Å; I359-L363 PolarHBondContact O-N 3.49Å
360Y79.4Confident76.3Confident65 Ų6553.6 Ų53.626%0.25527%0.266SS..Hα-helixtrans-62.7-47.6173175.9-81000112.3L308 T309 H312 N356 Q357 I362 L363 T364L308-Y360 VanDerWaalsContact CD2-CA 3.42Å; L308-Y360 HydrophobicContact CD2-CD2 4.01Å; L308-Y360 HydrophobicContact CD2-CG 4.32Å; T309-Y360 HydrophobicContact CG2-CE2 3.66Å; H312-Y360 HydrophobicContact CB-CD2 4.32Å; H312-Y360 HydrophobicContact CB-CE2 4.4Å; H312-Y360 AromaticContact CD2-CD2 4Å; N356-Y360 PolarHBondContact O-N 2.75Å; Q357-Y360 PolarHBondContact O-N 2.83Å; Y360-I362 VanDerWaalsContact C-N 3.3Å; Y360-I362 PolarHBondContact O-N 3.47Å; Y360-L363 PolarHBondContact O-N 2.77Å; Y360-T364 HydrophobicContact CD1-CG2 4.39Å; Y360-T364 HydrophobicContact CE1-CG2 4.01Å; Y360-T364 HydrophobicContact CE2-CG2 4.34Å; Y360-T364 WeakPolarHBondContact O-CB 3.29Å; Y360-T364 WeakPolarHBondContact O-CG2 3.44Å; Y360-T364 PolarHBondContact O-N 3.19Å; Y360-T364 PolarHBondContact O-OG1 3Å
361D78.4Confident76.6Confident24 Ų2451.8 Ų51.813%0.12826%0.26CS..Hα-helixtrans-66.5-32.6178.3-77-14.9000111.8I171 K172 Q357 L358 T364 T365I171-D361 HydrophobicContact CG2-CB 4.01Å; K172-D361 VanDerWaalsContact CE-CG 3.44Å; K172-D361 VanDerWaalsContact CE-OD1 3.22Å; K172-D361 WeakPolarHBondContact CE-OD1 3.47Å; K172-D361 WeakPolarHBondContact CE-OD2 3.35Å; K172-D361 IonicContact NZ-OD1 3.89Å; K172-D361 PolarHBondContact NZ-OD1 3.19Å; K172-D361 IonicContact NZ-OD2 3.21Å; K172-D361 PolarHBondContact NZ-OD2 3.12Å; Q357-D361 WeakPolarHBondContact O-CB 3.37Å; Q357-D361 PolarHBondContact O-N 3.3Å; L358-D361 PolarHBondContact O-N 2.96Å; D361-T364 PolarHBondContact O-OG1 2.86Å; D361-T365 WeakPolarHBondContact O-CB 3.3Å; D361-T365 VanDerWaalsContact O-CG2 3.29Å; D361-T365 WeakPolarHBondContact O-CG2 3.5Å; D361-T365 PolarHBondContact O-N 3.35Å; D361-T365 VanDerWaalsContact O-N 3.08Å; D361-T365 PolarHBondContact O-OG1 2.68Å
362I76.7Confident76.8Confident48 Ų4847.5 Ų47.525%0.24624%0.24CC..Hα-helixtrans-64.7-58.6171.5-71.3163.8000111.2F169 I171 L358 I359 Y360 T364 T365 V366F169-I362 HydrophobicContact CE1-CD1 4.41Å; F169-I362 HydrophobicContact CE1-CG1 4.36Å; I171-I362 HydrophobicContact CD1-CB 4.33Å; I171-I362 HydrophobicContact CD1-CG1 3.76Å; I171-I362 HydrophobicContact CD1-CG2 4.49Å; I171-I362 HydrophobicContact CG2-CG1 4.36Å; L358-I362 HydrophobicContact CD2-CD1 3.52Å; L358-I362 HydrophobicContact CG-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.35Å; L358-I362 WeakPolarHBondContact O-CD1 3.4Å; L358-I362 WeakPolarHBondContact O-CG1 3.44Å; L358-I362 PolarHBondContact O-N 2.97Å; I359-I362 PolarHBondContact O-N 3.2Å; Y360-I362 VanDerWaalsContact C-N 3.3Å; Y360-I362 PolarHBondContact O-N 3.47Å; I362-T364 VanDerWaalsContact C-N 3.26Å; I362-T364 PolarHBondContact O-N 2.88Å; I362-T365 PolarHBondContact O-N 2.74Å; I362-T365 PolarHBondContact O-OG1 2.95Å; I362-V366 HydrophobicContact CG2-CG2 4.22Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 VanDerWaalsContact O-CG2 3.3Å; I362-V366 WeakPolarHBondContact O-CG2 3.14Å; I362-V366 PolarHBondContact O-N 3.22Å
363L79.2Confident77.3Confident54 Ų5445.1 Ų45.128%0.28323%0.234SC..Hα-helixtrans-65.3-31.4-172.8-75.6170.1000112.5A304 L308 I359 Y360 A367A304-L363 HydrophobicContact CB-CD2 4.39Å; L308-L363 HydrophobicContact CD1-CD1 4.3Å; L308-L363 HydrophobicContact CD2-CD1 4.07Å; I359-L363 HydrophobicContact CG2-CD1 4.15Å; I359-L363 PolarHBondContact O-N 3.49Å; Y360-L363 PolarHBondContact O-N 2.77Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 2.83Å
364T81.8Confident77.7Confident30 Ų3044 Ų4418%0.18423%0.231CC..Hα-helixtrans-73.1-43.7174.1530000112.6T309 Y360 D361 I362 A367 D368T309-T364 HydrophobicContact CG2-CG2 4.23Å; Y360-T364 HydrophobicContact CD1-CG2 4.39Å; Y360-T364 HydrophobicContact CE1-CG2 4.01Å; Y360-T364 HydrophobicContact CE2-CG2 4.34Å; Y360-T364 WeakPolarHBondContact O-CB 3.29Å; Y360-T364 WeakPolarHBondContact O-CG2 3.44Å; Y360-T364 PolarHBondContact O-N 3.19Å; Y360-T364 PolarHBondContact O-OG1 3Å; D361-T364 PolarHBondContact O-OG1 2.86Å; I362-T364 VanDerWaalsContact C-N 3.26Å; I362-T364 PolarHBondContact O-N 2.88Å; T364-A367 PolarHBondContact O-N 2.84Å; T364-D368 PolarHBondContact O-N 3.07Å
365T78Confident77.9Confident10 Ų1040.7 Ų40.76%0.06122%0.221CC..Hα-helixtrans-69.1-32176.553.20000113.3I171 K172 D361 I362 L369I171-T365 HydrophobicContact CG2-CG2 4.27Å; K172-T365 HydrophobicContact CG-CG2 4.06Å; D361-T365 WeakPolarHBondContact O-CB 3.3Å; D361-T365 VanDerWaalsContact O-CG2 3.29Å; D361-T365 WeakPolarHBondContact O-CG2 3.5Å; D361-T365 PolarHBondContact O-N 3.35Å; D361-T365 VanDerWaalsContact O-N 3.08Å; D361-T365 PolarHBondContact O-OG1 2.68Å; I362-T365 PolarHBondContact O-N 2.74Å; I362-T365 PolarHBondContact O-OG1 2.95Å; T365-L369 VanDerWaalsContact O-CB 3.26Å; T365-L369 WeakPolarHBondContact O-CB 3.44Å; T365-L369 PolarHBondContact O-N 2.72Å
366V80Confident78.2Confident58 Ų5841 Ų4135%0.35222%0.22SC..Hα-helixtrans-65.7-41.4172.1170.50000111.2I362 L369 M370I362-V366 HydrophobicContact CG2-CG2 4.22Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 VanDerWaalsContact O-CG2 3.3Å; I362-V366 WeakPolarHBondContact O-CG2 3.14Å; I362-V366 PolarHBondContact O-N 3.22Å; V366-L369 PolarHBondContact O-N 2.85Å; V366-M370 HydrophobicContact CG1-CG 4.49Å; V366-M370 WeakPolarHBondContact O-CG 3.27Å; V366-M370 PolarHBondContact O-N 3.13Å
367A81.7Confident78.9Confident11 Ų1140.4 Ų40.49%0.09122%0.215CC..Hα-helixtrans-64.7-46.7174.600000112A305 L363 T364 L369 M370 D371A305-A367 HydrophobicContact CB-CB 3.89Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 2.83Å; T364-A367 PolarHBondContact O-N 2.84Å; A367-L369 PolarHBondContact O-N 3Å; A367-M370 PolarHBondContact O-N 3.19Å; A367-D371 WeakPolarHBondContact O-CB 3.43Å; A367-D371 PolarHBondContact O-N 3.29Å
368D80.8Confident79.4Confident53 Ų5335.6 Ų35.628%0.28319%0.192SC..Hα-helixtrans-58.5-33.7174.3-92.6-14.1000112.5Y242 T364 C372Y242-D368 HydrophobicContact CD1-CB 3.76Å; Y242-D368 WeakPolarHBondContact CD1-O 3.32Å; Y242-D368 HydrophobicContact CD2-CB 3.83Å; Y242-D368 WeakPolarHBondContact CD2-OD2 3.48Å; Y242-D368 HydrophobicContact CE1-CB 3.97Å; Y242-D368 HydrophobicContact CE2-CB 4.03Å; Y242-D368 HydrophobicContact CG-CB 3.7Å; T364-D368 PolarHBondContact O-N 3.07Å; D368-C372 PolarHBondContact O-SG 2.95Å
369L78.6Confident80.2Confident52 Ų5236 Ų3627%0.27219%0.193SC..Hα-helixtrans-75-46.2176.5-175.964.8000112.4F175 L246 T365 V366 A367 D371 C372F175-L369 HydrophobicContact CE2-CD1 3.99Å; F175-L369 HydrophobicContact CE2-CD2 4.08Å; F175-L369 HydrophobicContact CZ-CD1 4.35Å; F175-L369 HydrophobicContact CZ-CD2 4.17Å; L246-L369 HydrophobicContact CD2-CD1 3.61Å; T365-L369 VanDerWaalsContact O-CB 3.26Å; T365-L369 WeakPolarHBondContact O-CB 3.44Å; T365-L369 PolarHBondContact O-N 2.72Å; V366-L369 PolarHBondContact O-N 2.85Å; A367-L369 PolarHBondContact O-N 3Å; L369-D371 PolarHBondContact O-N 3.08Å; L369-C372 WeakPolarHBondContact O-CB 3.44Å; L369-C372 PolarHBondContact O-N 3.47Å
370M80.7Confident81Confident30 Ų3037.3 Ų37.315%0.14821%0.207CC..Hα-helixtrans-61.8-28.4174.6-71.7-58.2-6000111.8L294 L297 K298 V366 A367 C372 V373L294-M370 HydrophobicContact CD2-CE 4.35Å; L294-M370 HydrophobicContact CG-CE 4.41Å; L297-M370 HydrophobicContact CB-CE 4.42Å; L297-M370 HydrophobicContact CD2-CE 3.9Å; L297-M370 HydrophobicContact CD2-SD 4.44Å; L297-M370 HydrophobicContact CG-CE 3.94Å; K298-M370 HydrophobicContact CB-CB 4.44Å; K298-M370 HydrophobicContact CB-CE 4.12Å; K298-M370 WeakPolarHBondContact CE-O 3.18Å; K298-M370 HydrophobicContact CG-CB 4.24Å; K298-M370 PolarHBondContact NZ-O 2.9Å; V366-M370 HydrophobicContact CG1-CG 4.49Å; V366-M370 WeakPolarHBondContact O-CG 3.27Å; V366-M370 PolarHBondContact O-N 3.13Å; A367-M370 PolarHBondContact O-N 3.19Å; M370-C372 PolarHBondContact O-N 3.17Å; M370-V373 PolarHBondContact O-N 3.15Å; M370-V373 VanDerWaalsContact O-N 3.15Å
371D76.9Confident81.4Confident41 Ų4134.6 Ų34.622%0.21920%0.197CC..THydrogen-bonded Turntrans-64.3-23.6172.7-97.838.3000114K298 R302 A367 L369 V373K298-D371 PolarHBondContact NZ-O 3.29Å; K298-D371 VanDerWaalsContact NZ-O 3.17Å; R302-D371 IonicContact CZ-OD1 2.81Å; R302-D371 IonicContact CZ-OD2 2.83Å; R302-D371 IonicContact NE-OD1 3.12Å; R302-D371 PolarHBondContact NE-OD1 3.03Å; R302-D371 IonicContact NE-OD2 2.67Å; R302-D371 IonicContact NH2-OD1 2.8Å; R302-D371 PolarHBondContact NH2-OD1 2.86Å; R302-D371 IonicContact NH2-OD2 2.66Å; R302-D371 PolarHBondContact NH2-OD2 2.79Å; A367-D371 WeakPolarHBondContact O-CB 3.43Å; A367-D371 PolarHBondContact O-N 3.29Å; L369-D371 PolarHBondContact O-N 3.08Å; D371-V373 VanDerWaalsContact C-N 3.3Å; D371-V373 PolarHBondContact O-N 2.97Å
372C76.5Confident81.7Confident9 Ų941.7 Ų41.76%0.06123%0.23CC..THydrogen-bonded Turntrans-74.3-16.8174.6-58.30000113.9C243 I267 Q268 D368 L369 M370C243-C372 VanDerWaalsContact CA-SG 3.56Å; C243-C372 HydrophobicContact CB-CB 4.31Å; C243-C372 WeakPolarHBondContact CB-SG 3.28Å; I267-C372 WeakPolarHBondContact CG2-O 3.38Å; Q268-C372 PolarHBondContact NE2-O 2.85Å; D368-C372 PolarHBondContact O-SG 2.95Å; L369-C372 WeakPolarHBondContact O-CB 3.44Å; L369-C372 PolarHBondContact O-N 3.47Å; M370-C372 PolarHBondContact O-N 3.17Å
373V79.8Confident82.1Confident24 Ų2441.8 Ų41.815%0.14524%0.235CC..  trans-89.1135.5-175.4-1640000111.6I267 L294 K298 M370 D371I267-V373 HydrophobicContact CG2-CB 4.2Å; I267-V373 HydrophobicContact CG2-CG1 4.22Å; I267-V373 HydrophobicContact CG2-CG2 4.12Å; L294-V373 HydrophobicContact CD2-CB 4.32Å; L294-V373 HydrophobicContact CD2-CG1 3.7Å; K298-V373 PolarHBondContact NZ-O 2.86Å; M370-V373 PolarHBondContact O-N 3.15Å; M370-V373 VanDerWaalsContact O-N 3.15Å; D371-V373 VanDerWaalsContact C-N 3.3Å; D371-V373 PolarHBondContact O-N 2.97Å
374S79Confident82.4Confident30 Ų3041.9 Ų41.921%0.2124%0.238CC..  trans-90.5125.5169.2-151.20000109.9I267 D376 R377I267-S374 PolarHBondContact O-N 3.12Å; S374-D376 PolarHBondContact OG-O 2.91Å; S374-R377 PolarHBondContact O-NE 3.49Å; S374-R377 PolarHBondContact O-NH2 3.24Å
375A76.6Confident82.5Confident13 Ų1348.6 Ų48.611%0.10727%0.267CS..SBendtrans-89.3-48.1167.900000110.1F291 L294 D295 R377F291-A375 WeakPolarHBondContact CB-O 3.46Å; L294-A375 HydrophobicContact CD2-CB 4.46Å; D295-A375 HydrophobicContact CB-CB 3.72Å; A375-R377 WeakPolarHBondContact O-CG 3.49Å; A375-R377 PolarHBondContact O-N 3.1Å
376D81.1Confident82.9Confident95 Ų9552.4 Ų52.451%0.50828%0.284SS..  trans-60.8124.6165.5164.544.7000110.9R270 S374R270-D376 IonicContact CZ-OD2 2.75Å; R270-D376 VanDerWaalsContact CZ-OD2 3.23Å; R270-D376 VanDerWaalsContact NH1-CG 3.27Å; R270-D376 IonicContact NH1-OD1 3.39Å; R270-D376 PolarHBondContact NH1-OD1 3.09Å; R270-D376 IonicContact NH1-OD2 3.55Å; R270-D376 PolarHBondContact NH1-OD2 3.14Å; R270-D376 PolarHBondContact NH2-O 3.04Å; R270-D376 IonicContact NH2-OD2 3.63Å; R270-D376 PolarHBondContact NH2-OD2 2.89Å; S374-D376 PolarHBondContact OG-O 2.91Å
377R86.4Confident83.2Confident13 Ų1349.7 Ų49.75%0.04927%0.267CS..  trans-149.6-36.8-170.1-70.9180-173.5-135.3-2115.2I266 I267 R270 I271 F291 S374 A375I266-R377 VanDerWaalsContact O-CZ 3.25Å; I266-R377 PolarHBondContact O-NH1 3.07Å; I266-R377 PolarHBondContact O-NH2 3.08Å; I267-R377 PolarHBondContact O-NH2 3.41Å; R270-R377 WeakPolarHBondContact CA-O 3.26Å; R270-R377 WeakPolarHBondContact CD-O 3.41Å; I271-R377 HydrophobicContact CD1-CB 4.19Å; I271-R377 PolarHBondContact N-O 2.9Å; F291-R377 HydrophobicContact CE2-CB 4.5Å; S374-R377 PolarHBondContact O-NE 3.49Å; S374-R377 PolarHBondContact O-NH2 3.24Å; A375-R377 WeakPolarHBondContact O-CG 3.49Å; A375-R377 PolarHBondContact O-N 3.1Å
378F88.8Confident83.3Confident25 Ų2553.6 Ų53.611%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-72.9129.9-178.5-72.2-81000110.5I271 Y273 V284 N288 F291 L404 L457I271-F378 HydrophobicContact CB-CD1 3.96Å; I271-F378 HydrophobicContact CB-CE1 4.16Å; I271-F378 HydrophobicContact CD1-CE1 4.15Å; I271-F378 HydrophobicContact CD1-CE2 4.44Å; I271-F378 HydrophobicContact CD1-CZ 4.1Å; I271-F378 HydrophobicContact CG2-CD1 3.75Å; I271-F378 HydrophobicContact CG2-CE1 3.65Å; I271-F378 CarbonylContact O-C 3.41Å; I271-F378 VanDerWaalsContact O-CA 3.31Å; I271-F378 WeakPolarHBondContact O-CA 3.3Å; Y273-F378 HydrophobicContact CD1-CB 4.31Å; Y273-F378 HydrophobicContact CD1-CD1 4.35Å; Y273-F378 HydrophobicContact CE1-CB 4.14Å; V284-F378 HydrophobicContact CG1-CB 3.84Å; V284-F378 HydrophobicContact CG1-CD1 3.91Å; V284-F378 HydrophobicContact CG1-CD2 4.02Å; V284-F378 HydrophobicContact CG1-CE1 4.45Å; V284-F378 HydrophobicContact CG1-CG 3.67Å; V284-F378 HydrophobicContact CG2-CD1 4.27Å; V284-F378 HydrophobicContact CG2-CE1 4.47Å; N288-F378 HydrophobicContact CB-CD2 4.31Å; N288-F378 HydrophobicContact CB-CE2 4.27Å; F291-F378 HydrophobicContact CD2-CD2 4.44Å; F291-F378 AromaticContact CD2-CE2 3.91Å; F291-F378 HydrophobicContact CD2-CE2 3.91Å; F291-F378 HydrophobicContact CE2-CD2 4.48Å; F291-F378 AromaticContact CE2-CE2 3.76Å; F291-F378 HydrophobicContact CE2-CE2 3.76Å; F291-F378 HydrophobicContact CE2-CZ 4.31Å; F378-L404 HydrophobicContact CE1-CD1 4.07Å; F378-L457 HydrophobicContact CZ-CD1 4.39Å
379E89.7Confident83.5Confident49 Ų4957.2 Ų57.223%0.22930%0.297CS..EExtended strand (participates in β ladder)trans-132.9112.8-177.4-178.9174.8163.700108.2I271 L272 Y273 R390I271-E379 PolarHBondContact O-N 3.19Å; L272-E379 CarbonylContact C-O 3.48Å; L272-E379 VanDerWaalsContact CA-O 3.31Å; L272-E379 WeakPolarHBondContact CA-O 3.26Å; L272-E379 HydrophobicContact CD2-CB 3.93Å; L272-E379 HydrophobicContact CD2-CG 4.04Å; Y273-E379 PolarHBondContact N-O 2.63Å; E379-R390 IonicContact OE1-CZ 2.75Å; E379-R390 IonicContact OE1-NE 3.43Å; E379-R390 PolarHBondContact OE1-NE 3.08Å; E379-R390 IonicContact OE1-NH2 3.61Å; E379-R390 PolarHBondContact OE1-NH2 2.6Å; E379-R390 IonicContact OE2-NH2 3.97Å
380A90.2Very high84Confident49 Ų4958.2 Ų58.241%0.40530%0.297SS..EExtended strand (participates in β ladder)trans-73146.4-177.500000111.4Y273 A276Y273-A380 HydrophobicContact CD1-CB 4.48Å; Y273-A380 HydrophobicContact CE1-CB 3.8Å; Y273-A380 HydrophobicContact CE2-CB 4.08Å; A276-A380 HydrophobicContact CB-CB 4.2Å
381V89.4Confident84.3Confident9 Ų956.8 Ų56.86%0.05529%0.29CS..  trans-139.5140.3176.4-169.20000109.6L272 Y273 T274 E386 L387L272-V381 HydrophobicContact CB-CG2 4.37Å; L272-V381 HydrophobicContact CD2-CG2 4.23Å; Y273-V381 PolarHBondContact O-N 3.47Å; T274-V381 PolarHBondContact OG1-O 3.43Å; V381-E386 HydrophobicContact CG1-CB 3.65Å; V381-E386 HydrophobicContact CG1-CG 3.65Å; V381-L387 HydrophobicContact CB-CB 4.06Å; V381-L387 HydrophobicContact CG1-CB 3.96Å; V381-L387 HydrophobicContact CG2-CB 4.29Å
382E84.7Confident84.6Confident172 Ų17258 Ų5880%0.80429%0.292SS*.SBendtrans-74.3-24.3-174.7-64.4178-165.600113.6
383S84.6Confident84.9Confident50 Ų5061.2 Ų61.235%0.3531%0.306SS..  trans-147.3154.1-173.369.20000114.2E385 E386 L387S383-E385 VanDerWaalsContact C-N 3.32Å; S383-E385 PolarHBondContact O-N 3.29Å; S383-E386 PolarHBondContact O-N 3.09Å; S383-E386 WeakPolarHBondContact OG-CB 3.21Å; S383-E386 PolarHBondContact OG-N 3.46Å; S383-L387 VanDerWaalsContact O-CB 3.24Å; S383-L387 WeakPolarHBondContact O-CB 3.35Å; S383-L387 PolarHBondContact O-N 3.33Å
384V84.6Confident85.1Confident57 Ų5760.6 Ų60.635%0.34530%0.302SS..Hα-helixtrans-62-36.3176.5-176.70000112.3T274 L387 H388T274-V384 HydrophobicContact CG2-CG2 4.07Å; V384-L387 PolarHBondContact O-N 2.93Å; V384-H388 PolarHBondContact O-N 2.92Å
385E84Confident85.3Confident170 Ų17059.5 Ų59.579%0.79429%0.293SS*.Hα-helixtrans-65.8-46.4177.4-66.8-168.1173.200112S383 L387 H388 K389S383-E385 VanDerWaalsContact C-N 3.32Å; S383-E385 PolarHBondContact O-N 3.29Å; E385-L387 VanDerWaalsContact C-N 3.32Å; E385-H388 PolarHBondContact O-N 2.85Å; E385-K389 PolarHBondContact O-N 3.42Å
386E86.5Confident85.1Confident90 Ų9064.5 Ų64.542%0.42132%0.315SS..Hα-helixtrans-66.7-37.1175.7-174.8168.7-136.200111.2V381 S383 H388 K389 R390V381-E386 HydrophobicContact CG1-CB 3.65Å; V381-E386 HydrophobicContact CG1-CG 3.65Å; S383-E386 PolarHBondContact O-N 3.09Å; S383-E386 WeakPolarHBondContact OG-CB 3.21Å; S383-E386 PolarHBondContact OG-N 3.46Å; E386-H388 PolarHBondContact O-N 3.44Å; E386-K389 PolarHBondContact O-N 2.81Å; E386-R390 WeakPolarHBondContact O-CB 3.49Å; E386-R390 PolarHBondContact O-N 2.79Å
387L87Confident84.7Confident1 Ų162.6 Ų62.61%0.00531%0.305CS..Hα-helixtrans-64.6-37.4177.9175.9154.6000111.9L272 T274 V381 S383 V384 E385 A391 A403 W1367L272-L387 HydrophobicContact CB-CD1 4.05Å; L272-L387 HydrophobicContact CB-CG 3.96Å; L272-L387 HydrophobicContact CD1-CG 4.12Å; L272-L387 VanDerWaalsContact CD1-O 3.25Å; L272-L387 WeakPolarHBondContact CD1-O 3.35Å; T274-L387 HydrophobicContact CG2-CD1 3.59Å; V381-L387 HydrophobicContact CB-CB 4.06Å; V381-L387 HydrophobicContact CG1-CB 3.96Å; V381-L387 HydrophobicContact CG2-CB 4.29Å; S383-L387 VanDerWaalsContact O-CB 3.24Å; S383-L387 WeakPolarHBondContact O-CB 3.35Å; S383-L387 PolarHBondContact O-N 3.33Å; V384-L387 PolarHBondContact O-N 2.93Å; E385-L387 VanDerWaalsContact C-N 3.32Å; L387-A391 VanDerWaalsContact O-CB 3.27Å; L387-A391 WeakPolarHBondContact O-CB 2.94Å; L387-A391 PolarHBondContact O-N 2.82Å; L387-A403 HydrophobicContact CD1-CB 4.16Å; L387-A403 HydrophobicContact CD2-CB 3.45Å; L387-A403 VanDerWaalsContact CD2-CB 3.45Å; L387-A403 HydrophobicContact CG-CB 3.94Å; L387-W1367 HydrophobicContact CD2-CH2 3.4Å; L387-W1367 VanDerWaalsContact CD2-CH2 3.4Å; L387-W1367 HydrophobicContact CD2-CZ2 4.44Å; L387-W1367 HydrophobicContact CD2-CZ3 3.87Å
388H83.9Confident84.2Confident94 Ų9464.5 Ų64.544%0.43531%0.313SS..Hα-helixtrans-65.2-50.7170-167.2155.5000111.3V384 E385 E386 R390 A391 Y392 W1367V384-H388 PolarHBondContact O-N 2.92Å; E385-H388 PolarHBondContact O-N 2.85Å; E386-H388 PolarHBondContact O-N 3.44Å; H388-R390 VanDerWaalsContact C-N 3.29Å; H388-R390 PolarHBondContact O-N 2.8Å; H388-A391 WeakPolarHBondContact O-CB 3.46Å; H388-A391 PolarHBondContact O-N 3.07Å; H388-A391 VanDerWaalsContact O-N 3.16Å; H388-Y392 PolarHBondContact O-N 2.87Å; H388-W1367 HydrophobicContact CB-CH2 3.78Å; H388-W1367 HydrophobicContact CB-CZ2 4.47Å; H388-W1367 HydrophobicContact CB-CZ3 4.13Å
389K85.3Confident83.8Confident129 Ų12964.7 Ų64.756%0.56132%0.315SS*.Hα-helixtrans-56.3-44.1178.2178.5-172.1169.2-163.70112E385 E386 Y392 E393E385-K389 PolarHBondContact O-N 3.42Å; E386-K389 PolarHBondContact O-N 2.81Å; K389-Y392 PolarHBondContact O-N 3.18Å; K389-E393 PolarHBondContact O-N 2.68Å
390R88.2Confident83.7Confident72 Ų7262.5 Ų62.527%0.27231%0.305SS..Hα-helixtrans-67.2-39.6178.3-16876.2-172.9105.518.8111.6L272 E379 E386 H388 Y392 E393 L394L272-R390 HydrophobicContact CD1-CB 3.79Å; L272-R390 HydrophobicContact CD1-CG 3.89Å; L272-R390 HydrophobicContact CD2-CG 3.91Å; E379-R390 IonicContact OE1-CZ 2.75Å; E379-R390 IonicContact OE1-NE 3.43Å; E379-R390 PolarHBondContact OE1-NE 3.08Å; E379-R390 IonicContact OE1-NH2 3.61Å; E379-R390 PolarHBondContact OE1-NH2 2.6Å; E379-R390 IonicContact OE2-NH2 3.97Å; E386-R390 WeakPolarHBondContact O-CB 3.49Å; E386-R390 PolarHBondContact O-N 2.79Å; H388-R390 VanDerWaalsContact C-N 3.29Å; H388-R390 PolarHBondContact O-N 2.8Å; R390-Y392 VanDerWaalsContact C-N 3.33Å; R390-Y392 PolarHBondContact O-N 3.46Å; R390-E393 IonicContact CZ-OE2 3.59Å; R390-E393 IonicContact NH1-OE2 3.77Å; R390-E393 PolarHBondContact NH1-OE2 3.27Å; R390-E393 PolarHBondContact O-N 3.17Å; R390-L394 HydrophobicContact CG-CD1 4.22Å; R390-L394 WeakPolarHBondContact O-CB 3.41Å; R390-L394 VanDerWaalsContact O-CG 3.28Å; R390-L394 WeakPolarHBondContact O-CG 3.27Å; R390-L394 PolarHBondContact O-N 2.69Å
391A87.7Confident83.6Confident0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-61.1-41.1172.600000112.1L272 L387 H388 L394 N395 F400 W1367 L1369L272-A391 HydrophobicContact CD1-CB 4.03Å; L387-A391 VanDerWaalsContact O-CB 3.27Å; L387-A391 WeakPolarHBondContact O-CB 2.94Å; L387-A391 PolarHBondContact O-N 2.82Å; H388-A391 WeakPolarHBondContact O-CB 3.46Å; H388-A391 PolarHBondContact O-N 3.07Å; H388-A391 VanDerWaalsContact O-N 3.16Å; A391-L394 PolarHBondContact O-N 3.28Å; A391-N395 WeakPolarHBondContact O-CB 3.36Å; A391-N395 PolarHBondContact O-N 3.37Å; A391-F400 HydrophobicContact CB-CD2 3.68Å; A391-F400 HydrophobicContact CB-CE1 4.4Å; A391-F400 HydrophobicContact CB-CE2 3.37Å; A391-F400 HydrophobicContact CB-CG 4.33Å; A391-F400 HydrophobicContact CB-CZ 3.77Å; A391-W1367 HydrophobicContact CB-CE3 4.13Å; A391-W1367 HydrophobicContact CB-CZ3 3.77Å; A391-L1369 HydrophobicContact CB-CD1 4.16Å
392Y82.1Confident83.7Confident67 Ų6760.2 Ų60.226%0.26329%0.286SS..Hα-helixtrans-64.9-47.2176-177.9-105.4000112.3H388 K389 R390 L394 N395 Q396 L1369 Y1567H388-Y392 PolarHBondContact O-N 2.87Å; K389-Y392 PolarHBondContact O-N 3.18Å; R390-Y392 VanDerWaalsContact C-N 3.33Å; R390-Y392 PolarHBondContact O-N 3.46Å; Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 3.15Å; Y392-N395 PolarHBondContact O-N 2.79Å; Y392-Q396 HydrophobicContact CE1-CG 4.33Å; Y392-Q396 VanDerWaalsContact CZ-NE2 3.29Å; Y392-Q396 PolarHBondContact O-N 2.92Å; Y392-Q396 PolarHBondContact OH-NE2 2.88Å; Y392-Q396 VanDerWaalsContact OH-NE2 3.1Å; Y392-L1369 HydrophobicContact CD2-CD2 4.37Å; Y392-Y1567 HydrophobicContact CE2-CE1 4.31Å; Y392-Y1567 WeakPolarHBondContact OH-CE1 3.24Å
393E83.5Confident84.1Confident77 Ų7752 Ų5236%0.3625%0.247SC..Hα-helixtrans-55.4-43.8172-72.8178.6-176.200112K389 R390 N397K389-E393 PolarHBondContact O-N 2.68Å; R390-E393 IonicContact CZ-OE2 3.59Å; R390-E393 IonicContact NH1-OE2 3.77Å; R390-E393 PolarHBondContact NH1-OE2 3.27Å; R390-E393 PolarHBondContact O-N 3.17Å; E393-N397 PolarHBondContact O-ND2 3.27Å
394L84.5Confident84.5Confident10 Ų1049.7 Ų49.75%0.05223%0.231CC..Hα-helixtrans-69.6-37179.2-73.9167.9000112.1R270 L272 R390 A391 Y392 N397 K398 L399 F400R270-L394 HydrophobicContact CB-CD1 4.02Å; R270-L394 HydrophobicContact CB-CD2 4.46Å; R270-L394 HydrophobicContact CG-CD2 4.31Å; L272-L394 HydrophobicContact CD1-CD1 4.3Å; L272-L394 HydrophobicContact CD2-CD1 3.79Å; L272-L394 HydrophobicContact CG-CD1 4.21Å; R390-L394 HydrophobicContact CG-CD1 4.22Å; R390-L394 WeakPolarHBondContact O-CB 3.41Å; R390-L394 VanDerWaalsContact O-CG 3.28Å; R390-L394 WeakPolarHBondContact O-CG 3.27Å; R390-L394 PolarHBondContact O-N 2.69Å; A391-L394 PolarHBondContact O-N 3.28Å; Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 3.15Å; L394-N397 CarbonylContact O-C 3.53Å; L394-N397 PolarHBondContact O-N 3.18Å; L394-K398 PolarHBondContact O-N 2.87Å; L394-K398 VanDerWaalsContact O-N 3.15Å; L394-L399 HydrophobicContact CD2-CB 4.05Å; L394-L399 PolarHBondContact O-N 2.96Å; L394-F400 HydrophobicContact CB-CB 3.8Å; L394-F400 PolarHBondContact O-N 3.47Å
395N81.9Confident84.8Confident7 Ų747.2 Ų47.24%0.03722%0.216CC..Hα-helixtrans-73.3-33.1179.1-162.333.2000113.1A391 Y392 N397 K398 F400 D421 L1369A391-N395 WeakPolarHBondContact O-CB 3.36Å; A391-N395 PolarHBondContact O-N 3.37Å; Y392-N395 PolarHBondContact O-N 2.79Å; N395-N397 PolarHBondContact O-N 3.25Å; N395-K398 PolarHBondContact ND2-NZ 3.31Å; N395-K398 WeakPolarHBondContact O-CA 3.34Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 WeakPolarHBondContact OD1-CD 3.39Å; N395-K398 WeakPolarHBondContact OD1-CE 3.49Å; N395-K398 PolarHBondContact OD1-NZ 2.76Å; N395-F400 HydrophobicContact CB-CB 3.97Å; N395-D421 PolarHBondContact ND2-OD2 2.89Å; N395-D421 PolarHBondContact OD1-OD2 2.86Å; N395-L1369 HydrophobicContact CB-CB 3.96Å; N395-L1369 HydrophobicContact CB-CD1 4.23Å; N395-L1369 WeakPolarHBondContact ND2-CB 3.26Å; N395-L1369 PolarHBondContact ND2-O 3.42Å
396Q73Confident85Confident119 Ų11939.3 Ų39.356%0.55618%0.179SC*.Hα-helixtrans-56-33.2170-75.1-169.2-8.600112.2Y392Y392-Q396 HydrophobicContact CE1-CG 4.33Å; Y392-Q396 VanDerWaalsContact CZ-NE2 3.29Å; Y392-Q396 PolarHBondContact O-N 2.92Å; Y392-Q396 PolarHBondContact OH-NE2 2.88Å; Y392-Q396 VanDerWaalsContact OH-NE2 3.1Å
397N73.3Confident84.7Confident55 Ų5539.8 Ų39.829%0.29418%0.181SC..THydrogen-bonded Turntrans-89.6-2.7176.3-67-77.7000113.3A221 K264 E393 L394 N395 L399A221-N397 HydrophobicContact CB-CB 4.01Å; A221-N397 WeakPolarHBondContact CB-OD1 3.48Å; K264-N397 PolarHBondContact NZ-O 2.61Å; E393-N397 PolarHBondContact O-ND2 3.27Å; L394-N397 CarbonylContact O-C 3.53Å; L394-N397 PolarHBondContact O-N 3.18Å; N395-N397 PolarHBondContact O-N 3.25Å; N397-L399 VanDerWaalsContact C-N 3.33Å; N397-L399 HydrophobicContact CB-CD1 4.08Å; N397-L399 HydrophobicContact CB-CG 4.19Å; N397-L399 PolarHBondContact O-N 3.24Å
398K75.3Confident84.3Confident52 Ų5242.6 Ų42.623%0.22620%0.196CC..THydrogen-bonded Turntrans48.950.9-167.4-66.9-72.2168.4-169.30112.7K264 L394 N395 D421K264-K398 HydrophobicContact CD-CB 3.96Å; K264-K398 WeakPolarHBondContact CD-O 3.41Å; K264-K398 VanDerWaalsContact CE-O 3.31Å; K264-K398 WeakPolarHBondContact CE-O 3.49Å; K264-K398 WeakPolarHBondContact CG-O 3.38Å; L394-K398 PolarHBondContact O-N 2.87Å; L394-K398 VanDerWaalsContact O-N 3.15Å; N395-K398 PolarHBondContact ND2-NZ 3.31Å; N395-K398 WeakPolarHBondContact O-CA 3.34Å; N395-K398 PolarHBondContact O-N 2.92Å; N395-K398 WeakPolarHBondContact OD1-CD 3.39Å; N395-K398 WeakPolarHBondContact OD1-CE 3.49Å; N395-K398 PolarHBondContact OD1-NZ 2.76Å; K398-D421 IonicContact NZ-OD2 3.59Å; K398-D421 PolarHBondContact NZ-OD2 2.78Å
399L80.7Confident84.1Confident30 Ų3038.2 Ų38.216%0.15718%0.176CC..  trans-123.94174.9-65.8176000112.8Q268 G269 R270 L394 N397Q268-L399 HydrophobicContact CB-CD2 3.96Å; G269-L399 CarbonylContact C-O 3.59Å; G269-L399 VanDerWaalsContact CA-O 3.29Å; G269-L399 WeakPolarHBondContact CA-O 3.39Å; R270-L399 PolarHBondContact N-O 3.47Å; L394-L399 HydrophobicContact CD2-CB 4.05Å; L394-L399 PolarHBondContact O-N 2.96Å; N397-L399 VanDerWaalsContact C-N 3.33Å; N397-L399 HydrophobicContact CB-CD1 4.08Å; N397-L399 HydrophobicContact CB-CG 4.19Å; N397-L399 PolarHBondContact O-N 3.24Å
400F87.4Confident83.5Confident3 Ų333.8 Ų33.81%0.01317%0.167CC..EExtended strand (participates in β ladder)trans-81.1131.9169.3-177.6-116.8000109.5L272 A391 L394 N395 A402 A403 W1367 L1369L272-F400 HydrophobicContact CD1-CE2 4.41Å; A391-F400 HydrophobicContact CB-CD2 3.68Å; A391-F400 HydrophobicContact CB-CE1 4.4Å; A391-F400 HydrophobicContact CB-CE2 3.37Å; A391-F400 HydrophobicContact CB-CG 4.33Å; A391-F400 HydrophobicContact CB-CZ 3.77Å; L394-F400 HydrophobicContact CB-CB 3.8Å; L394-F400 PolarHBondContact O-N 3.47Å; N395-F400 HydrophobicContact CB-CB 3.97Å; F400-A402 VanDerWaalsContact CE2-O 3.25Å; F400-A402 WeakPolarHBondContact CE2-O 3.31Å; F400-A402 VanDerWaalsContact CZ-C 3.46Å; F400-A403 HydrophobicContact CE2-CB 4.07Å; F400-A403 HydrophobicContact CZ-CB 4.16Å; F400-W1367 HydrophobicContact CZ-CE3 4.46Å; F400-L1369 HydrophobicContact CD1-CD1 3.55Å; F400-L1369 HydrophobicContact CE1-CD1 3.48Å; F400-L1369 VanDerWaalsContact CE1-CD1 3.48Å; F400-L1369 HydrophobicContact CG-CD1 4.34Å; F400-L1369 HydrophobicContact CZ-CD1 4.23Å
401L88.2Confident83Confident10 Ų1035.1 Ų35.15%0.05218%0.179CC..EExtended strand (participates in β ladder)trans-109-56.1168.6178.659.4000110.5P265 R270 I271 M420P265-L401 HydrophobicContact CB-CD1 3.99Å; R270-L401 WeakPolarHBondContact O-CB 3.17Å; R270-L401 PolarHBondContact O-N 3.41Å; I271-L401 HydrophobicContact CD1-CD2 4.3Å; I271-L401 HydrophobicContact CG1-CB 4.49Å; I271-L401 HydrophobicContact CG1-CD2 4Å; I271-L401 HydrophobicContact CG1-CG 4.49Å; L401-M420 HydrophobicContact CD1-CE 3.93Å; L401-M420 HydrophobicContact CG-CE 4.47Å; L401-M420 WeakPolarHBondContact O-CE 3.44Å
402A92.2Very high82.7Confident0 Ų040.6 Ų40.60%020%0.202CC..EExtended strand (participates in β ladder)trans-156.9167-176.900000111.6I271 L272 F400 L418 H419 M420 L457I271-A402 WeakPolarHBondContact CA-O 3.36Å; I271-A402 HydrophobicContact CG2-CB 4.5Å; L272-A402 PolarHBondContact N-O 3.13Å; F400-A402 VanDerWaalsContact CE2-O 3.25Å; F400-A402 WeakPolarHBondContact CE2-O 3.31Å; F400-A402 VanDerWaalsContact CZ-C 3.46Å; A402-L418 HydrophobicContact CB-CD1 3.89Å; A402-H419 CarbonylContact C-O 3.55Å; A402-H419 VanDerWaalsContact CA-O 3.25Å; A402-H419 WeakPolarHBondContact CA-O 3.43Å; A402-M420 HydrophobicContact CB-CG 3.68Å; A402-M420 HydrophobicContact CB-SD 4.29Å; A402-L457 HydrophobicContact CB-CD2 3.39Å
403A92.6Very high82.7Confident0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-132.7145161.700000111.1L272 L387 F400 H419 W1367L272-A403 HydrophobicContact CB-CB 3.83Å; L272-A403 CarbonylContact O-C 3.58Å; L272-A403 VanDerWaalsContact O-CA 3.31Å; L272-A403 WeakPolarHBondContact O-CA 3.25Å; L387-A403 HydrophobicContact CD1-CB 4.16Å; L387-A403 HydrophobicContact CD2-CB 3.45Å; L387-A403 VanDerWaalsContact CD2-CB 3.45Å; L387-A403 HydrophobicContact CG-CB 3.94Å; F400-A403 HydrophobicContact CE2-CB 4.07Å; F400-A403 HydrophobicContact CZ-CB 4.16Å; A403-H419 HydrophobicContact CB-CB 4.24Å; A403-H419 PolarHBondContact N-O 3.17Å; A403-H419 PolarHBondContact O-CD2 3.07Å; A403-H419 PolarHBondContact O-N 2.88Å; A403-W1367 HydrophobicContact CB-CZ3 4.48Å
404L92.4Very high82.8Confident1 Ų138.7 Ų38.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-115.6123.3-179.2-67.8165.3000109.8I271 L272 Y273 T274 F378 L406 Y416 R417 L418 V461I271-L404 HydrophobicContact CG2-CD1 3.98Å; I271-L404 HydrophobicContact CG2-CG 4.39Å; L272-L404 PolarHBondContact O-N 3.27Å; Y273-L404 CarbonylContact C-O 3.54Å; Y273-L404 VanDerWaalsContact CA-O 3.28Å; Y273-L404 WeakPolarHBondContact CA-O 3.45Å; T274-L404 PolarHBondContact N-O 3.23Å; F378-L404 HydrophobicContact CE1-CD1 4.07Å; L404-L406 HydrophobicContact CB-CD1 4.45Å; L404-L406 HydrophobicContact CB-CD2 4.32Å; L404-L406 HydrophobicContact CB-CG 4.14Å; L404-Y416 HydrophobicContact CD2-CD2 3.94Å; L404-Y416 HydrophobicContact CD2-CE2 3.88Å; L404-R417 WeakPolarHBondContact CA-O 3.38Å; L404-L418 HydrophobicContact CD2-CB 4.38Å; L404-L418 HydrophobicContact CD2-CD1 3.85Å; L404-V461 HydrophobicContact CD1-CG2 3.8Å; L404-V461 HydrophobicContact CD2-CG2 4.24Å
405N91.7Very high83.1Confident5 Ų538.8 Ų38.83%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-101.6114.7163.2-175.1-21.4000108.7T274 E407 Y416 R417T274-N405 HydrophobicContact CG2-CB 4.06Å; N405-E407 VanDerWaalsContact ND2-CD 3.26Å; N405-E407 PolarHBondContact ND2-OE1 2.8Å; N405-E407 WeakPolarHBondContact OD1-CB 3.43Å; N405-E407 WeakPolarHBondContact OD1-CG 3.42Å; N405-E407 PolarHBondContact OD1-N 3.35Å; N405-E407 VanDerWaalsContact OD1-N 3.1Å; N405-E407 PolarHBondContact OD1-OE1 2.71Å; N405-Y416 CarbonylContact O-C 3.51Å; N405-Y416 VanDerWaalsContact O-CA 3.3Å; N405-Y416 WeakPolarHBondContact O-CA 3.16Å; N405-Y416 VanDerWaalsContact O-CB 3.3Å; N405-Y416 WeakPolarHBondContact O-CB 3.46Å; N405-R417 HydrophobicContact CB-CB 4.18Å; N405-R417 PolarHBondContact N-O 3.12Å; N405-R417 PolarHBondContact O-N 3.34Å
406L88.3Confident83.6Confident4 Ų438.5 Ų38.52%0.02120%0.196CC..  trans-109.317.4-171.1-59.6166.2000112.7Y273 T274 T280 V284 L404 D408 V409 Y416 V461Y273-L406 HydrophobicContact CD2-CD1 4.33Å; T274-L406 PolarHBondContact O-N 3.45Å; T280-L406 HydrophobicContact CG2-CB 3.54Å; T280-L406 HydrophobicContact CG2-CD1 4.07Å; T280-L406 HydrophobicContact CG2-CG 4.46Å; V284-L406 HydrophobicContact CG2-CD1 4.41Å; L404-L406 HydrophobicContact CB-CD1 4.45Å; L404-L406 HydrophobicContact CB-CD2 4.32Å; L404-L406 HydrophobicContact CB-CG 4.14Å; L406-D408 VanDerWaalsContact C-N 3.3Å; L406-D408 PolarHBondContact O-N 2.93Å; L406-V409 HydrophobicContact CB-CG2 3.91Å; L406-V409 HydrophobicContact CD2-CG2 3.93Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 3.11Å; L406-Y416 HydrophobicContact CD2-CD2 4.49Å; L406-Y416 HydrophobicContact CD2-CG 4.18Å; L406-V461 HydrophobicContact CD2-CG1 4.39Å
407E78.6Confident84.5Confident100 Ų10036.6 Ų36.647%0.46718%0.184SC..THydrogen-bonded Turntrans-45.1-46.1-178.8-83.2158.7-152.300114.2N405 R417N405-E407 VanDerWaalsContact ND2-CD 3.26Å; N405-E407 PolarHBondContact ND2-OE1 2.8Å; N405-E407 WeakPolarHBondContact OD1-CB 3.43Å; N405-E407 WeakPolarHBondContact OD1-CG 3.42Å; N405-E407 PolarHBondContact OD1-N 3.35Å; N405-E407 VanDerWaalsContact OD1-N 3.1Å; N405-E407 PolarHBondContact OD1-OE1 2.71Å; E407-R417 IonicContact OE2-NH2 3.92Å
408D79.8Confident85.4Confident59 Ų5934.1 Ų34.132%0.31617%0.17SC..THydrogen-bonded Turntrans-92.87.5-171.8-60.1-46.2000114.7L406 G410 L411 S415L406-D408 VanDerWaalsContact C-N 3.3Å; L406-D408 PolarHBondContact O-N 2.93Å; D408-G410 PolarHBondContact O-N 2.9Å; D408-L411 HydrophobicContact CB-CD1 4.12Å; D408-L411 PolarHBondContact O-N 3.25Å; D408-S415 CarbonylContact C-O 3.52Å; D408-S415 VanDerWaalsContact CB-CB 3.42Å; D408-S415 WeakPolarHBondContact CB-O 3.46Å; D408-S415 PolarHBondContact O-N 3.27Å; D408-S415 PolarHBondContact OD2-OG 3.09Å
409V80.1Confident86.1Confident3 Ų331.8 Ų31.82%0.01816%0.16CC..THydrogen-bonded Turntrans-68.1-20.2-170.7174.40000113.3V283 L406 L411 S415 I465 K469V283-V409 HydrophobicContact CG2-CG1 4.07Å; L406-V409 HydrophobicContact CB-CG2 3.91Å; L406-V409 HydrophobicContact CD2-CG2 3.93Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 3.11Å; V409-L411 VanDerWaalsContact C-N 3.31Å; V409-L411 PolarHBondContact O-N 2.82Å; V409-S415 WeakPolarHBondContact CG2-O 3.35Å; V409-S415 PolarHBondContact N-O 3.4Å; V409-I465 HydrophobicContact CG1-CD1 4.27Å; V409-I465 HydrophobicContact CG1-CG1 4.02Å; V409-I465 HydrophobicContact CG2-CD1 4.32Å; V409-K469 VanDerWaalsContact O-CE 3.3Å; V409-K469 WeakPolarHBondContact O-CE 3.24Å
410G71.8Confident86.5Confident35 Ų3530.3 Ų30.336%0.36115%0.153SC..THydrogen-bonded Turntrans-70.5-21176.900000115.3M279 D408 K469M279-G410 WeakPolarHBondContact SD-CA 3.27Å; D408-G410 PolarHBondContact O-N 2.9Å; G410-K469 PolarHBondContact O-NZ 3.31Å
411L78.8Confident86.2Confident100 Ų10030.3 Ų30.352%0.52415%0.153SC..SBendtrans-71.4160-175.7-56.4178.7000112.5D408 V409 Q413 A414D408-L411 HydrophobicContact CB-CD1 4.12Å; D408-L411 PolarHBondContact O-N 3.25Å; V409-L411 VanDerWaalsContact C-N 3.31Å; V409-L411 PolarHBondContact O-N 2.82Å; L411-Q413 PolarHBondContact O-N 3.03Å; L411-A414 PolarHBondContact O-N 3.46Å
412K80.3Confident85.7Confident115 Ų11530.4 Ų30.450%0.515%0.153SC..SBendtrans-56.6-37.9169.4-79.7-160170.6-149.60112.3D1355 E1357 S1358 S1359K412-D1355 IonicContact NZ-OD1 2.76Å; K412-D1355 IonicContact NZ-OD2 3.3Å; K412-D1355 PolarHBondContact NZ-OD2 3.47Å; K412-E1357 HydrophobicContact CD-CB 4.05Å; K412-E1357 WeakPolarHBondContact CE-OE2 3.23Å; K412-E1357 IonicContact NZ-OE2 3.27Å; K412-E1357 PolarHBondContact NZ-OE2 2.63Å; K412-S1358 WeakPolarHBondContact O-CA 3.49Å; K412-S1359 PolarHBondContact O-N 2.92Å
413Q82.8Confident84.8Confident104 Ų10434 Ų3449%0.48617%0.173SC..EExtended strand (participates in β ladder)trans-95.583.9167.4179.7174.7-7.100107.7L411 S415 S1359L411-Q413 PolarHBondContact O-N 3.03Å; Q413-S415 PolarHBondContact O-N 3.04Å; Q413-S1359 CarbonylContact C-O 3.6Å; Q413-S1359 WeakPolarHBondContact CA-O 3.36Å
414A85.5Confident84.2Confident1 Ų134.7 Ų34.71%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-65.5120.4-177.700000109.9L411 I465 S1359 I1360 L1361L411-A414 PolarHBondContact O-N 3.46Å; A414-I465 HydrophobicContact CB-CG2 3.96Å; A414-S1359 PolarHBondContact N-O 3.24Å; A414-I1360 CarbonylContact O-C 3.5Å; A414-I1360 WeakPolarHBondContact O-CA 3.48Å; A414-L1361 PolarHBondContact O-N 3.2Å
415S89.5Confident83.8Confident11 Ų1134.7 Ų34.78%0.07718%0.176CC..EExtended strand (participates in β ladder)trans-117.1142.8-177.2150.20000110.7D408 V409 Q413 L1361D408-S415 CarbonylContact C-O 3.52Å; D408-S415 VanDerWaalsContact CB-CB 3.42Å; D408-S415 WeakPolarHBondContact CB-O 3.46Å; D408-S415 PolarHBondContact O-N 3.27Å; D408-S415 PolarHBondContact OD2-OG 3.09Å; V409-S415 WeakPolarHBondContact CG2-O 3.35Å; V409-S415 PolarHBondContact N-O 3.4Å; Q413-S415 PolarHBondContact O-N 3.04Å; S415-L1361 WeakPolarHBondContact CA-O 3.46Å
416Y92.5Very high83.5Confident2 Ų235 Ų351%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-151.2151.617072-94.2000112.6L404 N405 L406 L418 K458 V461 D462 I465 I1360 L1361 T1362 L1363L404-Y416 HydrophobicContact CD2-CD2 3.94Å; L404-Y416 HydrophobicContact CD2-CE2 3.88Å; N405-Y416 CarbonylContact O-C 3.51Å; N405-Y416 VanDerWaalsContact O-CA 3.3Å; N405-Y416 WeakPolarHBondContact O-CA 3.16Å; N405-Y416 VanDerWaalsContact O-CB 3.3Å; N405-Y416 WeakPolarHBondContact O-CB 3.46Å; L406-Y416 HydrophobicContact CD2-CD2 4.49Å; L406-Y416 HydrophobicContact CD2-CG 4.18Å; Y416-L418 HydrophobicContact CE2-CB 4.31Å; Y416-K458 PolarHBondContact OH-O 2.82Å; Y416-V461 HydrophobicContact CD1-CG1 4.21Å; Y416-V461 HydrophobicContact CD2-CG1 4.4Å; Y416-V461 HydrophobicContact CE1-CB 4.44Å; Y416-V461 HydrophobicContact CE1-CG1 3.61Å; Y416-V461 HydrophobicContact CE2-CB 4.36Å; Y416-V461 HydrophobicContact CE2-CG1 3.86Å; Y416-V461 VanDerWaalsContact CZ-CG1 3.42Å; Y416-D462 WeakPolarHBondContact CE1-OD1 3.4Å; Y416-D462 PolarHBondContact OH-OD1 2.57Å; Y416-I465 HydrophobicContact CD1-CD1 3.53Å; Y416-I465 HydrophobicContact CE1-CD1 3.53Å; Y416-I1360 HydrophobicContact CE1-CG2 4.48Å; Y416-L1361 PolarHBondContact N-O 2.76Å; Y416-T1362 HydrophobicContact CD1-CG2 3.98Å; Y416-T1362 HydrophobicContact CD2-CG2 4.48Å; Y416-T1362 HydrophobicContact CE1-CG2 3.3Å; Y416-T1362 HydrophobicContact CE2-CG2 3.88Å; Y416-T1362 WeakPolarHBondContact OH-CG2 3.42Å; Y416-L1363 WeakPolarHBondContact O-CB 3.45Å; Y416-L1363 PolarHBondContact O-N 3.13Å
417R91.9Very high83Confident79 Ų7936.4 Ų36.430%0.29819%0.187SC..EExtended strand (participates in β ladder)trans-100.7132174.1-47.1-177.1-159.6167.817.8110L404 N405 E407 L1363 E1365L404-R417 WeakPolarHBondContact CA-O 3.38Å; N405-R417 HydrophobicContact CB-CB 4.18Å; N405-R417 PolarHBondContact N-O 3.12Å; N405-R417 PolarHBondContact O-N 3.34Å; E407-R417 IonicContact OE2-NH2 3.92Å; R417-L1363 WeakPolarHBondContact CA-O 3.44Å; R417-L1363 HydrophobicContact CB-CB 4.39Å; R417-L1363 HydrophobicContact CG-CB 4.02Å; R417-L1363 HydrophobicContact CG-CD1 3.85Å; R417-E1365 IonicContact NH1-OE2 2.75Å
418L92Very high83.1Confident2 Ų231.8 Ų31.81%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-112.1111.9174.6173.451.3000108.9A402 L404 Y416 M420 F454 L457 L1363 E1365A402-L418 HydrophobicContact CB-CD1 3.89Å; L404-L418 HydrophobicContact CD2-CB 4.38Å; L404-L418 HydrophobicContact CD2-CD1 3.85Å; Y416-L418 HydrophobicContact CE2-CB 4.31Å; L418-M420 HydrophobicContact CD1-CG 4.15Å; L418-F454 HydrophobicContact CB-CE2 4.25Å; L418-F454 HydrophobicContact CB-CZ 4.3Å; L418-F454 HydrophobicContact CD2-CD1 4Å; L418-F454 HydrophobicContact CD2-CD2 3.75Å; L418-F454 HydrophobicContact CD2-CE1 3.82Å; L418-F454 HydrophobicContact CD2-CE2 3.55Å; L418-F454 HydrophobicContact CD2-CG 3.97Å; L418-F454 HydrophobicContact CD2-CZ 3.59Å; L418-F454 HydrophobicContact CG-CD2 4.01Å; L418-F454 HydrophobicContact CG-CE2 3.59Å; L418-F454 HydrophobicContact CG-CZ 3.96Å; L418-L457 HydrophobicContact CD1-CD2 3.84Å; L418-L1363 PolarHBondContact N-O 3.5Å; L418-E1365 PolarHBondContact O-N 2.88Å
419H90.7Very high82.8Confident3 Ų334.1 Ų34.11%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-99.6129.9178.5-47.5-87.4000109.9A402 A403 E1365 W1367A402-H419 CarbonylContact C-O 3.55Å; A402-H419 VanDerWaalsContact CA-O 3.25Å; A402-H419 WeakPolarHBondContact CA-O 3.43Å; A403-H419 HydrophobicContact CB-CB 4.24Å; A403-H419 PolarHBondContact N-O 3.17Å; A403-H419 PolarHBondContact O-CD2 3.07Å; A403-H419 PolarHBondContact O-N 2.88Å; H419-E1365 WeakPolarHBondContact CA-O 3.32Å; H419-E1365 IonicContact CE1-OE1 3.94Å; H419-E1365 PolarHBondContact CE1-OE1 3.29Å; H419-E1365 IonicContact CE1-OE2 3.23Å; H419-E1365 PolarHBondContact CE1-OE2 3.41Å; H419-E1365 PolarHBondContact ND1-O 2.95Å; H419-E1365 IonicContact ND1-OE1 3.16Å; H419-E1365 PolarHBondContact ND1-OE1 2.88Å; H419-E1365 IonicContact ND1-OE2 2.78Å; H419-W1367 HydrophobicContact CB-CD2 3.83Å; H419-W1367 HydrophobicContact CB-CE3 4.07Å; H419-W1367 HydrophobicContact CB-CG 4.3Å; H419-W1367 HydrophobicContact CB-CH2 4.49Å; H419-W1367 HydrophobicContact CB-CZ2 4.22Å; H419-W1367 HydrophobicContact CB-CZ3 4.38Å; H419-W1367 AromaticContact CE1-CZ2 3.85Å; H419-W1367 AromaticContact CE1-NE1 3.95Å; H419-W1367 AromaticContact CG-CE2 3.69Å; H419-W1367 AromaticContact CG-CZ2 3.76Å; H419-W1367 AromaticContact CG-NE1 3.94Å; H419-W1367 AromaticContact ND1-CD1 3.99Å; H419-W1367 AromaticContact ND1-CE2 3.32Å; H419-W1367 VanDerWaalsContact ND1-CE2 3.32Å; H419-W1367 AromaticContact ND1-CZ2 3.52Å; H419-W1367 AromaticContact ND1-NE1 3.17Å; H419-W1367 PolarHBondContact ND1-NE1 3.42Å; H419-W1367 VanDerWaalsContact ND1-NE1 3.17Å
420M88.7Confident82.6Confident0 Ų037.7 Ų37.70%019%0.19CC..  trans-143.9156.6173.8-70.3-171.477.200110L401 A402 L418 N424 T425 F454 W1367L401-M420 HydrophobicContact CD1-CE 3.93Å; L401-M420 HydrophobicContact CG-CE 4.47Å; L401-M420 WeakPolarHBondContact O-CE 3.44Å; A402-M420 HydrophobicContact CB-CG 3.68Å; A402-M420 HydrophobicContact CB-SD 4.29Å; L418-M420 HydrophobicContact CD1-CG 4.15Å; M420-N424 HydrophobicContact CE-CB 3.82Å; M420-T425 HydrophobicContact CB-CG2 4.01Å; M420-F454 HydrophobicContact CG-CD2 4.21Å; M420-F454 HydrophobicContact SD-CB 3.63Å; M420-F454 HydrophobicContact SD-CD2 3.53Å; M420-F454 VanDerWaalsContact SD-CD2 3.53Å; M420-F454 HydrophobicContact SD-CG 3.98Å; M420-W1367 PolarHBondContact O-N 3.05Å
421D81.8Confident83Confident3 Ų338.3 Ų38.32%0.01619%0.185CC..BIsolated β-bridgetrans-59.5143.8175.9-148.613.1000110.3N395 K398 D423 N424 W1367 L1369N395-D421 PolarHBondContact ND2-OD2 2.89Å; N395-D421 PolarHBondContact OD1-OD2 2.86Å; K398-D421 IonicContact NZ-OD2 3.59Å; K398-D421 PolarHBondContact NZ-OD2 2.78Å; D421-D423 PolarHBondContact O-N 3.17Å; D421-N424 PolarHBondContact O-N 3.05Å; D421-W1367 CarbonylContact C-O 3.54Å; D421-W1367 VanDerWaalsContact CA-O 3.28Å; D421-W1367 WeakPolarHBondContact CA-O 3.13Å; D421-L1369 WeakPolarHBondContact OD1-CB 3.31Å; D421-L1369 PolarHBondContact OD1-N 2.96Å
422T77.1Confident83.2Confident11 Ų1139.2 Ų39.27%0.06718%0.181CC..THydrogen-bonded Turntrans-62.6-13.9-172.622.40000115.3K449 P1366 W1367 K1368 E1373T422-K449 PolarHBondContact O-NZ 3.36Å; T422-P1366 HydrophobicContact CG2-CB 3.92Å; T422-W1367 PolarHBondContact N-O 3.42Å; T422-W1367 PolarHBondContact OG1-O 2.93Å; T422-K1368 HydrophobicContact CG2-CG 3.74Å; T422-K1368 VanDerWaalsContact OG1-CG 3.3Å; T422-K1368 WeakPolarHBondContact OG1-CG 3.46Å; T422-E1373 WeakPolarHBondContact CB-OE1 3.49Å; T422-E1373 PolarHBondContact OG1-OE1 2.88Å; T422-E1373 PolarHBondContact OG1-OE2 2.74Å
423D73.6Confident82.9Confident77 Ų7737 Ų3741%0.41218%0.175SC..THydrogen-bonded Turntrans-70-26.4167.4-88.9-36.7000113.9D421 R452D421-D423 PolarHBondContact O-N 3.17Å; D423-R452 WeakPolarHBondContact O-CD 3.44Å; D423-R452 PolarHBondContact O-NH1 2.92Å
424N79.5Confident82.2Confident14 Ų1436.9 Ų36.98%0.07517%0.17CC..THydrogen-bonded Turntrans-109.2-5-168-64.5-42.1000114.8M420 D421 K449 R452M420-N424 HydrophobicContact CE-CB 3.82Å; D421-N424 PolarHBondContact O-N 3.05Å; N424-K449 VanDerWaalsContact O-O 3.14Å; N424-R452 HydrophobicContact CB-CB 4.28Å
425T85.3Confident81.3Confident0 Ų039.4 Ų39.40%018%0.181CC..SBendtrans-135.3159.9175.3177.50000109.9M420 K449 Y450 N1364 P1366M420-T425 HydrophobicContact CB-CG2 4.01Å; T425-K449 WeakPolarHBondContact O-CD 3.32Å; T425-Y450 VanDerWaalsContact OG1-CE1 3.27Å; T425-Y450 WeakPolarHBondContact OG1-CE1 3.49Å; T425-N1364 PolarHBondContact OG1-ND2 3.04Å; T425-N1364 PolarHBondContact OG1-OD1 3.33Å; T425-P1366 HydrophobicContact CG2-CB 3.54Å
426Q84.1Confident80.5Confident12 Ų1241.7 Ų41.76%0.05619%0.188CC..  trans-80.6142.9173.7-66.1-65.91200110.9I446 D447 K449 Y450 N1364Q426-I446 PolarHBondContact NE2-O 2.81Å; Q426-D447 PolarHBondContact NE2-O 3.17Å; Q426-K449 HydrophobicContact CG-CB 4.2Å; Q426-Y450 HydrophobicContact CB-CD2 4.34Å; Q426-Y450 HydrophobicContact CB-CE2 3.55Å; Q426-Y450 HydrophobicContact CG-CD2 3.85Å; Q426-Y450 HydrophobicContact CG-CE2 3.54Å; Q426-N1364 PolarHBondContact O-ND2 2.86Å; Q426-N1364 VanDerWaalsContact O-ND2 3.1Å
427P77.7Confident79.9Confident33 Ų3342.5 Ų42.521%0.21419%0.192CC..  trans-65.2155.9175.931.8-36.6000110.7F429 H1335P427-F429 HydrophobicContact CB-CD1 3.87Å; P427-F429 HydrophobicContact CB-CE1 3.72Å; P427-F429 HydrophobicContact CG-CD1 4.4Å; P427-F429 HydrophobicContact CG-CE1 3.84Å; P427-H1335 PolarHBondContact O-CE1 3.4Å
428T82.3Confident79.1Confident3 Ų339.9 Ų39.92%0.01818%0.184CC..SBendtrans-103.5-3.5-16646.20000115.4E430 T1248 L1250 N1364 P1366T428-E430 PolarHBondContact O-N 3.33Å; T428-T1248 WeakPolarHBondContact CB-O 3.44Å; T428-T1248 WeakPolarHBondContact CG2-O 3.43Å; T428-T1248 PolarHBondContact OG1-N 3.44Å; T428-T1248 VanDerWaalsContact OG1-N 3.14Å; T428-T1248 PolarHBondContact OG1-O 2.96Å; T428-L1250 HydrophobicContact CG2-CB 3.52Å; T428-L1250 HydrophobicContact CG2-CD2 4.12Å; T428-L1250 HydrophobicContact CG2-CG 4.44Å; T428-N1364 HydrophobicContact CG2-CB 4.17Å; T428-N1364 WeakPolarHBondContact CG2-ND2 3.33Å; T428-P1366 HydrophobicContact CG2-CG 4.23Å
429F73.4Confident78.7Confident109 Ų10940.2 Ų40.248%0.47819%0.188SC..SBendtrans-75.6-17.9-176.670-93000114.5P427P427-F429 HydrophobicContact CB-CD1 3.87Å; P427-F429 HydrophobicContact CB-CE1 3.72Å; P427-F429 HydrophobicContact CG-CD1 4.4Å; P427-F429 HydrophobicContact CG-CE1 3.84Å
430E74.5Confident78.4Confident77 Ų7740.3 Ų40.336%0.3619%0.189SC..  trans-134.7125.1176.9-90.7-172.2-164.600111.5T428 R432 Y1334 H1335T428-E430 PolarHBondContact O-N 3.33Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.34Å; E430-Y1334 HydrophobicContact CB-CE2 4.46Å; E430-Y1334 VanDerWaalsContact O-CD2 3.31Å; E430-Y1334 WeakPolarHBondContact O-CD2 2.93Å; E430-H1335 PolarHBondContact O-NE2 3.4Å
431N81.8Confident78.2Confident48 Ų4841 Ų4126%0.25720%0.195SC..SBendtrans-74.2-22.3177-68.3-2.7000113.9L1256 Y1257 Y1334N431-L1256 PolarHBondContact ND2-O 3.26Å; N431-L1256 VanDerWaalsContact ND2-O 3.13Å; N431-Y1257 HydrophobicContact CB-CE1 4.1Å; N431-Y1257 WeakPolarHBondContact O-CE1 3.39Å; N431-Y1257 PolarHBondContact O-OH 3.18Å; N431-Y1334 PolarHBondContact O-N 2.8Å; N431-Y1334 VanDerWaalsContact O-N 3.16Å
432R81.6Confident78.3Confident120 Ų12043.5 Ų43.545%0.45321%0.208SC..BIsolated β-bridgetrans-162.9152.5-176.762178.2-173.8174.34.7109.4E430 R434 Y1257 Y1315 K1332E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.34Å; R432-R434 PolarHBondContact O-N 3.44Å; R432-Y1257 HydrophobicContact CB-CE1 4.46Å; R432-Y1315 WeakPolarHBondContact CD-OH 3.45Å; R432-Y1315 PolarHBondContact NH1-OH 2.95Å; R432-K1332 WeakPolarHBondContact CB-O 3.28Å
433N74.4Confident78.3Confident68 Ų6844.3 Ų44.336%0.36421%0.214SC..  trans-48130.1166.8-104.7-61.3000111.2F435 Y1334N433-F435 PolarHBondContact O-N 3.08Å; N433-Y1334 PolarHBondContact ND2-OH 3.33Å
434R67.5Low78.3Confident102 Ų10241.9 Ų41.939%0.38520%0.201SC..SBendtrans-58.7-30.5176.3176.9172.9172.2168.9-4.7113.9R432 L758 M759 D761R432-R434 PolarHBondContact O-N 3.44Å; R434-L758 VanDerWaalsContact CZ-O 3.25Å; R434-L758 PolarHBondContact NH1-O 3.37Å; R434-L758 PolarHBondContact NH2-O 2.91Å; R434-M759 PolarHBondContact NH1-O 2.81Å; R434-M759 PolarHBondContact NH2-O 2.83Å; R434-D761 VanDerWaalsContact NH2-CB 3.3Å
435F67.1Low77.7Confident54 Ų5442.3 Ų42.324%0.23720%0.204CC..SBendtrans-114.1129.1178.1-60.2-74.2000110.5N433 F437 Y628 L629N433-F435 PolarHBondContact O-N 3.08Å; F435-F437 HydrophobicContact CB-CD2 4.47Å; F435-F437 HydrophobicContact CB-CE1 4.25Å; F435-F437 HydrophobicContact CB-CE2 3.79Å; F435-F437 HydrophobicContact CB-CZ 3.65Å; F435-F437 HydrophobicContact CG-CZ 4.36Å; F435-F437 PolarHBondContact O-N 3.31Å; F435-Y628 HydrophobicContact CB-CE1 4.41Å; F435-Y628 AromaticContact CD1-CE1 3.77Å; F435-Y628 HydrophobicContact CD1-CE1 3.77Å; F435-Y628 WeakPolarHBondContact CD1-OH 3.43Å; F435-Y628 HydrophobicContact CD2-CE1 4.48Å; F435-Y628 HydrophobicContact CE1-CE1 4.11Å; F435-Y628 WeakPolarHBondContact CE1-OH 3.3Å; F435-Y628 AromaticContact CG-CE1 3.97Å; F435-Y628 HydrophobicContact CG-CE1 3.97Å; F435-L629 HydrophobicContact CD2-CD2 4.47Å
436W74Confident77Confident58 Ų5846.6 Ų46.622%0.2223%0.226CC..  trans-78.4110174.5-163.4105.5000109.7P438 Y615 W1307 S1311 E1312W436-P438 HydrophobicContact CZ3-CB 4.32Å; W436-Y615 WeakPolarHBondContact CH2-OH 3.28Å; W436-W1307 HydrophobicContact CH2-CZ2 4.13Å; W436-W1307 AromaticContact CH2-NE1 3.7Å; W436-W1307 AromaticContact CZ2-CE2 4Å; W436-W1307 AromaticContact CZ2-CZ2 3.62Å; W436-W1307 HydrophobicContact CZ2-CZ2 3.62Å; W436-W1307 AromaticContact CZ2-NE1 3.86Å; W436-S1311 PolarHBondContact NE1-O 3.47Å; W436-E1312 HydrophobicContact CG-CG 4.29Å
437F77.9Confident76.9Confident20 Ų2047.5 Ų47.59%0.08823%0.231CC..  trans-103.3142.9173.1-63.2-62.2000110.8F435 R625 Y628 L629 L792 K1332F435-F437 HydrophobicContact CB-CD2 4.47Å; F435-F437 HydrophobicContact CB-CE1 4.25Å; F435-F437 HydrophobicContact CB-CE2 3.79Å; F435-F437 HydrophobicContact CB-CZ 3.65Å; F435-F437 HydrophobicContact CG-CZ 4.36Å; F435-F437 PolarHBondContact O-N 3.31Å; F437-R625 HydrophobicContact CD1-CG 3.92Å; F437-R625 HydrophobicContact CE1-CG 4.02Å; F437-R625 HydrophobicContact CG-CG 4.19Å; F437-R625 HydrophobicContact CZ-CG 4.37Å; F437-Y628 AromaticContact CE1-CD1 3.71Å; F437-Y628 HydrophobicContact CE1-CD1 3.71Å; F437-Y628 HydrophobicContact CE1-CE1 4.09Å; F437-Y628 AromaticContact CZ-CD1 3.98Å; F437-Y628 HydrophobicContact CZ-CD1 3.98Å; F437-Y628 HydrophobicContact CZ-CE1 4.24Å; F437-L629 HydrophobicContact CE2-CD1 4.38Å; F437-L629 HydrophobicContact CE2-CD2 4.08Å; F437-L629 HydrophobicContact CE2-CG 4.41Å; F437-L629 HydrophobicContact CZ-CD1 4.19Å; F437-L629 HydrophobicContact CZ-CD2 3.69Å; F437-L629 HydrophobicContact CZ-CG 3.83Å; F437-L792 HydrophobicContact CD1-CD2 3.93Å; F437-L792 HydrophobicContact CE1-CD2 4.43Å; F437-K1332 WeakPolarHBondContact O-CE 3.22Å; F437-K1332 PolarHBondContact O-NZ 2.85Å
438P76.9Confident77.2Confident23 Ų2346 Ų4615%0.14922%0.221CC..SBendtrans-59.6145.5171.827.2-34.5000111.1W436 Y615 F618 L792W436-P438 HydrophobicContact CZ3-CB 4.32Å; P438-Y615 WeakPolarHBondContact CA-OH 3.36Å; P438-F618 HydrophobicContact CB-CD2 4.22Å; P438-L792 HydrophobicContact CG-CG 4.26Å
439G82.6Confident77.4Confident9 Ų947.7 Ų47.79%0.09323%0.228CC..SBendtrans119.3147.1178.500000112.9A441 Y615 F618 K1332G439-A441 PolarHBondContact O-N 3.36Å; G439-Y615 VanDerWaalsContact C-CE2 3.48Å; G439-Y615 VanDerWaalsContact N-CZ 3.27Å; G439-Y615 PolarHBondContact N-OH 2.96Å; G439-F618 VanDerWaalsContact CA-CE2 3.41Å; G439-K1332 WeakPolarHBondContact O-CE 3.42Å; G439-K1332 PolarHBondContact O-NZ 3.13Å
440P83.9Confident78.1Confident5 Ų542.6 Ų42.63%0.03221%0.206CC..  trans-73.5-14.1-168.318.2-24.4000116.9Y59 D442 Q612 Y615Y59-P440 HydrophobicContact CE2-CB 3.9Å; Y59-P440 HydrophobicContact CE2-CG 4.04Å; Y59-P440 WeakPolarHBondContact OH-CG 3.35Å; P440-D442 HydrophobicContact CB-CB 4.41Å; P440-D442 HydrophobicContact CG-CB 4.24Å; P440-Q612 PolarHBondContact O-NE2 2.95Å; P440-Y615 HydrophobicContact CB-CD2 3.64Å; P440-Y615 HydrophobicContact CB-CE2 4.45Å; P440-Y615 HydrophobicContact CB-CG 3.86Å; P440-Y615 HydrophobicContact CG-CD2 4.22Å; P440-Y615 HydrophobicContact CG-CG 4.02Å
441A86Confident78.6Confident15 Ų1539 Ų3912%0.12419%0.19CC..  trans5961-17100000111.4G439 D447 Q612 N1331 K1332G439-A441 PolarHBondContact O-N 3.36Å; A441-D447 VanDerWaalsContact C-OD2 3.24Å; A441-D447 WeakPolarHBondContact CA-OD2 3.48Å; A441-D447 HydrophobicContact CB-CB 4.04Å; A441-D447 WeakPolarHBondContact O-CB 3.27Å; A441-Q612 PolarHBondContact O-NE2 3.26Å; A441-N1331 HydrophobicContact CB-CB 4.37Å; A441-N1331 WeakPolarHBondContact O-CB 3.34Å; A441-N1331 PolarHBondContact O-ND2 3.47Å; A441-K1332 HydrophobicContact CB-CD 4.27Å
442D83.7Confident78.6Confident55 Ų5538 Ų3829%0.29418%0.182SC..  trans-102.44.5-169.353.9-24.7000114.3Y59 N83 P440 M444 D447Y59-D442 HydrophobicContact CD1-CB 4.4Å; Y59-D442 HydrophobicContact CE1-CB 3.51Å; Y59-D442 WeakPolarHBondContact CE1-OD2 3.29Å; Y59-D442 PolarHBondContact OH-OD2 3.23Å; N83-D442 VanDerWaalsContact ND2-CB 3.34Å; N83-D442 WeakPolarHBondContact ND2-CB 3.33Å; N83-D442 PolarHBondContact ND2-O 3.4Å; N83-D442 VanDerWaalsContact ND2-O 3.14Å; P440-D442 HydrophobicContact CB-CB 4.41Å; P440-D442 HydrophobicContact CG-CB 4.24Å; D442-M444 PolarHBondContact O-N 2.84Å; D442-D447 PolarHBondContact N-OD2 2.83Å
443S76Confident78.7Confident28 Ų2832.9 Ų32.920%0.19617%0.166CC..  trans-72.8118.2-178.6179.30000112.7V445 I446 D447 L448S443-V445 PolarHBondContact O-N 2.85Å; S443-V445 VanDerWaalsContact O-N 3.12Å; S443-V445 WeakPolarHBondContact OG-CB 3.23Å; S443-V445 PolarHBondContact OG-N 2.83Å; S443-V445 VanDerWaalsContact OG-N 3.12Å; S443-I446 PolarHBondContact O-N 2.95Å; S443-I446 PolarHBondContact OG-N 2.82Å; S443-D447 VanDerWaalsContact CB-OD2 3.31Å; S443-D447 WeakPolarHBondContact CB-OD2 3.42Å; S443-D447 PolarHBondContact N-OD2 2.83Å; S443-D447 PolarHBondContact O-N 2.94Å; S443-L448 PolarHBondContact O-N 2.91Å
444M75.2Confident79.5Confident27 Ų2729.7 Ų29.713%0.13315%0.149CC..THydrogen-bonded Turntrans-62.1-11.8167-159.867.8167.800113.4Y77 I81 D442 L448 H451 R452Y77-M444 HydrophobicContact CE2-CE 3.87Å; I81-M444 WeakPolarHBondContact O-CB 3.07Å; I81-M444 VanDerWaalsContact O-CG 3.28Å; I81-M444 WeakPolarHBondContact O-CG 3.38Å; D442-M444 PolarHBondContact O-N 2.84Å; M444-L448 HydrophobicContact SD-CB 4.15Å; M444-H451 HydrophobicContact CE-CB 3.61Å; M444-H451 HydrophobicContact SD-CB 4.06Å; M444-R452 PolarHBondContact O-NH2 2.96Å
445V65.9Low80.6Confident22 Ų2224.8 Ų24.813%0.13313%0.131CC..THydrogen-bonded Turntrans-87.7-50.1-179.6-162.60000111.2L201 I205 S443 R452L201-V445 HydrophobicContact CB-CG2 3.75Å; L201-V445 HydrophobicContact CD1-CB 4.45Å; L201-V445 HydrophobicContact CD1-CG1 3.93Å; L201-V445 HydrophobicContact CD1-CG2 3.91Å; L201-V445 HydrophobicContact CG-CG2 4.45Å; I205-V445 HydrophobicContact CD1-CG1 4.28Å; S443-V445 PolarHBondContact O-N 2.85Å; S443-V445 VanDerWaalsContact O-N 3.12Å; S443-V445 WeakPolarHBondContact OG-CB 3.23Å; S443-V445 PolarHBondContact OG-N 2.83Å; S443-V445 VanDerWaalsContact OG-N 3.12Å; V445-R452 VanDerWaalsContact CA-NH2 3.33Å; V445-R452 PolarHBondContact O-NH2 3.08Å
446I71.5Confident81.6Confident91 Ų9124 Ų2447%0.46713%0.128SC..THydrogen-bonded Turntrans-109.9-48.9-167-62.5164.1000111.1Q426 S443Q426-I446 PolarHBondContact NE2-O 2.81Å; S443-I446 PolarHBondContact O-N 2.95Å; S443-I446 PolarHBondContact OG-N 2.82Å
447D81.2Confident82.4Confident31 Ų3121.5 Ų21.517%0.16612%0.119CC..THydrogen-bonded Turntrans-93.2-34.7-165.9-53-54.7000113Q426 A441 D442 S443 N1331Q426-D447 PolarHBondContact NE2-O 3.17Å; A441-D447 VanDerWaalsContact C-OD2 3.24Å; A441-D447 WeakPolarHBondContact CA-OD2 3.48Å; A441-D447 HydrophobicContact CB-CB 4.04Å; A441-D447 WeakPolarHBondContact O-CB 3.27Å; D442-D447 PolarHBondContact N-OD2 2.83Å; S443-D447 VanDerWaalsContact CB-OD2 3.31Å; S443-D447 WeakPolarHBondContact CB-OD2 3.42Å; S443-D447 PolarHBondContact N-OD2 2.83Å; S443-D447 PolarHBondContact O-N 2.94Å; D447-N1331 VanDerWaalsContact CB-ND2 3.27Å; D447-N1331 WeakPolarHBondContact CB-ND2 3.29Å; D447-N1331 PolarHBondContact O-ND2 3.35Å
448L84.2Confident83.1Confident1 Ų120.6 Ų20.61%0.00512%0.115CC..  trans-102.426.9-170.5-75.6173.3000114N83 S443 M444 Y450 H451 Y1329 N1331N83-L448 HydrophobicContact CB-CD1 3.96Å; N83-L448 VanDerWaalsContact CG-CD1 3.47Å; N83-L448 VanDerWaalsContact ND2-CD1 3.32Å; N83-L448 WeakPolarHBondContact ND2-CD1 3.38Å; S443-L448 PolarHBondContact O-N 2.91Å; M444-L448 HydrophobicContact SD-CB 4.15Å; L448-Y450 PolarHBondContact O-N 3.28Å; L448-H451 PolarHBondContact O-N 3.05Å; L448-Y1329 HydrophobicContact CD2-CE2 3.98Å; L448-N1331 HydrophobicContact CD2-CB 4.42Å; L448-N1331 VanDerWaalsContact CD2-ND2 3.32Å; L448-N1331 WeakPolarHBondContact CD2-ND2 3.37Å
449K85.8Confident83.8Confident38 Ų3819.5 Ų19.517%0.16511%0.108CC..G310 helixtrans-46.6-38.6-176.9-71.8-168.7177.9-176.20114.4T422 N424 T425 Q426 H451 R452T422-K449 PolarHBondContact O-NZ 3.36Å; N424-K449 VanDerWaalsContact O-O 3.14Å; T425-K449 WeakPolarHBondContact O-CD 3.32Å; Q426-K449 HydrophobicContact CG-CB 4.2Å; K449-H451 PolarHBondContact O-N 2.99Å; K449-R452 WeakPolarHBondContact O-CB 3.5Å; K449-R452 VanDerWaalsContact O-CG 3.25Å; K449-R452 WeakPolarHBondContact O-CG 3.04Å; K449-R452 PolarHBondContact O-N 2.88Å
450Y88.3Confident84.1Confident3 Ų319.7 Ų19.71%0.01211%0.106CC..G310 helixtrans-56.8-19179.8-74.7-61.5000115.4T425 Q426 L448 R452 F454 V455 Y1334 H1335 M1338 N1364T425-Y450 VanDerWaalsContact OG1-CE1 3.27Å; T425-Y450 WeakPolarHBondContact OG1-CE1 3.49Å; Q426-Y450 HydrophobicContact CB-CD2 4.34Å; Q426-Y450 HydrophobicContact CB-CE2 3.55Å; Q426-Y450 HydrophobicContact CG-CD2 3.85Å; Q426-Y450 HydrophobicContact CG-CE2 3.54Å; L448-Y450 PolarHBondContact O-N 3.28Å; Y450-R452 VanDerWaalsContact C-N 3.27Å; Y450-R452 PolarHBondContact O-N 3.21Å; Y450-F454 HydrophobicContact CD1-CB 3.97Å; Y450-F454 AromaticContact CD1-CD1 3.43Å; Y450-F454 HydrophobicContact CD1-CD1 3.43Å; Y450-F454 VanDerWaalsContact CD1-CD1 3.43Å; Y450-F454 HydrophobicContact CD1-CD2 4.07Å; Y450-F454 AromaticContact CD1-CE1 3.84Å; Y450-F454 HydrophobicContact CD1-CE1 3.84Å; Y450-F454 HydrophobicContact CD1-CE2 4.43Å; Y450-F454 AromaticContact CD1-CG 3.56Å; Y450-F454 HydrophobicContact CD1-CG 3.56Å; Y450-F454 HydrophobicContact CD1-CZ 4.33Å; Y450-F454 AromaticContact CE1-CD1 3.84Å; Y450-F454 HydrophobicContact CE1-CD1 3.84Å; Y450-F454 HydrophobicContact CE1-CD2 4.09Å; Y450-F454 AromaticContact CE1-CE1 3.77Å; Y450-F454 HydrophobicContact CE1-CE1 3.77Å; Y450-F454 HydrophobicContact CE1-CE2 4.04Å; Y450-F454 HydrophobicContact CE1-CG 4.01Å; Y450-F454 AromaticContact CE1-CZ 3.88Å; Y450-F454 HydrophobicContact CE1-CZ 3.88Å; Y450-V455 WeakPolarHBondContact O-CG1 3.33Å; Y450-V455 PolarHBondContact O-N 3.39Å; Y450-Y1334 WeakPolarHBondContact CD2-O 3.17Å; Y450-Y1334 VanDerWaalsContact CE2-O 3.24Å; Y450-Y1334 WeakPolarHBondContact CE2-O 3.49Å; Y450-H1335 AromaticContact CE2-ND1 3.89Å; Y450-H1335 AromaticContact CZ-ND1 3.77Å; Y450-H1335 PolarHBondContact OH-CE1 2.83Å; Y450-H1335 PolarHBondContact OH-ND1 3.22Å; Y450-M1338 HydrophobicContact CD1-CG 3.96Å; Y450-M1338 HydrophobicContact CD1-SD 3.99Å; Y450-M1338 HydrophobicContact CD2-CG 4.12Å; Y450-M1338 HydrophobicContact CE1-CG 4.03Å; Y450-M1338 HydrophobicContact CE2-CG 4.21Å; Y450-M1338 HydrophobicContact CG-CG 4.02Å; Y450-M1338 HydrophobicContact CG-SD 4.12Å; Y450-N1364 PolarHBondContact OH-ND2 3.42Å; Y450-N1364 VanDerWaalsContact OH-ND2 3.13Å
451H85.7Confident84.4Confident2 Ų219.5 Ų19.51%0.00911%0.105CC..G310 helixtrans-77.2-7.1173.1-72.3-73.2000113.9Y77 M444 L448 K449 G453 Q456 Y1329 M1337Y77-H451 HydrophobicContact CE2-CB 4.43Å; Y77-H451 WeakPolarHBondContact CE2-O 3.45Å; Y77-H451 PolarHBondContact OH-O 3.43Å; M444-H451 HydrophobicContact CE-CB 3.61Å; M444-H451 HydrophobicContact SD-CB 4.06Å; L448-H451 PolarHBondContact O-N 3.05Å; K449-H451 PolarHBondContact O-N 2.99Å; H451-G453 PolarHBondContact O-N 2.78Å; H451-Q456 PolarHBondContact O-NE2 2.65Å; H451-Q456 PolarHBondContact O-OE1 3.46Å; H451-Y1329 PolarHBondContact NE2-OH 3.29Å; H451-Y1329 VanDerWaalsContact NE2-OH 3.17Å; H451-M1337 PolarHBondContact CE1-SD 2.82Å; H451-M1337 VanDerWaalsContact NE2-CE 3.33Å; H451-M1337 WeakPolarHBondContact NE2-CE 3.43Å; H451-M1337 PolarHBondContact NE2-SD 2.89Å
452R82.1Confident84.7Confident26 Ų2618.8 Ų18.810%0.09810%0.099CC..THydrogen-bonded Turntrans-78.636.3179.3-61174.3176.8-161.6-4.7113.7D423 N424 M444 V445 K449 Y450D423-R452 WeakPolarHBondContact O-CD 3.44Å; D423-R452 PolarHBondContact O-NH1 2.92Å; N424-R452 HydrophobicContact CB-CB 4.28Å; M444-R452 PolarHBondContact O-NH2 2.96Å; V445-R452 VanDerWaalsContact CA-NH2 3.33Å; V445-R452 PolarHBondContact O-NH2 3.08Å; K449-R452 WeakPolarHBondContact O-CB 3.5Å; K449-R452 VanDerWaalsContact O-CG 3.25Å; K449-R452 WeakPolarHBondContact O-CG 3.04Å; K449-R452 PolarHBondContact O-N 2.88Å; Y450-R452 VanDerWaalsContact C-N 3.27Å; Y450-R452 PolarHBondContact O-N 3.21Å
453G83.2Confident85Confident12 Ų1216.8 Ų16.812%0.1249%0.088CC..THydrogen-bonded Turntrans104.7-24-17900000114.6H451 Q456 L457H451-G453 PolarHBondContact O-N 2.78Å; G453-Q456 VanDerWaalsContact N-OE1 3.08Å; G453-Q456 PolarHBondContact O-N 2.98Å; G453-Q456 PolarHBondContact O-OE1 3.38Å; G453-L457 VanDerWaalsContact O-CB 3.27Å; G453-L457 WeakPolarHBondContact O-CB 3.3Å; G453-L457 PolarHBondContact O-N 3.04Å
454F91.1Very high85.6Confident1 Ų115.4 Ų15.40%0.0048%0.079CC..Hα-helixtrans-63.1-51.2-176.9-170.4-73.1000112.2L418 M420 Y450 Q456 L457 K458 L1252 M1338 N1364L418-F454 HydrophobicContact CB-CE2 4.25Å; L418-F454 HydrophobicContact CB-CZ 4.3Å; L418-F454 HydrophobicContact CD2-CD1 4Å; L418-F454 HydrophobicContact CD2-CD2 3.75Å; L418-F454 HydrophobicContact CD2-CE1 3.82Å; L418-F454 HydrophobicContact CD2-CE2 3.55Å; L418-F454 HydrophobicContact CD2-CG 3.97Å; L418-F454 HydrophobicContact CD2-CZ 3.59Å; L418-F454 HydrophobicContact CG-CD2 4.01Å; L418-F454 HydrophobicContact CG-CE2 3.59Å; L418-F454 HydrophobicContact CG-CZ 3.96Å; M420-F454 HydrophobicContact CG-CD2 4.21Å; M420-F454 HydrophobicContact SD-CB 3.63Å; M420-F454 HydrophobicContact SD-CD2 3.53Å; M420-F454 VanDerWaalsContact SD-CD2 3.53Å; M420-F454 HydrophobicContact SD-CG 3.98Å; Y450-F454 HydrophobicContact CD1-CB 3.97Å; Y450-F454 AromaticContact CD1-CD1 3.43Å; Y450-F454 HydrophobicContact CD1-CD1 3.43Å; Y450-F454 VanDerWaalsContact CD1-CD1 3.43Å; Y450-F454 HydrophobicContact CD1-CD2 4.07Å; Y450-F454 AromaticContact CD1-CE1 3.84Å; Y450-F454 HydrophobicContact CD1-CE1 3.84Å; Y450-F454 HydrophobicContact CD1-CE2 4.43Å; Y450-F454 AromaticContact CD1-CG 3.56Å; Y450-F454 HydrophobicContact CD1-CG 3.56Å; Y450-F454 HydrophobicContact CD1-CZ 4.33Å; Y450-F454 AromaticContact CE1-CD1 3.84Å; Y450-F454 HydrophobicContact CE1-CD1 3.84Å; Y450-F454 HydrophobicContact CE1-CD2 4.09Å; Y450-F454 AromaticContact CE1-CE1 3.77Å; Y450-F454 HydrophobicContact CE1-CE1 3.77Å; Y450-F454 HydrophobicContact CE1-CE2 4.04Å; Y450-F454 HydrophobicContact CE1-CG 4.01Å; Y450-F454 AromaticContact CE1-CZ 3.88Å; Y450-F454 HydrophobicContact CE1-CZ 3.88Å; F454-Q456 VanDerWaalsContact C-N 3.32Å; F454-Q456 PolarHBondContact O-N 3.16Å; F454-L457 PolarHBondContact O-N 3.15Å; F454-K458 WeakPolarHBondContact O-CB 3.41Å; F454-K458 PolarHBondContact O-N 2.73Å; F454-L1252 HydrophobicContact CE1-CD1 3.94Å; F454-L1252 HydrophobicContact CZ-CD1 3.92Å; F454-M1338 HydrophobicContact CD1-SD 3.67Å; F454-M1338 HydrophobicContact CE1-CG 4.26Å; F454-M1338 HydrophobicContact CE1-SD 3.73Å; F454-N1364 WeakPolarHBondContact CE2-OD1 3.15Å; F454-N1364 HydrophobicContact CZ-CB 4.21Å
455V90.7Very high86.4Confident0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-66.8-35.1-178.870.20000112.3L64 Y450 Q459 M1337 M1338 L1341L64-V455 HydrophobicContact CD1-CG2 4.46Å; L64-V455 HydrophobicContact CD2-CG1 4.1Å; L64-V455 HydrophobicContact CD2-CG2 3.88Å; Y450-V455 WeakPolarHBondContact O-CG1 3.33Å; Y450-V455 PolarHBondContact O-N 3.39Å; V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.25Å; V455-M1337 HydrophobicContact CB-CE 4.41Å; V455-M1337 HydrophobicContact CG2-CE 4.48Å; V455-M1338 HydrophobicContact CB-CE 3.83Å; V455-M1338 HydrophobicContact CB-SD 4.37Å; V455-M1338 HydrophobicContact CG2-CE 3.52Å; V455-M1338 HydrophobicContact CG2-SD 4.4Å; V455-L1341 HydrophobicContact CG2-CD2 3.6Å
456Q88.4Confident87.5Confident37 Ų3713.3 Ų13.317%0.1737%0.067CC..Hα-helixtrans-65.7-48.7176.2-61.688.7-17.600110.5P65 H451 G453 F454 Q459 M460P65-Q456 HydrophobicContact CG-CB 4Å; P65-Q456 HydrophobicContact CG-CG 4.35Å; H451-Q456 PolarHBondContact O-NE2 2.65Å; H451-Q456 PolarHBondContact O-OE1 3.46Å; G453-Q456 VanDerWaalsContact N-OE1 3.08Å; G453-Q456 PolarHBondContact O-N 2.98Å; G453-Q456 PolarHBondContact O-OE1 3.38Å; F454-Q456 VanDerWaalsContact C-N 3.32Å; F454-Q456 PolarHBondContact O-N 3.16Å; Q456-Q459 PolarHBondContact O-N 3.49Å; Q456-M460 VanDerWaalsContact O-CG 3.26Å; Q456-M460 WeakPolarHBondContact O-CG 3.39Å; Q456-M460 PolarHBondContact O-N 2.62Å
457L89.9Confident88.2Confident6 Ų69.7 Ų9.73%0.0315%0.048CC..Hα-helixtrans-65.3-44.4178.4-177.457.9000111.9I271 F378 A402 L418 G453 F454 Q459 M460 V461I271-L457 HydrophobicContact CD1-CD1 3.89Å; I271-L457 HydrophobicContact CG1-CD2 4.5Å; I271-L457 HydrophobicContact CG2-CD1 4.43Å; I271-L457 HydrophobicContact CG2-CD2 4.22Å; F378-L457 HydrophobicContact CZ-CD1 4.39Å; A402-L457 HydrophobicContact CB-CD2 3.39Å; L418-L457 HydrophobicContact CD1-CD2 3.84Å; G453-L457 VanDerWaalsContact O-CB 3.27Å; G453-L457 WeakPolarHBondContact O-CB 3.3Å; G453-L457 PolarHBondContact O-N 3.04Å; F454-L457 PolarHBondContact O-N 3.15Å; L457-Q459 VanDerWaalsContact C-N 3.35Å; L457-Q459 PolarHBondContact O-N 2.94Å; L457-M460 PolarHBondContact O-N 3.39Å; L457-V461 HydrophobicContact CD1-CG2 4.09Å; L457-V461 HydrophobicContact CG-CG2 4.47Å; L457-V461 WeakPolarHBondContact O-CG2 3.38Å; L457-V461 PolarHBondContact O-N 3.08Å
458K92.3Very high88.5Confident1 Ų18.6 Ų8.60%0.0044%0.043CC..Hα-helixtrans-55.3-48.4173.3171.3170.8169.357.50111.4Y416 F454 M460 V461 D462 M1338 N1342 T1362Y416-K458 PolarHBondContact OH-O 2.82Å; F454-K458 WeakPolarHBondContact O-CB 3.41Å; F454-K458 PolarHBondContact O-N 2.73Å; K458-M460 VanDerWaalsContact C-N 3.31Å; K458-M460 PolarHBondContact O-N 3.3Å; K458-V461 PolarHBondContact O-N 3.3Å; K458-D462 WeakPolarHBondContact CE-OD2 3.35Å; K458-D462 IonicContact NZ-OD1 3.93Å; K458-D462 PolarHBondContact NZ-OD1 2.94Å; K458-D462 IonicContact NZ-OD2 3.15Å; K458-D462 PolarHBondContact NZ-OD2 2.83Å; K458-D462 WeakPolarHBondContact O-CB 3.46Å; K458-D462 PolarHBondContact O-N 3.22Å; K458-M1338 HydrophobicContact CD-SD 4.24Å; K458-N1342 PolarHBondContact NZ-OD1 3.47Å; K458-T1362 HydrophobicContact CD-CG2 4.32Å; K458-T1362 WeakPolarHBondContact CE-OG1 3.48Å; K458-T1362 HydrophobicContact CG-CG2 4.44Å; K458-T1362 PolarHBondContact NZ-OG1 3.08Å
459Q91.5Very high88.6Confident0 Ų09.7 Ų9.70%05%0.048CC..Hα-helixtrans-64.9-37-179.5-165.163.522.600112L64 V455 Q456 L457 L463 N1345L64-Q459 HydrophobicContact CB-CG 4.19Å; L64-Q459 HydrophobicContact CD1-CB 4.17Å; L64-Q459 HydrophobicContact CD1-CG 3.93Å; V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.25Å; Q456-Q459 PolarHBondContact O-N 3.49Å; L457-Q459 VanDerWaalsContact C-N 3.35Å; L457-Q459 PolarHBondContact O-N 2.94Å; Q459-L463 HydrophobicContact CG-CD1 3.94Å; Q459-L463 HydrophobicContact CG-CG 4.42Å; Q459-L463 VanDerWaalsContact O-CB 3.29Å; Q459-L463 WeakPolarHBondContact O-CB 3.27Å; Q459-L463 WeakPolarHBondContact O-CD1 3.41Å; Q459-L463 WeakPolarHBondContact O-CG 3.5Å; Q459-L463 PolarHBondContact O-N 3.49Å; Q459-L463 VanDerWaalsContact O-N 3.08Å; Q459-N1345 PolarHBondContact NE2-OD1 3.44Å; Q459-N1345 VanDerWaalsContact NE2-OD1 3.08Å; Q459-N1345 PolarHBondContact OE1-ND2 3.42Å
460M89.7Confident88.5Confident12 Ų1210.6 Ų10.66%0.0595%0.05CC..Hα-helixtrans-64.8-43.9176-70.516857.600112P65 S287 F291 Q456 L457 K458 G464P65-M460 HydrophobicContact CG-CG 4.08Å; P65-M460 HydrophobicContact CG-SD 4.08Å; S287-M460 WeakPolarHBondContact O-CE 3.33Å; S287-M460 PolarHBondContact OG-O 3.22Å; F291-M460 HydrophobicContact CD1-CE 4.49Å; F291-M460 HydrophobicContact CD2-CE 3.83Å; F291-M460 HydrophobicContact CE1-CE 4.15Å; F291-M460 HydrophobicContact CE2-CE 3.43Å; F291-M460 VanDerWaalsContact CE2-CE 3.43Å; F291-M460 HydrophobicContact CG-CE 4.34Å; F291-M460 HydrophobicContact CZ-CE 3.6Å; F291-M460 HydrophobicContact CZ-SD 4.38Å; Q456-M460 VanDerWaalsContact O-CG 3.26Å; Q456-M460 WeakPolarHBondContact O-CG 3.39Å; Q456-M460 PolarHBondContact O-N 2.62Å; L457-M460 PolarHBondContact O-N 3.39Å; K458-M460 VanDerWaalsContact C-N 3.31Å; K458-M460 PolarHBondContact O-N 3.3Å; M460-G464 PolarHBondContact O-N 2.65Å
461V90.9Very high88.2Confident2 Ų214.4 Ų14.41%0.0127%0.068CC..Hα-helixtrans-71.8-44.5178.9176.80000111.8V283 L404 L406 Y416 L457 K458 L463 G464 I465V283-V461 HydrophobicContact CG1-CG1 4.32Å; L404-V461 HydrophobicContact CD1-CG2 3.8Å; L404-V461 HydrophobicContact CD2-CG2 4.24Å; L406-V461 HydrophobicContact CD2-CG1 4.39Å; Y416-V461 HydrophobicContact CD1-CG1 4.21Å; Y416-V461 HydrophobicContact CD2-CG1 4.4Å; Y416-V461 HydrophobicContact CE1-CB 4.44Å; Y416-V461 HydrophobicContact CE1-CG1 3.61Å; Y416-V461 HydrophobicContact CE2-CB 4.36Å; Y416-V461 HydrophobicContact CE2-CG1 3.86Å; Y416-V461 VanDerWaalsContact CZ-CG1 3.42Å; L457-V461 HydrophobicContact CD1-CG2 4.09Å; L457-V461 HydrophobicContact CG-CG2 4.47Å; L457-V461 WeakPolarHBondContact O-CG2 3.38Å; L457-V461 PolarHBondContact O-N 3.08Å; K458-V461 PolarHBondContact O-N 3.3Å; V461-L463 VanDerWaalsContact C-N 3.32Å; V461-L463 PolarHBondContact O-N 3.11Å; V461-G464 CarbonylContact O-C 3.57Å; V461-G464 WeakPolarHBondContact O-CA 3.45Å; V461-G464 PolarHBondContact O-N 3.45Å; V461-I465 HydrophobicContact CG1-CD1 4.1Å; V461-I465 HydrophobicContact CG1-CG1 4.47Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.27Å
462D91.8Very high87.8Confident0 Ų019.2 Ų19.20%09%0.09CC..Hα-helixtrans-58.7-43.6176.6-70.63.1000111.2Y416 K458 G464 I465 I466 N1345Y416-D462 WeakPolarHBondContact CE1-OD1 3.4Å; Y416-D462 PolarHBondContact OH-OD1 2.57Å; K458-D462 WeakPolarHBondContact CE-OD2 3.35Å; K458-D462 IonicContact NZ-OD1 3.93Å; K458-D462 PolarHBondContact NZ-OD1 2.94Å; K458-D462 IonicContact NZ-OD2 3.15Å; K458-D462 PolarHBondContact NZ-OD2 2.83Å; K458-D462 WeakPolarHBondContact O-CB 3.46Å; K458-D462 PolarHBondContact O-N 3.22Å; D462-G464 VanDerWaalsContact C-N 3.32Å; D462-I465 PolarHBondContact O-N 3.42Å; D462-I466 WeakPolarHBondContact O-CG1 3.32Å; D462-I466 PolarHBondContact O-N 3.16Å; D462-N1345 HydrophobicContact CB-CB 4.21Å; D462-N1345 WeakPolarHBondContact CB-ND2 3.35Å; D462-N1345 PolarHBondContact OD2-ND2 3.39Å
463L90Very high87.4Confident12 Ų1220 Ų206%0.06310%0.102CC..Hα-helixtrans-69.2-29.6174.5-68.2173.5000112.6T66 Q459 V461 I466 K467 V603 F608T66-L463 HydrophobicContact CG2-CD1 3.9Å; Q459-L463 HydrophobicContact CG-CD1 3.94Å; Q459-L463 HydrophobicContact CG-CG 4.42Å; Q459-L463 VanDerWaalsContact O-CB 3.29Å; Q459-L463 WeakPolarHBondContact O-CB 3.27Å; Q459-L463 WeakPolarHBondContact O-CD1 3.41Å; Q459-L463 WeakPolarHBondContact O-CG 3.5Å; Q459-L463 PolarHBondContact O-N 3.49Å; Q459-L463 VanDerWaalsContact O-N 3.08Å; V461-L463 VanDerWaalsContact C-N 3.32Å; V461-L463 PolarHBondContact O-N 3.11Å; L463-I466 HydrophobicContact CD2-CD1 4.34Å; L463-K467 WeakPolarHBondContact O-CB 3.46Å; L463-K467 WeakPolarHBondContact O-CD 3.29Å; L463-K467 VanDerWaalsContact O-CG 3.26Å; L463-K467 WeakPolarHBondContact O-CG 3.02Å; L463-K467 PolarHBondContact O-N 3.15Å; L463-K467 VanDerWaalsContact O-N 3.1Å; L463-V603 HydrophobicContact CD2-CG1 3.56Å; L463-F608 HydrophobicContact CD1-CD2 4.32Å; L463-F608 HydrophobicContact CD1-CE2 4.17Å; L463-F608 HydrophobicContact CD2-CE2 3.87Å; L463-F608 HydrophobicContact CD2-CZ 4.49Å
464G89.2Confident86.3Confident0 Ų022.4 Ų22.40%013%0.127CC..Hα-helixtrans-64.8-43170.500000112.5M460 V461 D462 K467 S468M460-G464 PolarHBondContact O-N 2.65Å; V461-G464 CarbonylContact O-C 3.57Å; V461-G464 WeakPolarHBondContact O-CA 3.45Å; V461-G464 PolarHBondContact O-N 3.45Å; D462-G464 VanDerWaalsContact C-N 3.32Å; G464-K467 PolarHBondContact O-N 2.64Å; G464-S468 WeakPolarHBondContact O-CB 3.47Å; G464-S468 PolarHBondContact O-N 3.31Å
465I90.4Very high84.5Confident0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-64.3-47175-66.9170.1000110.7V283 V409 A414 Y416 V461 D462 K467 S468 K469 I1360V283-I465 HydrophobicContact CG1-CG1 3.75Å; V283-I465 HydrophobicContact CG2-CG1 4.1Å; V409-I465 HydrophobicContact CG1-CD1 4.27Å; V409-I465 HydrophobicContact CG1-CG1 4.02Å; V409-I465 HydrophobicContact CG2-CD1 4.32Å; A414-I465 HydrophobicContact CB-CG2 3.96Å; Y416-I465 HydrophobicContact CD1-CD1 3.53Å; Y416-I465 HydrophobicContact CE1-CD1 3.53Å; V461-I465 HydrophobicContact CG1-CD1 4.1Å; V461-I465 HydrophobicContact CG1-CG1 4.47Å; V461-I465 WeakPolarHBondContact O-CG1 3.34Å; V461-I465 PolarHBondContact O-N 3.27Å; D462-I465 PolarHBondContact O-N 3.42Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 3.32Å; I465-S468 PolarHBondContact O-N 3.33Å; I465-K469 HydrophobicContact CG2-CG 4.31Å; I465-K469 WeakPolarHBondContact O-CB 3.49Å; I465-K469 PolarHBondContact O-N 3.08Å; I465-I1360 HydrophobicContact CG2-CD1 4.2Å; I465-I1360 HydrophobicContact CG2-CG1 4.42Å
466I89Confident82.3Confident4 Ų432.4 Ų32.42%0.02119%0.186CC..Hα-helixtrans-58.9-42177.8-67.5163.3000111.3D462 L463 R470 V603 L1348 L1349 T1352 I1360D462-I466 WeakPolarHBondContact O-CG1 3.32Å; D462-I466 PolarHBondContact O-N 3.16Å; L463-I466 HydrophobicContact CD2-CD1 4.34Å; I466-R470 WeakPolarHBondContact O-CB 3.32Å; I466-R470 PolarHBondContact O-N 2.79Å; I466-R470 VanDerWaalsContact O-N 3.1Å; I466-V603 HydrophobicContact CG2-CG2 4.44Å; I466-L1348 HydrophobicContact CD1-CB 4.15Å; I466-L1349 HydrophobicContact CB-CD1 4.41Å; I466-L1349 HydrophobicContact CG1-CB 4.17Å; I466-L1349 HydrophobicContact CG1-CD1 4.02Å; I466-T1352 HydrophobicContact CG2-CG2 4.27Å; I466-I1360 HydrophobicContact CD1-CD1 4.16Å; I466-I1360 HydrophobicContact CG1-CD1 3.79Å
467K87.8Confident80.1Confident15 Ų1535.1 Ų35.17%0.06521%0.206CC..Hα-helixtrans-67.5-48176.6-73168.2-179.6176.10112.1F286 L463 G464 I465 K469 R470 E471 F601 D604F286-K467 HydrophobicContact CB-CB 4.2Å; F286-K467 HydrophobicContact CB-CD 4.22Å; F286-K467 HydrophobicContact CD1-CB 3.92Å; F286-K467 HydrophobicContact CD1-CD 3.98Å; F286-K467 HydrophobicContact CD2-CB 3.82Å; F286-K467 HydrophobicContact CE1-CB 4.24Å; F286-K467 HydrophobicContact CE2-CB 4.16Å; F286-K467 HydrophobicContact CG-CB 3.71Å; F286-K467 HydrophobicContact CG-CD 4.22Å; F286-K467 HydrophobicContact CZ-CB 4.36Å; L463-K467 WeakPolarHBondContact O-CB 3.46Å; L463-K467 WeakPolarHBondContact O-CD 3.29Å; L463-K467 VanDerWaalsContact O-CG 3.26Å; L463-K467 WeakPolarHBondContact O-CG 3.02Å; L463-K467 PolarHBondContact O-N 3.15Å; L463-K467 VanDerWaalsContact O-N 3.1Å; G464-K467 PolarHBondContact O-N 2.64Å; I465-K467 VanDerWaalsContact C-N 3.3Å; I465-K467 PolarHBondContact O-N 3.32Å; K467-K469 PolarHBondContact O-N 3.29Å; K467-R470 PolarHBondContact O-N 2.74Å; K467-E471 WeakPolarHBondContact O-CB 3.36Å; K467-E471 PolarHBondContact O-N 2.93Å; K467-F601 HydrophobicContact CB-CE1 4.18Å; K467-F601 HydrophobicContact CB-CE2 4.36Å; K467-F601 HydrophobicContact CB-CZ 4.04Å; K467-F601 HydrophobicContact CD-CD2 4.28Å; K467-F601 HydrophobicContact CD-CE2 4.37Å; K467-F601 HydrophobicContact CG-CD1 4.11Å; K467-F601 HydrophobicContact CG-CD2 4.01Å; K467-F601 HydrophobicContact CG-CE1 4.15Å; K467-F601 HydrophobicContact CG-CE2 4.06Å; K467-F601 HydrophobicContact CG-CG 4.04Å; K467-F601 HydrophobicContact CG-CZ 4.12Å; K467-D604 WeakPolarHBondContact CE-OD1 3.34Å; K467-D604 IonicContact NZ-OD1 2.94Å; K467-D604 PolarHBondContact NZ-OD1 2.85Å; K467-D604 IonicContact NZ-OD2 3.62Å
468S87.7Confident77.8Confident8 Ų844.1 Ų44.16%0.05625%0.248CC..Hα-helixtrans-63.2-40.6179.5-1640000112.2S282 G464 I465 E471 E472S282-S468 PolarHBondContact OG-OG 3.11Å; G464-S468 WeakPolarHBondContact O-CB 3.47Å; G464-S468 PolarHBondContact O-N 3.31Å; I465-S468 PolarHBondContact O-N 3.33Å; S468-E471 PolarHBondContact O-N 3.17Å; S468-E472 VanDerWaalsContact O-CB 3.24Å; S468-E472 WeakPolarHBondContact O-CB 3.35Å; S468-E472 PolarHBondContact O-N 3.49Å
469K86.2Confident75.1Confident24 Ų2452.7 Ų52.710%0.10429%0.288CS..Hα-helixtrans-69.4-34.9177.3-77.9-76.3166.1-156.10112.6V409 G410 I465 K467 E472 A473 L1349 M1353V409-K469 VanDerWaalsContact O-CE 3.3Å; V409-K469 WeakPolarHBondContact O-CE 3.24Å; G410-K469 PolarHBondContact O-NZ 3.31Å; I465-K469 HydrophobicContact CG2-CG 4.31Å; I465-K469 WeakPolarHBondContact O-CB 3.49Å; I465-K469 PolarHBondContact O-N 3.08Å; K467-K469 PolarHBondContact O-N 3.29Å; K469-E472 VanDerWaalsContact CD-OE2 3.27Å; K469-E472 WeakPolarHBondContact CD-OE2 3.42Å; K469-E472 VanDerWaalsContact CE-OE2 3.23Å; K469-E472 WeakPolarHBondContact CE-OE2 3Å; K469-E472 IonicContact NZ-OE1 2.69Å; K469-E472 PolarHBondContact NZ-OE1 3.11Å; K469-E472 IonicContact NZ-OE2 2.68Å; K469-E472 PolarHBondContact NZ-OE2 3.16Å; K469-A473 WeakPolarHBondContact O-CB 3.43Å; K469-A473 PolarHBondContact O-N 2.89Å; K469-L1349 HydrophobicContact CB-CD1 4.15Å; K469-M1353 HydrophobicContact CB-CE 4.26Å; K469-M1353 HydrophobicContact CB-SD 4.18Å; K469-M1353 WeakPolarHBondContact O-CE 3.38Å
470R83.7Confident72.4Confident58 Ų5860.9 Ų60.922%0.21933%0.332CS..Hα-helixtrans-72.6-28.5173.8-176.1163.1174.3171.91.3112.9I466 K467 F601 E602 M1353I466-R470 WeakPolarHBondContact O-CB 3.32Å; I466-R470 PolarHBondContact O-N 2.79Å; I466-R470 VanDerWaalsContact O-N 3.1Å; K467-R470 PolarHBondContact O-N 2.74Å; R470-F601 HydrophobicContact CB-CE1 4.36Å; R470-F601 HydrophobicContact CG-CE1 4.42Å; R470-E602 IonicContact CZ-OE2 3.75Å; R470-E602 IonicContact NH1-OE2 3.93Å; R470-E602 PolarHBondContact NH1-OE2 3.22Å; R470-E602 IonicContact NH2-OE2 3.76Å; R470-E602 PolarHBondContact NH2-OE2 2.94Å; R470-M1353 HydrophobicContact CB-SD 4.24Å
471E81Confident69.8Low82 Ų8263.6 Ų63.638%0.38336%0.363SS..Hα-helixtrans-72.8-47.8170.9-171.7162.8-98.700111.3F286 K467 S468 A473 G474 N599F286-E471 WeakPolarHBondContact CE2-OE2 3.28Å; F286-E471 VanDerWaalsContact CZ-OE2 3.25Å; F286-E471 WeakPolarHBondContact CZ-OE2 3.44Å; K467-E471 WeakPolarHBondContact O-CB 3.36Å; K467-E471 PolarHBondContact O-N 2.93Å; S468-E471 PolarHBondContact O-N 3.17Å; E471-A473 VanDerWaalsContact C-N 3.27Å; E471-A473 PolarHBondContact O-N 3.28Å; E471-G474 PolarHBondContact O-N 3.12Å; E471-G474 VanDerWaalsContact O-N 3.11Å; E471-N599 PolarHBondContact OE1-ND2 2.99Å
472E78Confident67Low103 Ų10369.9 Ų69.948%0.48140%0.404SS..Hα-helixtrans-56.9-35.6175.2-175.8-175.8164.800113S468 K469 G474S468-E472 VanDerWaalsContact O-CB 3.24Å; S468-E472 WeakPolarHBondContact O-CB 3.35Å; S468-E472 PolarHBondContact O-N 3.49Å; K469-E472 VanDerWaalsContact CD-OE2 3.27Å; K469-E472 WeakPolarHBondContact CD-OE2 3.42Å; K469-E472 VanDerWaalsContact CE-OE2 3.23Å; K469-E472 WeakPolarHBondContact CE-OE2 3Å; K469-E472 IonicContact NZ-OE1 2.69Å; K469-E472 PolarHBondContact NZ-OE1 3.11Å; K469-E472 IonicContact NZ-OE2 2.68Å; K469-E472 PolarHBondContact NZ-OE2 3.16Å; E472-G474 VanDerWaalsContact C-N 3.28Å; E472-G474 PolarHBondContact O-N 3.37Å
473A72.3Confident64.1Low42 Ų4278.8 Ų78.835%0.34745%0.446SS..THydrogen-bonded Turntrans-78.3-1.5179.300000115.1K469 E471 F475 M1353K469-A473 WeakPolarHBondContact O-CB 3.43Å; K469-A473 PolarHBondContact O-N 2.89Å; E471-A473 VanDerWaalsContact C-N 3.27Å; E471-A473 PolarHBondContact O-N 3.28Å; A473-F475 HydrophobicContact CB-CD2 3.92Å; A473-F475 HydrophobicContact CB-CE2 4.39Å; A473-F475 PolarHBondContact O-N 3.22Å; A473-F475 VanDerWaalsContact O-N 3.1Å; A473-M1353 HydrophobicContact CB-CE 3.69Å; A473-M1353 HydrophobicContact CB-SD 4.41Å
474G61.3Low61.4Low63 Ų6384.2 Ų84.265%0.64948%0.484SS*.THydrogen-bonded Turntrans63.41817100000116.2E471 E472 A476E471-G474 PolarHBondContact O-N 3.12Å; E471-G474 VanDerWaalsContact O-N 3.11Å; E472-G474 VanDerWaalsContact C-N 3.28Å; E472-G474 PolarHBondContact O-N 3.37Å; G474-A476 PolarHBondContact O-N 3.34Å
475F52.1Low58.6Low134 Ų13487 Ų8759%0.58851%0.514SS*.  trans-71.393.9-177.7-91.2-82.8000112.2A473A473-F475 HydrophobicContact CB-CD2 3.92Å; A473-F475 HydrophobicContact CB-CE2 4.39Å; A473-F475 PolarHBondContact O-N 3.22Å; A473-F475 VanDerWaalsContact O-N 3.1Å
476A44.5Very low55.7Low78 Ų7898.4 Ų98.465%0.64556%0.556SS**PPolyproline II helixtrans-57.2147.7163.200000111G474 E478G474-A476 PolarHBondContact O-N 3.34Å; A476-E478 PolarHBondContact O-N 2.96Å
477P43.2Very low52.9Low93 Ų93102.6 Ų102.660%0.60459%0.586SS**PPolyproline II helixtrans-68.4131.3177.928.5-34000111.2
478E41.3Very low50.2Low195 Ų195109.4 Ų109.491%0.91162%0.622SS**PPolyproline II helixtrans-65.7138.2173-64.5-178.2120.300111.1A476A476-E478 PolarHBondContact O-N 2.96Å
479E35.2Very low47.5Very low182 Ų182113.8 Ų113.885%0.8565%0.653SS**PPolyproline II helixtrans-81.4141.9176.3-61-179.6133.300111.6G481E479-G481 PolarHBondContact O-N 3.23Å
480D35.7Very low44.8Very low172 Ų172116 Ų11692%0.9268%0.683SS**PPolyproline II helixtrans-68.7121.5-179.2-80.7-56.7000113.1
481G34.2Very low42.2Very low68 Ų68120 Ų12070%0.70171%0.708SS**PPolyproline II helixtrans-73.1146.4173.400000113.5E479E479-G481 PolarHBondContact O-N 3.23Å
482P33.5Very low39.7Very low134 Ų134124.8 Ų124.887%0.8773%0.728SS**PPolyproline II helixtrans-77.3152-163.429.4-36.8000116.3
483E29.9Very low37.2Very low188 Ų188124.5 Ų124.588%0.87974%0.737SS**PPolyproline II helixtrans-62.4156.2-178.8-55.1-174.1127.400115.6
484S32.3Very low35.1Very low125 Ų125129.8 Ų129.887%0.87476%0.758SS**  trans-140.351.2157.183.60000115.6
485G31.1Very low33.4Very low60 Ų60134.8 Ų134.862%0.61976%0.762SS**  trans61.7128.413600000122.9
486R30.2Very low32Very low238 Ų238134.4 Ų134.490%0.89876%0.762SS**  -176.1104.8115.4-97.4166179171.92.5110.1
487S30.9Very low31.4Very low93 Ų93134.3 Ų134.365%0.6575%0.753SS**  73.6133.281.2770000113.1
488L30.3Very low30.5Very low157 Ų157135.8 Ų135.882%0.82275%0.752SS**  cis-145.2169.713.8-78.198.1000108.4
489S31Very low29.9Very low100 Ų100132.1 Ų132.170%0.69974%0.739SS**  cis-168136.9-13.144.20000105.7
490G29.8Very low29.5Very low71 Ų71126.2 Ų126.273%0.73271%0.713SS**  90.5147.878.100000110.6
491L28.6Very low29.6Very low142 Ų142120.9 Ų120.974%0.74369%0.687SS**  cis-144.4169.60-58.888.7000106.7
492F28Very low29.5Very low182 Ų182121.9 Ų121.980%0.79868%0.681SS**  cis-136.4145.313.2-78.6-99.1000107.6
493S25.1Very low29.4Very low97 Ų97121.7 Ų121.768%0.67867%0.673SS**  cis96.1144.540-171.10000113.3
494I28.9Very low29.1Very low154 Ų154120.9 Ų120.979%0.7967%0.669SS**  trans94101.1-167.5-58.7161.8000110.9
495K25Very low29.1Very low167 Ų167121.3 Ų121.373%0.72666%0.661SS**  73.6139.755.4-68.2-171.6152.9-1320112.7
496Q24.3Very low29Very low126 Ų126124.6 Ų124.659%0.58966%0.664SS**  cis-161.2-169.8-2.1-129.8-178-8300108.9
497V30.8Very low29.2Very low76 Ų76119.9 Ų119.946%0.46166%0.657SS.*  trans71.9102.6171.2-143.90000110.8
498E25.1Very low29.4Very low125 Ų125121.5 Ų121.558%0.58466%0.658SS**  61.3123.165.9-59.2132.4136.300109.5D594E498-D594 VanDerWaalsContact O-OD1 3.08Å
499N28.8Very low29.5Very low118 Ų118122.4 Ų122.463%0.63166%0.656SS**  cis845613.8-14647.5000116D594 K597N499-D594 PolarHBondContact N-OD1 3.48Å; N499-K597 WeakPolarHBondContact ND2-CE 3.25Å; N499-K597 WeakPolarHBondContact O-CE 3.23Å; N499-K597 PolarHBondContact O-NZ 3.03Å; N499-K597 WeakPolarHBondContact OD1-CE 3.39Å; N499-K597 WeakPolarHBondContact OD1-CG 3.4Å
500D25.8Very low29.9Very low57 Ų57123.5 Ų123.531%0.30565%0.654SS.*  trans-144.1142.6148.9-102.7-42000112.3D594 A595 N596 K597D500-D594 HydrophobicContact CB-CB 3.75Å; D500-D594 PolarHBondContact N-OD1 3.08Å; D500-D594 CarbonylContact O-C 3.59Å; D500-D594 WeakPolarHBondContact O-CA 3.38Å; D500-A595 PolarHBondContact O-N 2.69Å; D500-N596 PolarHBondContact O-N 3.45Å; D500-K597 VanDerWaalsContact CG-NZ 3.31Å; D500-K597 IonicContact OD1-NZ 2.62Å; D500-K597 PolarHBondContact OD1-NZ 3.37Å; D500-K597 IonicContact OD2-NZ 3.77Å
501T37.6Very low29.9Very low60 Ų60127.4 Ų127.437%0.36866%0.658SS.*  45158.293.870.10000116.3K597T501-K597 HydrophobicContact CG2-CD 4.13Å
502P31.7Very low30.4Very low89 Ų89125 Ų12558%0.57865%0.653SS**  cis-120.5-139.3-12.515.711000110
503D31.8Very low30.7Very low131 Ų131123 Ų12370%0.70165%0.65SS**  trans74.3152.1138.6-60.6-20.2000122.1
504E24.9Very low31.4Very low171 Ų171126.5 Ų126.580%0.79966%0.655SS**  trans66.7136.3164.3-62.9162.3-16000117.5
505D31Very low31.2Very low134 Ų134127.5 Ų127.572%0.71766%0.656SS**  cis-177.7161.8-9.7-101.3-3.6000103.7
506D28.7Very low31.3Very low128 Ų128124.3 Ų124.368%0.68466%0.655SS**  cis-161.3-174.5-12.2-127.1-19.9000105.2
507D34.9Very low32.3Very low140 Ų140121.3 Ų121.375%0.74966%0.658SS**  trans62.1126.9165.3-53.8-24.2000118.4
508D35.4Very low32.7Very low126 Ų126124.8 Ų124.867%0.67467%0.674SS**  cis-167.6146.3-11.5-130.66.4000112.2
509F32.5Very low33.1Very low177 Ų177125.1 Ų125.178%0.77668%0.676SS**  trans69.4163.2144.3-93.2-115.9000126.1
510D38.6Very low33.2Very low123 Ų123126.9 Ų126.966%0.65868%0.678SS**  trans71.299.1161-74.6-18.4000122.5
511L30.7Very low33.7Very low153 Ų153128.5 Ų128.580%0.80170%0.699SS**  61.1123.5128.1-61.5166.5000119
512S39.4Very low33.8Very low92 Ų92129.6 Ų129.664%0.64371%0.714SS**  cis-170.6158.2-0.952.60000111.7E514S512-E514 PolarHBondContact O-N 3.07Å
513L33Very low33.6Very low140 Ų140130.8 Ų130.873%0.73372%0.722SS**  trans23.798.7139.4-62.8162.8000114.7
514E40.8Very low33.8Very low170 Ų170133 Ų13379%0.79473%0.725SS**  52.589.970.3-51.1178.7119.600112.2S512S512-E514 PolarHBondContact O-N 3.07Å
515E25.4Very low34.3Very low174 Ų174130.7 Ų130.781%0.81372%0.723SS**  -164.3162.4125.7-103.9-169.8-176.800106.4
516S26.8Very low34.1Very low101 Ų101129.7 Ų129.771%0.70673%0.726SS**SBend52.8132.562.5-39.40000112.4
517G44.6Very low34.1Very low63 Ų63128.2 Ų128.265%0.64973%0.732SS**  trans57.4-148.2-159.600000110.2
518D40Very low33.8Very low149 Ų149127.1 Ų127.180%0.79774%0.735SS**  -127.9115.6-51.2-106.2-11000110.2
519E32.5Very low33.3Very low131 Ų131125.2 Ų125.261%0.61274%0.737SS**  trans67.7129.1139-56.2-160.4119.500122.6
520K31.3Very low33Very low156 Ų156122.4 Ų122.468%0.67874%0.739SS**  trans68.3110.2142.2-62156-163.8159.10116.1
521A35.3Very low32.2Very low90 Ų90123.2 Ų123.274%0.74474%0.743SS**  66140.781.900000113.6
522A40.2Very low32.1Very low84 Ų84125 Ų12569%0.69475%0.747SS**  cis-156.9172.731.300000110.4
523P27.4Very low31.3Very low114 Ų114129.3 Ų129.374%0.7476%0.757SS**  cis-116159.36.445-32.7000112.2
524K35.4Very low30.8Very low176 Ų176125.9 Ų125.977%0.76575%0.749SS**  55.3132.557.2-65.9-179.3177177.40110.8
525V36.9Very low30Very low124 Ų124123.1 Ų123.175%0.75274%0.744SS**  cis-138.914325.11750000111.1
526S25.8Very low29.8Very low113 Ų113122.1 Ų122.179%0.7975%0.75SS**  trans67.1155.6159.466.80000119.9
527A29Very low29.5Very low97 Ų97124.1 Ų124.180%0.80275%0.751SS**  cis-167.8114.2-31.700000108.8
528S28.3Very low28.5Very low116 Ų116126 Ų12681%0.81175%0.754SS**  trans-142.461.2172.263.10000111.9S530S528-S530 PolarHBondContact O-N 2.96Å
529A25.6Very low28Very low86 Ų86124 Ų12471%0.71175%0.75SS**  trans28.585.7136.400000117.2D531A529-D531 VanDerWaalsContact C-N 3.26Å
530S25.7Very low27.5Very low119 Ų119122.3 Ų122.383%0.83275%0.752SS**  trans-97.542.3136.2520000110.5S528 H532S528-S530 PolarHBondContact O-N 2.96Å; S530-H532 PolarHBondContact O-N 3.06Å
531D23.1Very low27.2Very low139 Ų139119.8 Ų119.874%0.74375%0.754SS**  trans-73.782.9171.4-76-35.5000109.7A529 E533A529-D531 VanDerWaalsContact C-N 3.26Å; D531-E533 PolarHBondContact O-N 2.77Å
532H26.9Very low26.7Very low191 Ų191122.3 Ų122.388%0.88475%0.754SS**  trans-87.431.5162.3-110.6-36.1000112.1S530S530-H532 PolarHBondContact O-N 3.06Å
533E23.6Very low26.1Very low182 Ų182125.5 Ų125.585%0.8576%0.76SS**  trans-86.5120.2151.3-73.9-150166.300109.2D531D531-E533 PolarHBondContact O-N 2.77Å
534A23.2Very low26Very low68 Ų68123.5 Ų123.556%0.56276%0.76SS**  cis-157.5172.90.400000113.3
535T22.2Very low25.5Very low112 Ų112121.7 Ų121.769%0.68776%0.764SS**  trans58.1125.3151.450.70000119.9I537T535-I537 PolarHBondContact O-N 3.04Å
536T22.4Very low25Very low153 Ų153121.4 Ų121.494%0.93976%0.762SS**SBendtrans-62.573.3146.334.20000112.5
537I21Very low25Very low143 Ų143122.2 Ų122.273%0.73376%0.763SS**  trans-132.7129.6150.2-50.1-178.8000108.6T535T535-I537 PolarHBondContact O-N 3.04Å
538S23Very low24.8Very low102 Ų102126.6 Ų126.671%0.71377%0.767SS**  trans-85.9174.3177.656.20000111.9
539P28.3Very low24.6Very low109 Ų109129.1 Ų129.171%0.70877%0.765SS**  cis-130.7-171.9-13.231.7-10000113.5
540S22.8Very low24.6Very low94 Ų94131.2 Ų131.266%0.65777%0.769SS**  trans61.2116.914460.90000122.7
541S25.2Very low24.5Very low103 Ų103135.1 Ų135.172%0.7277%0.766SS**  81.9154.612873.60000122.6
542L25.8Very low24.6Very low143 Ų143134.2 Ų134.275%0.74977%0.765SS**  trans80.6105.7165.2-92.266.7000120.6
543D26.3Very low24.5Very low151 Ų151131.2 Ų131.281%0.80776%0.76SS**  49.8104.1115-52.50.8000121.4
544G26.3Very low24.5Very low73 Ų73127.8 Ų127.875%0.75375%0.752SS**  109.9139.894.600000122.4
545V25Very low24.4Very low137 Ų137132 Ų13283%0.8376%0.76SS**  trans87.5147.9145-169.40000119.3
546T25.5Very low24.5Very low118 Ų118134 Ų13472%0.72476%0.761SS**  trans70.6133.7-174.965.10000115.9
547T25.3Very low24.6Very low130 Ų130132 Ų13280%0.79875%0.749SS**  cis78.799.31879.20000117.9
548E25.5Very low24.7Very low190 Ų190131.2 Ų131.289%0.88875%0.751SS**  trans-141.3150152.6-74.9-155.5133.800111.4
549E23.4Very low24.8Very low168 Ų168132 Ų13279%0.78575%0.751SS**  trans-113.2130.3173-57.9177.6126.100109.9
550V27.3Very low24.7Very low131 Ų131132.2 Ų132.279%0.79476%0.755SS**  trans-146.1116170.5-174.40000107.1
551R23Very low25Very low201 Ų201131.2 Ų131.276%0.75876%0.76SS**  cis76.9107.412-99.9-165.3173.31672.5118.3
552V24.5Very low25.1Very low119 Ų119134 Ų13472%0.72177%0.767SS**  trans72.7105.1144.5-174.60000119.3
553T24.5Very low25.4Very low128 Ų128132 Ų13279%0.78576%0.762SS**  167.2130.9124.638.50000106.7
554T23.9Very low25.3Very low111 Ų111131 Ų13168%0.68176%0.757SS**  cis73119.140.6-34.10000114.6
555E22.5Very low25.3Very low155 Ų155133.9 Ų133.972%0.72475%0.754SS**  trans81.2152.5150-103.7174.9-115.600122.8
556Q23.8Very low25.2Very low154 Ų154133.5 Ų133.572%0.7275%0.747SS**  trans73.6135.8156.6-68.8164.245.200119.3
557T23.4Very low25.1Very low112 Ų112134.4 Ų134.469%0.68775%0.746SS**  cis169.9163.5-33.130.80000107.5
558V23.1Very low25.1Very low126 Ų126134.6 Ų134.676%0.76474%0.742SS**  trans66.4149.8169.9-125.30000113
559V25.7Very low24.9Very low119 Ų119134.1 Ų134.172%0.72174%0.737SS**  cis-144.7148.113.4-157.20000110.7
560S25.5Very low25Very low114 Ų114132 Ų13280%0.79773%0.731SS**  trans42126.6151.159.20000121.4
561G29.9Very low24.9Very low73 Ų73133.2 Ų133.275%0.75373%0.728SS**  cis168.3167.6-4.300000116.5
562D26.7Very low25Very low162 Ų162130.8 Ų130.887%0.86673%0.73SS**  trans-44.3171.6159.7-63.7-57000115.1
563P32.1Very low25.1Very low100 Ų100131.2 Ų131.265%0.64973%0.733SS**  cis-134.5-150.43.226.4-0000112.7
564D25.7Very low25.2Very low131 Ų131130.9 Ų130.970%0.70173%0.726SS**  trans84.6137.8142.6-75.11.7000119.4
565L24.6Very low25.3Very low133 Ų133133.4 Ų133.470%0.69673%0.727SS**  cis-158.9144.6-14-164.763.6000112.5
566L24Very low25.4Very low129 Ų129137 Ų13768%0.67573%0.734SS**  trans11.4124.3153.6-56172000121.5
567L23.7Very low25.5Very low136 Ų136134.2 Ų134.271%0.71273%0.732SS**  77.1138.2117.9-69.1176.6000123
568L24.1Very low25.7Very low135 Ų135138.2 Ų138.271%0.70774%0.74SS**  trans74.4124.3139.3-72.2162.6000120.1
569K22.6Very low25.8Very low179 Ų179143.1 Ų143.178%0.77874%0.744SS**  trans64.1105138.6-71.8-176.7168.5-162.30118.5
570N24.9Very low25.8Very low123 Ų123146.8 Ų146.866%0.65875%0.754SS**  -169132.395.1-99.311.2000109.4
571E24.9Very low26.1Very low158 Ų158144.5 Ų144.574%0.73875%0.748SS**  70.9111.985.8-65.4-177.8155.800114
572D24.7Very low25.9Very low149 Ų149148.6 Ų148.680%0.79775%0.752SS**  trans51.6118.1150.9-59.2-8.1000122.2
573V26.5Very low25.9Very low129 Ų129149.4 Ų149.478%0.78275%0.748SS**  -170.1106126.9142.90000107.1
574L27.2Very low25.9Very low121 Ų121152.3 Ų152.363%0.63476%0.758SS**  68.3126.977.6-69165.3000111.9
575K25.9Very low26.1Very low164 Ų164153.9 Ų153.971%0.71377%0.766SS**  cis-160.6174.811.7-80155.7-168.787.80106.1
576R24.9Very low26.3Very low229 Ų229155.2 Ų155.286%0.86477%0.773SS**  cis-162.5-164.65.9-130.4178.8-178.7171.3-0.2107.2
577S26.3Very low26.5Very low96 Ų96153 Ų15367%0.67178%0.781SS**  cis-143.9152.4-14.2-164.90000110.7
578K27.8Very low26.8Very low197 Ų197149.8 Ų149.886%0.85778%0.78SS**  trans-138136.2169.7-144.9171.2-167.3167.40108.7
579R25.1Very low26.9Very low229 Ų229154 Ų15486%0.86479%0.793SS**  trans92.9155.7174.8-56171.6159.2-179.6-5.4118
580Q25.7Very low27.1Very low196 Ų196149.7 Ų149.792%0.91680%0.8SS**  trans73127.3171.7-62.2171.3-30.200114.8
581G30Very low27.2Very low66 Ų66147.6 Ų147.668%0.6881%0.808SS**  cis116.7122.1-13.500000115.4
582L27.4Very low27.4Very low158 Ų158145.9 Ų145.983%0.82781%0.813SS**  trans66.6136.1-166.2-76.783.2000114.5
583F26.8Very low27.8Very low180 Ų180141 Ų14179%0.78980%0.797SS**  trans61.6111.8-170.1-51.8-90.4000111.3
584D30.6Very low28Very low161 Ų161138.1 Ų138.186%0.86178%0.778SS**  cis-121.690.641.8-73.4-48000115.2L586D584-L586 PolarHBondContact O-N 2.91Å
585L30.4Very low28.4Very low164 Ų164135.6 Ų135.686%0.85978%0.775SS**  trans-84.310.3176.4-162.2119.7000113.2
586L28.3Very low28.9Very low161 Ų161134.3 Ų134.384%0.84378%0.775SS**  trans-145.663.1-162.2-77171.2000113.2D584D584-L586 PolarHBondContact O-N 2.91Å
587G28.1Very low29.5Very low82 Ų82126.4 Ų126.485%0.84575%0.748SS**  trans-173.897.7173.400000112.9
588G29.9Very low30.5Very low68 Ų68130.5 Ų130.570%0.70175%0.753SS**  cis144.161.7-0.900000113
589F27.2Very low31.6Very low223 Ų223125.7 Ų125.798%0.97874%0.737SS**SBendtrans66.299.2177.4-68-95.8000117.3
590G27.1Very low33.1Very low89 Ų89123 Ų12392%0.91873%0.732SS**  trans144.581.2153.900000116.4
591G26.3Very low35.4Very low80 Ų80114.7 Ų114.783%0.82569%0.692SS**  trans173.5127.7170.900000111.6
592S30.1Very low37.5Very low121 Ų121114.2 Ų114.285%0.84667%0.673SS**  trans-166.186178.2177.50000110.5
593G31.5Very low40Very low46 Ų46107 Ų10747%0.47464%0.635SS.*SBendtrans179.9152.9176.900000108.7
594D32.3Very low42.4Very low69 Ų6999.1 Ų99.137%0.36960%0.601SS.*  trans52.988.4153.3-49-42000118.3E498 N499 D500E498-D594 VanDerWaalsContact O-OD1 3.08Å; N499-D594 PolarHBondContact N-OD1 3.48Å; D500-D594 HydrophobicContact CB-CB 3.75Å; D500-D594 PolarHBondContact N-OD1 3.08Å; D500-D594 CarbonylContact O-C 3.59Å; D500-D594 WeakPolarHBondContact O-CA 3.38Å
595A34.1Very low44.8Very low69 Ų6995.9 Ų95.957%0.5758%0.584SS**SBendtrans-167.429.6163.700000112.9D500D500-A595 PolarHBondContact O-N 2.69Å
596N37.7Very low47.3Very low136 Ų13688.4 Ų88.473%0.72754%0.544SS*.  trans-157.424.2-176.5-117.6-88.8000117.6D500 K598D500-N596 PolarHBondContact O-N 3.45Å; N596-K598 PolarHBondContact O-N 3.03Å
597K37Very low50.2Low64 Ų6483 Ų8328%0.27852%0.515SS..  trans-64.779162-80.1-173.9179141.60110.9N499 D500 T501 N599N499-K597 WeakPolarHBondContact ND2-CE 3.25Å; N499-K597 WeakPolarHBondContact O-CE 3.23Å; N499-K597 PolarHBondContact O-NZ 3.03Å; N499-K597 WeakPolarHBondContact OD1-CE 3.39Å; N499-K597 WeakPolarHBondContact OD1-CG 3.4Å; D500-K597 VanDerWaalsContact CG-NZ 3.31Å; D500-K597 IonicContact OD1-NZ 2.62Å; D500-K597 PolarHBondContact OD1-NZ 3.37Å; D500-K597 IonicContact OD2-NZ 3.77Å; T501-K597 HydrophobicContact CG2-CD 4.13Å; K597-N599 PolarHBondContact O-N 3.1Å
598K46.9Very low53.2Low181 Ų18179.1 Ų79.179%0.78748%0.475SS*.  trans-73119.8165.3-72.6-164.5174.1-170.30109.9N596 K600N596-K598 PolarHBondContact O-N 3.03Å; K598-K600 PolarHBondContact O-N 3.08Å
599N51.8Low56.1Low97 Ų9777.2 Ų77.252%0.51945%0.447SS..  trans-21.996-175.3-66.3-10000114.5E471 K597 F601E471-N599 PolarHBondContact OE1-ND2 2.99Å; K597-N599 PolarHBondContact O-N 3.1Å; N599-F601 HydrophobicContact CB-CE2 3.92Å; N599-F601 HydrophobicContact CB-CZ 4.05Å; N599-F601 VanDerWaalsContact O-CD2 3.28Å; N599-F601 WeakPolarHBondContact O-CD2 3.48Å; N599-F601 PolarHBondContact O-N 3.11Å
600K56.9Low59.2Low173 Ų17366.6 Ų66.675%0.75240%0.4SS*.  trans-92.277.9-175.6-166178.3-175.4179.90110.6K598 E602K598-K600 PolarHBondContact O-N 3.08Å; K600-E602 PolarHBondContact O-N 3.33Å
601F73.6Confident62.3Low20 Ų2062.6 Ų62.69%0.08836%0.357CS..  trans-56.6130.2177.8-57.4-84000111.4F286 K467 R470 N599 V603 D604F286-F601 HydrophobicContact CE1-CE2 4.17Å; F286-F601 HydrophobicContact CE1-CZ 4.28Å; F286-F601 HydrophobicContact CZ-CZ 4.34Å; K467-F601 HydrophobicContact CB-CE1 4.18Å; K467-F601 HydrophobicContact CB-CE2 4.36Å; K467-F601 HydrophobicContact CB-CZ 4.04Å; K467-F601 HydrophobicContact CD-CD2 4.28Å; K467-F601 HydrophobicContact CD-CE2 4.37Å; K467-F601 HydrophobicContact CG-CD1 4.11Å; K467-F601 HydrophobicContact CG-CD2 4.01Å; K467-F601 HydrophobicContact CG-CE1 4.15Å; K467-F601 HydrophobicContact CG-CE2 4.06Å; K467-F601 HydrophobicContact CG-CG 4.04Å; K467-F601 HydrophobicContact CG-CZ 4.12Å; R470-F601 HydrophobicContact CB-CE1 4.36Å; R470-F601 HydrophobicContact CG-CE1 4.42Å; N599-F601 HydrophobicContact CB-CE2 3.92Å; N599-F601 HydrophobicContact CB-CZ 4.05Å; N599-F601 VanDerWaalsContact O-CD2 3.28Å; N599-F601 WeakPolarHBondContact O-CD2 3.48Å; N599-F601 PolarHBondContact O-N 3.11Å; F601-V603 PolarHBondContact O-N 2.98Å; F601-V603 VanDerWaalsContact O-N 3.14Å; F601-D604 WeakPolarHBondContact O-CB 3.27Å; F601-D604 PolarHBondContact O-N 2.85Å
602E73.8Confident65.4Low57 Ų5759 Ų5927%0.26632%0.319SS..G310 helixtrans-55.9-33.9178.7-69.8158.2104.900112.3R470 K600 D604 N605 F1272R470-E602 IonicContact CZ-OE2 3.75Å; R470-E602 IonicContact NH1-OE2 3.93Å; R470-E602 PolarHBondContact NH1-OE2 3.22Å; R470-E602 IonicContact NH2-OE2 3.76Å; R470-E602 PolarHBondContact NH2-OE2 2.94Å; K600-E602 PolarHBondContact O-N 3.33Å; E602-D604 VanDerWaalsContact C-N 3.26Å; E602-D604 PolarHBondContact O-N 3.21Å; E602-N605 WeakPolarHBondContact O-CB 3.43Å; E602-N605 PolarHBondContact O-N 3.27Å; E602-N605 VanDerWaalsContact O-N 3.11Å; E602-N605 PolarHBondContact O-ND2 3.23Å; E602-N605 VanDerWaalsContact O-ND2 3.15Å; E602-F1272 HydrophobicContact CB-CD2 4.02Å; E602-F1272 HydrophobicContact CB-CE2 4.44Å; E602-F1272 HydrophobicContact CB-CG 4.43Å
603V79.3Confident68.4Low6 Ų653.5 Ų53.54%0.03628%0.28CS..G310 helixtrans-63.3-25.7178.5-168.30000112.9L463 I466 F601 N605 M606 F608 F1272 T1352L463-V603 HydrophobicContact CD2-CG1 3.56Å; I466-V603 HydrophobicContact CG2-CG2 4.44Å; F601-V603 PolarHBondContact O-N 2.98Å; F601-V603 VanDerWaalsContact O-N 3.14Å; V603-N605 PolarHBondContact O-N 3.43Å; V603-M606 PolarHBondContact O-N 2.95Å; V603-M606 VanDerWaalsContact O-N 3.09Å; V603-F608 HydrophobicContact CG1-CE2 4.13Å; V603-F608 HydrophobicContact CG1-CZ 3.99Å; V603-F1272 HydrophobicContact CG2-CZ 4.25Å; V603-T1352 HydrophobicContact CG2-CG2 3.53Å
604D78Confident71.2Confident14 Ų1451.3 Ų51.38%0.07526%0.258CS..G310 helixtrans-68-11175.2-77.4-22.4000112.9K67 K467 F601 E602K67-D604 HydrophobicContact CD-CB 4.13Å; K67-D604 WeakPolarHBondContact CD-OD1 3.3Å; K67-D604 WeakPolarHBondContact CD-OD2 3.32Å; K67-D604 IonicContact NZ-OD2 2.83Å; K67-D604 PolarHBondContact NZ-OD2 3.42Å; K467-D604 WeakPolarHBondContact CE-OD1 3.34Å; K467-D604 IonicContact NZ-OD1 2.94Å; K467-D604 PolarHBondContact NZ-OD1 2.85Å; K467-D604 IonicContact NZ-OD2 3.62Å; F601-D604 WeakPolarHBondContact O-CB 3.27Å; F601-D604 PolarHBondContact O-N 2.85Å; E602-D604 VanDerWaalsContact C-N 3.26Å; E602-D604 PolarHBondContact O-N 3.21Å
605N79.9Confident74Confident94 Ų9448.5 Ų48.550%0.50324%0.242SC..G310 helixtrans-94.6-6.8173.7-50.2-64.7000113.2E602 V603 S1323E602-N605 WeakPolarHBondContact O-CB 3.43Å; E602-N605 PolarHBondContact O-N 3.27Å; E602-N605 VanDerWaalsContact O-N 3.11Å; E602-N605 PolarHBondContact O-ND2 3.23Å; E602-N605 VanDerWaalsContact O-ND2 3.15Å; V603-N605 PolarHBondContact O-N 3.43Å; N605-S1323 WeakPolarHBondContact O-CB 3.42Å
606M84.7Confident76.6Confident6 Ų646.7 Ų46.73%0.0322%0.224CC..  trans-88.4145.5-178.8-65.7-65.7-67.600111.6V603 F608 F1272 S1323 A1325V603-M606 PolarHBondContact O-N 2.95Å; V603-M606 VanDerWaalsContact O-N 3.09Å; M606-F608 HydrophobicContact CB-CE1 4.14Å; M606-F608 HydrophobicContact CB-CE2 4.2Å; M606-F608 HydrophobicContact CB-CZ 3.71Å; M606-F1272 HydrophobicContact CG-CD1 4.08Å; M606-F1272 HydrophobicContact CG-CE1 4.27Å; M606-F1272 HydrophobicContact SD-CD1 4.01Å; M606-S1323 WeakPolarHBondContact CE-O 3.2Å; M606-A1325 HydrophobicContact CE-CB 4.06Å
607Q87.5Confident78.9Confident47 Ų4743.5 Ų43.522%0.2222%0.217CC..EExtended strand (participates in β ladder)trans-113.8114.4175.7-70173.6-48.300109.3L63 Q69 Y609 S1323 A1325L63-Q607 HydrophobicContact CD1-CB 4.13Å; Q69-Q607 HydrophobicContact CG-CG 4.26Å; Q607-Y609 HydrophobicContact CB-CD2 4.32Å; Q607-Y609 HydrophobicContact CB-CE2 3.53Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.23Å; Q607-S1323 PolarHBondContact N-O 2.89Å; Q607-A1325 PolarHBondContact O-N 3.41Å
608F91.4Very high81.2Confident2 Ų241.9 Ų41.91%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-94.3125.1-179.1-58.9-63.5000111.2L64 T66 L463 V603 M606 A1325 L1344 L1348L64-F608 HydrophobicContact CB-CB 4.29Å; L64-F608 WeakPolarHBondContact CB-O 3.31Å; L64-F608 HydrophobicContact CD1-CB 4.17Å; L64-F608 PolarHBondContact N-O 2.88Å; T66-F608 HydrophobicContact CG2-CD2 3.41Å; T66-F608 VanDerWaalsContact CG2-CD2 3.41Å; T66-F608 HydrophobicContact CG2-CE2 3.88Å; T66-F608 HydrophobicContact CG2-CG 4.5Å; L463-F608 HydrophobicContact CD1-CD2 4.32Å; L463-F608 HydrophobicContact CD1-CE2 4.17Å; L463-F608 HydrophobicContact CD2-CE2 3.87Å; L463-F608 HydrophobicContact CD2-CZ 4.49Å; V603-F608 HydrophobicContact CG1-CE2 4.13Å; V603-F608 HydrophobicContact CG1-CZ 3.99Å; M606-F608 HydrophobicContact CB-CE1 4.14Å; M606-F608 HydrophobicContact CB-CE2 4.2Å; M606-F608 HydrophobicContact CB-CZ 3.71Å; F608-A1325 HydrophobicContact CD1-CB 3.86Å; F608-A1325 HydrophobicContact CE1-CB 4.08Å; F608-L1344 HydrophobicContact CD1-CD2 4.38Å; F608-L1348 HydrophobicContact CD1-CD1 4.49Å; F608-L1348 HydrophobicContact CE1-CD1 3.51Å; F608-L1348 HydrophobicContact CZ-CD1 3.66Å
609Y92Very high82.9Confident28 Ų2834.1 Ų34.111%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-120.1143.9-178.5-65-92.3000110.8R62 L63 Y94 Q607 A1325 T1326 V1327R62-Y609 CarbonylContact O-C 3.56Å; R62-Y609 WeakPolarHBondContact O-CA 3.39Å; L63-Y609 HydrophobicContact CB-CD1 4.04Å; L63-Y609 HydrophobicContact CB-CE1 3.88Å; L63-Y609 HydrophobicContact CD1-CD1 4.23Å; L63-Y609 HydrophobicContact CD1-CE1 3.89Å; L63-Y609 HydrophobicContact CD1-CE2 4.29Å; L63-Y609 HydrophobicContact CG-CE1 4.34Å; Y94-Y609 AromaticContact CD1-CD1 3.78Å; Y94-Y609 HydrophobicContact CD1-CD1 3.78Å; Y94-Y609 HydrophobicContact CD1-CD2 4.05Å; Y94-Y609 AromaticContact CD1-CE1 3.63Å; Y94-Y609 HydrophobicContact CD1-CE1 3.63Å; Y94-Y609 AromaticContact CD1-CE2 3.91Å; Y94-Y609 HydrophobicContact CD1-CE2 3.91Å; Y94-Y609 AromaticContact CD1-CG 3.98Å; Y94-Y609 HydrophobicContact CD1-CG 3.98Å; Y94-Y609 AromaticContact CD1-CZ 3.7Å; Y94-Y609 HydrophobicContact CE1-CD1 4.09Å; Y94-Y609 AromaticContact CE1-CD2 3.5Å; Y94-Y609 HydrophobicContact CE1-CD2 3.5Å; Y94-Y609 HydrophobicContact CE1-CE1 4.09Å; Y94-Y609 AromaticContact CE1-CE2 3.49Å; Y94-Y609 HydrophobicContact CE1-CE2 3.49Å; Y94-Y609 VanDerWaalsContact CE1-CE2 3.49Å; Y94-Y609 AromaticContact CE1-CG 3.8Å; Y94-Y609 HydrophobicContact CE1-CG 3.8Å; Y94-Y609 AromaticContact CE1-CZ 3.79Å; Q607-Y609 HydrophobicContact CB-CD2 4.32Å; Q607-Y609 HydrophobicContact CB-CE2 3.53Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.23Å; Y609-A1325 PolarHBondContact N-O 2.59Å; Y609-T1326 HydrophobicContact CD2-CG2 4.44Å; Y609-T1326 HydrophobicContact CG-CG2 4.45Å; Y609-T1326 WeakPolarHBondContact O-CA 3.34Å; Y609-V1327 PolarHBondContact O-N 3.24Å
610T92.5Very high84.4Confident0 Ų031.4 Ų31.40%016%0.162CC..EExtended strand (participates in β ladder)trans-111.9137.3167.258.60000110.1R62 L64 V1327 M1337R62-T610 PolarHBondContact N-O 3.43Å; R62-T610 PolarHBondContact O-N 2.79Å; L64-T610 HydrophobicContact CD1-CG2 3.96Å; L64-T610 HydrophobicContact CD2-CG2 4.12Å; L64-T610 HydrophobicContact CG-CG2 4.15Å; T610-V1327 WeakPolarHBondContact CA-O 3.47Å; T610-M1337 HydrophobicContact CG2-CG 4.33Å; T610-M1337 HydrophobicContact CG2-SD 4.36Å
611K91.3Very high85.7Confident4 Ų423.3 Ų23.32%0.01713%0.127CC..EExtended strand (participates in β ladder)trans-139.8122.2-176.6-166.4171.1-169.7167.70111.7T61 E92 E93 V1327 W1328 Y1329T61-K611 HydrophobicContact CG2-CB 4.16Å; T61-K611 HydrophobicContact CG2-CD 3.59Å; T61-K611 HydrophobicContact CG2-CG 3.86Å; E92-K611 PolarHBondContact O-NZ 2.85Å; E93-K611 PolarHBondContact O-NZ 3.03Å; K611-V1327 PolarHBondContact N-O 2.69Å; K611-W1328 HydrophobicContact CB-CD2 4.27Å; K611-W1328 HydrophobicContact CB-CE3 4.35Å; K611-W1328 HydrophobicContact CD-CD2 3.98Å; K611-W1328 HydrophobicContact CD-CE3 3.77Å; K611-W1328 HydrophobicContact CD-CH2 3.68Å; K611-W1328 HydrophobicContact CD-CZ2 3.81Å; K611-W1328 HydrophobicContact CD-CZ3 3.62Å; K611-W1328 HydrophobicContact CG-CD2 4.35Å; K611-W1328 HydrophobicContact CG-CE3 4.01Å; K611-W1328 HydrophobicContact CG-CZ3 4.22Å; K611-W1328 CarbonylContact O-C 3.56Å; K611-W1328 VanDerWaalsContact O-CA 3.24Å; K611-W1328 WeakPolarHBondContact O-CA 3.13Å; K611-Y1329 WeakPolarHBondContact O-CD1 3.28Å; K611-Y1329 PolarHBondContact O-N 3.26Å
612Q92Very high86.2Confident5 Ų525.3 Ų25.32%0.02314%0.141CC..EExtended strand (participates in β ladder)trans-71.2139.6171.3-176166.24.500109.2Y59 N83 P440 A441 Y1329Y59-Q612 HydrophobicContact CD2-CB 4.31Å; Y59-Q612 HydrophobicContact CD2-CG 4.05Å; Y59-Q612 HydrophobicContact CG-CB 4.17Å; Y59-Q612 HydrophobicContact CG-CG 4.28Å; N83-Q612 PolarHBondContact ND2-OE1 3.38Å; P440-Q612 PolarHBondContact O-NE2 2.95Å; A441-Q612 PolarHBondContact O-NE2 3.26Å; Q612-Y1329 HydrophobicContact CB-CE1 4.36Å; Q612-Y1329 HydrophobicContact CB-CE2 4.12Å; Q612-Y1329 HydrophobicContact CG-CE2 4.39Å
613F91.6Very high86.8Confident5 Ų523.2 Ų23.22%0.02213%0.131CC..PPolyproline II helixtrans-56.2143.6175-68.7-29.1000111.4F1263 V1303 R1314 W1328 Y1329 N1330F613-F1263 HydrophobicContact CD1-CE1 4.35Å; F613-F1263 AromaticContact CE1-CE1 3.47Å; F613-F1263 HydrophobicContact CE1-CE1 3.47Å; F613-F1263 VanDerWaalsContact CE1-CE1 3.47Å; F613-F1263 AromaticContact CE1-CZ 3.87Å; F613-F1263 HydrophobicContact CE1-CZ 3.87Å; F613-F1263 AromaticContact CZ-CE1 3.98Å; F613-F1263 HydrophobicContact CZ-CE1 3.98Å; F613-V1303 HydrophobicContact CB-CG1 4.11Å; F613-V1303 HydrophobicContact CD1-CG1 4.42Å; F613-V1303 HydrophobicContact CG-CG1 4.21Å; F613-R1314 HydrophobicContact CE2-CB 4.47Å; F613-R1314 HydrophobicContact CE2-CG 3.68Å; F613-R1314 HydrophobicContact CZ-CG 3.86Å; F613-W1328 HydrophobicContact CD1-CB 3.92Å; F613-W1328 HydrophobicContact CD1-CE3 4.15Å; F613-W1328 HydrophobicContact CE1-CB 3.54Å; F613-Y1329 PolarHBondContact N-O 2.95Å; F613-N1330 HydrophobicContact CD2-CB 3.57Å; F613-N1330 HydrophobicContact CE2-CB 3.63Å
614P91.7Very high87.2Confident1 Ų123.4 Ų23.41%0.00613%0.131CC..PPolyproline II helixtrans-63152.116732.8-39.7000110.4C57 Q58 Y1300 V1303 L1304C57-P614 CarbonylContact O-C 3.51Å; C57-P614 VanDerWaalsContact O-CA 3.28Å; C57-P614 WeakPolarHBondContact O-CA 2.99Å; C57-P614 WeakPolarHBondContact O-CB 3.47Å; Q58-P614 HydrophobicContact CB-CB 4.34Å; P614-Y1300 HydrophobicContact CB-CD2 4.18Å; P614-Y1300 HydrophobicContact CB-CE2 3.51Å; P614-Y1300 HydrophobicContact CG-CD2 3.63Å; P614-Y1300 HydrophobicContact CG-CE2 3.5Å; P614-Y1300 VanDerWaalsContact CG-CE2 3.5Å; P614-Y1300 HydrophobicContact CG-CG 4.41Å; P614-V1303 HydrophobicContact CG-CB 4.5Å; P614-V1303 HydrophobicContact CG-CG1 3.9Å; P614-L1304 HydrophobicContact CB-CD1 4.42Å; P614-L1304 HydrophobicContact CB-CD2 3.95Å; P614-L1304 HydrophobicContact CB-CG 4.1Å; P614-L1304 HydrophobicContact CG-CD2 4.19Å; P614-L1304 HydrophobicContact CG-CG 3.92Å
615Y89.8Confident87.4Confident10 Ų1026.9 Ų26.94%0.03914%0.143CC..BIsolated β-bridgetrans-122.7129.5-175.1-158.5-82000110A56 C57 W436 P438 G439 P440 F618 W1307A56-Y615 WeakPolarHBondContact CA-O 3.06Å; C57-Y615 PolarHBondContact N-O 3.39Å; C57-Y615 PolarHBondContact O-N 3.47Å; W436-Y615 WeakPolarHBondContact CH2-OH 3.28Å; P438-Y615 WeakPolarHBondContact CA-OH 3.36Å; G439-Y615 VanDerWaalsContact C-CE2 3.48Å; G439-Y615 VanDerWaalsContact N-CZ 3.27Å; G439-Y615 PolarHBondContact N-OH 2.96Å; P440-Y615 HydrophobicContact CB-CD2 3.64Å; P440-Y615 HydrophobicContact CB-CE2 4.45Å; P440-Y615 HydrophobicContact CB-CG 3.86Å; P440-Y615 HydrophobicContact CG-CD2 4.22Å; P440-Y615 HydrophobicContact CG-CG 4.02Å; Y615-F618 AromaticContact CD1-CD1 3.47Å; Y615-F618 HydrophobicContact CD1-CD1 3.47Å; Y615-F618 VanDerWaalsContact CD1-CD1 3.47Å; Y615-F618 AromaticContact CD1-CE1 3.76Å; Y615-F618 HydrophobicContact CD1-CE1 3.76Å; Y615-F618 HydrophobicContact CD1-CG 4.22Å; Y615-F618 HydrophobicContact CE1-CB 3.98Å; Y615-F618 AromaticContact CE1-CD1 3.42Å; Y615-F618 HydrophobicContact CE1-CD1 3.42Å; Y615-F618 VanDerWaalsContact CE1-CD1 3.42Å; Y615-F618 HydrophobicContact CE1-CD2 4.43Å; Y615-F618 AromaticContact CE1-CE1 3.96Å; Y615-F618 HydrophobicContact CE1-CE1 3.96Å; Y615-F618 AromaticContact CE1-CG 3.69Å; Y615-F618 HydrophobicContact CE1-CG 3.69Å; Y615-W1307 AromaticContact CD2-CH2 3.75Å; Y615-W1307 HydrophobicContact CD2-CH2 3.75Å; Y615-W1307 AromaticContact CD2-CZ2 3.8Å; Y615-W1307 HydrophobicContact CD2-CZ2 3.8Å; Y615-W1307 HydrophobicContact CD2-CZ3 4.38Å; Y615-W1307 AromaticContact CE2-CE2 3.93Å; Y615-W1307 AromaticContact CE2-CH2 3.6Å; Y615-W1307 HydrophobicContact CE2-CH2 3.6Å; Y615-W1307 AromaticContact CE2-CZ2 3.2Å; Y615-W1307 HydrophobicContact CE2-CZ2 3.2Å; Y615-W1307 AromaticContact CZ-CZ2 3.79Å
616P89.1Confident87.6Confident31 Ų3124 Ų2420%0.20114%0.136CC..  trans-71.7161.917931.9-36.9000111.7F618 L1304 W1307P616-F618 PolarHBondContact O-N 3.25Å; P616-L1304 HydrophobicContact CB-CD2 4.44Å; P616-W1307 HydrophobicContact CG-CB 4.02Å; P616-W1307 HydrophobicContact CG-CD2 4.06Å; P616-W1307 HydrophobicContact CG-CG 3.61Å
617A86.6Confident87.6Confident69 Ų6924.3 Ų24.357%0.5714%0.138SC*.  trans-54.3137.7-179.400000112.3L54 A56L54-A617 CarbonylContact O-C 3.53Å; L54-A617 WeakPolarHBondContact O-CA 3.23Å; L54-A617 WeakPolarHBondContact O-CB 3.42Å; A56-A617 HydrophobicContact CB-CB 4.46Å
618F84.7Confident87.5Confident30 Ų3023.1 Ų23.113%0.13213%0.131CC..EExtended strand (participates in β ladder)trans-152.9161.7-174.875.2-76.4000113.6L54 P438 G439 Y615 P616 N620L54-F618 HydrophobicContact CB-CD1 4.14Å; L54-F618 HydrophobicContact CB-CE1 3.86Å; L54-F618 HydrophobicContact CB-CZ 4.31Å; L54-F618 HydrophobicContact CD1-CE1 3.8Å; L54-F618 HydrophobicContact CD1-CE2 4.01Å; L54-F618 HydrophobicContact CD1-CZ 3.4Å; L54-F618 VanDerWaalsContact CD1-CZ 3.4Å; L54-F618 HydrophobicContact CG-CE1 4.49Å; L54-F618 HydrophobicContact CG-CZ 4.47Å; L54-F618 PolarHBondContact N-O 2.87Å; L54-F618 PolarHBondContact O-N 2.81Å; P438-F618 HydrophobicContact CB-CD2 4.22Å; G439-F618 VanDerWaalsContact CA-CE2 3.41Å; Y615-F618 AromaticContact CD1-CD1 3.47Å; Y615-F618 HydrophobicContact CD1-CD1 3.47Å; Y615-F618 VanDerWaalsContact CD1-CD1 3.47Å; Y615-F618 AromaticContact CD1-CE1 3.76Å; Y615-F618 HydrophobicContact CD1-CE1 3.76Å; Y615-F618 HydrophobicContact CD1-CG 4.22Å; Y615-F618 HydrophobicContact CE1-CB 3.98Å; Y615-F618 AromaticContact CE1-CD1 3.42Å; Y615-F618 HydrophobicContact CE1-CD1 3.42Å; Y615-F618 VanDerWaalsContact CE1-CD1 3.42Å; Y615-F618 HydrophobicContact CE1-CD2 4.43Å; Y615-F618 AromaticContact CE1-CE1 3.96Å; Y615-F618 HydrophobicContact CE1-CE1 3.96Å; Y615-F618 AromaticContact CE1-CG 3.69Å; Y615-F618 HydrophobicContact CE1-CG 3.69Å; P616-F618 PolarHBondContact O-N 3.25Å; F618-N620 HydrophobicContact CE2-CB 4.12Å
619L83.3Confident86.8Confident17 Ų1727.6 Ų27.69%0.08916%0.155CC..EExtended strand (participates in β ladder)trans-96.3117.6175.1-174.176.6000110.6E52 E53 D621E52-L619 CarbonylContact O-C 3.56Å; E52-L619 WeakPolarHBondContact O-CA 3.49Å; E53-L619 HydrophobicContact CG-CD1 3.48Å; E53-L619 VanDerWaalsContact CG-CD1 3.48Å; L619-D621 HydrophobicContact CD2-CB 4.27Å; L619-D621 HydrophobicContact CG-CB 4.39Å; L619-D621 PolarHBondContact O-N 3.44Å
620N82.7Confident86.2Confident41 Ų4129.8 Ų29.822%0.21918%0.178CC..EExtended strand (participates in β ladder)trans-86.995.5169.5-175.825.6000109.6S51 E52 L54 F618S51-N620 WeakPolarHBondContact CA-O 3.42Å; E52-N620 HydrophobicContact CB-CB 4.47Å; E52-N620 PolarHBondContact N-O 3.4Å; E52-N620 PolarHBondContact O-N 3.06Å; L54-N620 HydrophobicContact CD1-CB 4.07Å; F618-N620 HydrophobicContact CE2-CB 4.12Å
621D85.3Confident85.8Confident3 Ų330.7 Ų30.72%0.01618%0.183CC..  trans-111.986.8177.5-165.9-29.3000110.8R46 L619 F623 K624 R625 L792R46-D621 IonicContact CZ-OD1 3.31Å; R46-D621 IonicContact CZ-OD2 2.82Å; R46-D621 VanDerWaalsContact NH1-CG 3.35Å; R46-D621 IonicContact NH1-OD1 2.63Å; R46-D621 PolarHBondContact NH1-OD1 2.8Å; R46-D621 IonicContact NH1-OD2 3.11Å; R46-D621 PolarHBondContact NH1-OD2 2.73Å; R46-D621 IonicContact NH2-OD1 3.47Å; R46-D621 IonicContact NH2-OD2 3.18Å; R46-D621 PolarHBondContact NH2-OD2 3.12Å; L619-D621 HydrophobicContact CD2-CB 4.27Å; L619-D621 HydrophobicContact CG-CB 4.39Å; L619-D621 PolarHBondContact O-N 3.44Å; D621-F623 PolarHBondContact O-N 2.93Å; D621-F623 WeakPolarHBondContact OD1-CB 3.32Å; D621-F623 PolarHBondContact OD1-N 3.07Å; D621-K624 HydrophobicContact CB-CB 4.05Å; D621-K624 HydrophobicContact CB-CD 4.38Å; D621-K624 HydrophobicContact CB-CG 4.38Å; D621-K624 PolarHBondContact O-N 3.45Å; D621-K624 PolarHBondContact OD1-N 2.9Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CG 3.31Å; D621-R625 WeakPolarHBondContact O-CB 3.3Å; D621-R625 PolarHBondContact O-N 3.29Å; D621-L792 HydrophobicContact CB-CD1 4.47Å
622V83.1Confident85.5Confident62 Ų6231.2 Ų31.238%0.37619%0.189SC..Hα-helixtrans-59.2-32.9-179.8-177.30000111.4G626V622-G626 PolarHBondContact O-N 3.14Å
623F87Confident85.2Confident13 Ų1331 Ų316%0.05719%0.188CC..Hα-helixtrans-67.5-51.4175.4177-97.5000111.9I45 R46 D621 R625 G626 L627 I702I45-F623 HydrophobicContact CB-CE2 4.03Å; I45-F623 HydrophobicContact CG2-CD2 4.03Å; I45-F623 HydrophobicContact CG2-CE2 3.74Å; R46-F623 HydrophobicContact CB-CD1 4.15Å; R46-F623 HydrophobicContact CB-CD2 4.23Å; R46-F623 HydrophobicContact CB-CE1 3.86Å; R46-F623 HydrophobicContact CB-CE2 3.95Å; R46-F623 HydrophobicContact CB-CG 4.33Å; R46-F623 HydrophobicContact CB-CZ 3.75Å; R46-F623 HydrophobicContact CG-CD1 4.22Å; R46-F623 HydrophobicContact CG-CE1 4.2Å; D621-F623 PolarHBondContact O-N 2.93Å; D621-F623 WeakPolarHBondContact OD1-CB 3.32Å; D621-F623 PolarHBondContact OD1-N 3.07Å; F623-R625 VanDerWaalsContact C-N 3.3Å; F623-R625 PolarHBondContact O-N 3.3Å; F623-G626 PolarHBondContact O-N 3.44Å; F623-L627 HydrophobicContact CE1-CD2 3.81Å; F623-L627 HydrophobicContact CZ-CD1 4.37Å; F623-L627 HydrophobicContact CZ-CD2 4.19Å; F623-L627 WeakPolarHBondContact O-CB 3.4Å; F623-L627 PolarHBondContact O-N 3.17Å; F623-I702 HydrophobicContact CE1-CD1 4.15Å; F623-I702 HydrophobicContact CE1-CG1 4.01Å; F623-I702 HydrophobicContact CZ-CD1 4.24Å
624K86.6Confident85.1Confident10 Ų1031 Ų314%0.04319%0.188CC..Hα-helixtrans-61.1-39.6177.6-77.3-176.7172.5-174.10111.3D621 L627 Y628 I702 E791 L792D621-K624 HydrophobicContact CB-CB 4.05Å; D621-K624 HydrophobicContact CB-CD 4.38Å; D621-K624 HydrophobicContact CB-CG 4.38Å; D621-K624 PolarHBondContact O-N 3.45Å; D621-K624 PolarHBondContact OD1-N 2.9Å; D621-K624 WeakPolarHBondContact OD2-CD 3.43Å; D621-K624 WeakPolarHBondContact OD2-CG 3.31Å; K624-L627 PolarHBondContact O-N 3.14Å; K624-Y628 PolarHBondContact O-N 2.79Å; K624-I702 WeakPolarHBondContact CE-O 3.44Å; K624-E791 PolarHBondContact NZ-O 3.3Å; K624-E791 IonicContact NZ-OE1 3.7Å; K624-E791 PolarHBondContact NZ-OE1 2.96Å; K624-L792 HydrophobicContact CB-CD1 3.84Å
625R83.7Confident84.8Confident87 Ų8734.1 Ų34.133%0.32821%0.207SC..Hα-helixtrans-61-48.4174.5-171.9171.174.2-148.96.2112.1F437 D621 F623 Y628 L629F437-R625 HydrophobicContact CD1-CG 3.92Å; F437-R625 HydrophobicContact CE1-CG 4.02Å; F437-R625 HydrophobicContact CG-CG 4.19Å; F437-R625 HydrophobicContact CZ-CG 4.37Å; D621-R625 WeakPolarHBondContact O-CB 3.3Å; D621-R625 PolarHBondContact O-N 3.29Å; F623-R625 VanDerWaalsContact C-N 3.3Å; F623-R625 PolarHBondContact O-N 3.3Å; R625-Y628 PolarHBondContact O-N 3.06Å; R625-L629 HydrophobicContact CG-CD1 4.23Å; R625-L629 WeakPolarHBondContact O-CG 3.37Å; R625-L629 PolarHBondContact O-N 3.32Å
626G83.8Confident84.7Confident34 Ų3433.9 Ų33.935%0.35121%0.207SC..Hα-helixtrans-65.7-37.3176.200000113.4V622 F623 L629 A630V622-G626 PolarHBondContact O-N 3.14Å; F623-G626 PolarHBondContact O-N 3.44Å; G626-L629 PolarHBondContact O-N 2.93Å; G626-A630 VanDerWaalsContact O-CB 3.26Å; G626-A630 WeakPolarHBondContact O-CB 3.37Å; G626-A630 PolarHBondContact O-N 3.05Å
627L85Confident84.8Confident12 Ų1232.4 Ų32.46%0.06320%0.198CC..Hα-helixtrans-65.5-37177.7-174.968.4000112.2L42 F623 K624 Q631 G632 V633 I702L42-L627 HydrophobicContact CD1-CD1 4.32Å; L42-L627 HydrophobicContact CD2-CD1 4.03Å; F623-L627 HydrophobicContact CE1-CD2 3.81Å; F623-L627 HydrophobicContact CZ-CD1 4.37Å; F623-L627 HydrophobicContact CZ-CD2 4.19Å; F623-L627 WeakPolarHBondContact O-CB 3.4Å; F623-L627 PolarHBondContact O-N 3.17Å; K624-L627 PolarHBondContact O-N 3.14Å; L627-Q631 PolarHBondContact O-N 3Å; L627-Q631 VanDerWaalsContact O-N 3.17Å; L627-G632 PolarHBondContact O-N 2.91Å; L627-V633 HydrophobicContact CD1-CG2 3.88Å; L627-V633 HydrophobicContact CD2-CG2 3.63Å; L627-V633 HydrophobicContact CG-CG2 3.8Å; L627-I702 HydrophobicContact CD2-CG2 3.69Å
628Y83.9Confident84.8Confident21 Ų2129.9 Ų29.98%0.08217%0.174CC..Hα-helixtrans-66.1-54.8170.6-179.6-98.7000111.3F435 F437 K624 R625 A630 Q631 G785 I788 R789F435-Y628 HydrophobicContact CB-CE1 4.41Å; F435-Y628 AromaticContact CD1-CE1 3.77Å; F435-Y628 HydrophobicContact CD1-CE1 3.77Å; F435-Y628 WeakPolarHBondContact CD1-OH 3.43Å; F435-Y628 HydrophobicContact CD2-CE1 4.48Å; F435-Y628 HydrophobicContact CE1-CE1 4.11Å; F435-Y628 WeakPolarHBondContact CE1-OH 3.3Å; F435-Y628 AromaticContact CG-CE1 3.97Å; F435-Y628 HydrophobicContact CG-CE1 3.97Å; F437-Y628 AromaticContact CE1-CD1 3.71Å; F437-Y628 HydrophobicContact CE1-CD1 3.71Å; F437-Y628 HydrophobicContact CE1-CE1 4.09Å; F437-Y628 AromaticContact CZ-CD1 3.98Å; F437-Y628 HydrophobicContact CZ-CD1 3.98Å; F437-Y628 HydrophobicContact CZ-CE1 4.24Å; K624-Y628 PolarHBondContact O-N 2.79Å; R625-Y628 PolarHBondContact O-N 3.06Å; Y628-A630 VanDerWaalsContact C-N 3.32Å; Y628-A630 PolarHBondContact O-N 3.45Å; Y628-Q631 PolarHBondContact O-N 3.35Å; Y628-Q631 PolarHBondContact O-NE2 2.75Å; Y628-G785 WeakPolarHBondContact CE2-O 3.35Å; Y628-I788 HydrophobicContact CD2-CB 4.2Å; Y628-I788 HydrophobicContact CD2-CG2 3.9Å; Y628-I788 HydrophobicContact CG-CG2 4.36Å; Y628-R789 HydrophobicContact CE2-CB 4.27Å
629L77.6Confident85Confident97 Ų9731.6 Ų31.651%0.50819%0.185SC..Hα-helixtrans-57-42.6-179.2-75.9166.7000112.7F435 F437 R625 G626 Q631F435-L629 HydrophobicContact CD2-CD2 4.47Å; F437-L629 HydrophobicContact CE2-CD1 4.38Å; F437-L629 HydrophobicContact CE2-CD2 4.08Å; F437-L629 HydrophobicContact CE2-CG 4.41Å; F437-L629 HydrophobicContact CZ-CD1 4.19Å; F437-L629 HydrophobicContact CZ-CD2 3.69Å; F437-L629 HydrophobicContact CZ-CG 3.83Å; R625-L629 HydrophobicContact CG-CD1 4.23Å; R625-L629 WeakPolarHBondContact O-CG 3.37Å; R625-L629 PolarHBondContact O-N 3.32Å; G626-L629 PolarHBondContact O-N 2.93Å; L629-Q631 VanDerWaalsContact C-N 3.31Å; L629-Q631 PolarHBondContact O-N 2.94Å
630A78.6Confident85.3Confident73 Ų7330.9 Ų30.960%0.60318%0.182SC*.THydrogen-bonded Turntrans-81.9-2.5177.300000114.3G626 Y628 G632G626-A630 VanDerWaalsContact O-CB 3.26Å; G626-A630 WeakPolarHBondContact O-CB 3.37Å; G626-A630 PolarHBondContact O-N 3.05Å; Y628-A630 VanDerWaalsContact C-N 3.32Å; Y628-A630 PolarHBondContact O-N 3.45Å; A630-G632 PolarHBondContact O-N 3.18Å; A630-G632 VanDerWaalsContact O-N 3.12Å
631Q84.6Confident85.8Confident19 Ų1929 Ų299%0.08917%0.171CC..THydrogen-bonded Turntrans49.836.8-176-54.2-67.9-23.800112.6L627 Y628 L629 V633 Q634 V635 F754 L758L627-Q631 PolarHBondContact O-N 3Å; L627-Q631 VanDerWaalsContact O-N 3.17Å; Y628-Q631 PolarHBondContact O-N 3.35Å; Y628-Q631 PolarHBondContact O-NE2 2.75Å; L629-Q631 VanDerWaalsContact C-N 3.31Å; L629-Q631 PolarHBondContact O-N 2.94Å; Q631-V633 VanDerWaalsContact C-N 3.33Å; Q631-V633 PolarHBondContact O-N 3.16Å; Q631-Q634 PolarHBondContact O-N 3.22Å; Q631-Q634 PolarHBondContact O-OE1 2.85Å; Q631-Q634 VanDerWaalsContact O-OE1 3.1Å; Q631-V635 PolarHBondContact O-N 2.85Å; Q631-F754 HydrophobicContact CB-CE1 4.43Å; Q631-F754 HydrophobicContact CG-CE1 4.34Å; Q631-F754 HydrophobicContact CG-CZ 4.42Å; Q631-L758 HydrophobicContact CG-CD1 3.89Å; Q631-L758 HydrophobicContact CG-CD2 4.28Å
632G84.1Confident86.1Confident15 Ų1530 Ų3016%0.15518%0.178CC..Hα-helixtrans-68.9-29.1-16200000113.8L627 A630 A636L627-G632 PolarHBondContact O-N 2.91Å; A630-G632 PolarHBondContact O-N 3.18Å; A630-G632 VanDerWaalsContact O-N 3.12Å; G632-A636 WeakPolarHBondContact O-CB 3.41Å; G632-A636 PolarHBondContact O-N 2.96Å
633V86.1Confident86.4Confident0 Ų028.4 Ų28.40%017%0.168CC..Hα-helixtrans-71.1-42.6176.8-179.90000111F39 L627 Q631 A636 Y637 W784 I788F39-V633 HydrophobicContact CE1-CG1 4.41Å; L627-V633 HydrophobicContact CD1-CG2 3.88Å; L627-V633 HydrophobicContact CD2-CG2 3.63Å; L627-V633 HydrophobicContact CG-CG2 3.8Å; Q631-V633 VanDerWaalsContact C-N 3.33Å; Q631-V633 PolarHBondContact O-N 3.16Å; V633-A636 PolarHBondContact O-N 3.41Å; V633-Y637 HydrophobicContact CG1-CD2 3.73Å; V633-Y637 HydrophobicContact CG1-CE2 3.81Å; V633-Y637 WeakPolarHBondContact O-CD2 3.38Å; V633-Y637 PolarHBondContact O-N 3.16Å; V633-W784 HydrophobicContact CB-CE3 4.39Å; V633-W784 HydrophobicContact CG1-CD2 3.96Å; V633-W784 HydrophobicContact CG1-CE3 3.62Å; V633-W784 HydrophobicContact CG1-CH2 3.97Å; V633-W784 HydrophobicContact CG1-CZ2 4.31Å; V633-W784 HydrophobicContact CG1-CZ3 3.63Å; V633-I788 HydrophobicContact CB-CD1 3.89Å; V633-I788 HydrophobicContact CG2-CD1 3.75Å
634Q88.9Confident86.8Confident5 Ų527.9 Ų27.92%0.02317%0.166CC..Hα-helixtrans-61.7-45.7178.3-6487-2500110.7Q631 Y637 L638 A781 W784Q631-Q634 PolarHBondContact O-N 3.22Å; Q631-Q634 PolarHBondContact O-OE1 2.85Å; Q631-Q634 VanDerWaalsContact O-OE1 3.1Å; Q634-Y637 PolarHBondContact O-N 2.67Å; Q634-L638 PolarHBondContact O-N 3.21Å; Q634-L638 VanDerWaalsContact O-N 3.08Å; Q634-A781 HydrophobicContact CB-CB 4.25Å; Q634-A781 HydrophobicContact CG-CB 3.85Å; Q634-A781 PolarHBondContact NE2-O 2.81Å; Q634-A781 VanDerWaalsContact NE2-O 3.13Å; Q634-W784 HydrophobicContact CG-CB 3.8Å
635V85.9Confident87.1Confident67 Ų6727.4 Ų27.441%0.40616%0.163SC..Hα-helixtrans-64.6-42.6175.6177.30000111.3Q631 Y637 L638 L639Q631-V635 PolarHBondContact O-N 2.85Å; V635-Y637 PolarHBondContact O-N 3.34Å; V635-L638 PolarHBondContact O-N 3.18Å; V635-L639 HydrophobicContact CG1-CD1 3.81Å; V635-L639 HydrophobicContact CG1-CG 4.33Å; V635-L639 WeakPolarHBondContact O-CB 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.3Å; V635-L639 PolarHBondContact O-N 3.15Å
636A89.2Confident87.5Confident5 Ų524.1 Ų24.14%0.04116%0.155CC..Hα-helixtrans-61.9-41.5176.500000113V38 F39 L42 G632 V633 G640V38-A636 HydrophobicContact CG1-CB 3.76Å; F39-A636 HydrophobicContact CD1-CB 4.42Å; F39-A636 HydrophobicContact CE1-CB 3.88Å; F39-A636 HydrophobicContact CE2-CB 4.01Å; F39-A636 HydrophobicContact CZ-CB 3.65Å; L42-A636 HydrophobicContact CD1-CB 3.73Å; G632-A636 WeakPolarHBondContact O-CB 3.41Å; G632-A636 PolarHBondContact O-N 2.96Å; V633-A636 PolarHBondContact O-N 3.41Å; A636-G640 PolarHBondContact O-N 2.68Å
637Y90.4Very high87.8Confident1 Ų124 Ų240%0.00415%0.146CC..Hα-helixtrans-62.2-45.4174.2-97.2-73000112.3F39 V633 Q634 V635 L641 F690 I693 L697 M711 C715 F780 W784F39-Y637 HydrophobicContact CE1-CD2 4.2Å; F39-Y637 HydrophobicContact CE1-CE2 4.06Å; F39-Y637 HydrophobicContact CE2-CG 4.45Å; F39-Y637 HydrophobicContact CZ-CD1 4.24Å; F39-Y637 AromaticContact CZ-CD2 3.55Å; F39-Y637 HydrophobicContact CZ-CD2 3.55Å; F39-Y637 HydrophobicContact CZ-CE1 4.4Å; F39-Y637 AromaticContact CZ-CE2 3.69Å; F39-Y637 HydrophobicContact CZ-CE2 3.69Å; F39-Y637 AromaticContact CZ-CG 3.82Å; F39-Y637 HydrophobicContact CZ-CG 3.82Å; V633-Y637 HydrophobicContact CG1-CD2 3.73Å; V633-Y637 HydrophobicContact CG1-CE2 3.81Å; V633-Y637 WeakPolarHBondContact O-CD2 3.38Å; V633-Y637 PolarHBondContact O-N 3.16Å; Q634-Y637 PolarHBondContact O-N 2.67Å; V635-Y637 PolarHBondContact O-N 3.34Å; Y637-L641 HydrophobicContact CD1-CD1 4.31Å; Y637-L641 WeakPolarHBondContact O-CB 3.09Å; Y637-L641 VanDerWaalsContact O-CG 3.3Å; Y637-L641 WeakPolarHBondContact O-CG 3.14Å; Y637-L641 PolarHBondContact O-N 3.48Å; Y637-F690 HydrophobicContact CD1-CE1 4.45Å; Y637-F690 HydrophobicContact CE1-CD1 4.09Å; Y637-F690 HydrophobicContact CE1-CE1 4.04Å; Y637-I693 HydrophobicContact CD1-CD1 4.44Å; Y637-I693 HydrophobicContact CE1-CD1 4.06Å; Y637-I693 HydrophobicContact CE1-CG2 4.05Å; Y637-I693 HydrophobicContact CE2-CG2 4.38Å; Y637-I693 WeakPolarHBondContact OH-CG2 3.11Å; Y637-L697 HydrophobicContact CE2-CD1 4.36Å; Y637-M711 WeakPolarHBondContact OH-CE 3.25Å; Y637-C715 PolarHBondContact OH-SG 3.02Å; Y637-C715 VanDerWaalsContact OH-SG 3.4Å; Y637-F780 HydrophobicContact CD1-CE1 4.37Å; Y637-F780 AromaticContact CD1-CZ 3.81Å; Y637-F780 HydrophobicContact CD1-CZ 3.81Å; Y637-F780 HydrophobicContact CD2-CE1 4.16Å; Y637-F780 AromaticContact CD2-CZ 3.94Å; Y637-F780 HydrophobicContact CD2-CZ 3.94Å; Y637-F780 HydrophobicContact CE1-CZ 4.26Å; Y637-F780 HydrophobicContact CE2-CZ 4.42Å; Y637-F780 AromaticContact CG-CE1 3.82Å; Y637-F780 HydrophobicContact CG-CE1 3.82Å; Y637-F780 AromaticContact CG-CZ 3.64Å; Y637-F780 HydrophobicContact CG-CZ 3.64Å; Y637-W784 HydrophobicContact CD2-CZ2 4.18Å; Y637-W784 AromaticContact CE2-CE2 3.7Å; Y637-W784 AromaticContact CE2-CH2 3.96Å; Y637-W784 HydrophobicContact CE2-CH2 3.96Å; Y637-W784 AromaticContact CE2-CZ2 3.31Å; Y637-W784 HydrophobicContact CE2-CZ2 3.31Å; Y637-W784 AromaticContact CZ-CZ2 3.82Å
638L86.6Confident88.1Confident15 Ų1523.5 Ų23.58%0.07914%0.144CC..Hα-helixtrans-60.7-54.6177.9-166.285.1000110.4Q634 V635 G640 L641 V642 F747 F748 L751 T777Q634-L638 PolarHBondContact O-N 3.21Å; Q634-L638 VanDerWaalsContact O-N 3.08Å; V635-L638 PolarHBondContact O-N 3.18Å; L638-G640 VanDerWaalsContact C-N 3.34Å; L638-G640 PolarHBondContact O-N 3.16Å; L638-L641 PolarHBondContact O-N 3.11Å; L638-V642 WeakPolarHBondContact O-CG2 3.31Å; L638-V642 PolarHBondContact O-N 2.85Å; L638-F747 HydrophobicContact CD1-CD1 3.93Å; L638-F747 HydrophobicContact CD1-CD2 4.32Å; L638-F747 HydrophobicContact CD1-CE1 3.6Å; L638-F747 HydrophobicContact CD1-CE2 4.01Å; L638-F747 HydrophobicContact CD1-CG 4.28Å; L638-F747 HydrophobicContact CD1-CZ 3.65Å; L638-F747 HydrophobicContact CG-CD1 4.35Å; L638-F747 HydrophobicContact CG-CE1 4.02Å; L638-F747 HydrophobicContact CG-CZ 4.47Å; L638-F748 HydrophobicContact CD2-CD1 3.42Å; L638-F748 VanDerWaalsContact CD2-CD1 3.42Å; L638-F748 HydrophobicContact CD2-CE1 3.75Å; L638-F748 HydrophobicContact CD2-CG 4.36Å; L638-F748 HydrophobicContact CG-CD1 4.42Å; L638-L751 HydrophobicContact CD1-CB 4.48Å; L638-L751 HydrophobicContact CD2-CB 4.27Å; L638-L751 HydrophobicContact CD2-CD2 3.84Å; L638-T777 HydrophobicContact CD1-CG2 4.23Å
639L88.8Confident88.5Confident67 Ų6722.5 Ų22.535%0.35114%0.14SC..Hα-helixtrans-57.7-45-179.5-71.2171.4000111.9W34 V38 V635 L641 F748W34-L639 PolarHBondContact NE1-O 2.96Å; V38-L639 HydrophobicContact CG1-CB 4.38Å; V635-L639 HydrophobicContact CG1-CD1 3.81Å; V635-L639 HydrophobicContact CG1-CG 4.33Å; V635-L639 WeakPolarHBondContact O-CB 3.3Å; V635-L639 WeakPolarHBondContact O-CG 3.3Å; V635-L639 PolarHBondContact O-N 3.15Å; L639-L641 VanDerWaalsContact C-N 3.3Å; L639-L641 PolarHBondContact O-N 3.24Å; L639-F748 HydrophobicContact CD2-CE1 4.05Å; L639-F748 HydrophobicContact CD2-CZ 4.13Å
640G89.1Confident89.2Confident2 Ų221.4 Ų21.42%0.02113%0.129CC..Hα-helixtrans-62-31.9179.400000114.3A636 L638A636-G640 PolarHBondContact O-N 2.68Å; L638-G640 VanDerWaalsContact C-N 3.34Å; L638-G640 PolarHBondContact O-N 3.16Å
641L93.1Very high89.6Confident0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-94.4-13.7-174.9-66.9173.5000114.9Y637 L638 L639 V643 F644 V645 L686 I689 F690 F718 L722 F747Y637-L641 HydrophobicContact CD1-CD1 4.31Å; Y637-L641 WeakPolarHBondContact O-CB 3.09Å; Y637-L641 VanDerWaalsContact O-CG 3.3Å; Y637-L641 WeakPolarHBondContact O-CG 3.14Å; Y637-L641 PolarHBondContact O-N 3.48Å; L638-L641 PolarHBondContact O-N 3.11Å; L639-L641 VanDerWaalsContact C-N 3.3Å; L639-L641 PolarHBondContact O-N 3.24Å; L641-V643 PolarHBondContact O-N 3.3Å; L641-F644 WeakPolarHBondContact O-CB 3.27Å; L641-F644 PolarHBondContact O-N 3.13Å; L641-V645 PolarHBondContact O-N 3.04Å; L641-V645 VanDerWaalsContact O-N 3.08Å; L641-L686 HydrophobicContact CD2-CD2 3.84Å; L641-I689 HydrophobicContact CD2-CG2 3.96Å; L641-F690 HydrophobicContact CD1-CE1 4.11Å; L641-F690 HydrophobicContact CD1-CZ 4.39Å; L641-F690 HydrophobicContact CD2-CE1 4.23Å; L641-F718 HydrophobicContact CD1-CE1 3.73Å; L641-L722 HydrophobicContact CD1-CD2 4.24Å; L641-F747 HydrophobicContact CB-CE1 4.02Å; L641-F747 HydrophobicContact CB-CZ 4.12Å
642V91.5Very high89.8Confident26 Ų2619.9 Ų19.916%0.15811%0.108CC..Hα-helixtrans-52-41.4178.3162.10000112.7L638 V645 A646 A744 F747 F748L638-V642 WeakPolarHBondContact O-CG2 3.31Å; L638-V642 PolarHBondContact O-N 2.85Å; V642-V645 PolarHBondContact O-N 3.3Å; V642-A646 WeakPolarHBondContact O-CB 3.24Å; V642-A646 PolarHBondContact O-N 2.78Å; V642-A646 VanDerWaalsContact O-N 3.07Å; V642-A744 HydrophobicContact CG1-CB 4.08Å; V642-F747 HydrophobicContact CG2-CD1 3.87Å; V642-F747 HydrophobicContact CG2-CE1 4.2Å; V642-F748 HydrophobicContact CB-CE2 4.48Å; V642-F748 HydrophobicContact CG1-CE2 4.08Å; V642-F748 HydrophobicContact CG1-CZ 4.49Å; V642-F748 HydrophobicContact CG2-CD2 4.28Å; V642-F748 HydrophobicContact CG2-CE1 4.19Å; V642-F748 HydrophobicContact CG2-CE2 3.54Å; V642-F748 HydrophobicContact CG2-CZ 3.49Å; V642-F748 VanDerWaalsContact CG2-CZ 3.49Å
643V90.9Very high90.1Very high27 Ų2719.1 Ų19.116%0.16410%0.101CC..Hα-helixtrans-62.9-46.4177.1177.80000110.9I30 L31 W34 L641 V645 A646 L647I30-V643 HydrophobicContact CG2-CG1 4.2Å; L31-V643 HydrophobicContact CB-CG1 4.48Å; L31-V643 HydrophobicContact CD1-CG1 4.14Å; W34-V643 HydrophobicContact CB-CG2 4.27Å; W34-V643 HydrophobicContact CD2-CG2 4.48Å; W34-V643 HydrophobicContact CG-CG2 3.84Å; L641-V643 PolarHBondContact O-N 3.3Å; V643-V645 VanDerWaalsContact C-N 3.35Å; V643-V645 PolarHBondContact O-N 3.16Å; V643-A646 PolarHBondContact O-N 3.09Å; V643-L647 HydrophobicContact CG1-CD1 3.86Å; V643-L647 HydrophobicContact CG1-CG 4.22Å; V643-L647 VanDerWaalsContact O-CG 3.27Å; V643-L647 WeakPolarHBondContact O-CG 3.48Å; V643-L647 PolarHBondContact O-N 3.06Å
644F94Very high90.3Very high2 Ų223.1 Ų23.11%0.00912%0.116CC..Hα-helixtrans-59-44.8178.8167.5-92.7000112.2L31 L641 L647 S648 S682 E685 L686 I689 L722 I723L31-F644 HydrophobicContact CD1-CB 3.74Å; L31-F644 HydrophobicContact CD1-CD2 4.3Å; L641-F644 WeakPolarHBondContact O-CB 3.27Å; L641-F644 PolarHBondContact O-N 3.13Å; F644-L647 PolarHBondContact O-N 3.38Å; F644-S648 VanDerWaalsContact CE2-OG 3.24Å; F644-S648 WeakPolarHBondContact CE2-OG 3.29Å; F644-S648 WeakPolarHBondContact CZ-OG 3.46Å; F644-S648 VanDerWaalsContact O-CB 3.25Å; F644-S648 WeakPolarHBondContact O-CB 3.29Å; F644-S648 PolarHBondContact O-N 2.83Å; F644-S648 PolarHBondContact O-OG 3.24Å; F644-S648 VanDerWaalsContact O-OG 3.11Å; F644-S682 WeakPolarHBondContact CE2-O 3.48Å; F644-E685 HydrophobicContact CD2-CB 4.42Å; F644-E685 HydrophobicContact CE2-CB 4.25Å; F644-L686 HydrophobicContact CD1-CD1 4.48Å; F644-L686 HydrophobicContact CD1-CD2 3.7Å; F644-L686 HydrophobicContact CD1-CG 4.21Å; F644-L686 HydrophobicContact CD2-CD2 4.06Å; F644-L686 HydrophobicContact CD2-CG 4.19Å; F644-L686 HydrophobicContact CE1-CD1 3.67Å; F644-L686 HydrophobicContact CE1-CD2 3.73Å; F644-L686 HydrophobicContact CE1-CG 3.74Å; F644-L686 HydrophobicContact CE2-CD1 4.33Å; F644-L686 HydrophobicContact CE2-CD2 4.07Å; F644-L686 HydrophobicContact CE2-CG 3.7Å; F644-L686 HydrophobicContact CG-CD2 3.88Å; F644-L686 HydrophobicContact CG-CG 4.42Å; F644-L686 HydrophobicContact CZ-CD1 3.58Å; F644-L686 HydrophobicContact CZ-CD2 3.9Å; F644-L686 HydrophobicContact CZ-CG 3.45Å; F644-L686 VanDerWaalsContact CZ-CG 3.45Å; F644-I689 HydrophobicContact CB-CD1 4.34Å; F644-I689 HydrophobicContact CD2-CD1 4.36Å; F644-L722 HydrophobicContact CD1-CD2 3.94Å; F644-L722 HydrophobicContact CE1-CD2 3.98Å; F644-L722 HydrophobicContact CE1-CG 4.29Å; F644-I723 HydrophobicContact CZ-CG1 4.41Å
645V93.4Very high90.2Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-59.6-54.7177.5174.40000110.3L641 V642 V643 L647 S648 V649 L722 F747L641-V645 PolarHBondContact O-N 3.04Å; L641-V645 VanDerWaalsContact O-N 3.08Å; V642-V645 PolarHBondContact O-N 3.3Å; V643-V645 VanDerWaalsContact C-N 3.35Å; V643-V645 PolarHBondContact O-N 3.16Å; V645-L647 VanDerWaalsContact C-N 3.31Å; V645-L647 PolarHBondContact O-N 3.2Å; V645-S648 PolarHBondContact O-N 3.35Å; V645-V649 WeakPolarHBondContact O-CB 3.28Å; V645-V649 VanDerWaalsContact O-CG2 3.31Å; V645-V649 WeakPolarHBondContact O-CG2 3.29Å; V645-V649 PolarHBondContact O-N 2.91Å; V645-L722 HydrophobicContact CG2-CD1 3.75Å; V645-L722 HydrophobicContact CG2-CD2 4.31Å; V645-L722 HydrophobicContact CG2-CG 4.28Å; V645-F747 HydrophobicContact CG1-CB 4.45Å; V645-F747 HydrophobicContact CG2-CD1 4.07Å; V645-F747 HydrophobicContact CG2-CD2 4.46Å; V645-F747 HydrophobicContact CG2-CE1 4.23Å; V645-F747 HydrophobicContact CG2-CG 4.18Å
646A91.2Very high90.2Very high19 Ų1922 Ų2216%0.15711%0.105CC..Hα-helixtrans-57.3-43.1-177.900000112.1V642 V643 R650 A740V642-A646 WeakPolarHBondContact O-CB 3.24Å; V642-A646 PolarHBondContact O-N 2.78Å; V642-A646 VanDerWaalsContact O-N 3.07Å; V643-A646 PolarHBondContact O-N 3.09Å; A646-R650 WeakPolarHBondContact O-CB 3.38Å; A646-R650 PolarHBondContact O-N 3.39Å; A646-A740 HydrophobicContact CB-CB 4.37Å; A646-A740 WeakPolarHBondContact O-CB 3.11Å
647L91.1Very high89.9Confident31 Ų3125.8 Ų25.816%0.16212%0.122CC..Hα-helixtrans-74.8-43.6-178-61.7-172.7000113.3L27 L31 V643 F644 V645 V649 R650 E651L27-L647 HydrophobicContact CD1-CD1 3.96Å; L27-L647 HydrophobicContact CD1-CD2 3.81Å; L27-L647 HydrophobicContact CD2-CD1 4.05Å; L27-L647 HydrophobicContact CD2-CD2 4.06Å; L27-L647 HydrophobicContact CG-CD1 3.67Å; L27-L647 HydrophobicContact CG-CD2 4.16Å; L31-L647 HydrophobicContact CB-CD1 4.34Å; L31-L647 HydrophobicContact CD1-CD1 4.48Å; V643-L647 HydrophobicContact CG1-CD1 3.86Å; V643-L647 HydrophobicContact CG1-CG 4.22Å; V643-L647 VanDerWaalsContact O-CG 3.27Å; V643-L647 WeakPolarHBondContact O-CG 3.48Å; V643-L647 PolarHBondContact O-N 3.06Å; F644-L647 PolarHBondContact O-N 3.38Å; V645-L647 VanDerWaalsContact C-N 3.31Å; V645-L647 PolarHBondContact O-N 3.2Å; L647-V649 VanDerWaalsContact C-N 3.26Å; L647-V649 PolarHBondContact O-N 3.01Å; L647-R650 PolarHBondContact O-N 3.47Å; L647-E651 PolarHBondContact O-N 2.97Å
648S90.9Very high89.6Confident1 Ų127.2 Ų27.21%0.00713%0.132CC..Hα-helixtrans-60.2-37.9176.7-72.90000111.8F644 V645 W678 S682F644-S648 VanDerWaalsContact CE2-OG 3.24Å; F644-S648 WeakPolarHBondContact CE2-OG 3.29Å; F644-S648 WeakPolarHBondContact CZ-OG 3.46Å; F644-S648 VanDerWaalsContact O-CB 3.25Å; F644-S648 WeakPolarHBondContact O-CB 3.29Å; F644-S648 PolarHBondContact O-N 2.83Å; F644-S648 PolarHBondContact O-OG 3.24Å; F644-S648 VanDerWaalsContact O-OG 3.11Å; V645-S648 PolarHBondContact O-N 3.35Å; S648-W678 PolarHBondContact O-NE1 3.29Å; S648-S682 PolarHBondContact OG-OG 3.12Å; S648-S682 VanDerWaalsContact OG-OG 3.05Å
649V92.8Very high89.5Confident0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-72.1-45.3175172.10000111.3V645 L647 E651 R652 I653 C726 C729 T730V645-V649 WeakPolarHBondContact O-CB 3.28Å; V645-V649 VanDerWaalsContact O-CG2 3.31Å; V645-V649 WeakPolarHBondContact O-CG2 3.29Å; V645-V649 PolarHBondContact O-N 2.91Å; L647-V649 VanDerWaalsContact C-N 3.26Å; L647-V649 PolarHBondContact O-N 3.01Å; V649-E651 PolarHBondContact O-N 3.34Å; V649-R652 PolarHBondContact O-N 2.9Å; V649-I653 HydrophobicContact CG1-CD1 3.53Å; V649-I653 HydrophobicContact CG1-CG1 4.41Å; V649-I653 WeakPolarHBondContact O-CG1 3.43Å; V649-I653 PolarHBondContact O-N 3.08Å; V649-I653 VanDerWaalsContact O-N 3.1Å; V649-C726 HydrophobicContact CG2-CB 3.97Å; V649-C729 HydrophobicContact CG2-CB 4.31Å; V649-T730 HydrophobicContact CB-CG2 4.09Å; V649-T730 HydrophobicContact CG1-CG2 3.94Å; V649-T730 HydrophobicContact CG2-CG2 4.07Å
650R91.2Very high89.4Confident74 Ų7428.7 Ų28.728%0.27913%0.132SC..Hα-helixtrans-56.9-51179.3-167.2-171.268.2147.88.1112.5A646 L647 R652 I653 W654 A736 A740A646-R650 WeakPolarHBondContact O-CB 3.38Å; A646-R650 PolarHBondContact O-N 3.39Å; L647-R650 PolarHBondContact O-N 3.47Å; R650-R652 VanDerWaalsContact C-N 3.32Å; R650-R652 PolarHBondContact O-N 3.27Å; R650-I653 PolarHBondContact O-N 2.96Å; R650-W654 WeakPolarHBondContact O-CB 3.18Å; R650-W654 PolarHBondContact O-N 2.86Å; R650-A736 HydrophobicContact CG-CB 3.97Å; R650-A740 HydrophobicContact CB-CB 3.93Å; R650-A740 HydrophobicContact CG-CB 4.3Å
651E87.9Confident89.2Confident27 Ų2728.7 Ų28.713%0.12613%0.131CC..Hα-helixtrans-59.1-43.7-175.6-179.3169.5-134.500111.8R21 L647 V649 W654 M655R21-E651 IonicContact CZ-OE2 3.2Å; R21-E651 VanDerWaalsContact CZ-OE2 3.31Å; R21-E651 IonicContact NE-OE1 2.66Å; R21-E651 IonicContact NE-OE2 2.84Å; R21-E651 PolarHBondContact NE-OE2 3.35Å; R21-E651 VanDerWaalsContact NE-OE2 3.15Å; R21-E651 IonicContact NH2-OE2 2.78Å; R21-E651 PolarHBondContact NH2-OE2 3.13Å; L647-E651 PolarHBondContact O-N 2.97Å; V649-E651 PolarHBondContact O-N 3.34Å; E651-W654 PolarHBondContact O-N 3.48Å; E651-M655 PolarHBondContact O-N 3.15Å
652R89Confident88.6Confident33 Ų3329.5 Ų29.513%0.12514%0.135CC..Hα-helixtrans-73.3-36.9-178.2-177.5163.9177.1-170.1-5.6113.6V649 R650 L675 T730V649-R652 PolarHBondContact O-N 2.9Å; R650-R652 VanDerWaalsContact C-N 3.32Å; R650-R652 PolarHBondContact O-N 3.27Å; R652-L675 VanDerWaalsContact NH1-CD1 3.29Å; R652-T730 HydrophobicContact CB-CG2 3.9Å; R652-T730 HydrophobicContact CG-CG2 4.07Å
653I90.3Very high88.4Confident0 Ų028.7 Ų28.70%013%0.13CC..Hα-helixtrans-69-40.7172.3-61.2164.5000109.9V649 R650 M655 R656 E657 T730 F733 S735 A736V649-I653 HydrophobicContact CG1-CD1 3.53Å; V649-I653 HydrophobicContact CG1-CG1 4.41Å; V649-I653 WeakPolarHBondContact O-CG1 3.43Å; V649-I653 PolarHBondContact O-N 3.08Å; V649-I653 VanDerWaalsContact O-N 3.1Å; R650-I653 PolarHBondContact O-N 2.96Å; I653-M655 VanDerWaalsContact C-N 3.31Å; I653-M655 PolarHBondContact O-N 2.73Å; I653-R656 CarbonylContact O-C 3.55Å; I653-R656 WeakPolarHBondContact O-CA 3.36Å; I653-R656 WeakPolarHBondContact O-CB 3.34Å; I653-R656 PolarHBondContact O-N 3.27Å; I653-E657 WeakPolarHBondContact O-CB 3.28Å; I653-E657 PolarHBondContact O-N 3.18Å; I653-T730 HydrophobicContact CG1-CG2 4.29Å; I653-F733 HydrophobicContact CD1-CB 3.83Å; I653-S735 VanDerWaalsContact CG2-C 3.43Å; I653-A736 HydrophobicContact CB-CB 4.24Å; I653-A736 HydrophobicContact CG2-CB 4.23Å
654W90.1Very high88.1Confident84 Ų8427.4 Ų27.432%0.31812%0.122SC..Hα-helixtrans-59.1-39.5178.2179.984.4000112.5R650 E651 R656 E657 S658 A736 I932 P933R650-W654 WeakPolarHBondContact O-CB 3.18Å; R650-W654 PolarHBondContact O-N 2.86Å; E651-W654 PolarHBondContact O-N 3.48Å; W654-R656 PolarHBondContact O-N 2.95Å; W654-E657 PolarHBondContact O-N 3.07Å; W654-S658 VanDerWaalsContact O-CB 3.27Å; W654-S658 WeakPolarHBondContact O-CB 3.44Å; W654-S658 PolarHBondContact O-N 3.13Å; W654-S658 PolarHBondContact O-OG 2.87Å; W654-A736 HydrophobicContact CB-CB 3.84Å; W654-I932 HydrophobicContact CH2-CB 4.4Å; W654-I932 HydrophobicContact CH2-CG1 4.19Å; W654-I932 HydrophobicContact CH2-CG2 4.12Å; W654-P933 HydrophobicContact CZ2-CG 4.07Å
655M87.3Confident87.6Confident14 Ų1429.2 Ų29.27%0.06913%0.129CC..Hα-helixtrans-61.4-26.2172.6-78.4-68.2-63.900113.9E651 I653 N660 S661 M664E651-M655 PolarHBondContact O-N 3.15Å; I653-M655 VanDerWaalsContact C-N 3.31Å; I653-M655 PolarHBondContact O-N 2.73Å; M655-N660 HydrophobicContact CE-CB 3.92Å; M655-N660 PolarHBondContact O-N 3.19Å; M655-N660 HydrophobicContact SD-CB 4.03Å; M655-S661 VanDerWaalsContact O-CB 3.29Å; M655-S661 WeakPolarHBondContact O-CB 3.44Å; M655-S661 PolarHBondContact O-N 3.3Å; M655-M664 HydrophobicContact CE-CE 4.17Å; M655-M664 HydrophobicContact CE-SD 3.88Å
656R86Confident86.8Confident35 Ų3529.7 Ų29.713%0.13213%0.132CC..Hα-helixtrans-85.7-45.1175-63.6171.959.8-139.8-13.9112.1I653 W654 R659 T730 F733I653-R656 CarbonylContact O-C 3.55Å; I653-R656 WeakPolarHBondContact O-CA 3.36Å; I653-R656 WeakPolarHBondContact O-CB 3.34Å; I653-R656 PolarHBondContact O-N 3.27Å; W654-R656 PolarHBondContact O-N 2.95Å; R656-R659 PolarHBondContact O-N 3.01Å; R656-R659 VanDerWaalsContact O-N 3.13Å; R656-T730 PolarHBondContact NH1-O 3.05Å; R656-F733 PolarHBondContact NH1-O 2.88Å
657E83.2Confident86.2Confident84 Ų8428.8 Ų28.839%0.39313%0.125SC..Hα-helixtrans-63.4-46.3-179-176.4170.2-146.700111.5I653 W654 R659 S735 A736I653-E657 WeakPolarHBondContact O-CB 3.28Å; I653-E657 PolarHBondContact O-N 3.18Å; W654-E657 PolarHBondContact O-N 3.07Å; E657-R659 PolarHBondContact O-N 3.23Å; E657-R659 VanDerWaalsContact O-N 3.14Å; E657-S735 VanDerWaalsContact OE1-CA 3.27Å; E657-S735 WeakPolarHBondContact OE1-CA 3.38Å; E657-S735 WeakPolarHBondContact OE1-CB 3.31Å; E657-S735 PolarHBondContact OE1-OG 3.05Å; E657-A736 WeakPolarHBondContact OE2-CB 3.46Å; E657-A736 PolarHBondContact OE2-N 3.14Å
658S82.9Confident85.4Confident31 Ų3128.7 Ų28.722%0.21713%0.131CC..THydrogen-bonded Turntrans-70.2-1.4173.5640000114.6W654 N660W654-S658 VanDerWaalsContact O-CB 3.27Å; W654-S658 WeakPolarHBondContact O-CB 3.44Å; W654-S658 PolarHBondContact O-N 3.13Å; W654-S658 PolarHBondContact O-OG 2.87Å; S658-N660 WeakPolarHBondContact CB-ND2 3.34Å; S658-N660 PolarHBondContact O-N 3.04Å; S658-N660 PolarHBondContact OG-ND2 2.99Å
659R85.7Confident84.8Confident112 Ų11229 Ų2942%0.42313%0.132SC..SBendtrans57.68.1-173.8-49.9-174.8-165.4157.513.1115.8R656 E657 S661 M662 L663 D928 I930R656-R659 PolarHBondContact O-N 3.01Å; R656-R659 VanDerWaalsContact O-N 3.13Å; E657-R659 PolarHBondContact O-N 3.23Å; E657-R659 VanDerWaalsContact O-N 3.14Å; R659-S661 VanDerWaalsContact C-N 3.27Å; R659-S661 PolarHBondContact O-N 3.04Å; R659-M662 HydrophobicContact CB-CB 4.33Å; R659-M662 WeakPolarHBondContact O-CA 3.42Å; R659-M662 VanDerWaalsContact O-CB 3.31Å; R659-M662 WeakPolarHBondContact O-CB 3.42Å; R659-M662 PolarHBondContact O-N 3Å; R659-L663 PolarHBondContact O-N 3.15Å; R659-D928 IonicContact CZ-OD2 3.18Å; R659-D928 IonicContact NH1-OD2 2.74Å; R659-D928 PolarHBondContact NH1-OD2 3.38Å; R659-D928 IonicContact NH2-OD2 2.76Å; R659-D928 PolarHBondContact NH2-OD2 2.87Å; R659-I930 HydrophobicContact CB-CD1 3.81Å; R659-I930 HydrophobicContact CB-CG1 4.26Å
660N86.4Confident84.1Confident1 Ų132.4 Ų32.41%0.00515%0.147CC..Hα-helixtrans-55.6-41175.9-83.1-68000112.1M655 S658 M662 L663 M664 I930 L931M655-N660 HydrophobicContact CE-CB 3.92Å; M655-N660 PolarHBondContact O-N 3.19Å; M655-N660 HydrophobicContact SD-CB 4.03Å; S658-N660 WeakPolarHBondContact CB-ND2 3.34Å; S658-N660 PolarHBondContact O-N 3.04Å; S658-N660 PolarHBondContact OG-ND2 2.99Å; N660-M662 VanDerWaalsContact C-N 3.31Å; N660-M662 PolarHBondContact O-N 3.2Å; N660-L663 PolarHBondContact O-N 3.33Å; N660-M664 WeakPolarHBondContact O-CG 3.33Å; N660-M664 PolarHBondContact O-N 2.79Å; N660-I930 HydrophobicContact CB-CG2 4.48Å; N660-L931 PolarHBondContact ND2-O 2.82Å
661S84.2Confident83.2Confident1 Ų131.1 Ų31.11%0.00715%0.152CC..Hα-helixtrans-55.8-41.7172.3-176.40000113.1M655 R659 R665 E674M655-S661 VanDerWaalsContact O-CB 3.29Å; M655-S661 WeakPolarHBondContact O-CB 3.44Å; M655-S661 PolarHBondContact O-N 3.3Å; R659-S661 VanDerWaalsContact C-N 3.27Å; R659-S661 PolarHBondContact O-N 3.04Å; S661-R665 WeakPolarHBondContact O-CB 3.17Å; S661-R665 WeakPolarHBondContact O-CD 3.48Å; S661-R665 WeakPolarHBondContact O-CG 3.4Å; S661-R665 PolarHBondContact O-N 3.33Å; S661-R665 VanDerWaalsContact O-N 3.08Å; S661-R665 PolarHBondContact OG-NE 3.36Å; S661-R665 PolarHBondContact OG-NH2 2.72Å; S661-E674 WeakPolarHBondContact CB-OE1 3.4Å; S661-E674 VanDerWaalsContact OG-CD 3.24Å; S661-E674 PolarHBondContact OG-OE1 3.4Å; S661-E674 PolarHBondContact OG-OE2 2.73Å; S661-E674 VanDerWaalsContact OG-OE2 3.08Å
662M80.9Confident82.8Confident17 Ų1734.3 Ų34.38%0.08417%0.167CC..Hα-helixtrans-69.9-39.5179.1-175.3-179.3-179.100111.5R659 N660 S666 F844 Q906R659-M662 HydrophobicContact CB-CB 4.33Å; R659-M662 WeakPolarHBondContact O-CA 3.42Å; R659-M662 VanDerWaalsContact O-CB 3.31Å; R659-M662 WeakPolarHBondContact O-CB 3.42Å; R659-M662 PolarHBondContact O-N 3Å; N660-M662 VanDerWaalsContact C-N 3.31Å; N660-M662 PolarHBondContact O-N 3.2Å; M662-S666 WeakPolarHBondContact O-CB 3.45Å; M662-S666 PolarHBondContact O-N 2.96Å; M662-S666 PolarHBondContact O-OG 2.95Å; M662-F844 HydrophobicContact CG-CE2 4.47Å; M662-F844 HydrophobicContact CG-CZ 4.08Å; M662-F844 VanDerWaalsContact O-CZ 3.3Å; M662-F844 WeakPolarHBondContact O-CZ 3.38Å; M662-Q906 VanDerWaalsContact CE-CD 3.49Å; M662-Q906 VanDerWaalsContact CE-NE2 3.27Å; M662-Q906 VanDerWaalsContact CE-OE1 3.24Å
663L86.2Confident82.6Confident9 Ų932.8 Ų32.85%0.04716%0.161CC..Hα-helixtrans-64.1-52.9175.3-175.959.4000111.3R659 N660 R665 S666 M667 I930 Y944R659-L663 PolarHBondContact O-N 3.15Å; N660-L663 PolarHBondContact O-N 3.33Å; L663-R665 VanDerWaalsContact C-N 3.34Å; L663-R665 PolarHBondContact O-N 3.37Å; L663-S666 PolarHBondContact O-N 3.27Å; L663-S666 VanDerWaalsContact O-N 3.1Å; L663-S666 PolarHBondContact O-OG 3.36Å; L663-M667 HydrophobicContact CD1-CE 3.47Å; L663-M667 VanDerWaalsContact CD1-CE 3.47Å; L663-M667 HydrophobicContact CG-CE 4Å; L663-M667 PolarHBondContact O-N 2.67Å; L663-I930 HydrophobicContact CB-CG2 4.05Å; L663-I930 HydrophobicContact CD2-CB 4.05Å; L663-I930 HydrophobicContact CD2-CG2 3.76Å; L663-Y944 WeakPolarHBondContact CD2-OH 3.37Å
664M85.8Confident82.3Confident1 Ų134.2 Ų34.21%0.00517%0.168CC..Hα-helixtrans-59.7-41.7-179.4-67.8175.3-179.400112.4L13 K16 M655 N660 M667 G668 L669 I932 L943 Y944L13-M664 HydrophobicContact CD2-SD 4.46Å; K16-M664 HydrophobicContact CD-CE 4.18Å; M655-M664 HydrophobicContact CE-CE 4.17Å; M655-M664 HydrophobicContact CE-SD 3.88Å; N660-M664 WeakPolarHBondContact O-CG 3.33Å; N660-M664 PolarHBondContact O-N 2.79Å; M664-M667 CarbonylContact O-C 3.59Å; M664-M667 PolarHBondContact O-N 3.02Å; M664-G668 PolarHBondContact O-N 3.41Å; M664-L669 HydrophobicContact CB-CB 4.07Å; M664-L669 HydrophobicContact CB-CD2 3.76Å; M664-L669 VanDerWaalsContact O-CB 3.25Å; M664-L669 WeakPolarHBondContact O-CB 3.32Å; M664-L669 PolarHBondContact O-N 2.92Å; M664-L669 HydrophobicContact SD-CD2 4.32Å; M664-I932 HydrophobicContact CE-CD1 4.05Å; M664-L943 HydrophobicContact CE-CD2 3.94Å; M664-Y944 HydrophobicContact CG-CE1 3.8Å
665R82.1Confident82.1Confident40 Ų4032.1 Ų32.115%0.15116%0.163CC..Hα-helixtrans-67.1-36.2174.9-69.5170.4-171.7-171.26.9112.9S661 L663 M667 G668 E674 Y842 F844S661-R665 WeakPolarHBondContact O-CB 3.17Å; S661-R665 WeakPolarHBondContact O-CD 3.48Å; S661-R665 WeakPolarHBondContact O-CG 3.4Å; S661-R665 PolarHBondContact O-N 3.33Å; S661-R665 VanDerWaalsContact O-N 3.08Å; S661-R665 PolarHBondContact OG-NE 3.36Å; S661-R665 PolarHBondContact OG-NH2 2.72Å; L663-R665 VanDerWaalsContact C-N 3.34Å; L663-R665 PolarHBondContact O-N 3.37Å; R665-M667 VanDerWaalsContact C-N 3.26Å; R665-M667 PolarHBondContact O-N 3.48Å; R665-G668 WeakPolarHBondContact O-CA 3.23Å; R665-G668 PolarHBondContact O-N 3.07Å; R665-E674 IonicContact CZ-OE2 2.69Å; R665-E674 IonicContact NE-OE2 2.74Å; R665-E674 PolarHBondContact NE-OE2 2.68Å; R665-E674 IonicContact NH2-OE1 3.71Å; R665-E674 IonicContact NH2-OE2 3.91Å; R665-E674 PolarHBondContact NH2-OE2 3.37Å; R665-Y842 PolarHBondContact NH1-O 3.28Å; R665-Y842 VanDerWaalsContact NH1-O 3.08Å; R665-F844 HydrophobicContact CB-CD2 3.64Å; R665-F844 HydrophobicContact CB-CE2 3.49Å; R665-F844 VanDerWaalsContact CB-CE2 3.49Å; R665-F844 HydrophobicContact CB-CG 4.33Å; R665-F844 HydrophobicContact CB-CZ 4.05Å; R665-F844 HydrophobicContact CG-CD2 4.5Å; R665-F844 HydrophobicContact CG-CE2 4.46Å
666S77.8Confident82.2Confident10 Ų1033.6 Ų33.67%0.0717%0.173CC..Hα-helixtrans-65.2-31.3173.8740000112.6M662 L663 G668M662-S666 WeakPolarHBondContact O-CB 3.45Å; M662-S666 PolarHBondContact O-N 2.96Å; M662-S666 PolarHBondContact O-OG 2.95Å; L663-S666 PolarHBondContact O-N 3.27Å; L663-S666 VanDerWaalsContact O-N 3.1Å; L663-S666 PolarHBondContact O-OG 3.36Å; S666-G668 PolarHBondContact O-N 2.94Å
667M79.5Confident82.4Confident0 Ų032 Ų320%017%0.167CC..THydrogen-bonded Turntrans-83.610170-62.1-176.6-172.900113.3L663 M664 R665 Q921 V924 Y944 I996L663-M667 HydrophobicContact CD1-CE 3.47Å; L663-M667 VanDerWaalsContact CD1-CE 3.47Å; L663-M667 HydrophobicContact CG-CE 4Å; L663-M667 PolarHBondContact O-N 2.67Å; M664-M667 CarbonylContact O-C 3.59Å; M664-M667 PolarHBondContact O-N 3.02Å; R665-M667 VanDerWaalsContact C-N 3.26Å; R665-M667 PolarHBondContact O-N 3.48Å; M667-Q921 VanDerWaalsContact O-CB 3.29Å; M667-Q921 WeakPolarHBondContact O-CB 3.44Å; M667-Q921 PolarHBondContact O-OE1 3.33Å; M667-V924 WeakPolarHBondContact CE-O 3.24Å; M667-Y944 HydrophobicContact SD-CD1 3.52Å; M667-Y944 VanDerWaalsContact SD-CD1 3.52Å; M667-Y944 HydrophobicContact SD-CE1 3.71Å; M667-Y944 HydrophobicContact SD-CG 4.38Å; M667-I996 HydrophobicContact CE-CG2 3.66Å; M667-I996 HydrophobicContact SD-CG2 3.97Å
668G73.7Confident82.9Confident28 Ų2828.7 Ų28.729%0.28915%0.151SC..THydrogen-bonded Turntrans95.16.716800000117.3M664 R665 S666 K670 Q921M664-G668 PolarHBondContact O-N 3.41Å; R665-G668 WeakPolarHBondContact O-CA 3.23Å; R665-G668 PolarHBondContact O-N 3.07Å; S666-G668 PolarHBondContact O-N 2.94Å; G668-K670 PolarHBondContact O-N 3.3Å; G668-Q921 PolarHBondContact O-NE2 3.28Å
669L78.7Confident83.3Confident7 Ų728.5 Ų28.54%0.03715%0.151CC..  trans-59.2133.6169.8-173.973.8000110.7E9 L13 M664 S673 E674 I947E9-L669 HydrophobicContact CB-CD1 4.04Å; E9-L669 HydrophobicContact CG-CD1 4.05Å; E9-L669 WeakPolarHBondContact OE2-CD1 3.36Å; L13-L669 HydrophobicContact CD1-CD1 4.01Å; L13-L669 HydrophobicContact CD1-CD2 4.15Å; L13-L669 HydrophobicContact CD2-CD2 4.31Å; M664-L669 HydrophobicContact CB-CB 4.07Å; M664-L669 HydrophobicContact CB-CD2 3.76Å; M664-L669 VanDerWaalsContact O-CB 3.25Å; M664-L669 WeakPolarHBondContact O-CB 3.32Å; M664-L669 PolarHBondContact O-N 2.92Å; M664-L669 HydrophobicContact SD-CD2 4.32Å; L669-S673 WeakPolarHBondContact CD1-OG 3.44Å; L669-E674 HydrophobicContact CD2-CB 4.27Å; L669-I947 HydrophobicContact CB-CG2 4.28Å; L669-I947 HydrophobicContact CD1-CD1 4.46Å; L669-I947 HydrophobicContact CD1-CG1 4.38Å; L669-I947 HydrophobicContact CD1-CG2 4.37Å
670K77Confident83.6Confident73 Ų7326.5 Ų26.532%0.31715%0.148SC..  trans-71.3132.2177.5-64.3169.7178.6178.80110.2H4 N6 E9 G668 H672 S673H4-K670 PolarHBondContact O-NZ 2.83Å; N6-K670 PolarHBondContact ND2-NZ 3.27Å; N6-K670 VanDerWaalsContact ND2-NZ 3.15Å; N6-K670 PolarHBondContact OD1-NZ 2.73Å; E9-K670 PolarHBondContact OE2-N 2.99Å; G668-K670 PolarHBondContact O-N 3.3Å; K670-H672 PolarHBondContact O-N 3.48Å; K670-S673 PolarHBondContact O-N 2.96Å; K670-S673 PolarHBondContact O-OG 2.95Å
671A72.9Confident83.9Confident46 Ų4627.2 Ų27.238%0.3815%0.152SC..Hα-helixtrans-59.6-15.5178.100000114.4
672H79Confident84.3Confident95 Ų9527.1 Ų27.144%0.4415%0.151SC..Hα-helixtrans-89.6-26.4174.5-63.4-73.6000114.2K670 L675 V676K670-H672 PolarHBondContact O-N 3.48Å; H672-L675 PolarHBondContact O-N 3.38Å; H672-V676 WeakPolarHBondContact O-CB 2.95Å; H672-V676 WeakPolarHBondContact O-CG2 3.4Å; H672-V676 PolarHBondContact O-N 2.9Å
673S84.7Confident84.9Confident1 Ų129.2 Ų29.21%0.00716%0.16CC..Hα-helixtrans-72.2-34.8177.247.50000111.2E9 L669 K670 V676 A677E9-S673 WeakPolarHBondContact OE2-CB 3.48Å; E9-S673 PolarHBondContact OE2-OG 3.11Å; L669-S673 WeakPolarHBondContact CD1-OG 3.44Å; K670-S673 PolarHBondContact O-N 2.96Å; K670-S673 PolarHBondContact O-OG 2.95Å; S673-V676 PolarHBondContact O-N 3.08Å; S673-A677 VanDerWaalsContact O-CB 3.28Å; S673-A677 WeakPolarHBondContact O-CB 3.36Å; S673-A677 PolarHBondContact O-N 2.88Å
674E84.7Confident85.2Confident30 Ų3033.5 Ų33.514%0.1418%0.183CC..Hα-helixtrans-57.4-48.7167.7-174.9-176.7-173.100112.6S661 R665 L669 W678S661-E674 WeakPolarHBondContact CB-OE1 3.4Å; S661-E674 VanDerWaalsContact OG-CD 3.24Å; S661-E674 PolarHBondContact OG-OE1 3.4Å; S661-E674 PolarHBondContact OG-OE2 2.73Å; S661-E674 VanDerWaalsContact OG-OE2 3.08Å; R665-E674 IonicContact CZ-OE2 2.69Å; R665-E674 IonicContact NE-OE2 2.74Å; R665-E674 PolarHBondContact NE-OE2 2.68Å; R665-E674 IonicContact NH2-OE1 3.71Å; R665-E674 IonicContact NH2-OE2 3.91Å; R665-E674 PolarHBondContact NH2-OE2 3.37Å; L669-E674 HydrophobicContact CD2-CB 4.27Å; E674-W678 PolarHBondContact O-N 3.36Å
675L85.9Confident85.5Confident40 Ų4034.9 Ų34.921%0.20919%0.189CC..Hα-helixtrans-62.5-45.8177.5169.363.4000112R652 H672 W678 A679R652-L675 VanDerWaalsContact NH1-CD1 3.29Å; H672-L675 PolarHBondContact O-N 3.38Å; L675-W678 HydrophobicContact CD1-CE3 4.2Å; L675-W678 HydrophobicContact CD1-CZ3 4.36Å; L675-A679 WeakPolarHBondContact O-CB 3.45Å; L675-A679 PolarHBondContact O-N 3.08Å
676V89.6Confident86Confident45 Ų4533 Ų3327%0.27318%0.182SC..Hα-helixtrans-74.3-34.8-175.7169.90000112L5 V10 H672 S673 A679 L680L5-V676 HydrophobicContact CD2-CB 4.1Å; L5-V676 HydrophobicContact CD2-CG1 4.08Å; L5-V676 HydrophobicContact CD2-CG2 4.05Å; V10-V676 HydrophobicContact CG1-CG1 4.45Å; H672-V676 WeakPolarHBondContact O-CB 2.95Å; H672-V676 WeakPolarHBondContact O-CG2 3.4Å; H672-V676 PolarHBondContact O-N 2.9Å; S673-V676 PolarHBondContact O-N 3.08Å; V676-A679 PolarHBondContact O-N 2.96Å; V676-L680 HydrophobicContact CG1-CD1 3.77Å; V676-L680 HydrophobicContact CG1-CG 4.21Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 VanDerWaalsContact O-CG 3.24Å; V676-L680 WeakPolarHBondContact O-CG 3.47Å; V676-L680 PolarHBondContact O-N 2.84Å
677A90.2Very high86.8Confident1 Ų134.2 Ų34.21%0.00819%0.19CC..Hα-helixtrans-62.6-49.4172.800000111.5V10 L13 L14 S673 A679 L680 M681V10-A677 HydrophobicContact CG1-CB 4.3Å; L13-A677 HydrophobicContact CB-CB 3.43Å; L13-A677 VanDerWaalsContact CB-CB 3.43Å; L13-A677 HydrophobicContact CD1-CB 3.92Å; L13-A677 HydrophobicContact CG-CB 4.35Å; L14-A677 HydrophobicContact CD2-CB 4.11Å; L14-A677 WeakPolarHBondContact CD2-O 3.45Å; S673-A677 VanDerWaalsContact O-CB 3.28Å; S673-A677 WeakPolarHBondContact O-CB 3.36Å; S673-A677 PolarHBondContact O-N 2.88Å; A677-A679 PolarHBondContact O-N 3.25Å; A677-L680 PolarHBondContact O-N 3.34Å; A677-M681 WeakPolarHBondContact O-CG 3.17Å; A677-M681 PolarHBondContact O-N 2.6Å
678W92.2Very high87.5Confident14 Ų1437.6 Ų37.65%0.05321%0.21CC..Hα-helixtrans-57.5-47.4174.5168.782.2000112S648 E674 L675 L680 M681 S682 I723 C726S648-W678 PolarHBondContact O-NE1 3.29Å; E674-W678 PolarHBondContact O-N 3.36Å; L675-W678 HydrophobicContact CD1-CE3 4.2Å; L675-W678 HydrophobicContact CD1-CZ3 4.36Å; W678-L680 PolarHBondContact O-N 2.86Å; W678-M681 PolarHBondContact O-N 3.33Å; W678-S682 WeakPolarHBondContact O-CB 3.47Å; W678-S682 PolarHBondContact O-N 3.08Å; W678-S682 PolarHBondContact O-OG 2.8Å; W678-I723 HydrophobicContact CH2-CG2 4.05Å; W678-I723 HydrophobicContact CZ3-CG2 3.85Å; W678-C726 HydrophobicContact CH2-CB 4.07Å; W678-C726 HydrophobicContact CZ2-CB 4.1Å
679A92Very high88.4Confident27 Ų2736.3 Ų36.322%0.22320%0.197CC..Hα-helixtrans-63.6-40.7-179.400000112.5L675 V676 A677 F683 I723L675-A679 WeakPolarHBondContact O-CB 3.45Å; L675-A679 PolarHBondContact O-N 3.08Å; V676-A679 PolarHBondContact O-N 2.96Å; A677-A679 PolarHBondContact O-N 3.25Å; A679-F683 VanDerWaalsContact O-CB 3.25Å; A679-F683 WeakPolarHBondContact O-CB 3.39Å; A679-F683 PolarHBondContact O-N 2.73Å; A679-I723 HydrophobicContact CB-CG2 4.25Å
680L92.7Very high89.1Confident71 Ų7136 Ų3637%0.37220%0.195SC..Hα-helixtrans-67.6-40.4175.9-74.1170.6000112.2V10 L14 V676 A677 W678 F683 L684V10-L680 HydrophobicContact CG1-CD1 3.93Å; L14-L680 HydrophobicContact CD2-CB 3.9Å; V676-L680 HydrophobicContact CG1-CD1 3.77Å; V676-L680 HydrophobicContact CG1-CG 4.21Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 VanDerWaalsContact O-CG 3.24Å; V676-L680 WeakPolarHBondContact O-CG 3.47Å; V676-L680 PolarHBondContact O-N 2.84Å; A677-L680 PolarHBondContact O-N 3.34Å; W678-L680 PolarHBondContact O-N 2.86Å; L680-F683 PolarHBondContact O-N 2.93Å; L680-L684 WeakPolarHBondContact O-CB 3.32Å; L680-L684 VanDerWaalsContact O-CG 3.28Å; L680-L684 WeakPolarHBondContact O-CG 3.34Å; L680-L684 PolarHBondContact O-N 3Å
681M92.1Very high90Very high15 Ų1534.8 Ų34.87%0.07420%0.198CC..Hα-helixtrans-65-43.6175.6-75.5-56.3-54.200112.3L14 D17 L18 R21 A677 W678 L684 E685L14-M681 HydrophobicContact CB-SD 4.08Å; L14-M681 HydrophobicContact CD2-CG 3.56Å; L14-M681 HydrophobicContact CD2-SD 3.8Å; D17-M681 HydrophobicContact CB-CE 4.42Å; D17-M681 HydrophobicContact CB-CG 3.75Å; D17-M681 HydrophobicContact CB-SD 4.39Å; L18-M681 HydrophobicContact CB-CE 4.11Å; R21-M681 PolarHBondContact NH1-O 2.8Å; A677-M681 WeakPolarHBondContact O-CG 3.17Å; A677-M681 PolarHBondContact O-N 2.6Å; W678-M681 PolarHBondContact O-N 3.33Å; M681-L684 PolarHBondContact O-N 3.2Å; M681-E685 PolarHBondContact O-N 3.18Å; M681-E685 VanDerWaalsContact O-N 3.14Å
682S92Very high90.9Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-66.3-35.9174.6-76.50000112.3F644 S648 W678 L686F644-S682 WeakPolarHBondContact CE2-O 3.48Å; S648-S682 PolarHBondContact OG-OG 3.12Å; S648-S682 VanDerWaalsContact OG-OG 3.05Å; W678-S682 WeakPolarHBondContact O-CB 3.47Å; W678-S682 PolarHBondContact O-N 3.08Å; W678-S682 PolarHBondContact O-OG 2.8Å; S682-L686 PolarHBondContact O-N 2.69Å; S682-L686 VanDerWaalsContact O-N 3.09Å
683F94Very high91.6Very high60 Ų6031.6 Ų31.626%0.26318%0.178SC..Hα-helixtrans-66.3-44.2173.4-177-107000112A679 L680 E685 L686 C687 L716 L720 I723A679-F683 VanDerWaalsContact O-CB 3.25Å; A679-F683 WeakPolarHBondContact O-CB 3.39Å; A679-F683 PolarHBondContact O-N 2.73Å; L680-F683 PolarHBondContact O-N 2.93Å; F683-E685 VanDerWaalsContact C-N 3.32Å; F683-E685 PolarHBondContact O-N 2.6Å; F683-L686 PolarHBondContact O-N 3.23Å; F683-C687 VanDerWaalsContact CE1-SG 3.54Å; F683-C687 PolarHBondContact O-N 2.84Å; F683-C687 PolarHBondContact O-SG 2.99Å; F683-L716 HydrophobicContact CE2-CD2 4.04Å; F683-L716 HydrophobicContact CZ-CD2 4.13Å; F683-L720 HydrophobicContact CD2-CD2 3.68Å; F683-L720 HydrophobicContact CD2-CG 4.29Å; F683-L720 HydrophobicContact CE2-CD2 3.76Å; F683-L720 HydrophobicContact CE2-CG 4.01Å; F683-I723 HydrophobicContact CB-CD1 3.78Å; F683-I723 HydrophobicContact CD2-CD1 4.25Å
684L92.4Very high91.9Very high100 Ų10031.8 Ų31.852%0.52418%0.179SC..Hα-helixtrans-60.8-38.7176.8-74.9167.6000112.6L680 M681 C687 V688L680-L684 WeakPolarHBondContact O-CB 3.32Å; L680-L684 VanDerWaalsContact O-CG 3.28Å; L680-L684 WeakPolarHBondContact O-CG 3.34Å; L680-L684 PolarHBondContact O-N 3Å; M681-L684 PolarHBondContact O-N 3.2Å; L684-C687 PolarHBondContact O-N 2.71Å; L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 2.7Å
685E91.9Very high92.2Very high30 Ų3032.2 Ų32.214%0.1419%0.192CC..Hα-helixtrans-66-43.3173.1-81.9170.9171.400112.5R21 L31 F644 M681 F683 C687 V688 I689R21-E685 IonicContact CZ-OE1 2.76Å; R21-E685 IonicContact CZ-OE2 2.97Å; R21-E685 IonicContact NE-OE1 3.82Å; R21-E685 IonicContact NH1-OE1 3.76Å; R21-E685 PolarHBondContact NH1-OE1 3.12Å; R21-E685 IonicContact NH1-OE2 2.81Å; R21-E685 PolarHBondContact NH1-OE2 3.11Å; R21-E685 IonicContact NH2-OE2 3.16Å; L31-E685 VanDerWaalsContact CD2-CD 3.43Å; L31-E685 HydrophobicContact CD2-CG 4.14Å; F644-E685 HydrophobicContact CD2-CB 4.42Å; F644-E685 HydrophobicContact CE2-CB 4.25Å; M681-E685 PolarHBondContact O-N 3.18Å; M681-E685 VanDerWaalsContact O-N 3.14Å; F683-E685 VanDerWaalsContact C-N 3.32Å; F683-E685 PolarHBondContact O-N 2.6Å; E685-C687 PolarHBondContact O-N 3.16Å; E685-V688 PolarHBondContact O-N 2.87Å; E685-I689 WeakPolarHBondContact O-CG1 3.24Å; E685-I689 PolarHBondContact O-N 2.77Å
686L92.8Very high92.5Very high1 Ų131 Ų311%0.00519%0.186CC..Hα-helixtrans-62.1-40.7174.3-76.1177.8000112.4L641 F644 S682 F683 V688 I689 F690 G719 L722 I723L641-L686 HydrophobicContact CD2-CD2 3.84Å; F644-L686 HydrophobicContact CD1-CD1 4.48Å; F644-L686 HydrophobicContact CD1-CD2 3.7Å; F644-L686 HydrophobicContact CD1-CG 4.21Å; F644-L686 HydrophobicContact CD2-CD2 4.06Å; F644-L686 HydrophobicContact CD2-CG 4.19Å; F644-L686 HydrophobicContact CE1-CD1 3.67Å; F644-L686 HydrophobicContact CE1-CD2 3.73Å; F644-L686 HydrophobicContact CE1-CG 3.74Å; F644-L686 HydrophobicContact CE2-CD1 4.33Å; F644-L686 HydrophobicContact CE2-CD2 4.07Å; F644-L686 HydrophobicContact CE2-CG 3.7Å; F644-L686 HydrophobicContact CG-CD2 3.88Å; F644-L686 HydrophobicContact CG-CG 4.42Å; F644-L686 HydrophobicContact CZ-CD1 3.58Å; F644-L686 HydrophobicContact CZ-CD2 3.9Å; F644-L686 HydrophobicContact CZ-CG 3.45Å; F644-L686 VanDerWaalsContact CZ-CG 3.45Å; S682-L686 PolarHBondContact O-N 2.69Å; S682-L686 VanDerWaalsContact O-N 3.09Å; F683-L686 PolarHBondContact O-N 3.23Å; L686-V688 VanDerWaalsContact C-N 3.3Å; L686-V688 PolarHBondContact O-N 2.94Å; L686-I689 PolarHBondContact O-N 3.45Å; L686-F690 HydrophobicContact CB-CD2 4.14Å; L686-F690 HydrophobicContact CB-CE2 3.85Å; L686-F690 HydrophobicContact CD1-CE2 4.45Å; L686-F690 HydrophobicContact CD2-CE2 4.09Å; L686-F690 HydrophobicContact CD2-CZ 4.06Å; L686-F690 HydrophobicContact CG-CE2 4.35Å; L686-F690 WeakPolarHBondContact O-CB 3.49Å; L686-F690 WeakPolarHBondContact O-CD2 3.15Å; L686-F690 WeakPolarHBondContact O-CG 3.49Å; L686-F690 PolarHBondContact O-N 2.83Å; L686-G719 WeakPolarHBondContact CD1-O 3.27Å; L686-L722 HydrophobicContact CD1-CD2 4.44Å; L686-L722 HydrophobicContact CD2-CD2 4.3Å; L686-I723 HydrophobicContact CD1-CD1 4.03Å; L686-I723 HydrophobicContact CD1-CG1 3.98Å
687C94.4Very high92.5Very high34 Ų3428.9 Ų28.923%0.2317%0.173CC..Hα-helixtrans-57.4-42.8174.3-67.90000112F683 L684 E685 A691 L716F683-C687 VanDerWaalsContact CE1-SG 3.54Å; F683-C687 PolarHBondContact O-N 2.84Å; F683-C687 PolarHBondContact O-SG 2.99Å; L684-C687 PolarHBondContact O-N 2.71Å; E685-C687 PolarHBondContact O-N 3.16Å; C687-A691 WeakPolarHBondContact O-CB 3.45Å; C687-A691 PolarHBondContact O-N 3.41Å; C687-L716 HydrophobicContact CB-CD2 4.44Å; C687-L716 WeakPolarHBondContact SG-CD2 3.37Å
688V93.7Very high92.6Very high72 Ų7231.7 Ų31.744%0.43618%0.184SC..Hα-helixtrans-69.1-43.2177174.80000111.2L32 L684 E685 L686 A691 L692L32-V688 HydrophobicContact CD2-CG1 3.82Å; L684-V688 WeakPolarHBondContact O-CG2 3.47Å; L684-V688 PolarHBondContact O-N 2.7Å; E685-V688 PolarHBondContact O-N 2.87Å; L686-V688 VanDerWaalsContact C-N 3.3Å; L686-V688 PolarHBondContact O-N 2.94Å; V688-A691 PolarHBondContact O-N 3.17Å; V688-L692 HydrophobicContact CG1-CD1 4Å; V688-L692 WeakPolarHBondContact O-CB 3.16Å; V688-L692 VanDerWaalsContact O-CG 3.28Å; V688-L692 WeakPolarHBondContact O-CG 3.42Å; V688-L692 PolarHBondContact O-N 3.38Å
689I93.6Very high92.4Very high1 Ų134.9 Ų34.91%0.00521%0.209CC..Hα-helixtrans-61.7-48177.6-71.8161.1000111L31 L32 P35 L641 F644 E685 L686 L692 I693L31-I689 HydrophobicContact CD1-CD1 4.04Å; L31-I689 HydrophobicContact CG-CD1 4.31Å; L32-I689 HydrophobicContact CD2-CG1 4.11Å; P35-I689 HydrophobicContact CB-CG2 4.04Å; P35-I689 HydrophobicContact CG-CG1 4.28Å; P35-I689 HydrophobicContact CG-CG2 3.86Å; L641-I689 HydrophobicContact CD2-CG2 3.96Å; F644-I689 HydrophobicContact CB-CD1 4.34Å; F644-I689 HydrophobicContact CD2-CD1 4.36Å; E685-I689 WeakPolarHBondContact O-CG1 3.24Å; E685-I689 PolarHBondContact O-N 2.77Å; L686-I689 PolarHBondContact O-N 3.45Å; I689-L692 PolarHBondContact O-N 2.8Å; I689-I693 HydrophobicContact CG2-CD1 3.65Å; I689-I693 HydrophobicContact CG2-CG1 4.39Å; I689-I693 VanDerWaalsContact O-CG1 3.3Å; I689-I693 WeakPolarHBondContact O-CG1 3.18Å; I689-I693 PolarHBondContact O-N 2.71Å
690F94.4Very high91.9Very high1 Ų134 Ų340%0.00420%0.202CC..Hα-helixtrans-68.5-34.8178.3-64.2-45.1000112.8Y637 L641 L686 I693 S694 M712 C715 L716 F718Y637-F690 HydrophobicContact CD1-CE1 4.45Å; Y637-F690 HydrophobicContact CE1-CD1 4.09Å; Y637-F690 HydrophobicContact CE1-CE1 4.04Å; L641-F690 HydrophobicContact CD1-CE1 4.11Å; L641-F690 HydrophobicContact CD1-CZ 4.39Å; L641-F690 HydrophobicContact CD2-CE1 4.23Å; L686-F690 HydrophobicContact CB-CD2 4.14Å; L686-F690 HydrophobicContact CB-CE2 3.85Å; L686-F690 HydrophobicContact CD1-CE2 4.45Å; L686-F690 HydrophobicContact CD2-CE2 4.09Å; L686-F690 HydrophobicContact CD2-CZ 4.06Å; L686-F690 HydrophobicContact CG-CE2 4.35Å; L686-F690 WeakPolarHBondContact O-CB 3.49Å; L686-F690 WeakPolarHBondContact O-CD2 3.15Å; L686-F690 WeakPolarHBondContact O-CG 3.49Å; L686-F690 PolarHBondContact O-N 2.83Å; F690-I693 HydrophobicContact CD1-CD1 4.46Å; F690-S694 VanDerWaalsContact O-CB 3.28Å; F690-S694 WeakPolarHBondContact O-CB 3.1Å; F690-S694 PolarHBondContact O-N 3.31Å; F690-S694 PolarHBondContact O-OG 3.15Å; F690-M712 HydrophobicContact CB-SD 4.32Å; F690-C715 HydrophobicContact CB-CB 4.21Å; F690-C715 HydrophobicContact CD1-CB 3.89Å; F690-C715 HydrophobicContact CD2-CB 4.06Å; F690-C715 HydrophobicContact CE1-CB 4.23Å; F690-C715 HydrophobicContact CE2-CB 4.38Å; F690-C715 WeakPolarHBondContact CE2-O 3.38Å; F690-C715 HydrophobicContact CG-CB 3.81Å; F690-C715 HydrophobicContact CZ-CB 4.46Å; F690-C715 WeakPolarHBondContact CZ-O 3.26Å; F690-L716 HydrophobicContact CD2-CD2 4.2Å; F690-F718 HydrophobicContact CZ-CD1 4.25Å
691A93.9Very high91.5Very high46 Ų4632.2 Ų32.238%0.3820%0.201SC..Hα-helixtrans-59.9-48171.300000111.1C687 V688 S694 G695 M712C687-A691 WeakPolarHBondContact O-CB 3.45Å; C687-A691 PolarHBondContact O-N 3.41Å; V688-A691 PolarHBondContact O-N 3.17Å; A691-S694 PolarHBondContact O-N 3.17Å; A691-S694 PolarHBondContact O-OG 3.15Å; A691-G695 PolarHBondContact O-N 2.77Å; A691-M712 HydrophobicContact CB-CE 4.38Å
692L92.9Very high91.2Very high75 Ų7531.9 Ų31.939%0.39320%0.199SC..Hα-helixtrans-62.7-46.6177.4-70.2169000112.6V36 V688 I689 G695 V696V36-L692 HydrophobicContact CG2-CB 3.88Å; V36-L692 HydrophobicContact CG2-CD1 4.12Å; V36-L692 HydrophobicContact CG2-CG 4.44Å; V688-L692 HydrophobicContact CG1-CD1 4Å; V688-L692 WeakPolarHBondContact O-CB 3.16Å; V688-L692 VanDerWaalsContact O-CG 3.28Å; V688-L692 WeakPolarHBondContact O-CG 3.42Å; V688-L692 PolarHBondContact O-N 3.38Å; I689-L692 PolarHBondContact O-N 2.8Å; L692-G695 PolarHBondContact O-N 3.01Å; L692-V696 PolarHBondContact O-N 3.47Å; L692-V696 VanDerWaalsContact O-N 3.15Å
693I92.6Very high90.9Very high0 Ų032 Ų320%020%0.2CC..Hα-helixtrans-61.1-45.7176.4-66.7166.7000110.7P35 F39 Y637 I689 F690 G695 V696 L697P35-I693 HydrophobicContact CB-CD1 3.98Å; P35-I693 HydrophobicContact CB-CG1 4.17Å; F39-I693 HydrophobicContact CD1-CG2 3.93Å; F39-I693 HydrophobicContact CD2-CB 4.37Å; F39-I693 HydrophobicContact CD2-CD1 4.18Å; F39-I693 HydrophobicContact CD2-CG1 3.8Å; F39-I693 HydrophobicContact CD2-CG2 3.78Å; F39-I693 HydrophobicContact CE1-CG2 3.85Å; F39-I693 HydrophobicContact CE2-CD1 3.89Å; F39-I693 HydrophobicContact CE2-CG1 3.99Å; F39-I693 HydrophobicContact CE2-CG2 3.71Å; F39-I693 HydrophobicContact CG-CG1 4.49Å; F39-I693 HydrophobicContact CG-CG2 3.9Å; F39-I693 HydrophobicContact CZ-CG2 3.75Å; Y637-I693 HydrophobicContact CD1-CD1 4.44Å; Y637-I693 HydrophobicContact CE1-CD1 4.06Å; Y637-I693 HydrophobicContact CE1-CG2 4.05Å; Y637-I693 HydrophobicContact CE2-CG2 4.38Å; Y637-I693 WeakPolarHBondContact OH-CG2 3.11Å; I689-I693 HydrophobicContact CG2-CD1 3.65Å; I689-I693 HydrophobicContact CG2-CG1 4.39Å; I689-I693 VanDerWaalsContact O-CG1 3.3Å; I689-I693 WeakPolarHBondContact O-CG1 3.18Å; I689-I693 PolarHBondContact O-N 2.71Å; F690-I693 HydrophobicContact CD1-CD1 4.46Å; I693-G695 VanDerWaalsContact C-N 3.29Å; I693-G695 PolarHBondContact O-N 3Å; I693-V696 PolarHBondContact O-N 2.8Å; I693-L697 HydrophobicContact CG2-CD1 3.79Å; I693-L697 HydrophobicContact CG2-CG 4.27Å; I693-L697 WeakPolarHBondContact O-CG 3.22Å; I693-L697 PolarHBondContact O-N 3Å
694S91.7Very high90.3Very high4 Ų431.8 Ų31.83%0.02822%0.215CC..Hα-helixtrans-60.9-40176.775.80000111.5F690 A691 V696 L697 Y698 W708F690-S694 VanDerWaalsContact O-CB 3.28Å; F690-S694 WeakPolarHBondContact O-CB 3.1Å; F690-S694 PolarHBondContact O-N 3.31Å; F690-S694 PolarHBondContact O-OG 3.15Å; A691-S694 PolarHBondContact O-N 3.17Å; A691-S694 PolarHBondContact O-OG 3.15Å; S694-V696 VanDerWaalsContact C-N 3.34Å; S694-V696 PolarHBondContact O-N 3.45Å; S694-L697 PolarHBondContact O-N 2.92Å; S694-Y698 VanDerWaalsContact O-CD2 3.31Å; S694-Y698 WeakPolarHBondContact O-CD2 3.37Å; S694-Y698 PolarHBondContact O-N 3.18Å; S694-W708 PolarHBondContact OG-NE1 2.94Å
695G91.2Very high90.1Very high40 Ų4031.4 Ų31.441%0.41221%0.207SC..Hα-helixtrans-54.6-49.2174.800000112.1A691 L692 I693 S699A691-G695 PolarHBondContact O-N 2.77Å; L692-G695 PolarHBondContact O-N 3.01Å; I693-G695 VanDerWaalsContact C-N 3.29Å; I693-G695 PolarHBondContact O-N 3Å; G695-S699 VanDerWaalsContact O-CB 3.26Å; G695-S699 WeakPolarHBondContact O-CB 3.24Å; G695-S699 PolarHBondContact O-N 3.39Å; G695-S699 PolarHBondContact O-OG 3.01Å
696V91.4Very high89.9Confident14 Ų1430.1 Ų30.19%0.08520%0.201CC..Hα-helixtrans-66.2-42178.6179.10000112.3F39 M40 L692 I693 S694 S699 G700F39-V696 HydrophobicContact CB-CB 4.32Å; F39-V696 HydrophobicContact CB-CG1 3.95Å; M40-V696 HydrophobicContact CG-CG1 4.45Å; M40-V696 HydrophobicContact CG-CG2 4.46Å; M40-V696 HydrophobicContact SD-CG1 3.94Å; M40-V696 HydrophobicContact SD-CG2 4.1Å; L692-V696 PolarHBondContact O-N 3.47Å; L692-V696 VanDerWaalsContact O-N 3.15Å; I693-V696 PolarHBondContact O-N 2.8Å; S694-V696 VanDerWaalsContact C-N 3.34Å; S694-V696 PolarHBondContact O-N 3.45Å; V696-S699 WeakPolarHBondContact CA-OG 3.3Å; V696-S699 PolarHBondContact O-OG 3.5Å; V696-G700 PolarHBondContact O-N 3.26Å
697L90.3Very high89.8Confident0 Ų034.2 Ų34.20%022%0.223CC..Hα-helixtrans-64.7-41.6-179.5-73.8172000113F39 Y637 I693 S694 I702 L703 M711 W784F39-L697 HydrophobicContact CD1-CD1 4.47Å; F39-L697 HydrophobicContact CD1-CD2 3.8Å; F39-L697 HydrophobicContact CD1-CG 4.07Å; F39-L697 HydrophobicContact CE1-CD1 4.24Å; F39-L697 HydrophobicContact CE1-CD2 3.98Å; F39-L697 HydrophobicContact CE1-CG 4.3Å; Y637-L697 HydrophobicContact CE2-CD1 4.36Å; I693-L697 HydrophobicContact CG2-CD1 3.79Å; I693-L697 HydrophobicContact CG2-CG 4.27Å; I693-L697 WeakPolarHBondContact O-CG 3.22Å; I693-L697 PolarHBondContact O-N 3Å; S694-L697 PolarHBondContact O-N 2.92Å; L697-I702 HydrophobicContact CD2-CB 4.17Å; L697-I702 HydrophobicContact CD2-CD1 4.13Å; L697-I702 HydrophobicContact CD2-CG2 4.03Å; L697-I702 PolarHBondContact O-N 2.94Å; L697-I702 VanDerWaalsContact O-N 3.12Å; L697-L703 HydrophobicContact CB-CD1 4.48Å; L697-L703 HydrophobicContact CD1-CD1 4.45Å; L697-L703 PolarHBondContact O-N 3.49Å; L697-M711 HydrophobicContact CD1-CE 3.42Å; L697-M711 VanDerWaalsContact CD1-CE 3.42Å; L697-W784 HydrophobicContact CD1-CH2 4.24Å
698Y91.6Very high89.6Confident60 Ų6038.6 Ų38.624%0.23524%0.235CC..Hα-helixtrans-77.6-39.2176.6-78.2-83.4000112.1S694 G700 G701 L703 T706 W708 M711S694-Y698 VanDerWaalsContact O-CD2 3.31Å; S694-Y698 WeakPolarHBondContact O-CD2 3.37Å; S694-Y698 PolarHBondContact O-N 3.18Å; Y698-G700 PolarHBondContact O-N 2.93Å; Y698-G701 PolarHBondContact O-N 3.24Å; Y698-L703 HydrophobicContact CD1-CB 4.2Å; Y698-L703 WeakPolarHBondContact CD1-O 3.31Å; Y698-L703 HydrophobicContact CE1-CB 3.82Å; Y698-L703 HydrophobicContact CE2-CB 4.21Å; Y698-L703 HydrophobicContact CE2-CD1 3.98Å; Y698-T706 WeakPolarHBondContact CE1-O 3.46Å; Y698-T706 PolarHBondContact OH-O 3.23Å; Y698-W708 AromaticContact CD2-CD1 3.71Å; Y698-W708 HydrophobicContact CE2-CB 4.09Å; Y698-W708 AromaticContact CE2-CD1 3.58Å; Y698-W708 HydrophobicContact CE2-CG 4.23Å; Y698-W708 WeakPolarHBondContact OH-CA 3.22Å; Y698-W708 PolarHBondContact OH-N 2.85Å; Y698-M711 HydrophobicContact CE2-CB 4.47Å; Y698-M711 HydrophobicContact CE2-CG 4.03Å
699S88Confident89.4Confident82 Ų8241.6 Ų41.657%0.57324%0.242SC*.Hα-helixtrans-66.3-23.2174.868.40000113.2G695 V696G695-S699 VanDerWaalsContact O-CB 3.26Å; G695-S699 WeakPolarHBondContact O-CB 3.24Å; G695-S699 PolarHBondContact O-N 3.39Å; G695-S699 PolarHBondContact O-OG 3.01Å; V696-S699 WeakPolarHBondContact CA-OG 3.3Å; V696-S699 PolarHBondContact O-OG 3.5Å
700G81.6Confident89.2Confident7 Ų741.7 Ų41.77%0.07224%0.243CC..THydrogen-bonded Turntrans-86.5-2.8176.300000115.4Y43 R46 V696 Y698 I702Y43-G700 VanDerWaalsContact CD2-CA 3.44Å; R46-G700 WeakPolarHBondContact CG-O 3.47Å; V696-G700 PolarHBondContact O-N 3.26Å; Y698-G700 PolarHBondContact O-N 2.93Å; G700-I702 PolarHBondContact O-N 2.83Å
701G84Confident89Confident35 Ų3541.7 Ų41.736%0.36124%0.243SC..THydrogen-bonded Turntrans60.128.4-174.200000113.3R46 Y698R46-G701 PolarHBondContact NH2-O 2.75Å; Y698-G701 PolarHBondContact O-N 3.24Å
702I86.2Confident88.9Confident7 Ų740.7 Ų40.74%0.03623%0.23CC..SBendtrans-83.7-42.6175.6-56.1-176.6000109L42 F623 K624 L627 L697 G700L42-I702 HydrophobicContact CB-CD1 4.25Å; F623-I702 HydrophobicContact CE1-CD1 4.15Å; F623-I702 HydrophobicContact CE1-CG1 4.01Å; F623-I702 HydrophobicContact CZ-CD1 4.24Å; K624-I702 WeakPolarHBondContact CE-O 3.44Å; L627-I702 HydrophobicContact CD2-CG2 3.69Å; L697-I702 HydrophobicContact CD2-CB 4.17Å; L697-I702 HydrophobicContact CD2-CD1 4.13Å; L697-I702 HydrophobicContact CD2-CG2 4.03Å; L697-I702 PolarHBondContact O-N 2.94Å; L697-I702 VanDerWaalsContact O-N 3.12Å; G700-I702 PolarHBondContact O-N 2.83Å
703L86.8Confident88.9Confident4 Ų441.6 Ų41.62%0.02123%0.231CC..SBendtrans-109.2117.4164.1-60.4-177000108.9L697 Y698 M711 W784 L787 E791L697-L703 HydrophobicContact CB-CD1 4.48Å; L697-L703 HydrophobicContact CD1-CD1 4.45Å; L697-L703 PolarHBondContact O-N 3.49Å; Y698-L703 HydrophobicContact CD1-CB 4.2Å; Y698-L703 WeakPolarHBondContact CD1-O 3.31Å; Y698-L703 HydrophobicContact CE1-CB 3.82Å; Y698-L703 HydrophobicContact CE2-CB 4.21Å; Y698-L703 HydrophobicContact CE2-CD1 3.98Å; L703-M711 HydrophobicContact CD1-CE 3.83Å; L703-M711 HydrophobicContact CD1-CG 3.96Å; L703-M711 HydrophobicContact CD1-SD 3.94Å; L703-W784 HydrophobicContact CD1-CH2 4.13Å; L703-W784 HydrophobicContact CD2-CZ3 4.31Å; L703-L787 HydrophobicContact CD2-CD2 3.6Å; L703-E791 HydrophobicContact CD2-CG 3.96Å
704G81.9Confident88.8Confident55 Ų5541.6 Ų41.657%0.56723%0.231SC*.SBendtrans-121.2-4217500000112.6E791G704-E791 PolarHBondContact N-OE1 3.13Å
705Y87.1Confident88.8Confident92 Ų9241.5 Ų41.536%0.36123%0.231SC..SBendtrans-88-34.8-176-54.2-74.2000112.6E791 Q794 G796Y705-E791 VanDerWaalsContact CD2-OE1 3.26Å; Y705-E791 WeakPolarHBondContact CD2-OE1 3.28Å; Y705-E791 PolarHBondContact N-OE1 3.33Å; Y705-E791 VanDerWaalsContact N-OE1 3.11Å; Y705-E791 PolarHBondContact N-OE2 2.91Å; Y705-Q794 HydrophobicContact CD1-CB 4.39Å; Y705-Q794 HydrophobicContact CD2-CB 4.29Å; Y705-Q794 HydrophobicContact CE1-CB 4.08Å; Y705-Q794 HydrophobicContact CE1-CG 4.36Å; Y705-Q794 HydrophobicContact CE2-CB 3.98Å; Y705-Q794 HydrophobicContact CE2-CG 3.82Å; Y705-Q794 HydrophobicContact CG-CB 4.49Å; Y705-Q794 PolarHBondContact OH-NE2 3.44Å; Y705-Q794 VanDerWaalsContact OH-NE2 3.12Å; Y705-G796 VanDerWaalsContact O-CA 3.31Å; Y705-G796 WeakPolarHBondContact O-CA 3.33Å
706T88.8Confident88.9Confident3 Ų341.5 Ų41.52%0.01822%0.221CC..SBendtrans-68134.1-179.5-57.70000112.1Y698 W708 F710 L787 E791 L797Y698-T706 WeakPolarHBondContact CE1-O 3.46Å; Y698-T706 PolarHBondContact OH-O 3.23Å; T706-W708 PolarHBondContact O-N 3.34Å; T706-F710 HydrophobicContact CG2-CD1 3.88Å; T706-F710 HydrophobicContact CG2-CE1 4.38Å; T706-L787 HydrophobicContact CG2-CD1 4.39Å; T706-L787 HydrophobicContact CG2-CD2 4.3Å; T706-L787 HydrophobicContact CG2-CG 4.35Å; T706-E791 WeakPolarHBondContact CB-OE2 3.3Å; T706-E791 PolarHBondContact N-OE2 3.25Å; T706-E791 PolarHBondContact OG1-OE2 2.99Å; T706-L797 HydrophobicContact CG2-CB 4.5Å
707N89.1Confident88.9Confident86 Ų8642 Ų4246%0.4623%0.225SC..  trans-72.8126.5-176.5-172.8-51.8000113F709 F710 M711N707-F709 VanDerWaalsContact C-N 3.25Å; N707-F709 PolarHBondContact O-N 3.3Å; N707-F709 VanDerWaalsContact O-N 3.14Å; N707-F709 WeakPolarHBondContact OD1-CB 3.28Å; N707-F709 PolarHBondContact OD1-N 3.15Å; N707-F710 HydrophobicContact CB-CB 4.39Å; N707-F710 WeakPolarHBondContact O-CB 3.31Å; N707-F710 PolarHBondContact O-N 3.06Å; N707-M711 PolarHBondContact O-N 3.22Å
708W90Very high89.1Confident127 Ų12742.1 Ų42.148%0.48123%0.225SC..Hα-helixtrans-53.8-35.5-179.3179.986.8000114.1S694 Y698 T706 M712S694-W708 PolarHBondContact OG-NE1 2.94Å; Y698-W708 AromaticContact CD2-CD1 3.71Å; Y698-W708 HydrophobicContact CE2-CB 4.09Å; Y698-W708 AromaticContact CE2-CD1 3.58Å; Y698-W708 HydrophobicContact CE2-CG 4.23Å; Y698-W708 WeakPolarHBondContact OH-CA 3.22Å; Y698-W708 PolarHBondContact OH-N 2.85Å; T706-W708 PolarHBondContact O-N 3.34Å; W708-M712 HydrophobicContact CH2-CE 4.44Å; W708-M712 HydrophobicContact CH2-CG 4.49Å; W708-M712 HydrophobicContact CZ2-CE 3.69Å; W708-M712 VanDerWaalsContact O-CB 3.27Å; W708-M712 WeakPolarHBondContact O-CB 3.38Å; W708-M712 PolarHBondContact O-N 2.93Å
709F90.6Very high89.2Confident135 Ų13539.3 Ų39.359%0.59222%0.215SC*.Hα-helixtrans-68.6-39.1177.4-178-91.2000112.2N707 F713N707-F709 VanDerWaalsContact C-N 3.25Å; N707-F709 PolarHBondContact O-N 3.3Å; N707-F709 VanDerWaalsContact O-N 3.14Å; N707-F709 WeakPolarHBondContact OD1-CB 3.28Å; N707-F709 PolarHBondContact OD1-N 3.15Å; F709-F713 VanDerWaalsContact O-CB 3.26Å; F709-F713 WeakPolarHBondContact O-CB 3.07Å; F709-F713 PolarHBondContact O-N 3.38Å
710F89.9Confident89.4Confident3 Ų339 Ų391%0.01321%0.206CC..Hα-helixtrans-65.4-47.8174.7167.7-107000110.7T706 N707 M712 F713 Y714 L787 L797 V799 L802T706-F710 HydrophobicContact CG2-CD1 3.88Å; T706-F710 HydrophobicContact CG2-CE1 4.38Å; N707-F710 HydrophobicContact CB-CB 4.39Å; N707-F710 WeakPolarHBondContact O-CB 3.31Å; N707-F710 PolarHBondContact O-N 3.06Å; F710-M712 PolarHBondContact O-N 3.03Å; F710-F713 PolarHBondContact O-N 3Å; F710-Y714 WeakPolarHBondContact O-CB 3.4Å; F710-Y714 PolarHBondContact O-N 3.48Å; F710-L787 HydrophobicContact CE1-CD1 4.23Å; F710-L797 HydrophobicContact CD1-CB 3.99Å; F710-L797 HydrophobicContact CE1-CB 3.63Å; F710-L797 HydrophobicContact CE1-CD1 4.13Å; F710-L797 HydrophobicContact CE1-CG 4.49Å; F710-L797 HydrophobicContact CZ-CB 4.27Å; F710-L797 HydrophobicContact CZ-CD1 4.49Å; F710-V799 HydrophobicContact CB-CG2 4.4Å; F710-V799 HydrophobicContact CD2-CG2 3.81Å; F710-L802 HydrophobicContact CE2-CD2 3.86Å; F710-L802 HydrophobicContact CZ-CD2 4.2Å
711M89.8Confident90Very high1 Ų138.6 Ų38.61%0.00520%0.202CC..Hα-helixtrans-56.3-46.3175.6166.654.9173.300112.6Y637 L697 Y698 L703 N707 Y714 C715 W784Y637-M711 WeakPolarHBondContact OH-CE 3.25Å; L697-M711 HydrophobicContact CD1-CE 3.42Å; L697-M711 VanDerWaalsContact CD1-CE 3.42Å; Y698-M711 HydrophobicContact CE2-CB 4.47Å; Y698-M711 HydrophobicContact CE2-CG 4.03Å; L703-M711 HydrophobicContact CD1-CE 3.83Å; L703-M711 HydrophobicContact CD1-CG 3.96Å; L703-M711 HydrophobicContact CD1-SD 3.94Å; N707-M711 PolarHBondContact O-N 3.22Å; M711-Y714 PolarHBondContact O-N 2.85Å; M711-C715 PolarHBondContact O-N 3.04Å; M711-C715 PolarHBondContact O-SG 3.27Å; M711-W784 HydrophobicContact CE-CH2 3.59Å; M711-W784 HydrophobicContact CE-CZ2 3.67Å; M711-W784 HydrophobicContact SD-CH2 3.69Å; M711-W784 HydrophobicContact SD-CZ2 3.62Å
712M91.8Very high90.5Very high24 Ų2437 Ų3712%0.11819%0.185CC..Hα-helixtrans-64.6-44.5175.5-17654.465.200111.9F690 A691 W708 F710 C715 L716F690-M712 HydrophobicContact CB-SD 4.32Å; A691-M712 HydrophobicContact CB-CE 4.38Å; W708-M712 HydrophobicContact CH2-CE 4.44Å; W708-M712 HydrophobicContact CH2-CG 4.49Å; W708-M712 HydrophobicContact CZ2-CE 3.69Å; W708-M712 VanDerWaalsContact O-CB 3.27Å; W708-M712 WeakPolarHBondContact O-CB 3.38Å; W708-M712 PolarHBondContact O-N 2.93Å; F710-M712 PolarHBondContact O-N 3.03Å; M712-C715 PolarHBondContact O-N 3.35Å; M712-L716 HydrophobicContact CG-CD1 3.86Å; M712-L716 HydrophobicContact CG-CG 4.41Å; M712-L716 WeakPolarHBondContact O-CB 3.39Å; M712-L716 WeakPolarHBondContact O-CG 3.27Å; M712-L716 PolarHBondContact O-N 3.34Å; M712-L716 HydrophobicContact SD-CD1 3.93Å; M712-L716 HydrophobicContact SD-CG 3.98Å
713F91.9Very high90.9Very high95 Ų9537.4 Ų37.442%0.41719%0.188SC..Hα-helixtrans-60.5-44.9176.4174.4-98000112.2F709 F710 L716 S717 L816F709-F713 VanDerWaalsContact O-CB 3.26Å; F709-F713 WeakPolarHBondContact O-CB 3.07Å; F709-F713 PolarHBondContact O-N 3.38Å; F710-F713 PolarHBondContact O-N 3Å; F713-L716 PolarHBondContact O-N 3.33Å; F713-S717 WeakPolarHBondContact O-CB 3.5Å; F713-S717 PolarHBondContact O-N 2.94Å; F713-S717 PolarHBondContact O-OG 3.02Å; F713-L816 HydrophobicContact CE1-CD1 4.25Å; F713-L816 HydrophobicContact CE1-CD2 4.33Å
714Y91Very high91.2Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-59.4-53.6176.6-173.4-96.7000110.9F710 M711 L716 S717 F718 F780 W784 A815 L816 F819F710-Y714 WeakPolarHBondContact O-CB 3.4Å; F710-Y714 PolarHBondContact O-N 3.48Å; M711-Y714 PolarHBondContact O-N 2.85Å; Y714-L716 VanDerWaalsContact C-N 3.34Å; Y714-L716 PolarHBondContact O-N 3.13Å; Y714-S717 PolarHBondContact O-N 3.17Å; Y714-S717 PolarHBondContact O-OG 2.84Å; Y714-F718 PolarHBondContact O-N 3.11Å; Y714-F718 VanDerWaalsContact O-N 3.1Å; Y714-F780 HydrophobicContact CD1-CE2 4.36Å; Y714-F780 AromaticContact CE1-CD2 3.72Å; Y714-F780 HydrophobicContact CE1-CD2 3.72Å; Y714-F780 AromaticContact CE1-CE2 3.89Å; Y714-F780 HydrophobicContact CE1-CE2 3.89Å; Y714-F780 PolarHBondContact OH-O 3.09Å; Y714-W784 AromaticContact CE1-CD1 3.85Å; Y714-W784 AromaticContact CE1-NE1 3.76Å; Y714-A815 HydrophobicContact CE2-CB 4.37Å; Y714-L816 HydrophobicContact CD2-CD2 3.72Å; Y714-L816 HydrophobicContact CD2-CG 4.12Å; Y714-L816 HydrophobicContact CE2-CD2 4.21Å; Y714-L816 HydrophobicContact CE2-CG 4.34Å; Y714-F819 HydrophobicContact CD2-CE2 4.17Å; Y714-F819 HydrophobicContact CE1-CE2 4.26Å; Y714-F819 HydrophobicContact CE1-CZ 4.29Å; Y714-F819 AromaticContact CE2-CE2 3.69Å; Y714-F819 HydrophobicContact CE2-CE2 3.69Å; Y714-F819 HydrophobicContact CE2-CZ 4.11Å; Y714-F819 AromaticContact CZ-CE2 3.74Å; Y714-F819 AromaticContact CZ-CZ 3.74Å
715C92.1Very high91.7Very high2 Ų235.5 Ų35.51%0.01417%0.165CC..Hα-helixtrans-58.2-41.8177.1-690000113Y637 F690 M711 M712 G719Y637-C715 PolarHBondContact OH-SG 3.02Å; Y637-C715 VanDerWaalsContact OH-SG 3.4Å; F690-C715 HydrophobicContact CB-CB 4.21Å; F690-C715 HydrophobicContact CD1-CB 3.89Å; F690-C715 HydrophobicContact CD2-CB 4.06Å; F690-C715 HydrophobicContact CE1-CB 4.23Å; F690-C715 HydrophobicContact CE2-CB 4.38Å; F690-C715 WeakPolarHBondContact CE2-O 3.38Å; F690-C715 HydrophobicContact CG-CB 3.81Å; F690-C715 HydrophobicContact CZ-CB 4.46Å; F690-C715 WeakPolarHBondContact CZ-O 3.26Å; M711-C715 PolarHBondContact O-N 3.04Å; M711-C715 PolarHBondContact O-SG 3.27Å; M712-C715 PolarHBondContact O-N 3.35Å; C715-G719 PolarHBondContact O-N 2.99Å
716L93Very high92.1Very high40 Ų4031.2 Ų31.221%0.20915%0.148CC..Hα-helixtrans-67.8-35.7178.3-71.7172.1000112.8F683 C687 F690 M712 F713 Y714 G719 L720F683-L716 HydrophobicContact CE2-CD2 4.04Å; F683-L716 HydrophobicContact CZ-CD2 4.13Å; C687-L716 HydrophobicContact CB-CD2 4.44Å; C687-L716 WeakPolarHBondContact SG-CD2 3.37Å; F690-L716 HydrophobicContact CD2-CD2 4.2Å; M712-L716 HydrophobicContact CG-CD1 3.86Å; M712-L716 HydrophobicContact CG-CG 4.41Å; M712-L716 WeakPolarHBondContact O-CB 3.39Å; M712-L716 WeakPolarHBondContact O-CG 3.27Å; M712-L716 PolarHBondContact O-N 3.34Å; M712-L716 HydrophobicContact SD-CD1 3.93Å; M712-L716 HydrophobicContact SD-CG 3.98Å; F713-L716 PolarHBondContact O-N 3.33Å; Y714-L716 VanDerWaalsContact C-N 3.34Å; Y714-L716 PolarHBondContact O-N 3.13Å; L716-G719 PolarHBondContact O-N 2.97Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.39Å
717S92.5Very high92.2Very high24 Ų2431.7 Ų31.717%0.16815%0.149CC..Hα-helixtrans-66.2-44.717671.40000112F713 Y714 G719 L720 C721 L816 F819F713-S717 WeakPolarHBondContact O-CB 3.5Å; F713-S717 PolarHBondContact O-N 2.94Å; F713-S717 PolarHBondContact O-OG 3.02Å; Y714-S717 PolarHBondContact O-N 3.17Å; Y714-S717 PolarHBondContact O-OG 2.84Å; S717-G719 VanDerWaalsContact C-N 3.32Å; S717-G719 PolarHBondContact O-N 3.07Å; S717-L720 PolarHBondContact O-N 3.17Å; S717-C721 PolarHBondContact O-N 2.86Å; S717-L816 WeakPolarHBondContact OG-CD2 3.36Å; S717-F819 WeakPolarHBondContact OG-CD2 3.42Å
718F93.4Very high92.4Very high2 Ų228.8 Ų28.81%0.00913%0.133CC..Hα-helixtrans-58.9-42.2169172-103.5000111.7L641 F690 Y714 L720 C721 L722 F776 T777 F780 F819L641-F718 HydrophobicContact CD1-CE1 3.73Å; F690-F718 HydrophobicContact CZ-CD1 4.25Å; Y714-F718 PolarHBondContact O-N 3.11Å; Y714-F718 VanDerWaalsContact O-N 3.1Å; F718-L720 VanDerWaalsContact C-N 3.34Å; F718-L720 PolarHBondContact O-N 2.99Å; F718-C721 WeakPolarHBondContact O-CB 3.36Å; F718-C721 PolarHBondContact O-N 2.89Å; F718-C721 VanDerWaalsContact O-N 3.14Å; F718-L722 WeakPolarHBondContact O-CB 3.24Å; F718-L722 PolarHBondContact O-N 2.83Å; F718-F776 AromaticContact CD2-CD2 3.85Å; F718-F776 HydrophobicContact CD2-CD2 3.85Å; F718-F776 HydrophobicContact CD2-CE2 4.29Å; F718-F776 AromaticContact CE2-CD2 3.4Å; F718-F776 HydrophobicContact CE2-CD2 3.4Å; F718-F776 AromaticContact CE2-CE2 3.55Å; F718-F776 HydrophobicContact CE2-CE2 3.55Å; F718-F776 HydrophobicContact CE2-CG 4.49Å; F718-F776 HydrophobicContact CZ-CD2 4.22Å; F718-F776 AromaticContact CZ-CE2 3.9Å; F718-F776 HydrophobicContact CZ-CE2 3.9Å; F718-T777 HydrophobicContact CE2-CG2 4.29Å; F718-T777 HydrophobicContact CZ-CG2 4.35Å; F718-F780 HydrophobicContact CB-CD2 3.79Å; F718-F780 HydrophobicContact CB-CE2 4.03Å; F718-F780 AromaticContact CD1-CD2 3.85Å; F718-F780 HydrophobicContact CD1-CD2 3.85Å; F718-F780 AromaticContact CD1-CE2 3.66Å; F718-F780 HydrophobicContact CD1-CE2 3.66Å; F718-F780 HydrophobicContact CD1-CZ 4.22Å; F718-F780 HydrophobicContact CD2-CB 3.71Å; F718-F780 AromaticContact CD2-CD2 3.39Å; F718-F780 HydrophobicContact CD2-CD2 3.39Å; F718-F780 HydrophobicContact CD2-CE2 4.09Å; F718-F780 AromaticContact CD2-CG 3.67Å; F718-F780 HydrophobicContact CD2-CG 3.67Å; F718-F780 HydrophobicContact CE1-CD2 4.25Å; F718-F780 HydrophobicContact CE1-CE2 4.08Å; F718-F780 HydrophobicContact CE1-CZ 4.23Å; F718-F780 HydrophobicContact CE2-CB 3.68Å; F718-F780 HydrophobicContact CE2-CD1 4.23Å; F718-F780 AromaticContact CE2-CD2 3.83Å; F718-F780 HydrophobicContact CE2-CD2 3.83Å; F718-F780 HydrophobicContact CE2-CE2 4.47Å; F718-F780 AromaticContact CE2-CG 3.67Å; F718-F780 HydrophobicContact CE2-CG 3.67Å; F718-F780 AromaticContact CG-CD2 3.39Å; F718-F780 HydrophobicContact CG-CD2 3.39Å; F718-F780 AromaticContact CG-CE2 3.66Å; F718-F780 HydrophobicContact CG-CE2 3.66Å; F718-F780 HydrophobicContact CG-CG 4.12Å; F718-F780 HydrophobicContact CZ-CD1 4.29Å; F718-F780 HydrophobicContact CZ-CD2 4.24Å; F718-F780 HydrophobicContact CZ-CE2 4.47Å; F718-F780 HydrophobicContact CZ-CG 4.13Å; F718-F819 HydrophobicContact CB-CD2 4.28Å; F718-F819 HydrophobicContact CB-CE2 3.94Å; F718-F819 HydrophobicContact CB-CZ 4.11Å; F718-F819 HydrophobicContact CD2-CE1 4.03Å; F718-F819 HydrophobicContact CD2-CZ 4.17Å
719G93Very high92.5Very high1 Ų122.7 Ų22.71%0.0111%0.11CC..Hα-helixtrans-60.3-36.7176.500000114.4L686 C715 L716 S717 L722 I723L686-G719 WeakPolarHBondContact CD1-O 3.27Å; C715-G719 PolarHBondContact O-N 2.99Å; L716-G719 PolarHBondContact O-N 2.97Å; S717-G719 VanDerWaalsContact C-N 3.32Å; S717-G719 PolarHBondContact O-N 3.07Å; G719-L722 PolarHBondContact O-N 3.43Å; G719-I723 WeakPolarHBondContact O-CG1 3.5Å; G719-I723 PolarHBondContact O-N 2.9Å
720L93.4Very high92.4Very high75 Ų7516.3 Ų16.339%0.3938%0.082SC..Hα-helixtrans-66.9-42.2173-71.2169.9000111.5F683 L716 S717 F718 I723 S724 L823F683-L720 HydrophobicContact CD2-CD2 3.68Å; F683-L720 HydrophobicContact CD2-CG 4.29Å; F683-L720 HydrophobicContact CE2-CD2 3.76Å; F683-L720 HydrophobicContact CE2-CG 4.01Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 3.39Å; S717-L720 PolarHBondContact O-N 3.17Å; F718-L720 VanDerWaalsContact C-N 3.34Å; F718-L720 PolarHBondContact O-N 2.99Å; L720-I723 PolarHBondContact O-N 3.42Å; L720-S724 PolarHBondContact O-N 3.31Å; L720-S724 VanDerWaalsContact O-N 3.15Å; L720-L823 HydrophobicContact CB-CD2 4.38Å
721C94.2Very high92.3Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-60.6-44.2172.6-173.10000111.6S717 F718 I723 S724 F725 F776 D822 L823S717-C721 PolarHBondContact O-N 2.86Å; F718-C721 WeakPolarHBondContact O-CB 3.36Å; F718-C721 PolarHBondContact O-N 2.89Å; F718-C721 VanDerWaalsContact O-N 3.14Å; C721-I723 VanDerWaalsContact C-N 3.32Å; C721-I723 PolarHBondContact O-N 3.32Å; C721-S724 CarbonylContact O-C 3.49Å; C721-S724 WeakPolarHBondContact O-CA 3.35Å; C721-S724 WeakPolarHBondContact O-CB 3.08Å; C721-S724 PolarHBondContact O-N 2.96Å; C721-F725 PolarHBondContact O-N 3.01Å; C721-F776 HydrophobicContact CB-CD2 4.37Å; C721-F776 VanDerWaalsContact SG-CB 3.6Å; C721-D822 WeakPolarHBondContact SG-CB 3.34Å; C721-L823 HydrophobicContact CB-CB 4.46Å
722L94.1Very high92.1Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-60.1-36.8177-173.564.5000113L641 F644 V645 L686 F718 G719 S724 F725 C726 F747 F776L641-L722 HydrophobicContact CD1-CD2 4.24Å; F644-L722 HydrophobicContact CD1-CD2 3.94Å; F644-L722 HydrophobicContact CE1-CD2 3.98Å; F644-L722 HydrophobicContact CE1-CG 4.29Å; V645-L722 HydrophobicContact CG2-CD1 3.75Å; V645-L722 HydrophobicContact CG2-CD2 4.31Å; V645-L722 HydrophobicContact CG2-CG 4.28Å; L686-L722 HydrophobicContact CD1-CD2 4.44Å; L686-L722 HydrophobicContact CD2-CD2 4.3Å; F718-L722 WeakPolarHBondContact O-CB 3.24Å; F718-L722 PolarHBondContact O-N 2.83Å; G719-L722 PolarHBondContact O-N 3.43Å; L722-S724 VanDerWaalsContact C-N 3.32Å; L722-F725 HydrophobicContact CD1-CD1 4.41Å; L722-F725 PolarHBondContact O-N 3.29Å; L722-C726 WeakPolarHBondContact O-CB 3.3Å; L722-C726 PolarHBondContact O-N 3.26Å; L722-C726 PolarHBondContact O-SG 3.35Å; L722-F747 HydrophobicContact CD1-CD2 4.02Å; L722-F747 HydrophobicContact CD1-CE2 3.57Å; L722-F747 HydrophobicContact CD1-CZ 4.13Å; L722-F776 HydrophobicContact CB-CE2 4.18Å; L722-F776 HydrophobicContact CD1-CE2 3.71Å; L722-F776 HydrophobicContact CD1-CZ 3.72Å
723I94Very high91.7Very high16 Ų1621.1 Ų21.18%0.08210%0.103CC..Hα-helixtrans-66-36171.8-69165.9000110.9F644 W678 A679 F683 L686 G719 L720 C721 C726 Y727F644-I723 HydrophobicContact CZ-CG1 4.41Å; W678-I723 HydrophobicContact CH2-CG2 4.05Å; W678-I723 HydrophobicContact CZ3-CG2 3.85Å; A679-I723 HydrophobicContact CB-CG2 4.25Å; F683-I723 HydrophobicContact CB-CD1 3.78Å; F683-I723 HydrophobicContact CD2-CD1 4.25Å; L686-I723 HydrophobicContact CD1-CD1 4.03Å; L686-I723 HydrophobicContact CD1-CG1 3.98Å; G719-I723 WeakPolarHBondContact O-CG1 3.5Å; G719-I723 PolarHBondContact O-N 2.9Å; L720-I723 PolarHBondContact O-N 3.42Å; C721-I723 VanDerWaalsContact C-N 3.32Å; C721-I723 PolarHBondContact O-N 3.32Å; I723-C726 PolarHBondContact O-N 3.36Å; I723-Y727 PolarHBondContact O-N 2.92Å
724S93.3Very high91.1Very high7 Ų721.6 Ų21.65%0.04911%0.11CC..Hα-helixtrans-67-44.6175-150.20000112.2L720 C721 L722 C726 Y727 M728 L823 A827L720-S724 PolarHBondContact O-N 3.31Å; L720-S724 VanDerWaalsContact O-N 3.15Å; C721-S724 CarbonylContact O-C 3.49Å; C721-S724 WeakPolarHBondContact O-CA 3.35Å; C721-S724 WeakPolarHBondContact O-CB 3.08Å; C721-S724 PolarHBondContact O-N 2.96Å; L722-S724 VanDerWaalsContact C-N 3.32Å; S724-C726 PolarHBondContact O-N 3.37Å; S724-Y727 WeakPolarHBondContact O-CB 3.49Å; S724-Y727 PolarHBondContact O-N 3.44Å; S724-Y727 VanDerWaalsContact O-N 3.13Å; S724-M728 PolarHBondContact O-N 3.08Å; S724-L823 PolarHBondContact OG-O 3.46Å; S724-A827 WeakPolarHBondContact OG-CB 3.48Å; S724-A827 PolarHBondContact OG-N 2.9Å
725F93.7Very high90.6Very high13 Ų1323 Ų236%0.05712%0.12CC..Hα-helixtrans-58-45.9171.4176.6-98.8000111.8C721 L722 Y727 M728 C729 L746 F747 F776 Y826C721-F725 PolarHBondContact O-N 3.01Å; L722-F725 HydrophobicContact CD1-CD1 4.41Å; L722-F725 PolarHBondContact O-N 3.29Å; F725-Y727 VanDerWaalsContact C-N 3.34Å; F725-Y727 PolarHBondContact O-N 2.86Å; F725-M728 HydrophobicContact CD2-CE 3.9Å; F725-M728 HydrophobicContact CE2-CE 4.13Å; F725-M728 WeakPolarHBondContact O-CB 3.41Å; F725-M728 PolarHBondContact O-N 2.92Å; F725-C729 PolarHBondContact O-N 3.4Å; F725-C729 PolarHBondContact O-SG 2.98Å; F725-L746 HydrophobicContact CZ-CB 4.06Å; F725-F747 HydrophobicContact CE1-CB 4.21Å; F725-F747 HydrophobicContact CE1-CD2 4.46Å; F725-F776 HydrophobicContact CB-CE1 4.22Å; F725-F776 HydrophobicContact CB-CZ 4.13Å; F725-F776 HydrophobicContact CD1-CE1 4.39Å; F725-F776 HydrophobicContact CD1-CZ 4.17Å; F725-F776 AromaticContact CD2-CE1 3.76Å; F725-F776 HydrophobicContact CD2-CE1 3.76Å; F725-F776 HydrophobicContact CD2-CZ 4.31Å; F725-F776 HydrophobicContact CE2-CE1 4.19Å; F725-F776 AromaticContact CG-CE1 3.87Å; F725-F776 HydrophobicContact CG-CE1 3.87Å; F725-F776 AromaticContact CG-CZ 3.95Å; F725-F776 HydrophobicContact CG-CZ 3.95Å; F725-Y826 HydrophobicContact CB-CD2 3.72Å; F725-Y826 HydrophobicContact CB-CE2 4.09Å; F725-Y826 HydrophobicContact CD2-CD2 4.3Å; F725-Y826 HydrophobicContact CD2-CE2 4.16Å
726C94Very high90.2Very high1 Ų123 Ų231%0.00712%0.12CC..Hα-helixtrans-60.4-41.6173.5-71.10000111.7V649 W678 L722 I723 S724 C729 T730V649-C726 HydrophobicContact CG2-CB 3.97Å; W678-C726 HydrophobicContact CH2-CB 4.07Å; W678-C726 HydrophobicContact CZ2-CB 4.1Å; L722-C726 WeakPolarHBondContact O-CB 3.3Å; L722-C726 PolarHBondContact O-N 3.26Å; L722-C726 PolarHBondContact O-SG 3.35Å; I723-C726 PolarHBondContact O-N 3.36Å; S724-C726 PolarHBondContact O-N 3.37Å; C726-C729 PolarHBondContact O-N 2.92Å; C726-T730 WeakPolarHBondContact O-CG2 3.1Å; C726-T730 PolarHBondContact O-N 3.1Å; C726-T730 PolarHBondContact O-OG1 3.43Å
727Y92.5Very high89.6Confident14 Ų1424.8 Ų24.86%0.05513%0.13CC..Hα-helixtrans-60.3-50.8174.9170.8-147.7000110.7I723 S724 F725 C729 T730 N731 L831 Q834I723-Y727 PolarHBondContact O-N 2.92Å; S724-Y727 WeakPolarHBondContact O-CB 3.49Å; S724-Y727 PolarHBondContact O-N 3.44Å; S724-Y727 VanDerWaalsContact O-N 3.13Å; F725-Y727 VanDerWaalsContact C-N 3.34Å; F725-Y727 PolarHBondContact O-N 2.86Å; Y727-C729 VanDerWaalsContact C-N 3.35Å; Y727-C729 PolarHBondContact O-N 3.09Å; Y727-T730 PolarHBondContact O-N 3.43Å; Y727-T730 VanDerWaalsContact O-N 3.13Å; Y727-T730 PolarHBondContact O-OG1 2.85Å; Y727-N731 VanDerWaalsContact CD2-ND2 3.25Å; Y727-N731 WeakPolarHBondContact CD2-ND2 3.42Å; Y727-N731 WeakPolarHBondContact CE2-ND2 3.5Å; Y727-N731 PolarHBondContact O-N 2.81Å; Y727-N731 PolarHBondContact O-ND2 2.82Å; Y727-L831 HydrophobicContact CE1-CG 4.16Å; Y727-L831 VanDerWaalsContact OH-CD2 3.31Å; Y727-L831 WeakPolarHBondContact OH-CD2 3.18Å; Y727-Q834 PolarHBondContact OH-OE1 3.36Å
728M92.1Very high89Confident24 Ų2427.4 Ų27.412%0.11814%0.141CC..Hα-helixtrans-49.4-55.3175.8-177.3179.667.400111.2S724 F725 T730 N731 F732 Y826 I829S724-M728 PolarHBondContact O-N 3.08Å; F725-M728 HydrophobicContact CD2-CE 3.9Å; F725-M728 HydrophobicContact CE2-CE 4.13Å; F725-M728 WeakPolarHBondContact O-CB 3.41Å; F725-M728 PolarHBondContact O-N 2.92Å; M728-T730 PolarHBondContact O-N 3.07Å; M728-N731 PolarHBondContact O-N 2.82Å; M728-N731 VanDerWaalsContact O-N 3.14Å; M728-F732 HydrophobicContact CG-CE2 3.66Å; M728-F732 HydrophobicContact CG-CZ 3.61Å; M728-F732 HydrophobicContact SD-CE2 4.25Å; M728-F732 HydrophobicContact SD-CZ 4.18Å; M728-Y826 HydrophobicContact CE-CD1 4.16Å; M728-Y826 HydrophobicContact CE-CG 4.42Å; M728-Y826 HydrophobicContact SD-CD1 4.07Å; M728-Y826 HydrophobicContact SD-CG 4.43Å; M728-I829 HydrophobicContact CG-CB 4.4Å; M728-I829 HydrophobicContact CG-CG2 3.9Å; M728-I829 HydrophobicContact SD-CB 4.03Å; M728-I829 HydrophobicContact SD-CD1 4.17Å; M728-I829 HydrophobicContact SD-CG2 3.68Å
729C91.5Very high88.5Confident0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-55.5-43.9178.4-67.20000113.1V649 F725 C726 Y727 N731 F732 F733V649-C729 HydrophobicContact CG2-CB 4.31Å; F725-C729 PolarHBondContact O-N 3.4Å; F725-C729 PolarHBondContact O-SG 2.98Å; C726-C729 PolarHBondContact O-N 2.92Å; Y727-C729 VanDerWaalsContact C-N 3.35Å; Y727-C729 PolarHBondContact O-N 3.09Å; C729-N731 PolarHBondContact O-N 2.62Å; C729-N731 VanDerWaalsContact O-N 3.09Å; C729-F732 PolarHBondContact O-N 3.15Å; C729-F733 VanDerWaalsContact O-CD2 3.3Å; C729-F733 WeakPolarHBondContact O-CD2 3.39Å
730T90.5Very high88.2Confident0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-64-14.3-178.962.10000114.9V649 R652 I653 R656 C726 Y727 M728V649-T730 HydrophobicContact CB-CG2 4.09Å; V649-T730 HydrophobicContact CG1-CG2 3.94Å; V649-T730 HydrophobicContact CG2-CG2 4.07Å; R652-T730 HydrophobicContact CB-CG2 3.9Å; R652-T730 HydrophobicContact CG-CG2 4.07Å; I653-T730 HydrophobicContact CG1-CG2 4.29Å; R656-T730 PolarHBondContact NH1-O 3.05Å; C726-T730 WeakPolarHBondContact O-CG2 3.1Å; C726-T730 PolarHBondContact O-N 3.1Å; C726-T730 PolarHBondContact O-OG1 3.43Å; Y727-T730 PolarHBondContact O-N 3.43Å; Y727-T730 VanDerWaalsContact O-N 3.13Å; Y727-T730 PolarHBondContact O-OG1 2.85Å; M728-T730 PolarHBondContact O-N 3.07Å
731N86.3Confident87.5Confident11 Ų1126.7 Ų26.76%0.05914%0.141CC..Hα-helixtrans-86.9-39.4176.9-61.9-64000112.5Y727 M728 C729 G830 Y833 K837Y727-N731 VanDerWaalsContact CD2-ND2 3.25Å; Y727-N731 WeakPolarHBondContact CD2-ND2 3.42Å; Y727-N731 WeakPolarHBondContact CE2-ND2 3.5Å; Y727-N731 PolarHBondContact O-N 2.81Å; Y727-N731 PolarHBondContact O-ND2 2.82Å; M728-N731 PolarHBondContact O-N 2.82Å; M728-N731 VanDerWaalsContact O-N 3.14Å; C729-N731 PolarHBondContact O-N 2.62Å; C729-N731 VanDerWaalsContact O-N 3.09Å; N731-G830 WeakPolarHBondContact ND2-CA 3.48Å; N731-Y833 HydrophobicContact CB-CD1 3.85Å; N731-Y833 HydrophobicContact CB-CE1 4.36Å; N731-Y833 VanDerWaalsContact O-CE1 3.32Å; N731-Y833 WeakPolarHBondContact O-CE1 3.48Å; N731-K837 PolarHBondContact O-NZ 2.99Å
732F85.9Confident86.9Confident71 Ų7127.7 Ų27.731%0.31115%0.149SC..Hα-helixtrans-61.3-54.3-177.8-60-32000110.9M728 C729 I829 Y833 K837M728-F732 HydrophobicContact CG-CE2 3.66Å; M728-F732 HydrophobicContact CG-CZ 3.61Å; M728-F732 HydrophobicContact SD-CE2 4.25Å; M728-F732 HydrophobicContact SD-CZ 4.18Å; C729-F732 PolarHBondContact O-N 3.15Å; F732-I829 HydrophobicContact CZ-CG2 4.06Å; F732-Y833 AromaticContact CD1-CD1 3.84Å; F732-Y833 HydrophobicContact CD1-CD1 3.84Å; F732-Y833 AromaticContact CD1-CD2 3.72Å; F732-Y833 HydrophobicContact CD1-CD2 3.72Å; F732-Y833 AromaticContact CD1-CE1 3.86Å; F732-Y833 HydrophobicContact CD1-CE1 3.86Å; F732-Y833 AromaticContact CD1-CE2 3.75Å; F732-Y833 HydrophobicContact CD1-CE2 3.75Å; F732-Y833 AromaticContact CD1-CG 3.76Å; F732-Y833 HydrophobicContact CD1-CG 3.76Å; F732-Y833 AromaticContact CD1-CZ 3.81Å; F732-Y833 HydrophobicContact CE1-CD1 4.25Å; F732-Y833 AromaticContact CE1-CD2 3.68Å; F732-Y833 HydrophobicContact CE1-CD2 3.68Å; F732-Y833 HydrophobicContact CE1-CE2 4.14Å; F732-Y833 AromaticContact CE1-CG 3.73Å; F732-Y833 HydrophobicContact CE1-CG 3.73Å; F732-K837 PolarHBondContact O-NZ 2.87Å; F732-K837 VanDerWaalsContact O-NZ 3.07Å
733F83.7Confident86.6Confident48 Ų4827.7 Ų27.721%0.21115%0.149CC..  trans-76.2153.5-177.3-56-68.5000113.1I653 R656 C729 A742 L746I653-F733 HydrophobicContact CD1-CB 3.83Å; R656-F733 PolarHBondContact NH1-O 2.88Å; C729-F733 VanDerWaalsContact O-CD2 3.3Å; C729-F733 WeakPolarHBondContact O-CD2 3.39Å; F733-A742 HydrophobicContact CE1-CB 3.71Å; F733-A742 HydrophobicContact CE2-CB 3.91Å; F733-A742 HydrophobicContact CZ-CB 3.36Å; F733-L746 HydrophobicContact CE2-CD1 4.39Å; F733-L746 HydrophobicContact CZ-CD1 4.3Å
734N79.3Confident86.2Confident104 Ų10427.6 Ų27.656%0.55615%0.151SC*.SBendtrans-113.6-20.4178.4-70-11.2000113.5K837N734-K837 PolarHBondContact OD1-NZ 3.23Å
735S80.1Confident85.6Confident31 Ų3131.4 Ų31.422%0.21717%0.17CC..SBendtrans-120.5136.2-179.2-176.60000111.5I653 E657 G739I653-S735 VanDerWaalsContact CG2-C 3.43Å; E657-S735 VanDerWaalsContact OE1-CA 3.27Å; E657-S735 WeakPolarHBondContact OE1-CA 3.38Å; E657-S735 WeakPolarHBondContact OE1-CB 3.31Å; E657-S735 PolarHBondContact OE1-OG 3.05Å; S735-G739 PolarHBondContact O-N 3.04Å
736A83.1Confident85.2Confident2 Ų234 Ų342%0.01719%0.185CC..Hα-helixtrans-68.2-40.9-165.400000113.6R650 I653 W654 E657 A740R650-A736 HydrophobicContact CG-CB 3.97Å; I653-A736 HydrophobicContact CB-CB 4.24Å; I653-A736 HydrophobicContact CG2-CB 4.23Å; W654-A736 HydrophobicContact CB-CB 3.84Å; E657-A736 WeakPolarHBondContact OE2-CB 3.46Å; E657-A736 PolarHBondContact OE2-N 3.14Å; A736-A740 WeakPolarHBondContact O-CB 3.5Å; A736-A740 PolarHBondContact O-N 3.4Å
737N80.7Confident85Confident77 Ų7734 Ų3441%0.41218%0.184SC..Hα-helixtrans-69.3-45.6-178-67.3-9.5000111.4A740 V741N737-A740 PolarHBondContact O-N 3Å; N737-V741 WeakPolarHBondContact O-CG2 3.41Å; N737-V741 PolarHBondContact O-N 2.92Å
738I79.5Confident84.5Confident78 Ų7837.2 Ų37.240%0.420%0.199SC..Hα-helixtrans-62.9-46.2176.3-58.7176.4000110A740 V741 A742I738-A740 VanDerWaalsContact C-N 3.35Å; I738-A740 PolarHBondContact O-N 3.33Å; I738-V741 PolarHBondContact O-N 2.85Å; I738-A742 VanDerWaalsContact O-CB 3.25Å; I738-A742 WeakPolarHBondContact O-CB 3.47Å; I738-A742 PolarHBondContact O-N 2.93Å
739G84.6Confident84Confident0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-63.3-37.4-178.600000113.6S735 S743S735-G739 PolarHBondContact O-N 3.04Å; G739-S743 VanDerWaalsContact O-CB 3.26Å; G739-S743 WeakPolarHBondContact O-CB 3.33Å; G739-S743 PolarHBondContact O-N 2.99Å; G739-S743 PolarHBondContact O-OG 2.82Å; G739-S743 VanDerWaalsContact O-OG 3.04Å
740A85Confident83.7Confident10 Ų1041 Ų418%0.08322%0.219CC..Hα-helixtrans-61.3-53.917600000111.8A646 R650 A736 N737 I738 S743 A744A646-A740 HydrophobicContact CB-CB 4.37Å; A646-A740 WeakPolarHBondContact O-CB 3.11Å; R650-A740 HydrophobicContact CB-CB 3.93Å; R650-A740 HydrophobicContact CG-CB 4.3Å; A736-A740 WeakPolarHBondContact O-CB 3.5Å; A736-A740 PolarHBondContact O-N 3.4Å; N737-A740 PolarHBondContact O-N 3Å; I738-A740 VanDerWaalsContact C-N 3.35Å; I738-A740 PolarHBondContact O-N 3.33Å; A740-S743 PolarHBondContact O-N 3.33Å; A740-S743 PolarHBondContact O-OG 3.27Å; A740-A744 PolarHBondContact O-N 3.14Å
741V79.2Confident83.3Confident53 Ų5341.8 Ų41.832%0.32122%0.223SC..Hα-helixtrans-63.3-45.6-179.3178.40000110.8N737 I738 S743 A744 L745 V1499N737-V741 WeakPolarHBondContact O-CG2 3.41Å; N737-V741 PolarHBondContact O-N 2.92Å; I738-V741 PolarHBondContact O-N 2.85Å; V741-S743 VanDerWaalsContact C-N 3.34Å; V741-S743 PolarHBondContact O-N 3.28Å; V741-A744 PolarHBondContact O-N 2.66Å; V741-L745 HydrophobicContact CG1-CD1 4.25Å; V741-L745 WeakPolarHBondContact O-CG 3.5Å; V741-L745 PolarHBondContact O-N 3.37Å; V741-V1499 HydrophobicContact CG1-CG1 3.95Å; V741-V1499 HydrophobicContact CG1-CG2 4.16Å; V741-V1499 HydrophobicContact CG2-CG1 3.95Å; V741-V1499 HydrophobicContact CG2-CG2 4.27Å
742A82.2Confident82.5Confident22 Ų2244 Ų4418%0.18224%0.239CC..Hα-helixtrans-64.2-36.7177.600000112.5F733 I738 L745 L746F733-A742 HydrophobicContact CE1-CB 3.71Å; F733-A742 HydrophobicContact CE2-CB 3.91Å; F733-A742 HydrophobicContact CZ-CB 3.36Å; I738-A742 VanDerWaalsContact O-CB 3.25Å; I738-A742 WeakPolarHBondContact O-CB 3.47Å; I738-A742 PolarHBondContact O-N 2.93Å; A742-L745 PolarHBondContact O-N 3.09Å; A742-L746 WeakPolarHBondContact O-CB 3.49Å; A742-L746 VanDerWaalsContact O-CG 3.25Å; A742-L746 WeakPolarHBondContact O-CG 3.16Å; A742-L746 PolarHBondContact O-N 2.97Å
743S88.1Confident82.2Confident0 Ų042.9 Ų42.90%024%0.239CC..Hα-helixtrans-68.6-34175.3650000113.5G739 A740 V741 F747G739-S743 VanDerWaalsContact O-CB 3.26Å; G739-S743 WeakPolarHBondContact O-CB 3.33Å; G739-S743 PolarHBondContact O-N 2.99Å; G739-S743 PolarHBondContact O-OG 2.82Å; G739-S743 VanDerWaalsContact O-OG 3.04Å; A740-S743 PolarHBondContact O-N 3.33Å; A740-S743 PolarHBondContact O-OG 3.27Å; V741-S743 VanDerWaalsContact C-N 3.34Å; V741-S743 PolarHBondContact O-N 3.28Å; S743-F747 WeakPolarHBondContact O-CB 3.43Å; S743-F747 PolarHBondContact O-N 3.13Å
744A85.5Confident82Confident14 Ų1441.1 Ų41.112%0.11623%0.231CC..Hα-helixtrans-65.9-45.7172.200000111.4V642 A740 V741 F747 F748V642-A744 HydrophobicContact CG1-CB 4.08Å; A740-A744 PolarHBondContact O-N 3.14Å; V741-A744 PolarHBondContact O-N 2.66Å; A744-F747 WeakPolarHBondContact O-CB 3.39Å; A744-F747 PolarHBondContact O-N 3.06Å; A744-F748 VanDerWaalsContact O-CD2 3.24Å; A744-F748 WeakPolarHBondContact O-CD2 3.38Å; A744-F748 PolarHBondContact O-N 3.32Å
745L80.2Confident81.7Confident86 Ų8640.1 Ų40.145%0.4523%0.225SC..Hα-helixtrans-63.5-41.3176.2-68.4172000112.3V741 A742 F747 F748 I749V741-L745 HydrophobicContact CG1-CD1 4.25Å; V741-L745 WeakPolarHBondContact O-CG 3.5Å; V741-L745 PolarHBondContact O-N 3.37Å; A742-L745 PolarHBondContact O-N 3.09Å; L745-F747 VanDerWaalsContact C-N 3.28Å; L745-F747 PolarHBondContact O-N 2.92Å; L745-F748 PolarHBondContact O-N 3.46Å; L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.26Å; L745-I749 PolarHBondContact O-N 3.44Å
746L86Confident81Confident69 Ų6942 Ų4236%0.36123%0.232SC..Hα-helixtrans-63.8-33.1174.3-73.1168.3000112.5F725 F733 A742 I749 S750F725-L746 HydrophobicContact CZ-CB 4.06Å; F733-L746 HydrophobicContact CE2-CD1 4.39Å; F733-L746 HydrophobicContact CZ-CD1 4.3Å; A742-L746 WeakPolarHBondContact O-CB 3.49Å; A742-L746 VanDerWaalsContact O-CG 3.25Å; A742-L746 WeakPolarHBondContact O-CG 3.16Å; A742-L746 PolarHBondContact O-N 2.97Å; L746-I749 PolarHBondContact O-N 3.37Å; L746-S750 PolarHBondContact O-N 3.33Å
747F89Confident80.5Confident1 Ų142.2 Ų42.20%0.00423%0.233CC..Hα-helixtrans-68.1-41.2174-174.9-125.8000111.5L638 L641 V642 V645 L722 F725 S743 A744 L745 S750 F776 T777L638-F747 HydrophobicContact CD1-CD1 3.93Å; L638-F747 HydrophobicContact CD1-CD2 4.32Å; L638-F747 HydrophobicContact CD1-CE1 3.6Å; L638-F747 HydrophobicContact CD1-CE2 4.01Å; L638-F747 HydrophobicContact CD1-CG 4.28Å; L638-F747 HydrophobicContact CD1-CZ 3.65Å; L638-F747 HydrophobicContact CG-CD1 4.35Å; L638-F747 HydrophobicContact CG-CE1 4.02Å; L638-F747 HydrophobicContact CG-CZ 4.47Å; L641-F747 HydrophobicContact CB-CE1 4.02Å; L641-F747 HydrophobicContact CB-CZ 4.12Å; V642-F747 HydrophobicContact CG2-CD1 3.87Å; V642-F747 HydrophobicContact CG2-CE1 4.2Å; V645-F747 HydrophobicContact CG1-CB 4.45Å; V645-F747 HydrophobicContact CG2-CD1 4.07Å; V645-F747 HydrophobicContact CG2-CD2 4.46Å; V645-F747 HydrophobicContact CG2-CE1 4.23Å; V645-F747 HydrophobicContact CG2-CG 4.18Å; L722-F747 HydrophobicContact CD1-CD2 4.02Å; L722-F747 HydrophobicContact CD1-CE2 3.57Å; L722-F747 HydrophobicContact CD1-CZ 4.13Å; F725-F747 HydrophobicContact CE1-CB 4.21Å; F725-F747 HydrophobicContact CE1-CD2 4.46Å; S743-F747 WeakPolarHBondContact O-CB 3.43Å; S743-F747 PolarHBondContact O-N 3.13Å; A744-F747 WeakPolarHBondContact O-CB 3.39Å; A744-F747 PolarHBondContact O-N 3.06Å; L745-F747 VanDerWaalsContact C-N 3.28Å; L745-F747 PolarHBondContact O-N 2.92Å; F747-S750 PolarHBondContact O-N 2.87Å; F747-S750 PolarHBondContact O-OG 3.29Å; F747-F776 AromaticContact CD2-CZ 3.93Å; F747-F776 HydrophobicContact CD2-CZ 3.93Å; F747-F776 HydrophobicContact CE2-CE2 4.24Å; F747-F776 AromaticContact CE2-CZ 3.84Å; F747-F776 HydrophobicContact CE2-CZ 3.84Å; F747-T777 HydrophobicContact CD2-CG2 4.04Å; F747-T777 HydrophobicContact CE2-CG2 3.58Å; F747-T777 HydrophobicContact CZ-CG2 4.42Å
748F82.2Confident80.1Confident81 Ų8140.8 Ų40.836%0.35523%0.225SC..Hα-helixtrans-62-47.8169.8-77.5-72.1000112.7L638 L639 V642 A744 L745 S750 L751L638-F748 HydrophobicContact CD2-CD1 3.42Å; L638-F748 VanDerWaalsContact CD2-CD1 3.42Å; L638-F748 HydrophobicContact CD2-CE1 3.75Å; L638-F748 HydrophobicContact CD2-CG 4.36Å; L638-F748 HydrophobicContact CG-CD1 4.42Å; L639-F748 HydrophobicContact CD2-CE1 4.05Å; L639-F748 HydrophobicContact CD2-CZ 4.13Å; V642-F748 HydrophobicContact CB-CE2 4.48Å; V642-F748 HydrophobicContact CG1-CE2 4.08Å; V642-F748 HydrophobicContact CG1-CZ 4.49Å; V642-F748 HydrophobicContact CG2-CD2 4.28Å; V642-F748 HydrophobicContact CG2-CE1 4.19Å; V642-F748 HydrophobicContact CG2-CE2 3.54Å; V642-F748 HydrophobicContact CG2-CZ 3.49Å; V642-F748 VanDerWaalsContact CG2-CZ 3.49Å; A744-F748 VanDerWaalsContact O-CD2 3.24Å; A744-F748 WeakPolarHBondContact O-CD2 3.38Å; A744-F748 PolarHBondContact O-N 3.32Å; L745-F748 PolarHBondContact O-N 3.46Å; F748-S750 PolarHBondContact O-N 2.79Å; F748-L751 PolarHBondContact O-N 3.01Å
749I82.4Confident79.4Confident91 Ų9142.5 Ų42.547%0.46723%0.233SC..Hα-helixtrans-59.6-31.1179.5-69.4163.1000111.5L745 L746 L751 C752L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.26Å; L745-I749 PolarHBondContact O-N 3.44Å; L746-I749 PolarHBondContact O-N 3.37Å; I749-L751 PolarHBondContact O-N 3.22Å; I749-C752 WeakPolarHBondContact O-CB 3.37Å; I749-C752 PolarHBondContact O-N 3.15Å; I749-C752 VanDerWaalsContact O-N 3.11Å
750S84.2Confident78.6Confident12 Ų1246 Ų468%0.08425%0.248CC..Hα-helixtrans-64.3-23.8176.473.80000114L746 F747 F748 P753 S775 T777 T778L746-S750 PolarHBondContact O-N 3.33Å; F747-S750 PolarHBondContact O-N 2.87Å; F747-S750 PolarHBondContact O-OG 3.29Å; F748-S750 PolarHBondContact O-N 2.79Å; S750-P753 WeakPolarHBondContact O-CD 3.35Å; S750-S775 PolarHBondContact O-OG 3.23Å; S750-T777 WeakPolarHBondContact CB-OG1 3.39Å; S750-T777 PolarHBondContact O-OG1 2.88Å; S750-T777 WeakPolarHBondContact OG-CG2 3.06Å; S750-T777 PolarHBondContact OG-OG1 2.91Å; S750-T778 VanDerWaalsContact O-CG2 3.32Å; S750-T778 WeakPolarHBondContact O-CG2 3.33Å
751L81.6Confident77.6Confident16 Ų1648.3 Ų48.38%0.08426%0.259CS..Hα-helixtrans-80-22.2173.5-169.868.1000112.7L638 F748 I749 P753 F754 I755 A781L638-L751 HydrophobicContact CD1-CB 4.48Å; L638-L751 HydrophobicContact CD2-CB 4.27Å; L638-L751 HydrophobicContact CD2-CD2 3.84Å; F748-L751 PolarHBondContact O-N 3.01Å; I749-L751 PolarHBondContact O-N 3.22Å; L751-P753 VanDerWaalsContact C-CD 3.42Å; L751-P753 VanDerWaalsContact C-N 3.33Å; L751-F754 HydrophobicContact CD1-CB 3.92Å; L751-F754 HydrophobicContact CD1-CD1 3.8Å; L751-F754 HydrophobicContact CD1-CG 4.18Å; L751-F754 HydrophobicContact CG-CB 4.5Å; L751-F754 HydrophobicContact CG-CD1 4.43Å; L751-F754 WeakPolarHBondContact O-CA 3.41Å; L751-F754 WeakPolarHBondContact O-CB 3.06Å; L751-F754 PolarHBondContact O-N 3.47Å; L751-I755 PolarHBondContact O-N 3.45Å; L751-A781 HydrophobicContact CD1-CB 4.08Å
752C71Confident76.5Confident59 Ų5950 Ų5040%0.39928%0.279SS..Hα-helixtrans-53.2-38.9-175.7-65.10000114.7I749 F754 I755 I756I749-C752 WeakPolarHBondContact O-CB 3.37Å; I749-C752 PolarHBondContact O-N 3.15Å; I749-C752 VanDerWaalsContact O-N 3.11Å; C752-F754 VanDerWaalsContact C-N 3.3Å; C752-F754 PolarHBondContact O-N 2.86Å; C752-I755 PolarHBondContact O-N 2.73Å; C752-I756 WeakPolarHBondContact O-CG1 3.18Å; C752-I756 PolarHBondContact O-N 3.46Å; C752-I756 VanDerWaalsContact O-N 3.1Å
753P78.4Confident75.6Confident46 Ų4658 Ų5830%0.29931%0.309SS..Hα-helixtrans-66.4-27.2175.4-15.729.7000113.3S750 L751 I756 V757 T778S750-P753 WeakPolarHBondContact O-CD 3.35Å; L751-P753 VanDerWaalsContact C-CD 3.42Å; L751-P753 VanDerWaalsContact C-N 3.33Å; P753-I756 PolarHBondContact O-N 3.31Å; P753-V757 VanDerWaalsContact O-CB 3.23Å; P753-V757 WeakPolarHBondContact O-CB 3.2Å; P753-V757 WeakPolarHBondContact O-CG2 3.44Å; P753-V757 PolarHBondContact O-N 2.92Å; P753-T778 HydrophobicContact CB-CG2 4.1Å; P753-T778 HydrophobicContact CG-CG2 4.39Å
754F79.7Confident74.7Confident11 Ų1160 Ų605%0.04832%0.32CS..Hα-helixtrans-67.3-40.1171.4174.7-109.7000111.6Q631 L751 C752 I756 V757 L758 T778 A781 K782Q631-F754 HydrophobicContact CB-CE1 4.43Å; Q631-F754 HydrophobicContact CG-CE1 4.34Å; Q631-F754 HydrophobicContact CG-CZ 4.42Å; L751-F754 HydrophobicContact CD1-CB 3.92Å; L751-F754 HydrophobicContact CD1-CD1 3.8Å; L751-F754 HydrophobicContact CD1-CG 4.18Å; L751-F754 HydrophobicContact CG-CB 4.5Å; L751-F754 HydrophobicContact CG-CD1 4.43Å; L751-F754 WeakPolarHBondContact O-CA 3.41Å; L751-F754 WeakPolarHBondContact O-CB 3.06Å; L751-F754 PolarHBondContact O-N 3.47Å; C752-F754 VanDerWaalsContact C-N 3.3Å; C752-F754 PolarHBondContact O-N 2.86Å; F754-I756 VanDerWaalsContact C-N 3.29Å; F754-I756 PolarHBondContact O-N 3.37Å; F754-V757 PolarHBondContact O-N 3.32Å; F754-L758 HydrophobicContact CD1-CD1 3.98Å; F754-L758 HydrophobicContact CD1-CG 4.37Å; F754-L758 HydrophobicContact CD2-CG 4.48Å; F754-L758 HydrophobicContact CE1-CD1 3.58Å; F754-L758 HydrophobicContact CE1-CD2 4.34Å; F754-L758 HydrophobicContact CE1-CG 4.03Å; F754-L758 HydrophobicContact CE2-CD2 4.07Å; F754-L758 HydrophobicContact CE2-CG 4.14Å; F754-L758 HydrophobicContact CZ-CD1 3.91Å; F754-L758 HydrophobicContact CZ-CD2 3.79Å; F754-L758 HydrophobicContact CZ-CG 3.91Å; F754-L758 WeakPolarHBondContact O-CG 3.3Å; F754-L758 PolarHBondContact O-N 2.96Å; F754-T778 HydrophobicContact CB-CG2 3.76Å; F754-A781 HydrophobicContact CB-CB 4.35Å; F754-A781 HydrophobicContact CD1-CB 3.59Å; F754-A781 HydrophobicContact CD2-CB 3.55Å; F754-A781 HydrophobicContact CE1-CB 3.6Å; F754-A781 HydrophobicContact CE2-CB 3.57Å; F754-A781 HydrophobicContact CG-CB 3.56Å; F754-A781 HydrophobicContact CZ-CB 3.59Å; F754-K782 HydrophobicContact CD2-CG 4.35Å; F754-K782 HydrophobicContact CE2-CG 4.25Å
755I72.2Confident74.4Confident84 Ų8462 Ų6243%0.43133%0.333SS..Hα-helixtrans-63.3-39.4176.3-57.9172.1000110.7L751 C752L751-I755 PolarHBondContact O-N 3.45Å; C752-I755 PolarHBondContact O-N 2.73Å
756I66.9Low74.4Confident69 Ų6962.4 Ų62.435%0.35434%0.339SS..Hα-helixtrans-64.7-46.6172.8-67.3167.5000110.3C752 P753 F754 L758 M759 F760C752-I756 WeakPolarHBondContact O-CG1 3.18Å; C752-I756 PolarHBondContact O-N 3.46Å; C752-I756 VanDerWaalsContact O-N 3.1Å; P753-I756 PolarHBondContact O-N 3.31Å; F754-I756 VanDerWaalsContact C-N 3.29Å; F754-I756 PolarHBondContact O-N 3.37Å; I756-L758 PolarHBondContact O-N 3.02Å; I756-M759 VanDerWaalsContact O-CB 3.31Å; I756-M759 WeakPolarHBondContact O-CB 3.4Å; I756-M759 PolarHBondContact O-N 2.88Å; I756-F760 HydrophobicContact CG2-CD2 3.74Å; I756-F760 HydrophobicContact CG2-CE2 3.83Å; I756-F760 VanDerWaalsContact O-CD2 3.26Å; I756-F760 WeakPolarHBondContact O-CD2 3.37Å; I756-F760 PolarHBondContact O-N 3.16Å
757V72.6Confident74.2Confident7 Ų765.8 Ų65.84%0.04235%0.351CS..Hα-helixtrans-66-34.9-178.31630000112.6P753 F754 M759 F760 D761 L764 V772P753-V757 VanDerWaalsContact O-CB 3.23Å; P753-V757 WeakPolarHBondContact O-CB 3.2Å; P753-V757 WeakPolarHBondContact O-CG2 3.44Å; P753-V757 PolarHBondContact O-N 2.92Å; F754-V757 PolarHBondContact O-N 3.32Å; V757-M759 PolarHBondContact O-N 3.16Å; V757-M759 VanDerWaalsContact O-N 3.13Å; V757-F760 CarbonylContact O-C 3.56Å; V757-F760 PolarHBondContact O-N 3.38Å; V757-D761 WeakPolarHBondContact CG1-OD1 3.27Å; V757-D761 WeakPolarHBondContact O-CA 3.18Å; V757-D761 WeakPolarHBondContact O-CB 3.16Å; V757-D761 PolarHBondContact O-N 3.39Å; V757-L764 HydrophobicContact CB-CD1 4.26Å; V757-L764 HydrophobicContact CG1-CD1 3.63Å; V757-L764 HydrophobicContact CG2-CD1 3.94Å; V757-V772 HydrophobicContact CB-CG1 4.39Å; V757-V772 HydrophobicContact CG1-CG1 4.44Å; V757-V772 HydrophobicContact CG2-CB 4.22Å; V757-V772 HydrophobicContact CG2-CG1 3.49Å; V757-V772 VanDerWaalsContact CG2-CG1 3.49Å; V757-V772 HydrophobicContact CG2-CG2 3.65Å
758L71.8Confident74Confident48 Ų4870 Ų7025%0.25137%0.371SS..Hα-helixtrans-54.4-32.1169.8-75.1170.5000112.2R434 Q631 F754 I756R434-L758 VanDerWaalsContact CZ-O 3.25Å; R434-L758 PolarHBondContact NH1-O 3.37Å; R434-L758 PolarHBondContact NH2-O 2.91Å; Q631-L758 HydrophobicContact CG-CD1 3.89Å; Q631-L758 HydrophobicContact CG-CD2 4.28Å; F754-L758 HydrophobicContact CD1-CD1 3.98Å; F754-L758 HydrophobicContact CD1-CG 4.37Å; F754-L758 HydrophobicContact CD2-CG 4.48Å; F754-L758 HydrophobicContact CE1-CD1 3.58Å; F754-L758 HydrophobicContact CE1-CD2 4.34Å; F754-L758 HydrophobicContact CE1-CG 4.03Å; F754-L758 HydrophobicContact CE2-CD2 4.07Å; F754-L758 HydrophobicContact CE2-CG 4.14Å; F754-L758 HydrophobicContact CZ-CD1 3.91Å; F754-L758 HydrophobicContact CZ-CD2 3.79Å; F754-L758 HydrophobicContact CZ-CG 3.91Å; F754-L758 WeakPolarHBondContact O-CG 3.3Å; F754-L758 PolarHBondContact O-N 2.96Å; I756-L758 PolarHBondContact O-N 3.02Å
759M64.9Low73.7Confident114 Ų11467.1 Ų67.156%0.56236%0.36SS*.Hα-helixtrans-73.2-44.2171.9-56.3-59.1-174.500111.9R434 I756 V757 F1237R434-M759 PolarHBondContact NH1-O 2.81Å; R434-M759 PolarHBondContact NH2-O 2.83Å; I756-M759 VanDerWaalsContact O-CB 3.31Å; I756-M759 WeakPolarHBondContact O-CB 3.4Å; I756-M759 PolarHBondContact O-N 2.88Å; V757-M759 PolarHBondContact O-N 3.16Å; V757-M759 VanDerWaalsContact O-N 3.13Å; M759-F1237 HydrophobicContact CE-CZ 4.44Å
760F67.8Low73.8Confident72 Ų7266.5 Ų66.532%0.31635%0.354SS..Hα-helixtrans-94-9.6-170.1-68.6-72.1000117.3I756 V757 A762 K763 Y1240I756-F760 HydrophobicContact CG2-CD2 3.74Å; I756-F760 HydrophobicContact CG2-CE2 3.83Å; I756-F760 VanDerWaalsContact O-CD2 3.26Å; I756-F760 WeakPolarHBondContact O-CD2 3.37Å; I756-F760 PolarHBondContact O-N 3.16Å; V757-F760 CarbonylContact O-C 3.56Å; V757-F760 PolarHBondContact O-N 3.38Å; F760-A762 PolarHBondContact O-N 3.18Å; F760-K763 PolarHBondContact O-N 2.77Å; F760-Y1240 HydrophobicContact CE1-CD1 4.41Å; F760-Y1240 AromaticContact CE1-CE1 3.52Å; F760-Y1240 HydrophobicContact CE1-CE1 3.52Å; F760-Y1240 AromaticContact CZ-CD1 3.83Å; F760-Y1240 HydrophobicContact CZ-CD1 3.83Å; F760-Y1240 AromaticContact CZ-CE1 3.36Å; F760-Y1240 HydrophobicContact CZ-CE1 3.36Å
761D63.8Low73.8Confident60 Ų6070.3 Ų70.332%0.32137%0.373SS..G310 helixtrans-47-40.4-162.6-146.739.5000114.9R434 V757 K763 L764R434-D761 VanDerWaalsContact NH2-CB 3.3Å; V757-D761 WeakPolarHBondContact CG1-OD1 3.27Å; V757-D761 WeakPolarHBondContact O-CA 3.18Å; V757-D761 WeakPolarHBondContact O-CB 3.16Å; V757-D761 PolarHBondContact O-N 3.39Å; D761-K763 PolarHBondContact O-N 3.07Å; D761-L764 PolarHBondContact O-N 3.38Å
762A56.8Low73.7Confident88 Ų8871.1 Ų71.173%0.72738%0.379SS*.G310 helixtrans-63.3-7.8179.500000115.4F760F760-A762 PolarHBondContact O-N 3.18Å
763K62.9Low74.4Confident189 Ų18968.4 Ų68.482%0.82236%0.36SS*.G310 helixtrans-117.9-4.6178.9-66.2-174.6177.7-179.80114.2F760 D761 S765F760-K763 PolarHBondContact O-N 2.77Å; D761-K763 PolarHBondContact O-N 3.07Å; K763-S765 PolarHBondContact O-N 2.97Å
764L69.1Low74.7Confident44 Ų4469.6 Ų69.623%0.2336%0.364CS..  trans-78.5122.2-175.4-67.8172.8000111.7V757 D761 E768V757-L764 HydrophobicContact CB-CD1 4.26Å; V757-L764 HydrophobicContact CG1-CD1 3.63Å; V757-L764 HydrophobicContact CG2-CD1 3.94Å; D761-L764 PolarHBondContact O-N 3.38Å; L764-E768 HydrophobicContact CD2-CB 3.94Å
765S79.2Confident74.9Confident55 Ų5570.1 Ų70.139%0.38537%0.369SS..  trans-64.7163.4168.569.20000111.8K763 F767 E768 S769K763-S765 PolarHBondContact O-N 2.97Å; S765-F767 PolarHBondContact O-N 3.47Å; S765-F767 VanDerWaalsContact O-N 3.16Å; S765-E768 WeakPolarHBondContact CB-OE2 3.27Å; S765-E768 PolarHBondContact N-OE2 3.45Å; S765-E768 PolarHBondContact O-N 3.23Å; S765-E768 VanDerWaalsContact O-N 3.16Å; S765-E768 WeakPolarHBondContact OG-CG 3.33Å; S765-E768 PolarHBondContact OG-N 2.9Å; S765-E768 PolarHBondContact OG-OE2 3.5Å; S765-S769 WeakPolarHBondContact O-CB 3.42Å; S765-S769 PolarHBondContact O-N 3.12Å
766V79.2Confident75.7Confident94 Ų9466.2 Ų66.257%0.5735%0.349SS*.Hα-helixtrans-57.3-31.1175.4-175.40000111.8F770 M814V766-F770 WeakPolarHBondContact O-CB 3.45Å; V766-F770 PolarHBondContact O-N 3.37Å; V766-F770 VanDerWaalsContact O-N 3.08Å; V766-M814 HydrophobicContact CG1-CE 4.04Å
767F83.6Confident76.8Confident141 Ų14163 Ų6362%0.61833%0.333SS*.Hα-helixtrans-77.2-40.8177.5-179-108.6000112.6S765 F770 L771S765-F767 PolarHBondContact O-N 3.47Å; S765-F767 VanDerWaalsContact O-N 3.16Å; F767-F770 WeakPolarHBondContact O-CB 3.47Å; F767-F770 PolarHBondContact O-N 3.41Å; F767-L771 HydrophobicContact CD1-CD1 4.06Å; F767-L771 HydrophobicContact CE1-CD1 3.54Å; F767-L771 HydrophobicContact CE1-CG 4.22Å; F767-L771 HydrophobicContact CZ-CD1 3.89Å; F767-L771 HydrophobicContact CZ-CD2 4.38Å; F767-L771 HydrophobicContact CZ-CG 4.2Å; F767-L771 WeakPolarHBondContact O-CG 3.38Å; F767-L771 PolarHBondContact O-N 2.95Å
768E83.1Confident77.5Confident90 Ų9062.7 Ų62.742%0.42133%0.331SS..Hα-helixtrans-67.6-38.1174.7-68.9156.7130.500111.2L764 S765 L771 V772L764-E768 HydrophobicContact CD2-CB 3.94Å; S765-E768 WeakPolarHBondContact CB-OE2 3.27Å; S765-E768 PolarHBondContact N-OE2 3.45Å; S765-E768 PolarHBondContact O-N 3.23Å; S765-E768 VanDerWaalsContact O-N 3.16Å; S765-E768 WeakPolarHBondContact OG-CG 3.33Å; S765-E768 PolarHBondContact OG-N 2.9Å; S765-E768 PolarHBondContact OG-OE2 3.5Å; E768-L771 PolarHBondContact O-N 2.97Å; E768-V772 WeakPolarHBondContact O-CB 3.29Å; E768-V772 WeakPolarHBondContact O-CG2 3.28Å; E768-V772 PolarHBondContact O-N 2.98Å
769S77.5Confident78.4Confident20 Ų2060.5 Ų60.514%0.1432%0.319CS..Hα-helixtrans-58.1-46.2169.4-81.20000112.1S765 L771 V772 D773 K782S765-S769 WeakPolarHBondContact O-CB 3.42Å; S765-S769 PolarHBondContact O-N 3.12Å; S769-L771 VanDerWaalsContact C-N 3.3Å; S769-L771 PolarHBondContact O-N 3.17Å; S769-V772 WeakPolarHBondContact O-CB 3.46Å; S769-V772 PolarHBondContact O-N 3.3Å; S769-D773 VanDerWaalsContact O-CB 3.26Å; S769-D773 WeakPolarHBondContact O-CB 3.44Å; S769-D773 PolarHBondContact O-N 3.38Å; S769-K782 PolarHBondContact OG-NZ 3.27Å
770F84.5Confident79.6Confident78 Ų7855.4 Ų55.434%0.34229%0.294SS..Hα-helixtrans-59.5-37.9174.3177.5-79.7000112.9V766 F767 L774 M814 M818 L821V766-F770 WeakPolarHBondContact O-CB 3.45Å; V766-F770 PolarHBondContact O-N 3.37Å; V766-F770 VanDerWaalsContact O-N 3.08Å; F767-F770 WeakPolarHBondContact O-CB 3.47Å; F767-F770 PolarHBondContact O-N 3.41Å; F770-L774 PolarHBondContact O-N 2.95Å; F770-M814 HydrophobicContact CB-SD 4.44Å; F770-M818 HydrophobicContact CD2-CE 3.55Å; F770-M818 HydrophobicContact CD2-SD 4.08Å; F770-M818 HydrophobicContact CE2-CE 3.38Å; F770-M818 HydrophobicContact CE2-SD 3.93Å; F770-M818 HydrophobicContact CZ-CE 4.29Å; F770-M818 HydrophobicContact CZ-SD 4.35Å; F770-L821 HydrophobicContact CZ-CD1 4.02Å
771L84.1Confident80.7Confident92 Ų9252 Ų5248%0.48228%0.279SS..Hα-helixtrans-72.3-36177.2-72.2178000113.2F767 E768 S769 L774F767-L771 HydrophobicContact CD1-CD1 4.06Å; F767-L771 HydrophobicContact CE1-CD1 3.54Å; F767-L771 HydrophobicContact CE1-CG 4.22Å; F767-L771 HydrophobicContact CZ-CD1 3.89Å; F767-L771 HydrophobicContact CZ-CD2 4.38Å; F767-L771 HydrophobicContact CZ-CG 4.2Å; F767-L771 WeakPolarHBondContact O-CG 3.38Å; F767-L771 PolarHBondContact O-N 2.95Å; E768-L771 PolarHBondContact O-N 2.97Å; S769-L771 VanDerWaalsContact C-N 3.3Å; S769-L771 PolarHBondContact O-N 3.17Å; L771-L774 VanDerWaalsContact O-CB 3.3Å; L771-L774 WeakPolarHBondContact O-CB 3.44Å
772V79.7Confident81.8Confident32 Ų3249.7 Ų49.719%0.19427%0.266CS..Hα-helixtrans-62.5-49.2171.3161.90000110.2V757 E768 S769 L774 S775 T778V757-V772 HydrophobicContact CB-CG1 4.39Å; V757-V772 HydrophobicContact CG1-CG1 4.44Å; V757-V772 HydrophobicContact CG2-CB 4.22Å; V757-V772 HydrophobicContact CG2-CG1 3.49Å; V757-V772 VanDerWaalsContact CG2-CG1 3.49Å; V757-V772 HydrophobicContact CG2-CG2 3.65Å; E768-V772 WeakPolarHBondContact O-CB 3.29Å; E768-V772 WeakPolarHBondContact O-CG2 3.28Å; E768-V772 PolarHBondContact O-N 2.98Å; S769-V772 WeakPolarHBondContact O-CB 3.46Å; S769-V772 PolarHBondContact O-N 3.3Å; V772-L774 PolarHBondContact O-N 2.83Å; V772-L774 VanDerWaalsContact O-N 3.08Å; V772-S775 PolarHBondContact O-N 3.38Å; V772-S775 VanDerWaalsContact O-N 3.1Å; V772-T778 PolarHBondContact O-OG1 3.4Å; V772-T778 VanDerWaalsContact O-OG1 3.07Å
773D84.1Confident83.3Confident3 Ų345.5 Ų45.52%0.01623%0.231CC..THydrogen-bonded Turntrans-73.3-3.7-170.6-62.3-7.9000112.7S769 S775 A779 K782 M818S769-D773 VanDerWaalsContact O-CB 3.26Å; S769-D773 WeakPolarHBondContact O-CB 3.44Å; S769-D773 PolarHBondContact O-N 3.38Å; D773-S775 PolarHBondContact O-N 3Å; D773-S775 VanDerWaalsContact O-N 3.17Å; D773-A779 HydrophobicContact CB-CB 4.01Å; D773-K782 VanDerWaalsContact CG-NZ 3.33Å; D773-K782 WeakPolarHBondContact OD1-CD 3.37Å; D773-K782 VanDerWaalsContact OD1-CE 3.32Å; D773-K782 WeakPolarHBondContact OD1-CE 3.43Å; D773-K782 IonicContact OD1-NZ 2.88Å; D773-K782 PolarHBondContact OD1-NZ 3.26Å; D773-K782 IonicContact OD2-NZ 3.21Å; D773-K782 PolarHBondContact OD2-NZ 2.84Å; D773-K782 VanDerWaalsContact OD2-NZ 3.16Å; D773-M818 HydrophobicContact CB-CG 3.78Å; D773-M818 WeakPolarHBondContact O-CB 3.5Å
774L84.5Confident84.6Confident70 Ų7036.5 Ų36.537%0.36619%0.192SC..THydrogen-bonded Turntrans-62.2-8.2163.7-165.866.3000113.4F770 L771 V772 L821 L825 Y826F770-L774 PolarHBondContact O-N 2.95Å; L771-L774 VanDerWaalsContact O-CB 3.3Å; L771-L774 WeakPolarHBondContact O-CB 3.44Å; V772-L774 PolarHBondContact O-N 2.83Å; V772-L774 VanDerWaalsContact O-N 3.08Å; L774-L821 HydrophobicContact CD1-CD2 3.62Å; L774-L825 HydrophobicContact CD1-CD2 3.83Å; L774-L825 HydrophobicContact CG-CD2 4.41Å; L774-Y826 PolarHBondContact O-OH 2.8Å
775S83.9Confident85.5Confident23 Ų2334.7 Ų34.716%0.16118%0.184CC..SBendtrans-98.9103.8161.7-163.80000109.4S750 V772 D773 T777 T778 A779S750-S775 PolarHBondContact O-OG 3.23Å; V772-S775 PolarHBondContact O-N 3.38Å; V772-S775 VanDerWaalsContact O-N 3.1Å; D773-S775 PolarHBondContact O-N 3Å; D773-S775 VanDerWaalsContact O-N 3.17Å; S775-T777 PolarHBondContact O-N 3.12Å; S775-T778 WeakPolarHBondContact O-CA 3.46Å; S775-T778 WeakPolarHBondContact O-CB 3.08Å; S775-T778 PolarHBondContact O-N 3.48Å; S775-T778 PolarHBondContact O-OG1 3.22Å; S775-A779 PolarHBondContact O-N 3Å
776F89.3Confident85.7Confident1 Ų132.6 Ų32.60%0.00417%0.169CC..Hα-helixtrans-48.4-28.1-174.979.9-69.2000116.4F718 C721 L722 F725 F747 F780 F819 D822 Y826F718-F776 AromaticContact CD2-CD2 3.85Å; F718-F776 HydrophobicContact CD2-CD2 3.85Å; F718-F776 HydrophobicContact CD2-CE2 4.29Å; F718-F776 AromaticContact CE2-CD2 3.4Å; F718-F776 HydrophobicContact CE2-CD2 3.4Å; F718-F776 AromaticContact CE2-CE2 3.55Å; F718-F776 HydrophobicContact CE2-CE2 3.55Å; F718-F776 HydrophobicContact CE2-CG 4.49Å; F718-F776 HydrophobicContact CZ-CD2 4.22Å; F718-F776 AromaticContact CZ-CE2 3.9Å; F718-F776 HydrophobicContact CZ-CE2 3.9Å; C721-F776 HydrophobicContact CB-CD2 4.37Å; C721-F776 VanDerWaalsContact SG-CB 3.6Å; L722-F776 HydrophobicContact CB-CE2 4.18Å; L722-F776 HydrophobicContact CD1-CE2 3.71Å; L722-F776 HydrophobicContact CD1-CZ 3.72Å; F725-F776 HydrophobicContact CB-CE1 4.22Å; F725-F776 HydrophobicContact CB-CZ 4.13Å; F725-F776 HydrophobicContact CD1-CE1 4.39Å; F725-F776 HydrophobicContact CD1-CZ 4.17Å; F725-F776 AromaticContact CD2-CE1 3.76Å; F725-F776 HydrophobicContact CD2-CE1 3.76Å; F725-F776 HydrophobicContact CD2-CZ 4.31Å; F725-F776 HydrophobicContact CE2-CE1 4.19Å; F725-F776 AromaticContact CG-CE1 3.87Å; F725-F776 HydrophobicContact CG-CE1 3.87Å; F725-F776 AromaticContact CG-CZ 3.95Å; F725-F776 HydrophobicContact CG-CZ 3.95Å; F747-F776 AromaticContact CD2-CZ 3.93Å; F747-F776 HydrophobicContact CD2-CZ 3.93Å; F747-F776 HydrophobicContact CE2-CE2 4.24Å; F747-F776 AromaticContact CE2-CZ 3.84Å; F747-F776 HydrophobicContact CE2-CZ 3.84Å; F776-F780 VanDerWaalsContact O-CB 3.25Å; F776-F780 WeakPolarHBondContact O-CB 3.37Å; F776-F780 PolarHBondContact O-N 3.36Å; F776-F780 VanDerWaalsContact O-N 3.08Å; F776-F819 WeakPolarHBondContact O-CE1 3.46Å; F776-D822 WeakPolarHBondContact CA-OD2 3.25Å; F776-D822 HydrophobicContact CB-CB 4.19Å; F776-D822 VanDerWaalsContact CB-OD2 3.3Å; F776-D822 WeakPolarHBondContact CB-OD2 3.24Å; F776-D822 PolarHBondContact N-OD2 3.4Å; F776-Y826 HydrophobicContact CB-CE2 4.27Å; F776-Y826 AromaticContact CD1-CE2 3.62Å; F776-Y826 HydrophobicContact CD1-CE2 3.62Å; F776-Y826 AromaticContact CD1-CZ 4Å; F776-Y826 WeakPolarHBondContact CD1-OH 3.49Å; F776-Y826 HydrophobicContact CE1-CE2 4.19Å; F776-Y826 HydrophobicContact CG-CE2 4.04Å
777T89.8Confident86.2Confident3 Ų328.1 Ų28.12%0.01814%0.141CC..Hα-helixtrans-76.8-27.8175.338.40000113.2L638 F718 F747 S750 S775 A781L638-T777 HydrophobicContact CD1-CG2 4.23Å; F718-T777 HydrophobicContact CE2-CG2 4.29Å; F718-T777 HydrophobicContact CZ-CG2 4.35Å; F747-T777 HydrophobicContact CD2-CG2 4.04Å; F747-T777 HydrophobicContact CE2-CG2 3.58Å; F747-T777 HydrophobicContact CZ-CG2 4.42Å; S750-T777 WeakPolarHBondContact CB-OG1 3.39Å; S750-T777 PolarHBondContact O-OG1 2.88Å; S750-T777 WeakPolarHBondContact OG-CG2 3.06Å; S750-T777 PolarHBondContact OG-OG1 2.91Å; S775-T777 PolarHBondContact O-N 3.12Å; T777-A781 VanDerWaalsContact O-CB 3.23Å; T777-A781 WeakPolarHBondContact O-CB 3.47Å; T777-A781 PolarHBondContact O-N 3.07Å
778T88.2Confident86.3Confident0 Ų021.9 Ų21.90%011%0.114CC..Hα-helixtrans-78.1-43.3175.471.30000111.1S750 P753 F754 V772 S775 F780 A781 K782S750-T778 VanDerWaalsContact O-CG2 3.32Å; S750-T778 WeakPolarHBondContact O-CG2 3.33Å; P753-T778 HydrophobicContact CB-CG2 4.1Å; P753-T778 HydrophobicContact CG-CG2 4.39Å; F754-T778 HydrophobicContact CB-CG2 3.76Å; V772-T778 PolarHBondContact O-OG1 3.4Å; V772-T778 VanDerWaalsContact O-OG1 3.07Å; S775-T778 WeakPolarHBondContact O-CA 3.46Å; S775-T778 WeakPolarHBondContact O-CB 3.08Å; S775-T778 PolarHBondContact O-N 3.48Å; S775-T778 PolarHBondContact O-OG1 3.22Å; T778-F780 VanDerWaalsContact C-N 3.29Å; T778-F780 PolarHBondContact O-N 3.09Å; T778-A781 PolarHBondContact O-N 3.22Å; T778-K782 PolarHBondContact O-N 2.88Å
779A89.9Confident86.3Confident1 Ų121.2 Ų21.21%0.00811%0.108CC..Hα-helixtrans-55.1-44.916800000111.7D773 S775 G783 A815 M818 F819D773-A779 HydrophobicContact CB-CB 4.01Å; S775-A779 PolarHBondContact O-N 3Å; A779-G783 PolarHBondContact O-N 3.33Å; A779-A815 HydrophobicContact CB-CB 4.23Å; A779-A815 WeakPolarHBondContact O-CB 3.08Å; A779-M818 HydrophobicContact CB-CB 4.07Å; A779-F819 HydrophobicContact CB-CD1 4.49Å; A779-F819 HydrophobicContact CB-CE1 4.06Å
780F91.7Very high86.6Confident8 Ų821.7 Ų21.74%0.03511%0.108CC..Hα-helixtrans-62.9-41.5174.2178.7-95.4000112.2Y637 Y714 F718 F776 T778 W784 F819Y637-F780 HydrophobicContact CD1-CE1 4.37Å; Y637-F780 AromaticContact CD1-CZ 3.81Å; Y637-F780 HydrophobicContact CD1-CZ 3.81Å; Y637-F780 HydrophobicContact CD2-CE1 4.16Å; Y637-F780 AromaticContact CD2-CZ 3.94Å; Y637-F780 HydrophobicContact CD2-CZ 3.94Å; Y637-F780 HydrophobicContact CE1-CZ 4.26Å; Y637-F780 HydrophobicContact CE2-CZ 4.42Å; Y637-F780 AromaticContact CG-CE1 3.82Å; Y637-F780 HydrophobicContact CG-CE1 3.82Å; Y637-F780 AromaticContact CG-CZ 3.64Å; Y637-F780 HydrophobicContact CG-CZ 3.64Å; Y714-F780 HydrophobicContact CD1-CE2 4.36Å; Y714-F780 AromaticContact CE1-CD2 3.72Å; Y714-F780 HydrophobicContact CE1-CD2 3.72Å; Y714-F780 AromaticContact CE1-CE2 3.89Å; Y714-F780 HydrophobicContact CE1-CE2 3.89Å; Y714-F780 PolarHBondContact OH-O 3.09Å; F718-F780 HydrophobicContact CB-CD2 3.79Å; F718-F780 HydrophobicContact CB-CE2 4.03Å; F718-F780 AromaticContact CD1-CD2 3.85Å; F718-F780 HydrophobicContact CD1-CD2 3.85Å; F718-F780 AromaticContact CD1-CE2 3.66Å; F718-F780 HydrophobicContact CD1-CE2 3.66Å; F718-F780 HydrophobicContact CD1-CZ 4.22Å; F718-F780 HydrophobicContact CD2-CB 3.71Å; F718-F780 AromaticContact CD2-CD2 3.39Å; F718-F780 HydrophobicContact CD2-CD2 3.39Å; F718-F780 HydrophobicContact CD2-CE2 4.09Å; F718-F780 AromaticContact CD2-CG 3.67Å; F718-F780 HydrophobicContact CD2-CG 3.67Å; F718-F780 HydrophobicContact CE1-CD2 4.25Å; F718-F780 HydrophobicContact CE1-CE2 4.08Å; F718-F780 HydrophobicContact CE1-CZ 4.23Å; F718-F780 HydrophobicContact CE2-CB 3.68Å; F718-F780 HydrophobicContact CE2-CD1 4.23Å; F718-F780 AromaticContact CE2-CD2 3.83Å; F718-F780 HydrophobicContact CE2-CD2 3.83Å; F718-F780 HydrophobicContact CE2-CE2 4.47Å; F718-F780 AromaticContact CE2-CG 3.67Å; F718-F780 HydrophobicContact CE2-CG 3.67Å; F718-F780 AromaticContact CG-CD2 3.39Å; F718-F780 HydrophobicContact CG-CD2 3.39Å; F718-F780 AromaticContact CG-CE2 3.66Å; F718-F780 HydrophobicContact CG-CE2 3.66Å; F718-F780 HydrophobicContact CG-CG 4.12Å; F718-F780 HydrophobicContact CZ-CD1 4.29Å; F718-F780 HydrophobicContact CZ-CD2 4.24Å; F718-F780 HydrophobicContact CZ-CE2 4.47Å; F718-F780 HydrophobicContact CZ-CG 4.13Å; F776-F780 VanDerWaalsContact O-CB 3.25Å; F776-F780 WeakPolarHBondContact O-CB 3.37Å; F776-F780 PolarHBondContact O-N 3.36Å; F776-F780 VanDerWaalsContact O-N 3.08Å; T778-F780 VanDerWaalsContact C-N 3.29Å; T778-F780 PolarHBondContact O-N 3.09Å; F780-W784 AromaticContact CD1-CD1 3.76Å; F780-W784 AromaticContact CD2-CD1 3.93Å; F780-W784 AromaticContact CE1-CD1 3.44Å; F780-W784 VanDerWaalsContact CE1-CD1 3.44Å; F780-W784 AromaticContact CE1-NE1 3.61Å; F780-W784 AromaticContact CE2-CD1 3.65Å; F780-W784 AromaticContact CE2-NE1 3.32Å; F780-W784 VanDerWaalsContact CE2-NE1 3.32Å; F780-W784 AromaticContact CZ-CD1 3.4Å; F780-W784 VanDerWaalsContact CZ-CD1 3.4Å; F780-W784 AromaticContact CZ-NE1 3.07Å; F780-W784 WeakPolarHBondContact O-CB 3.48Å; F780-W784 VanDerWaalsContact O-CD1 3.29Å; F780-W784 PolarHBondContact O-N 3.27Å; F780-F819 HydrophobicContact CB-CE1 3.81Å; F780-F819 HydrophobicContact CB-CZ 3.78Å; F780-F819 AromaticContact CD2-CZ 3.89Å; F780-F819 HydrophobicContact CD2-CZ 3.89Å; F780-F819 HydrophobicContact CG-CZ 4.34Å
781A89.3Confident86.8Confident0 Ų018.1 Ų18.10%09%0.093CC..Hα-helixtrans-71-39.1-177.500000113.4Q634 L751 F754 T777 T778 W784 G785Q634-A781 HydrophobicContact CB-CB 4.25Å; Q634-A781 HydrophobicContact CG-CB 3.85Å; Q634-A781 PolarHBondContact NE2-O 2.81Å; Q634-A781 VanDerWaalsContact NE2-O 3.13Å; L751-A781 HydrophobicContact CD1-CB 4.08Å; F754-A781 HydrophobicContact CB-CB 4.35Å; F754-A781 HydrophobicContact CD1-CB 3.59Å; F754-A781 HydrophobicContact CD2-CB 3.55Å; F754-A781 HydrophobicContact CE1-CB 3.6Å; F754-A781 HydrophobicContact CE2-CB 3.57Å; F754-A781 HydrophobicContact CG-CB 3.56Å; F754-A781 HydrophobicContact CZ-CB 3.59Å; T777-A781 VanDerWaalsContact O-CB 3.23Å; T777-A781 WeakPolarHBondContact O-CB 3.47Å; T777-A781 PolarHBondContact O-N 3.07Å; T778-A781 PolarHBondContact O-N 3.22Å; A781-W784 PolarHBondContact O-N 3.04Å; A781-G785 PolarHBondContact O-N 2.98Å
782K86.9Confident86.7Confident11 Ų1114.5 Ų14.55%0.0487%0.074CC..Hα-helixtrans-63.1-51.5169.7-79.7-173.2178.8165.40112.2F754 S769 D773 T778 W784 G785 E786 E811F754-K782 HydrophobicContact CD2-CG 4.35Å; F754-K782 HydrophobicContact CE2-CG 4.25Å; S769-K782 PolarHBondContact OG-NZ 3.27Å; D773-K782 VanDerWaalsContact CG-NZ 3.33Å; D773-K782 WeakPolarHBondContact OD1-CD 3.37Å; D773-K782 VanDerWaalsContact OD1-CE 3.32Å; D773-K782 WeakPolarHBondContact OD1-CE 3.43Å; D773-K782 IonicContact OD1-NZ 2.88Å; D773-K782 PolarHBondContact OD1-NZ 3.26Å; D773-K782 IonicContact OD2-NZ 3.21Å; D773-K782 PolarHBondContact OD2-NZ 2.84Å; D773-K782 VanDerWaalsContact OD2-NZ 3.16Å; T778-K782 PolarHBondContact O-N 2.88Å; K782-W784 PolarHBondContact O-N 2.82Å; K782-G785 CarbonylContact O-C 3.56Å; K782-G785 VanDerWaalsContact O-CA 3.27Å; K782-G785 WeakPolarHBondContact O-CA 3.47Å; K782-G785 PolarHBondContact O-N 3.12Å; K782-E786 PolarHBondContact O-N 3.15Å; K782-E811 HydrophobicContact CB-CB 4.38Å
783G88.7Confident86.6Confident0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-57.9-34.3176.900000112.7A779 L787 C812A779-G783 PolarHBondContact O-N 3.33Å; G783-L787 VanDerWaalsContact O-CB 3.28Å; G783-L787 WeakPolarHBondContact O-CB 3.19Å; G783-L787 PolarHBondContact O-N 3.39Å; G783-C812 PolarHBondContact O-SG 3.5Å
784W90.3Very high86.4Confident1 Ų120.7 Ų20.70%0.00410%0.101CC..Hα-helixtrans-69-33.7168.7-93.4102.9000114.4V633 Q634 Y637 L697 L703 M711 Y714 F780 A781 K782 L787 I788V633-W784 HydrophobicContact CB-CE3 4.39Å; V633-W784 HydrophobicContact CG1-CD2 3.96Å; V633-W784 HydrophobicContact CG1-CE3 3.62Å; V633-W784 HydrophobicContact CG1-CH2 3.97Å; V633-W784 HydrophobicContact CG1-CZ2 4.31Å; V633-W784 HydrophobicContact CG1-CZ3 3.63Å; Q634-W784 HydrophobicContact CG-CB 3.8Å; Y637-W784 HydrophobicContact CD2-CZ2 4.18Å; Y637-W784 AromaticContact CE2-CE2 3.7Å; Y637-W784 AromaticContact CE2-CH2 3.96Å; Y637-W784 HydrophobicContact CE2-CH2 3.96Å; Y637-W784 AromaticContact CE2-CZ2 3.31Å; Y637-W784 HydrophobicContact CE2-CZ2 3.31Å; Y637-W784 AromaticContact CZ-CZ2 3.82Å; L697-W784 HydrophobicContact CD1-CH2 4.24Å; L703-W784 HydrophobicContact CD1-CH2 4.13Å; L703-W784 HydrophobicContact CD2-CZ3 4.31Å; M711-W784 HydrophobicContact CE-CH2 3.59Å; M711-W784 HydrophobicContact CE-CZ2 3.67Å; M711-W784 HydrophobicContact SD-CH2 3.69Å; M711-W784 HydrophobicContact SD-CZ2 3.62Å; Y714-W784 AromaticContact CE1-CD1 3.85Å; Y714-W784 AromaticContact CE1-NE1 3.76Å; F780-W784 AromaticContact CD1-CD1 3.76Å; F780-W784 AromaticContact CD2-CD1 3.93Å; F780-W784 AromaticContact CE1-CD1 3.44Å; F780-W784 VanDerWaalsContact CE1-CD1 3.44Å; F780-W784 AromaticContact CE1-NE1 3.61Å; F780-W784 AromaticContact CE2-CD1 3.65Å; F780-W784 AromaticContact CE2-NE1 3.32Å; F780-W784 VanDerWaalsContact CE2-NE1 3.32Å; F780-W784 AromaticContact CZ-CD1 3.4Å; F780-W784 VanDerWaalsContact CZ-CD1 3.4Å; F780-W784 AromaticContact CZ-NE1 3.07Å; F780-W784 WeakPolarHBondContact O-CB 3.48Å; F780-W784 VanDerWaalsContact O-CD1 3.29Å; F780-W784 PolarHBondContact O-N 3.27Å; A781-W784 PolarHBondContact O-N 3.04Å; K782-W784 PolarHBondContact O-N 2.82Å; W784-L787 HydrophobicContact CE3-CB 4.5Å; W784-L787 HydrophobicContact CE3-CD1 4.36Å; W784-L787 HydrophobicContact CE3-CD2 4.14Å; W784-L787 HydrophobicContact CZ3-CD1 4.32Å; W784-L787 HydrophobicContact CZ3-CD2 3.83Å; W784-L787 PolarHBondContact O-N 3.42Å; W784-I788 HydrophobicContact CE3-CD1 4.09Å; W784-I788 HydrophobicContact CE3-CG1 4.09Å; W784-I788 HydrophobicContact CZ3-CG1 4.5Å; W784-I788 WeakPolarHBondContact O-CB 3.28Å; W784-I788 VanDerWaalsContact O-CG1 3.25Å; W784-I788 WeakPolarHBondContact O-CG1 3.48Å; W784-I788 PolarHBondContact O-N 3.5Å
785G87.1Confident86.1Confident6 Ų622.8 Ų22.86%0.06211%0.108CC..Hα-helixtrans-61-51171.700000111.6Y628 A781 K782 L787 I788 R789Y628-G785 WeakPolarHBondContact CE2-O 3.35Å; A781-G785 PolarHBondContact O-N 2.98Å; K782-G785 CarbonylContact O-C 3.56Å; K782-G785 VanDerWaalsContact O-CA 3.27Å; K782-G785 WeakPolarHBondContact O-CA 3.47Å; K782-G785 PolarHBondContact O-N 3.12Å; G785-L787 PolarHBondContact O-N 2.94Å; G785-I788 PolarHBondContact O-N 2.9Å; G785-R789 WeakPolarHBondContact O-CB 3.5Å; G785-R789 PolarHBondContact O-N 2.99Å
786E84.4Confident85.8Confident11 Ų1123.4 Ų23.45%0.05112%0.119CC..Hα-helixtrans-59.7-44.1172.8177.1172.7-102.500112.1K782 I788 R789 M790 S810 E811 C812K782-E786 PolarHBondContact O-N 3.15Å; E786-I788 VanDerWaalsContact C-N 3.35Å; E786-I788 PolarHBondContact O-N 3.39Å; E786-R789 WeakPolarHBondContact O-CB 3.29Å; E786-R789 PolarHBondContact O-N 3.34Å; E786-R789 IonicContact OE1-NH2 3.26Å; E786-R789 PolarHBondContact OE1-NH2 2.86Å; E786-M790 HydrophobicContact CG-CG 4.27Å; E786-M790 VanDerWaalsContact O-CG 3.26Å; E786-M790 WeakPolarHBondContact O-CG 3.35Å; E786-M790 PolarHBondContact O-N 2.88Å; E786-S810 VanDerWaalsContact OE1-CA 3.29Å; E786-S810 WeakPolarHBondContact OE1-CA 3.27Å; E786-E811 HydrophobicContact CB-CB 3.99Å; E786-E811 HydrophobicContact CB-CG 4.5Å; E786-E811 VanDerWaalsContact CD-N 3.35Å; E786-E811 PolarHBondContact OE1-N 3.23Å; E786-E811 VanDerWaalsContact OE1-N 3.07Å; E786-E811 PolarHBondContact OE2-N 3.31Å; E786-C812 WeakPolarHBondContact OE2-CB 3.07Å; E786-C812 PolarHBondContact OE2-N 3.33Å; E786-C812 PolarHBondContact OE2-SG 3.15Å
787L88.7Confident85.4Confident0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-59.5-44.7178.5-168.2163.6000111.5L703 T706 F710 G783 W784 G785 M790 E791 L797L703-L787 HydrophobicContact CD2-CD2 3.6Å; T706-L787 HydrophobicContact CG2-CD1 4.39Å; T706-L787 HydrophobicContact CG2-CD2 4.3Å; T706-L787 HydrophobicContact CG2-CG 4.35Å; F710-L787 HydrophobicContact CE1-CD1 4.23Å; G783-L787 VanDerWaalsContact O-CB 3.28Å; G783-L787 WeakPolarHBondContact O-CB 3.19Å; G783-L787 PolarHBondContact O-N 3.39Å; W784-L787 HydrophobicContact CE3-CB 4.5Å; W784-L787 HydrophobicContact CE3-CD1 4.36Å; W784-L787 HydrophobicContact CE3-CD2 4.14Å; W784-L787 HydrophobicContact CZ3-CD1 4.32Å; W784-L787 HydrophobicContact CZ3-CD2 3.83Å; W784-L787 PolarHBondContact O-N 3.42Å; G785-L787 PolarHBondContact O-N 2.94Å; L787-M790 PolarHBondContact O-N 3.14Å; L787-E791 WeakPolarHBondContact O-CB 3.15Å; L787-E791 PolarHBondContact O-N 3.42Å; L787-L797 HydrophobicContact CB-CD1 4.16Å; L787-L797 HydrophobicContact CG-CD1 4.17Å
788I87.5Confident85Confident10 Ų1026.3 Ų26.35%0.05114%0.136CC..Hα-helixtrans-70-34.2177-65.3165.2000111.5Y628 V633 W784 G785 E786 E791 L792Y628-I788 HydrophobicContact CD2-CB 4.2Å; Y628-I788 HydrophobicContact CD2-CG2 3.9Å; Y628-I788 HydrophobicContact CG-CG2 4.36Å; V633-I788 HydrophobicContact CB-CD1 3.89Å; V633-I788 HydrophobicContact CG2-CD1 3.75Å; W784-I788 HydrophobicContact CE3-CD1 4.09Å; W784-I788 HydrophobicContact CE3-CG1 4.09Å; W784-I788 HydrophobicContact CZ3-CG1 4.5Å; W784-I788 WeakPolarHBondContact O-CB 3.28Å; W784-I788 VanDerWaalsContact O-CG1 3.25Å; W784-I788 WeakPolarHBondContact O-CG1 3.48Å; W784-I788 PolarHBondContact O-N 3.5Å; G785-I788 PolarHBondContact O-N 2.9Å; E786-I788 VanDerWaalsContact C-N 3.35Å; E786-I788 PolarHBondContact O-N 3.39Å; I788-E791 PolarHBondContact O-N 3.09Å; I788-L792 WeakPolarHBondContact O-CB 3.18Å; I788-L792 PolarHBondContact O-N 2.75Å
789R83Confident84.6Confident76 Ų7628.9 Ų28.929%0.28715%0.152SC..Hα-helixtrans-60.8-50.3173.3-179.4174.767.3-140.2-2.1111.1Y628 G785 E786 L792 Q793 E811Y628-R789 HydrophobicContact CE2-CB 4.27Å; G785-R789 WeakPolarHBondContact O-CB 3.5Å; G785-R789 PolarHBondContact O-N 2.99Å; E786-R789 WeakPolarHBondContact O-CB 3.29Å; E786-R789 PolarHBondContact O-N 3.34Å; E786-R789 IonicContact OE1-NH2 3.26Å; E786-R789 PolarHBondContact OE1-NH2 2.86Å; R789-L792 PolarHBondContact O-N 2.96Å; R789-Q793 WeakPolarHBondContact O-CG 3.39Å; R789-Q793 PolarHBondContact O-N 2.83Å; R789-Q793 PolarHBondContact O-OE1 2.92Å; R789-E811 IonicContact CZ-OE1 2.69Å; R789-E811 VanDerWaalsContact CZ-OE1 3.23Å; R789-E811 IonicContact NH1-OE1 3.97Å; R789-E811 PolarHBondContact NH1-OE1 3.19Å; R789-E811 IonicContact NH2-OE1 3.36Å; R789-E811 PolarHBondContact NH2-OE1 3.39Å
790M84Confident84.3Confident29 Ų2938.7 Ų38.714%0.14319%0.188CC..Hα-helixtrans-61.6-44.9175.6-62.4-71.110500111.6E786 L787 L792 Q793 Q794 E795 L797E786-M790 HydrophobicContact CG-CG 4.27Å; E786-M790 VanDerWaalsContact O-CG 3.26Å; E786-M790 WeakPolarHBondContact O-CG 3.35Å; E786-M790 PolarHBondContact O-N 2.88Å; L787-M790 PolarHBondContact O-N 3.14Å; M790-L792 VanDerWaalsContact C-N 3.25Å; M790-L792 PolarHBondContact O-N 3.33Å; M790-Q793 CarbonylContact O-C 3.54Å; M790-Q793 WeakPolarHBondContact O-CA 3.39Å; M790-Q793 PolarHBondContact O-N 3.23Å; M790-Q794 PolarHBondContact O-N 3.23Å; M790-E795 CarbonylContact C-O 3.54Å; M790-E795 HydrophobicContact CB-CB 4.49Å; M790-E795 WeakPolarHBondContact CB-O 3.28Å; M790-E795 PolarHBondContact O-N 3.09Å; M790-E795 HydrophobicContact SD-CB 4.45Å; M790-L797 HydrophobicContact CB-CD1 4.37Å; M790-L797 HydrophobicContact CB-CG 4.3Å; M790-L797 HydrophobicContact CG-CD1 4.08Å; M790-L797 HydrophobicContact CG-CD2 4.45Å; M790-L797 HydrophobicContact CG-CG 4.08Å
791E86.8Confident83.8Confident4 Ų442.2 Ų42.22%0.01921%0.205CC..Hα-helixtrans-69-17.3179.3179.768.9-134.800113.8K624 L703 G704 Y705 T706 L787 I788K624-E791 PolarHBondContact NZ-O 3.3Å; K624-E791 IonicContact NZ-OE1 3.7Å; K624-E791 PolarHBondContact NZ-OE1 2.96Å; L703-E791 HydrophobicContact CD2-CG 3.96Å; G704-E791 PolarHBondContact N-OE1 3.13Å; Y705-E791 VanDerWaalsContact CD2-OE1 3.26Å; Y705-E791 WeakPolarHBondContact CD2-OE1 3.28Å; Y705-E791 PolarHBondContact N-OE1 3.33Å; Y705-E791 VanDerWaalsContact N-OE1 3.11Å; Y705-E791 PolarHBondContact N-OE2 2.91Å; T706-E791 WeakPolarHBondContact CB-OE2 3.3Å; T706-E791 PolarHBondContact N-OE2 3.25Å; T706-E791 PolarHBondContact OG1-OE2 2.99Å; L787-E791 WeakPolarHBondContact O-CB 3.15Å; L787-E791 PolarHBondContact O-N 3.42Å; I788-E791 PolarHBondContact O-N 3.09Å
792L82.2Confident83.3Confident16 Ų1642.6 Ų42.68%0.08421%0.207CC..Hα-helixtrans-86.1-32.4167.6-178.367.1000111.7F437 P438 D621 K624 I788 R789 M790 Q794F437-L792 HydrophobicContact CD1-CD2 3.93Å; F437-L792 HydrophobicContact CE1-CD2 4.43Å; P438-L792 HydrophobicContact CG-CG 4.26Å; D621-L792 HydrophobicContact CB-CD1 4.47Å; K624-L792 HydrophobicContact CB-CD1 3.84Å; I788-L792 WeakPolarHBondContact O-CB 3.18Å; I788-L792 PolarHBondContact O-N 2.75Å; R789-L792 PolarHBondContact O-N 2.96Å; M790-L792 VanDerWaalsContact C-N 3.25Å; M790-L792 PolarHBondContact O-N 3.33Å; L792-Q794 PolarHBondContact O-N 2.95Å
793Q77.7Confident83Confident80 Ų8048.4 Ų48.437%0.37424%0.237SC..THydrogen-bonded Turntrans-80.76172.9-69.1170.7-45.100113.4R789 M790 E795R789-Q793 WeakPolarHBondContact O-CG 3.39Å; R789-Q793 PolarHBondContact O-N 2.83Å; R789-Q793 PolarHBondContact O-OE1 2.92Å; M790-Q793 CarbonylContact O-C 3.54Å; M790-Q793 WeakPolarHBondContact O-CA 3.39Å; M790-Q793 PolarHBondContact O-N 3.23Å; Q793-E795 PolarHBondContact O-N 3.21Å
794Q80.3Confident82.8Confident85 Ų8556 Ų5640%0.39727%0.273SS..THydrogen-bonded Turntrans64.110.3-176.1-52.1-174.3-33.600115.6Y705 M790 L792Y705-Q794 HydrophobicContact CD1-CB 4.39Å; Y705-Q794 HydrophobicContact CD2-CB 4.29Å; Y705-Q794 HydrophobicContact CE1-CB 4.08Å; Y705-Q794 HydrophobicContact CE1-CG 4.36Å; Y705-Q794 HydrophobicContact CE2-CB 3.98Å; Y705-Q794 HydrophobicContact CE2-CG 3.82Å; Y705-Q794 HydrophobicContact CG-CB 4.49Å; Y705-Q794 PolarHBondContact OH-NE2 3.44Å; Y705-Q794 VanDerWaalsContact OH-NE2 3.12Å; M790-Q794 PolarHBondContact O-N 3.23Å; L792-Q794 PolarHBondContact O-N 2.95Å
795E79.2Confident82.3Confident113 Ų11358.4 Ų58.453%0.52829%0.287SS..  trans-88.8117179.7-64-156.2169.100112.2M790 Q793 L797M790-E795 CarbonylContact C-O 3.54Å; M790-E795 HydrophobicContact CB-CB 4.49Å; M790-E795 WeakPolarHBondContact CB-O 3.28Å; M790-E795 PolarHBondContact O-N 3.09Å; M790-E795 HydrophobicContact SD-CB 4.45Å; Q793-E795 PolarHBondContact O-N 3.21Å; E795-L797 PolarHBondContact O-N 2.98Å
796G76.5Confident82.1Confident37 Ų3758.8 Ų58.838%0.38129%0.291SS..  trans-82.8106.9-178.700000113.5Y705 T798Y705-G796 VanDerWaalsContact O-CA 3.31Å; Y705-G796 WeakPolarHBondContact O-CA 3.33Å; G796-T798 PolarHBondContact O-N 3.11Å
797L80.2Confident81.8Confident8 Ų861.1 Ų61.14%0.04231%0.307CS..  trans-60.4136.5178-84.4168.9000113.2T706 F710 L787 M790 E795T706-L797 HydrophobicContact CG2-CB 4.5Å; F710-L797 HydrophobicContact CD1-CB 3.99Å; F710-L797 HydrophobicContact CE1-CB 3.63Å; F710-L797 HydrophobicContact CE1-CD1 4.13Å; F710-L797 HydrophobicContact CE1-CG 4.49Å; F710-L797 HydrophobicContact CZ-CB 4.27Å; F710-L797 HydrophobicContact CZ-CD1 4.49Å; L787-L797 HydrophobicContact CB-CD1 4.16Å; L787-L797 HydrophobicContact CG-CD1 4.17Å; M790-L797 HydrophobicContact CB-CD1 4.37Å; M790-L797 HydrophobicContact CB-CG 4.3Å; M790-L797 HydrophobicContact CG-CD1 4.08Å; M790-L797 HydrophobicContact CG-CD2 4.45Å; M790-L797 HydrophobicContact CG-CG 4.08Å; E795-L797 PolarHBondContact O-N 2.98Å
798T82.3Confident81.1Confident57 Ų5764.8 Ų64.835%0.3534%0.338SS..  trans-134.4152.1174.271.90000112.1G796 R800 H801 L802G796-T798 PolarHBondContact O-N 3.11Å; T798-R800 PolarHBondContact O-N 3.38Å; T798-R800 VanDerWaalsContact O-N 3.13Å; T798-H801 PolarHBondContact O-N 3.45Å; T798-H801 PolarHBondContact OG1-N 2.99Å; T798-L802 PolarHBondContact O-N 2.75Å; T798-L802 VanDerWaalsContact O-N 3.14Å
799V80.8Confident80.5Confident53 Ų5374.7 Ų74.732%0.32137%0.374SS..Hα-helixtrans-54.2-34177.6-178.70000112.4F710 I803F710-V799 HydrophobicContact CB-CG2 4.4Å; F710-V799 HydrophobicContact CD2-CG2 3.81Å; V799-I803 HydrophobicContact CG1-CD1 3.9Å; V799-I803 WeakPolarHBondContact O-CD1 3.45Å; V799-I803 VanDerWaalsContact O-CG1 3.27Å; V799-I803 WeakPolarHBondContact O-CG1 3.37Å; V799-I803 PolarHBondContact O-N 2.95Å
800R83.5Confident80.5Confident207 Ų20771.5 Ų71.578%0.78136%0.364SS*.Hα-helixtrans-69.8-48.8-179.8-71.4-176.8179.1170.1-0.2112.1T798 L802 I803 Q804T798-R800 PolarHBondContact O-N 3.38Å; T798-R800 VanDerWaalsContact O-N 3.13Å; R800-L802 VanDerWaalsContact C-N 3.29Å; R800-L802 PolarHBondContact O-N 3.2Å; R800-I803 PolarHBondContact O-N 3.27Å; R800-Q804 WeakPolarHBondContact O-CG 3.36Å; R800-Q804 PolarHBondContact O-N 3.06Å
801H79.5Confident80.5Confident82 Ų8272.4 Ų72.438%0.3837%0.368SS..Hα-helixtrans-58.7-44.6178-17994.2000110.6T798 I803 Q804 V805T798-H801 PolarHBondContact O-N 3.45Å; T798-H801 PolarHBondContact OG1-N 2.99Å; H801-I803 VanDerWaalsContact C-N 3.32Å; H801-I803 PolarHBondContact O-N 3.48Å; H801-Q804 WeakPolarHBondContact O-CA 3.47Å; H801-Q804 WeakPolarHBondContact O-CB 3.14Å; H801-Q804 PolarHBondContact O-N 3Å; H801-V805 WeakPolarHBondContact NE2-CG2 3.47Å; H801-V805 PolarHBondContact O-N 2.95Å
802L80.1Confident80.6Confident9 Ų972.2 Ų72.25%0.04737%0.367CS..Hα-helixtrans-62.1-36.2-179.6-164.164.1000113.6F710 T798 R800 Q804 G806 S810 C812 A813 L816F710-L802 HydrophobicContact CE2-CD2 3.86Å; F710-L802 HydrophobicContact CZ-CD2 4.2Å; T798-L802 PolarHBondContact O-N 2.75Å; T798-L802 VanDerWaalsContact O-N 3.14Å; R800-L802 VanDerWaalsContact C-N 3.29Å; R800-L802 PolarHBondContact O-N 3.2Å; L802-Q804 VanDerWaalsContact C-N 3.32Å; L802-G806 PolarHBondContact O-N 3.13Å; L802-G806 VanDerWaalsContact O-N 3.09Å; L802-S810 WeakPolarHBondContact CD1-OG 3.14Å; L802-C812 HydrophobicContact CD1-CB 3.61Å; L802-C812 HydrophobicContact CD2-CB 3.99Å; L802-C812 HydrophobicContact CG-CB 4.47Å; L802-A813 HydrophobicContact CD1-CB 3.77Å; L802-A813 HydrophobicContact CG-CB 3.91Å; L802-L816 HydrophobicContact CD2-CD1 3.58Å
803I80.8Confident80.8Confident133 Ų13372 Ų7268%0.68237%0.368SS*.Hα-helixtrans-70.3-28174.4-70167.4000111.9V799 R800 H801V799-I803 HydrophobicContact CG1-CD1 3.9Å; V799-I803 WeakPolarHBondContact O-CD1 3.45Å; V799-I803 VanDerWaalsContact O-CG1 3.27Å; V799-I803 WeakPolarHBondContact O-CG1 3.37Å; V799-I803 PolarHBondContact O-N 2.95Å; R800-I803 PolarHBondContact O-N 3.27Å; H801-I803 VanDerWaalsContact C-N 3.32Å; H801-I803 PolarHBondContact O-N 3.48Å
804Q84Confident81.3Confident160 Ų16069.2 Ų69.275%0.74836%0.355SS*.Hα-helixtrans-80.6-37.5178.3-69.1171-51.200112.7R800 H801 L802R800-Q804 WeakPolarHBondContact O-CG 3.36Å; R800-Q804 PolarHBondContact O-N 3.06Å; H801-Q804 WeakPolarHBondContact O-CA 3.47Å; H801-Q804 WeakPolarHBondContact O-CB 3.14Å; H801-Q804 PolarHBondContact O-N 3Å; L802-Q804 VanDerWaalsContact C-N 3.32Å
805V80.1Confident81.7Confident51 Ų5165.2 Ų65.231%0.30934%0.336SS..Hα-helixtrans-75.8-42.2178.5176.10000111.9H801 R809H801-V805 WeakPolarHBondContact NE2-CG2 3.47Å; H801-V805 PolarHBondContact O-N 2.95Å; V805-R809 HydrophobicContact CG1-CB 3.55Å
806G82.9Confident82.2Confident14 Ų1461.8 Ų61.814%0.14432%0.321CS..  trans77170.1175.800000115.4L802 A808 R809 S810L802-G806 PolarHBondContact O-N 3.13Å; L802-G806 VanDerWaalsContact O-N 3.09Å; G806-A808 VanDerWaalsContact C-N 3.3Å; G806-A808 PolarHBondContact O-N 3.41Å; G806-R809 PolarHBondContact O-N 3.4Å; G806-S810 PolarHBondContact O-N 2.66Å; G806-S810 PolarHBondContact O-OG 3.13Å
807P78.7Confident82.9Confident60 Ų6064 Ų6439%0.3932%0.324SS..THydrogen-bonded Turntrans-72.4-16.4-168.729.7-36.7000114.7R809 A813 M814 L817P807-R809 VanDerWaalsContact C-N 3.29Å; P807-A813 HydrophobicContact CB-CB 4.27Å; P807-M814 HydrophobicContact CB-CB 4.46Å; P807-M814 WeakPolarHBondContact O-CE 3.47Å; P807-L817 HydrophobicContact CB-CD2 4.27Å; P807-L817 HydrophobicContact CG-CD2 4.42Å
808A74Confident83.4Confident77 Ų7763.6 Ų63.664%0.63632%0.322SS*.THydrogen-bonded Turntrans-83-4.7177.400000113.6G806G806-A808 VanDerWaalsContact C-N 3.3Å; G806-A808 PolarHBondContact O-N 3.41Å
809R74.6Confident83.9Confident217 Ų21761 Ų6182%0.81931%0.306SS*.THydrogen-bonded Turntrans-136.5-5.9-175.7-73.1-175.2176.2-171.6-1.8114.9V805 G806 P807V805-R809 HydrophobicContact CG1-CB 3.55Å; G806-R809 PolarHBondContact O-N 3.4Å; P807-R809 VanDerWaalsContact C-N 3.29Å
810S82.7Confident84.4Confident10 Ų1063.4 Ų63.47%0.0732%0.316CS..  trans-138.9128.6176.6520000111.4E786 L802 G806 C812 A813 M814E786-S810 VanDerWaalsContact OE1-CA 3.29Å; E786-S810 WeakPolarHBondContact OE1-CA 3.27Å; L802-S810 WeakPolarHBondContact CD1-OG 3.14Å; G806-S810 PolarHBondContact O-N 2.66Å; G806-S810 PolarHBondContact O-OG 3.13Å; S810-C812 VanDerWaalsContact C-N 3.31Å; S810-C812 PolarHBondContact O-N 3.15Å; S810-A813 PolarHBondContact O-N 2.99Å; S810-A813 VanDerWaalsContact O-N 3.16Å; S810-A813 WeakPolarHBondContact OG-CB 3.36Å; S810-M814 PolarHBondContact O-N 3Å; S810-M814 VanDerWaalsContact O-N 3.15Å
811E84.3Confident84.8Confident48 Ų4856.3 Ų56.322%0.22429%0.294CS..Hα-helixtrans-65.3-36.7-177-63.7163.1-123.100110.6K782 E786 R789 A813 M814 A815K782-E811 HydrophobicContact CB-CB 4.38Å; E786-E811 HydrophobicContact CB-CB 3.99Å; E786-E811 HydrophobicContact CB-CG 4.5Å; E786-E811 VanDerWaalsContact CD-N 3.35Å; E786-E811 PolarHBondContact OE1-N 3.23Å; E786-E811 VanDerWaalsContact OE1-N 3.07Å; E786-E811 PolarHBondContact OE2-N 3.31Å; R789-E811 IonicContact CZ-OE1 2.69Å; R789-E811 VanDerWaalsContact CZ-OE1 3.23Å; R789-E811 IonicContact NH1-OE1 3.97Å; R789-E811 PolarHBondContact NH1-OE1 3.19Å; R789-E811 IonicContact NH2-OE1 3.36Å; R789-E811 PolarHBondContact NH2-OE1 3.39Å; E811-A813 VanDerWaalsContact C-N 3.31Å; E811-A813 PolarHBondContact O-N 3.21Å; E811-M814 PolarHBondContact O-N 3.3Å; E811-A815 VanDerWaalsContact O-CB 3.24Å; E811-A815 WeakPolarHBondContact O-CB 3.27Å; E811-A815 PolarHBondContact O-N 2.73Å
812C87.4Confident85.4Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-60.7-35.8173.5-71.10000112.8G783 E786 L802 S810 L816G783-C812 PolarHBondContact O-SG 3.5Å; E786-C812 WeakPolarHBondContact OE2-CB 3.07Å; E786-C812 PolarHBondContact OE2-N 3.33Å; E786-C812 PolarHBondContact OE2-SG 3.15Å; L802-C812 HydrophobicContact CD1-CB 3.61Å; L802-C812 HydrophobicContact CD2-CB 3.99Å; L802-C812 HydrophobicContact CG-CB 4.47Å; S810-C812 VanDerWaalsContact C-N 3.31Å; S810-C812 PolarHBondContact O-N 3.15Å; C812-L816 WeakPolarHBondContact O-CG 3.5Å; C812-L816 PolarHBondContact O-N 2.85Å
813A87.4Confident86.1Confident12 Ų1254.8 Ų54.810%0.09929%0.288CS..Hα-helixtrans-77.4-38.918000000111L802 P807 S810 E811 A815 L817L802-A813 HydrophobicContact CD1-CB 3.77Å; L802-A813 HydrophobicContact CG-CB 3.91Å; P807-A813 HydrophobicContact CB-CB 4.27Å; S810-A813 PolarHBondContact O-N 2.99Å; S810-A813 VanDerWaalsContact O-N 3.16Å; S810-A813 WeakPolarHBondContact OG-CB 3.36Å; E811-A813 VanDerWaalsContact C-N 3.31Å; E811-A813 PolarHBondContact O-N 3.21Å; A813-A815 VanDerWaalsContact C-N 3.31Å; A813-L817 WeakPolarHBondContact O-CB 3.43Å; A813-L817 PolarHBondContact O-N 3.43Å; A813-L817 VanDerWaalsContact O-N 3.11Å
814M88.1Confident86.7Confident21 Ų2153.5 Ų53.510%0.10328%0.282CS..Hα-helixtrans-62.1-41.8169.5-165.6171.4-59.200110.6V766 F770 P807 S810 E811 L817 M818V766-M814 HydrophobicContact CG1-CE 4.04Å; F770-M814 HydrophobicContact CB-SD 4.44Å; P807-M814 HydrophobicContact CB-CB 4.46Å; P807-M814 WeakPolarHBondContact O-CE 3.47Å; S810-M814 PolarHBondContact O-N 3Å; S810-M814 VanDerWaalsContact O-N 3.15Å; E811-M814 PolarHBondContact O-N 3.3Å; M814-L817 WeakPolarHBondContact O-CB 3.39Å; M814-L817 PolarHBondContact O-N 3.08Å; M814-M818 HydrophobicContact CG-CE 4.27Å; M814-M818 HydrophobicContact CG-CG 4.45Å; M814-M818 WeakPolarHBondContact O-CG 3.47Å; M814-M818 PolarHBondContact O-N 2.95Å
815A89.8Confident87.1Confident1 Ų148.6 Ų48.61%0.00826%0.26CS..Hα-helixtrans-62.7-47.1177.800000113.3Y714 A779 E811 A813 L817 M818 F819Y714-A815 HydrophobicContact CE2-CB 4.37Å; A779-A815 HydrophobicContact CB-CB 4.23Å; A779-A815 WeakPolarHBondContact O-CB 3.08Å; E811-A815 VanDerWaalsContact O-CB 3.24Å; E811-A815 WeakPolarHBondContact O-CB 3.27Å; E811-A815 PolarHBondContact O-N 2.73Å; A813-A815 VanDerWaalsContact C-N 3.31Å; A815-L817 VanDerWaalsContact C-N 3.28Å; A815-L817 PolarHBondContact O-N 3.28Å; A815-M818 PolarHBondContact O-N 3.43Å; A815-F819 HydrophobicContact CB-CE1 4.39Å; A815-F819 HydrophobicContact CB-CZ 4.15Å; A815-F819 VanDerWaalsContact O-CD1 3.24Å; A815-F819 WeakPolarHBondContact O-CD1 3.39Å; A815-F819 WeakPolarHBondContact O-CG 3.37Å; A815-F819 PolarHBondContact O-N 3.43Å
816L89.5Confident87.7Confident40 Ų4047 Ų4721%0.20925%0.249CC..Hα-helixtrans-62-36175-75.2-179.2000112.4F713 Y714 S717 L802 C812 F819 L820F713-L816 HydrophobicContact CE1-CD1 4.25Å; F713-L816 HydrophobicContact CE1-CD2 4.33Å; Y714-L816 HydrophobicContact CD2-CD2 3.72Å; Y714-L816 HydrophobicContact CD2-CG 4.12Å; Y714-L816 HydrophobicContact CE2-CD2 4.21Å; Y714-L816 HydrophobicContact CE2-CG 4.34Å; S717-L816 WeakPolarHBondContact OG-CD2 3.36Å; L802-L816 HydrophobicContact CD2-CD1 3.58Å; C812-L816 WeakPolarHBondContact O-CG 3.5Å; C812-L816 PolarHBondContact O-N 2.85Å; L816-F819 HydrophobicContact CD2-CD2 4.03Å; L816-F819 HydrophobicContact CD2-CE2 4.26Å; L816-L820 PolarHBondContact O-N 3.38Å
817L89.8Confident88.1Confident84 Ų8447.5 Ų47.544%0.4425%0.252SS..Hα-helixtrans-66.7-43.7174.2-177.465.3000111.2P807 A813 M814 A815 L820 L821P807-L817 HydrophobicContact CB-CD2 4.27Å; P807-L817 HydrophobicContact CG-CD2 4.42Å; A813-L817 WeakPolarHBondContact O-CB 3.43Å; A813-L817 PolarHBondContact O-N 3.43Å; A813-L817 VanDerWaalsContact O-N 3.11Å; M814-L817 WeakPolarHBondContact O-CB 3.39Å; M814-L817 PolarHBondContact O-N 3.08Å; A815-L817 VanDerWaalsContact C-N 3.28Å; A815-L817 PolarHBondContact O-N 3.28Å; L817-L820 PolarHBondContact O-N 3.45Å; L817-L821 PolarHBondContact O-N 3.2Å
818M91.1Very high88.7Confident0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-68.1-38.6177.6-69.2-40.610700112.1F770 D773 A779 M814 A815 L820 L821 D822F770-M818 HydrophobicContact CD2-CE 3.55Å; F770-M818 HydrophobicContact CD2-SD 4.08Å; F770-M818 HydrophobicContact CE2-CE 3.38Å; F770-M818 HydrophobicContact CE2-SD 3.93Å; F770-M818 HydrophobicContact CZ-CE 4.29Å; F770-M818 HydrophobicContact CZ-SD 4.35Å; D773-M818 HydrophobicContact CB-CG 3.78Å; D773-M818 WeakPolarHBondContact O-CB 3.5Å; A779-M818 HydrophobicContact CB-CB 4.07Å; M814-M818 HydrophobicContact CG-CE 4.27Å; M814-M818 HydrophobicContact CG-CG 4.45Å; M814-M818 WeakPolarHBondContact O-CG 3.47Å; M814-M818 PolarHBondContact O-N 2.95Å; A815-M818 PolarHBondContact O-N 3.43Å; M818-L820 PolarHBondContact O-N 2.87Å; M818-L821 CarbonylContact O-C 3.54Å; M818-L821 PolarHBondContact O-N 2.87Å; M818-L821 VanDerWaalsContact O-N 3.11Å; M818-L821 HydrophobicContact SD-CD1 4.2Å; M818-D822 WeakPolarHBondContact O-CB 3.27Å; M818-D822 PolarHBondContact O-N 3.03Å
819F93.4Very high89.6Confident3 Ų348.2 Ų48.21%0.01324%0.244CC..Hα-helixtrans-58.2-36.5174-61.4-17.7000112.4Y714 S717 F718 F776 A779 F780 A815 L816 L823Y714-F819 HydrophobicContact CD2-CE2 4.17Å; Y714-F819 HydrophobicContact CE1-CE2 4.26Å; Y714-F819 HydrophobicContact CE1-CZ 4.29Å; Y714-F819 AromaticContact CE2-CE2 3.69Å; Y714-F819 HydrophobicContact CE2-CE2 3.69Å; Y714-F819 HydrophobicContact CE2-CZ 4.11Å; Y714-F819 AromaticContact CZ-CE2 3.74Å; Y714-F819 AromaticContact CZ-CZ 3.74Å; S717-F819 WeakPolarHBondContact OG-CD2 3.42Å; F718-F819 HydrophobicContact CB-CD2 4.28Å; F718-F819 HydrophobicContact CB-CE2 3.94Å; F718-F819 HydrophobicContact CB-CZ 4.11Å; F718-F819 HydrophobicContact CD2-CE1 4.03Å; F718-F819 HydrophobicContact CD2-CZ 4.17Å; F776-F819 WeakPolarHBondContact O-CE1 3.46Å; A779-F819 HydrophobicContact CB-CD1 4.49Å; A779-F819 HydrophobicContact CB-CE1 4.06Å; F780-F819 HydrophobicContact CB-CE1 3.81Å; F780-F819 HydrophobicContact CB-CZ 3.78Å; F780-F819 AromaticContact CD2-CZ 3.89Å; F780-F819 HydrophobicContact CD2-CZ 3.89Å; F780-F819 HydrophobicContact CG-CZ 4.34Å; A815-F819 HydrophobicContact CB-CE1 4.39Å; A815-F819 HydrophobicContact CB-CZ 4.15Å; A815-F819 VanDerWaalsContact O-CD1 3.24Å; A815-F819 WeakPolarHBondContact O-CD1 3.39Å; A815-F819 WeakPolarHBondContact O-CG 3.37Å; A815-F819 PolarHBondContact O-N 3.43Å; L816-F819 HydrophobicContact CD2-CD2 4.03Å; L816-F819 HydrophobicContact CD2-CE2 4.26Å; F819-L823 WeakPolarHBondContact O-CB 3.5Å; F819-L823 PolarHBondContact O-N 3.29Å
820L91.4Very high90.1Very high103 Ų10337.9 Ų37.954%0.53921%0.205SC..Hα-helixtrans-73.2-40.1176.3-171.9151.1000111.4L816 L817 M818 L824L816-L820 PolarHBondContact O-N 3.38Å; L817-L820 PolarHBondContact O-N 3.45Å; M818-L820 PolarHBondContact O-N 2.87Å; L820-L824 HydrophobicContact CD2-CD1 3.97Å; L820-L824 WeakPolarHBondContact O-CG 3.44Å; L820-L824 PolarHBondContact O-N 3.14Å
821L92.5Very high90.2Very high58 Ų5840.5 Ų40.530%0.30422%0.218SC..Hα-helixtrans-63-49.1175.1-169.5155.5000111.1F770 L774 L817 M818 L824 L825F770-L821 HydrophobicContact CZ-CD1 4.02Å; L774-L821 HydrophobicContact CD1-CD2 3.62Å; L817-L821 PolarHBondContact O-N 3.2Å; M818-L821 CarbonylContact O-C 3.54Å; M818-L821 PolarHBondContact O-N 2.87Å; M818-L821 VanDerWaalsContact O-N 3.11Å; M818-L821 HydrophobicContact SD-CD1 4.2Å; L821-L824 CarbonylContact O-C 3.52Å; L821-L824 WeakPolarHBondContact O-CB 3.33Å; L821-L824 PolarHBondContact O-N 3.09Å; L821-L825 HydrophobicContact CD2-CD2 4.38Å; L821-L825 WeakPolarHBondContact O-CB 3.48Å; L821-L825 PolarHBondContact O-N 2.93Å
822D92.1Very high90.3Very high0 Ų040.6 Ų40.60%023%0.227CC..Hα-helixtrans-69.9-37.7-179.4-80.7-16.9000113C721 F776 M818 L824 L825 Y826C721-D822 WeakPolarHBondContact SG-CB 3.34Å; F776-D822 WeakPolarHBondContact CA-OD2 3.25Å; F776-D822 HydrophobicContact CB-CB 4.19Å; F776-D822 VanDerWaalsContact CB-OD2 3.3Å; F776-D822 WeakPolarHBondContact CB-OD2 3.24Å; F776-D822 PolarHBondContact N-OD2 3.4Å; M818-D822 WeakPolarHBondContact O-CB 3.27Å; M818-D822 PolarHBondContact O-N 3.03Å; D822-L824 PolarHBondContact O-N 3.44Å; D822-L825 PolarHBondContact O-N 3.33Å; D822-Y826 HydrophobicContact CB-CD2 4.29Å; D822-Y826 HydrophobicContact CB-CE1 4.4Å; D822-Y826 HydrophobicContact CB-CE2 3.78Å; D822-Y826 WeakPolarHBondContact O-CB 3.49Å; D822-Y826 WeakPolarHBondContact O-CD2 3.34Å; D822-Y826 VanDerWaalsContact O-CG 3.31Å; D822-Y826 PolarHBondContact O-N 3.37Å; D822-Y826 PolarHBondContact OD2-OH 3.28Å
823L93.8Very high90.1Very high59 Ų5944 Ų4431%0.30924%0.24SC..Hα-helixtrans-52.5-44.9168.6167.459.3000110.7L720 C721 S724 F819 A827L720-L823 HydrophobicContact CB-CD2 4.38Å; C721-L823 HydrophobicContact CB-CB 4.46Å; S724-L823 PolarHBondContact OG-O 3.46Å; F819-L823 WeakPolarHBondContact O-CB 3.5Å; F819-L823 PolarHBondContact O-N 3.29Å; L823-A827 WeakPolarHBondContact O-CB 3.4Å; L823-A827 PolarHBondContact O-N 3.01Å
824L93.8Very high89.6Confident105 Ų10547.2 Ų47.255%0.5525%0.253SS..Hα-helixtrans-72.8-43.5175.4-66.9172.4000112.1L820 L821 D822 A827 V828L820-L824 HydrophobicContact CD2-CD1 3.97Å; L820-L824 WeakPolarHBondContact O-CG 3.44Å; L820-L824 PolarHBondContact O-N 3.14Å; L821-L824 CarbonylContact O-C 3.52Å; L821-L824 WeakPolarHBondContact O-CB 3.33Å; L821-L824 PolarHBondContact O-N 3.09Å; D822-L824 PolarHBondContact O-N 3.44Å; L824-A827 PolarHBondContact O-N 3.42Å; L824-V828 VanDerWaalsContact O-CB 3.31Å; L824-V828 WeakPolarHBondContact O-CB 3.36Å; L824-V828 VanDerWaalsContact O-CG2 3.22Å; L824-V828 WeakPolarHBondContact O-CG2 3.48Å; L824-V828 PolarHBondContact O-N 3.04Å
825L92.6Very high89.1Confident57 Ų5753.5 Ų53.530%0.29828%0.275SS..Hα-helixtrans-62.4-53.2-177.3-177.360.2000111.6L774 L821 D822 A827 V828 I829L774-L825 HydrophobicContact CD1-CD2 3.83Å; L774-L825 HydrophobicContact CG-CD2 4.41Å; L821-L825 HydrophobicContact CD2-CD2 4.38Å; L821-L825 WeakPolarHBondContact O-CB 3.48Å; L821-L825 PolarHBondContact O-N 2.93Å; D822-L825 PolarHBondContact O-N 3.33Å; L825-A827 VanDerWaalsContact C-N 3.3Å; L825-A827 PolarHBondContact O-N 3.48Å; L825-V828 CarbonylContact O-C 3.5Å; L825-V828 PolarHBondContact O-N 3.49Å; L825-V828 VanDerWaalsContact O-N 3.16Å; L825-I829 HydrophobicContact CD1-CD1 3.91Å; L825-I829 HydrophobicContact CD1-CG1 4.31Å; L825-I829 HydrophobicContact CG-CD1 3.84Å; L825-I829 WeakPolarHBondContact O-CB 3.38Å; L825-I829 VanDerWaalsContact O-CG1 3.28Å; L825-I829 WeakPolarHBondContact O-CG1 3.38Å; L825-I829 PolarHBondContact O-N 3.34Å
826Y92.9Very high88.5Confident19 Ų1963.1 Ų63.18%0.07531%0.313CS..Hα-helixtrans-66.5-32.5179.5-54.5-23000111.6F725 M728 L774 F776 D822 G830F725-Y826 HydrophobicContact CB-CD2 3.72Å; F725-Y826 HydrophobicContact CB-CE2 4.09Å; F725-Y826 HydrophobicContact CD2-CD2 4.3Å; F725-Y826 HydrophobicContact CD2-CE2 4.16Å; M728-Y826 HydrophobicContact CE-CD1 4.16Å; M728-Y826 HydrophobicContact CE-CG 4.42Å; M728-Y826 HydrophobicContact SD-CD1 4.07Å; M728-Y826 HydrophobicContact SD-CG 4.43Å; L774-Y826 PolarHBondContact O-OH 2.8Å; F776-Y826 HydrophobicContact CB-CE2 4.27Å; F776-Y826 AromaticContact CD1-CE2 3.62Å; F776-Y826 HydrophobicContact CD1-CE2 3.62Å; F776-Y826 AromaticContact CD1-CZ 4Å; F776-Y826 WeakPolarHBondContact CD1-OH 3.49Å; F776-Y826 HydrophobicContact CE1-CE2 4.19Å; F776-Y826 HydrophobicContact CG-CE2 4.04Å; D822-Y826 HydrophobicContact CB-CD2 4.29Å; D822-Y826 HydrophobicContact CB-CE1 4.4Å; D822-Y826 HydrophobicContact CB-CE2 3.78Å; D822-Y826 WeakPolarHBondContact O-CB 3.49Å; D822-Y826 WeakPolarHBondContact O-CD2 3.34Å; D822-Y826 VanDerWaalsContact O-CG 3.31Å; D822-Y826 PolarHBondContact O-N 3.37Å; D822-Y826 PolarHBondContact OD2-OH 3.28Å; Y826-G830 PolarHBondContact O-N 3.17Å
827A90Very high87.6Confident24 Ų2464.8 Ų64.820%0.19832%0.319CS..Hα-helixtrans-67.3-42.6172.200000111.7S724 L823 L824 L825 L831S724-A827 WeakPolarHBondContact OG-CB 3.48Å; S724-A827 PolarHBondContact OG-N 2.9Å; L823-A827 WeakPolarHBondContact O-CB 3.4Å; L823-A827 PolarHBondContact O-N 3.01Å; L824-A827 PolarHBondContact O-N 3.42Å; L825-A827 VanDerWaalsContact C-N 3.3Å; L825-A827 PolarHBondContact O-N 3.48Å; A827-L831 VanDerWaalsContact O-CB 3.28Å; A827-L831 WeakPolarHBondContact O-CB 3.48Å; A827-L831 WeakPolarHBondContact O-CD1 3.48Å; A827-L831 VanDerWaalsContact O-CG 3.22Å; A827-L831 WeakPolarHBondContact O-CG 3.19Å; A827-L831 PolarHBondContact O-N 3.39Å
828V92.3Very high85.9Confident89 Ų8966.9 Ų66.954%0.53932%0.324SS..Hα-helixtrans-66.9-44.2176.7166.50000110.8L824 L825 L831 A832L824-V828 VanDerWaalsContact O-CB 3.31Å; L824-V828 WeakPolarHBondContact O-CB 3.36Å; L824-V828 VanDerWaalsContact O-CG2 3.22Å; L824-V828 WeakPolarHBondContact O-CG2 3.48Å; L824-V828 PolarHBondContact O-N 3.04Å; L825-V828 CarbonylContact O-C 3.5Å; L825-V828 PolarHBondContact O-N 3.49Å; L825-V828 VanDerWaalsContact O-N 3.16Å; V828-L831 PolarHBondContact O-N 2.88Å; V828-A832 WeakPolarHBondContact O-CA 3.29Å; V828-A832 WeakPolarHBondContact O-CB 3.18Å; V828-A832 PolarHBondContact O-N 2.74Å
829I91.6Very high83.8Confident62 Ų6271.9 Ų71.932%0.31836%0.355SS..Hα-helixtrans-62.6-45.8175.3-66.3166.4000110.2M728 F732 L825 L831 A832 Y833M728-I829 HydrophobicContact CG-CB 4.4Å; M728-I829 HydrophobicContact CG-CG2 3.9Å; M728-I829 HydrophobicContact SD-CB 4.03Å; M728-I829 HydrophobicContact SD-CD1 4.17Å; M728-I829 HydrophobicContact SD-CG2 3.68Å; F732-I829 HydrophobicContact CZ-CG2 4.06Å; L825-I829 HydrophobicContact CD1-CD1 3.91Å; L825-I829 HydrophobicContact CD1-CG1 4.31Å; L825-I829 HydrophobicContact CG-CD1 3.84Å; L825-I829 WeakPolarHBondContact O-CB 3.38Å; L825-I829 VanDerWaalsContact O-CG1 3.28Å; L825-I829 WeakPolarHBondContact O-CG1 3.38Å; L825-I829 PolarHBondContact O-N 3.34Å; I829-L831 PolarHBondContact O-N 2.98Å; I829-A832 PolarHBondContact O-N 3.34Å; I829-Y833 WeakPolarHBondContact O-CB 3.46Å; I829-Y833 PolarHBondContact O-N 3.47Å
830G86.2Confident81.8Confident0 Ų077 Ų770%038%0.382CS..Hα-helixtrans-58.2-47.517500000112.6N731 Y826 Q834N731-G830 WeakPolarHBondContact ND2-CA 3.48Å; Y826-G830 PolarHBondContact O-N 3.17Å; G830-Q834 WeakPolarHBondContact O-CB 3.34Å; G830-Q834 PolarHBondContact O-N 3.43Å
831L84.3Confident79.9Confident66 Ų6675.7 Ų75.735%0.34638%0.376SS..Hα-helixtrans-66.6-37.6175.7-75.5166.4000112.8Y727 A827 V828 I829 R835Y727-L831 HydrophobicContact CE1-CG 4.16Å; Y727-L831 VanDerWaalsContact OH-CD2 3.31Å; Y727-L831 WeakPolarHBondContact OH-CD2 3.18Å; A827-L831 VanDerWaalsContact O-CB 3.28Å; A827-L831 WeakPolarHBondContact O-CB 3.48Å; A827-L831 WeakPolarHBondContact O-CD1 3.48Å; A827-L831 VanDerWaalsContact O-CG 3.22Å; A827-L831 WeakPolarHBondContact O-CG 3.19Å; A827-L831 PolarHBondContact O-N 3.39Å; V828-L831 PolarHBondContact O-N 2.88Å; I829-L831 PolarHBondContact O-N 2.98Å; L831-R835 WeakPolarHBondContact O-CB 3.43Å; L831-R835 WeakPolarHBondContact O-CG 3.44Å; L831-R835 PolarHBondContact O-N 3.4Å
832A86.6Confident78.2Confident50 Ų5077.4 Ų77.441%0.41338%0.379SS..Hα-helixtrans-70.3-47.1-179.900000110.9V828 I829 Q834 R835 Y836V828-A832 WeakPolarHBondContact O-CA 3.29Å; V828-A832 WeakPolarHBondContact O-CB 3.18Å; V828-A832 PolarHBondContact O-N 2.74Å; I829-A832 PolarHBondContact O-N 3.34Å; A832-Q834 PolarHBondContact O-N 2.97Å; A832-R835 CarbonylContact O-C 3.6Å; A832-R835 WeakPolarHBondContact O-CA 3.25Å; A832-R835 WeakPolarHBondContact O-CB 3.25Å; A832-R835 PolarHBondContact O-N 3.1Å; A832-Y836 WeakPolarHBondContact O-CB 3.22Å; A832-Y836 PolarHBondContact O-N 3.38Å
833Y84.1Confident76.6Confident72 Ų7280.1 Ų80.128%0.28240%0.398SS..Hα-helixtrans-63.8-40.4174-175.1-87.3000111.5N731 F732 I829 R835 Y836 K837N731-Y833 HydrophobicContact CB-CD1 3.85Å; N731-Y833 HydrophobicContact CB-CE1 4.36Å; N731-Y833 VanDerWaalsContact O-CE1 3.32Å; N731-Y833 WeakPolarHBondContact O-CE1 3.48Å; F732-Y833 AromaticContact CD1-CD1 3.84Å; F732-Y833 HydrophobicContact CD1-CD1 3.84Å; F732-Y833 AromaticContact CD1-CD2 3.72Å; F732-Y833 HydrophobicContact CD1-CD2 3.72Å; F732-Y833 AromaticContact CD1-CE1 3.86Å; F732-Y833 HydrophobicContact CD1-CE1 3.86Å; F732-Y833 AromaticContact CD1-CE2 3.75Å; F732-Y833 HydrophobicContact CD1-CE2 3.75Å; F732-Y833 AromaticContact CD1-CG 3.76Å; F732-Y833 HydrophobicContact CD1-CG 3.76Å; F732-Y833 AromaticContact CD1-CZ 3.81Å; F732-Y833 HydrophobicContact CE1-CD1 4.25Å; F732-Y833 AromaticContact CE1-CD2 3.68Å; F732-Y833 HydrophobicContact CE1-CD2 3.68Å; F732-Y833 HydrophobicContact CE1-CE2 4.14Å; F732-Y833 AromaticContact CE1-CG 3.73Å; F732-Y833 HydrophobicContact CE1-CG 3.73Å; I829-Y833 WeakPolarHBondContact O-CB 3.46Å; I829-Y833 PolarHBondContact O-N 3.47Å; Y833-R835 PolarHBondContact O-N 3.44Å; Y833-Y836 PolarHBondContact O-N 3.32Å; Y833-K837 HydrophobicContact CD1-CD 4.21Å; Y833-K837 HydrophobicContact CE1-CB 4.31Å; Y833-K837 HydrophobicContact CE1-CD 3.29Å; Y833-K837 HydrophobicContact CE1-CG 4.46Å; Y833-K837 VanDerWaalsContact O-CB 3.32Å; Y833-K837 WeakPolarHBondContact O-CB 3.15Å; Y833-K837 PolarHBondContact O-N 3.48Å; Y833-K837 PolarHBondContact OH-NZ 3.02Å; Y833-K837 VanDerWaalsContact OH-NZ 3.15Å
834Q76.2Confident75.3Confident79 Ų7979.9 Ų79.937%0.36940%0.395SS..Hα-helixtrans-64.3-26.2172.1-172.7-179.3-10.200112.7Y727 G830 A832Y727-Q834 PolarHBondContact OH-OE1 3.36Å; G830-Q834 WeakPolarHBondContact O-CB 3.34Å; G830-Q834 PolarHBondContact O-N 3.43Å; A832-Q834 PolarHBondContact O-N 2.97Å
835R77.2Confident73.9Confident152 Ų15278 Ų7857%0.57439%0.387SS*.Hα-helixtrans-81.9-32.6171.8-75.7169.1-173.2-161.38.1113.2L831 A832 Y833 K838L831-R835 WeakPolarHBondContact O-CB 3.43Å; L831-R835 WeakPolarHBondContact O-CG 3.44Å; L831-R835 PolarHBondContact O-N 3.4Å; A832-R835 CarbonylContact O-C 3.6Å; A832-R835 WeakPolarHBondContact O-CA 3.25Å; A832-R835 WeakPolarHBondContact O-CB 3.25Å; A832-R835 PolarHBondContact O-N 3.1Å; Y833-R835 PolarHBondContact O-N 3.44Å; R835-K838 VanDerWaalsContact O-CB 3.27Å; R835-K838 WeakPolarHBondContact O-CB 3.4Å; R835-K838 WeakPolarHBondContact O-CD 3.37Å; R835-K838 VanDerWaalsContact O-CG 3.23Å; R835-K838 WeakPolarHBondContact O-CG 3.26Å
836Y78Confident72.7Confident203 Ų20384 Ų8480%0.79641%0.411SS*.Hα-helixtrans-74.6-47.6179.5-178.5-96.2000111.2A832 Y833 K838A832-Y836 WeakPolarHBondContact O-CB 3.22Å; A832-Y836 PolarHBondContact O-N 3.38Å; Y833-Y836 PolarHBondContact O-N 3.32Å; Y836-K838 PolarHBondContact O-N 3.46Å
837K69.9Low71.7Confident75 Ų7584.1 Ų84.133%0.32641%0.414SS..THydrogen-bonded Turntrans-73.530.7174.7-164169.9175.7178.90112.7N731 F732 N734 Y833 T839N731-K837 PolarHBondContact O-NZ 2.99Å; F732-K837 PolarHBondContact O-NZ 2.87Å; F732-K837 VanDerWaalsContact O-NZ 3.07Å; N734-K837 PolarHBondContact OD1-NZ 3.23Å; Y833-K837 HydrophobicContact CD1-CD 4.21Å; Y833-K837 HydrophobicContact CE1-CB 4.31Å; Y833-K837 HydrophobicContact CE1-CD 3.29Å; Y833-K837 HydrophobicContact CE1-CG 4.46Å; Y833-K837 VanDerWaalsContact O-CB 3.32Å; Y833-K837 WeakPolarHBondContact O-CB 3.15Å; Y833-K837 PolarHBondContact O-N 3.48Å; Y833-K837 PolarHBondContact OH-NZ 3.02Å; Y833-K837 VanDerWaalsContact OH-NZ 3.15Å; K837-T839 VanDerWaalsContact C-N 3.25Å; K837-T839 PolarHBondContact O-N 3.41Å
838K53.4Low70.9Confident128 Ų12886.3 Ų86.356%0.55743%0.427SS*.  trans-76-4.6-178.2-97.6-175.3179.6-179.10114.8R835 Y836 D840R835-K838 VanDerWaalsContact O-CB 3.27Å; R835-K838 WeakPolarHBondContact O-CB 3.4Å; R835-K838 WeakPolarHBondContact O-CD 3.37Å; R835-K838 VanDerWaalsContact O-CG 3.23Å; R835-K838 WeakPolarHBondContact O-CG 3.26Å; Y836-K838 PolarHBondContact O-N 3.46Å; K838-D840 PolarHBondContact O-N 2.98Å
839T47.5Very low70Confident106 Ų10687.2 Ų87.265%0.6542%0.421SS*.SBendtrans-65.195171.915.50000111.4K837K837-T839 VanDerWaalsContact C-N 3.25Å; K837-T839 PolarHBondContact O-N 3.41Å
840D51Low69Low109 Ų10986.4 Ų86.458%0.58342%0.421SS*.SBendtrans98-1.2133.3-55-34.5000121.8K838K838-D840 PolarHBondContact O-N 2.98Å
841N52.4Low68.1Low77 Ų7796.1 Ų96.141%0.41247%0.466SS..SBendtrans-137.4-21.8179.1-74.1-70.1000120.2
842Y57.4Low67.5Low93 Ų9394.4 Ų94.437%0.36546%0.457SS..SBendtrans-121.7-5.6-168.6-63.6-73.6000116.7R665R665-Y842 PolarHBondContact NH1-O 3.28Å; R665-Y842 VanDerWaalsContact NH1-O 3.08Å
843S58.6Low67Low57 Ų5797.6 Ų97.640%0.39947%0.468SS..  trans-98.1110.9177.555.90000111.1
844F64.8Low66.4Low55 Ų5597.1 Ų97.124%0.24149%0.485CS..  trans-83.9124.8175.2-71.7-101.4000110.6M662 R665 T904 Q906M662-F844 HydrophobicContact CG-CE2 4.47Å; M662-F844 HydrophobicContact CG-CZ 4.08Å; M662-F844 VanDerWaalsContact O-CZ 3.3Å; M662-F844 WeakPolarHBondContact O-CZ 3.38Å; R665-F844 HydrophobicContact CB-CD2 3.64Å; R665-F844 HydrophobicContact CB-CE2 3.49Å; R665-F844 VanDerWaalsContact CB-CE2 3.49Å; R665-F844 HydrophobicContact CB-CG 4.33Å; R665-F844 HydrophobicContact CB-CZ 4.05Å; R665-F844 HydrophobicContact CG-CD2 4.5Å; R665-F844 HydrophobicContact CG-CE2 4.46Å; F844-T904 WeakPolarHBondContact CD1-O 3.3Å; F844-Q906 HydrophobicContact CD1-CG 3.96Å; F844-Q906 HydrophobicContact CE1-CG 3.39Å; F844-Q906 HydrophobicContact CZ-CG 3.78Å
845V65.5Low66.6Low65 Ų65101.5 Ų101.539%0.39450%0.502SS..  trans-78.6128167.2-177.20000107.8V847 G905 R908V845-V847 PolarHBondContact O-N 3.25Å; V845-G905 WeakPolarHBondContact CB-O 3.27Å; V845-G905 PolarHBondContact N-O 3.19Å; V845-G905 WeakPolarHBondContact O-CA 3.32Å; V845-R908 HydrophobicContact CG2-CB 4.22Å
846K67.2Low67Low183 Ų18395.9 Ų95.980%0.79648%0.484SS*.  trans-67103.1172.1-171.9-176.5-175.7-172.70108.6
847V71.8Confident67.2Low21 Ų2186.2 Ų86.213%0.12745%0.446CS..  trans-56.8141.6175-174.20000109.3V845 R849 G905 V914 L916V845-V847 PolarHBondContact O-N 3.25Å; V847-R849 PolarHBondContact O-N 3.38Å; V847-G905 VanDerWaalsContact CG2-CA 3.46Å; V847-V914 HydrophobicContact CG1-CB 3.96Å; V847-V914 HydrophobicContact CG1-CG1 3.76Å; V847-V914 WeakPolarHBondContact CG1-O 3.48Å; V847-L916 HydrophobicContact CB-CD1 3.87Å; V847-L916 HydrophobicContact CB-CG 4.3Å; V847-L916 HydrophobicContact CG1-CD1 3.92Å; V847-L916 HydrophobicContact CG1-CG 3.8Å; V847-L916 HydrophobicContact CG2-CD1 4.32Å
848S73Confident68.1Low70 Ų7082.7 Ų82.749%0.4943%0.43SS..EExtended strand (participates in β ladder)trans-60.8126.9178.1-65.60000109.9L915 L916S848-L915 WeakPolarHBondContact O-CA 3.38Å; S848-L916 PolarHBondContact O-N 3.19Å
849R72.8Confident69.8Low109 Ų10977 Ų7741%0.41141%0.406SS..EExtended strand (participates in β ladder)trans-105.8134.8172.1-68178.3175.8-170.2-15.2108.5V847 L916 E919 H920V847-R849 PolarHBondContact O-N 3.38Å; R849-L916 WeakPolarHBondContact CA-O 3.47Å; R849-L916 HydrophobicContact CG-CB 4.45Å; R849-E919 VanDerWaalsContact CZ-O 3.29Å; R849-E919 PolarHBondContact NH1-O 2.8Å; R849-E919 PolarHBondContact NH2-O 2.86Å; R849-H920 PolarHBondContact NH2-O 3.01Å
850S71Confident71.9Confident45 Ų4572 Ų7232%0.31538%0.376SS..EExtended strand (participates in β ladder)trans-137.7160.3175.850.50000108.9L852 L916S850-L852 PolarHBondContact O-N 3.49Å; S850-L916 PolarHBondContact N-O 3.02Å
851Q67Low73.7Confident203 Ų20369.8 Ų69.895%0.94937%0.366SS*.  trans-71.281.2160.5-69.3179.8-9.300107.7
852L72.5Confident75.6Confident30 Ų3070.6 Ų70.616%0.15737%0.371CS..  trans-65.2154.8157.2-71166.6000108.4S850 L856 L915 A917S850-L852 PolarHBondContact O-N 3.49Å; L852-L856 HydrophobicContact CB-CB 4.17Å; L852-L856 HydrophobicContact CD2-CD1 4.35Å; L852-L915 HydrophobicContact CD1-CB 4.03Å; L852-L915 HydrophobicContact CD2-CB 4.38Å; L852-L915 HydrophobicContact CD2-CD1 4.17Å; L852-L915 HydrophobicContact CG-CB 4.45Å; L852-A917 HydrophobicContact CB-CB 4.02Å; L852-A917 HydrophobicContact CD1-CB 3.99Å
853D75.7Confident77.1Confident118 Ų11866.2 Ų66.263%0.63135%0.353SS*.  trans-43.8141.8172.6-74.1-6.2000111.7K855 L856D853-K855 PolarHBondContact O-N 3.36Å; D853-L856 HydrophobicContact CB-CD1 4.46Å; D853-L856 HydrophobicContact CB-CG 4.49Å; D853-L856 PolarHBondContact O-N 3.21Å
854G71.4Confident78.6Confident62 Ų6264 Ų6464%0.63934%0.338SS*.THydrogen-bonded Turntrans-57.4-17.3-179.600000114.6R882G854-R882 WeakPolarHBondContact O-CD 3.41Å; G854-R882 PolarHBondContact O-NE 2.96Å
855K81.2Confident79.8Confident170 Ų17063.1 Ų63.174%0.73933%0.334SS*.THydrogen-bonded Turntrans-77-20.5173.9-60.7177.4-1771740113.6D853 A881 R882D853-K855 PolarHBondContact O-N 3.36Å; K855-A881 CarbonylContact O-C 3.51Å; K855-A881 WeakPolarHBondContact O-CA 3.44Å; K855-R882 PolarHBondContact O-N 3.24Å
856L84.6Confident80.7Confident35 Ų3563.9 Ų63.918%0.18334%0.336CS..EExtended strand (participates in β ladder)trans-100.4146.9-175.5-67.3176.5000112.5L852 D853 D879 R882 A917L852-L856 HydrophobicContact CB-CB 4.17Å; L852-L856 HydrophobicContact CD2-CD1 4.35Å; D853-L856 HydrophobicContact CB-CD1 4.46Å; D853-L856 HydrophobicContact CB-CG 4.49Å; D853-L856 PolarHBondContact O-N 3.21Å; L856-D879 HydrophobicContact CD2-CB 4.09Å; L856-R882 PolarHBondContact O-NE 3.25Å; L856-R882 PolarHBondContact O-NH2 3.32Å; L856-A917 WeakPolarHBondContact O-CB 3.34Å
857G83.6Confident81.1Confident0 Ų059.7 Ų59.70%032%0.315CS..EExtended strand (participates in β ladder)trans-105-40.1170.200000112.6F880 A917 V1004G857-F880 PolarHBondContact N-O 3.18Å; G857-A917 VanDerWaalsContact O-CB 3.29Å; G857-A917 WeakPolarHBondContact O-CB 3.43Å; G857-A917 PolarHBondContact O-N 3.15Å; G857-V1004 VanDerWaalsContact C-CG2 3.46Å; G857-V1004 WeakPolarHBondContact O-CG2 3.14Å
858A87.5Confident81.2Confident0 Ų062.3 Ų62.30%035%0.347CS..EExtended strand (participates in β ladder)trans-151.1156.9178.100000111.7F880 L903 L915 L916 V1004A858-F880 HydrophobicContact CB-CB 4.28Å; A858-F880 HydrophobicContact CB-CD2 3.82Å; A858-F880 PolarHBondContact N-O 3.31Å; A858-F880 PolarHBondContact O-N 2.75Å; A858-L903 HydrophobicContact CB-CD2 4.26Å; A858-L915 CarbonylContact C-O 3.56Å; A858-L915 VanDerWaalsContact CA-O 3.3Å; A858-L915 WeakPolarHBondContact CA-O 3.47Å; A858-L916 HydrophobicContact CB-CD2 3.65Å; A858-V1004 HydrophobicContact CB-CG2 4.13Å
859S89.9Confident81.3Confident8 Ų865 Ų656%0.05637%0.366CS..EExtended strand (participates in β ladder)trans-143.9138.6178.5175.30000111D879 L915S859-D879 WeakPolarHBondContact CA-OD1 3.46Å; S859-D879 WeakPolarHBondContact CB-OD1 3.2Å; S859-D879 PolarHBondContact OG-OD1 3.12Å; S859-L915 PolarHBondContact N-O 2.69Å; S859-L915 PolarHBondContact O-N 3.15Å
860L90Very high81.2Confident2 Ų266.9 Ų66.91%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-117.4128.6175.3-65.5145.9000107.9V863 L876 S877 L878 F880 L899 L903 V914L860-V863 HydrophobicContact CB-CG2 4.03Å; L860-V863 HydrophobicContact CD2-CG2 3.97Å; L860-L876 HydrophobicContact CB-CD2 4.26Å; L860-L876 HydrophobicContact CD1-CD2 3.91Å; L860-S877 CarbonylContact O-C 3.56Å; L860-S877 WeakPolarHBondContact O-CA 3.48Å; L860-L878 HydrophobicContact CB-CB 4.49Å; L860-L878 WeakPolarHBondContact CB-O 3.31Å; L860-L878 HydrophobicContact CD1-CB 3.93Å; L860-L878 HydrophobicContact CD1-CD2 4.37Å; L860-L878 HydrophobicContact CD1-CG 4.44Å; L860-L878 PolarHBondContact N-O 3.28Å; L860-L878 PolarHBondContact O-N 3.4Å; L860-F880 HydrophobicContact CD1-CE2 3.57Å; L860-F880 HydrophobicContact CD1-CZ 4.16Å; L860-L899 HydrophobicContact CD1-CD1 3.74Å; L860-L899 HydrophobicContact CD1-CD2 4.38Å; L860-L899 HydrophobicContact CD1-CG 4.28Å; L860-L899 HydrophobicContact CD2-CD1 3.94Å; L860-L903 HydrophobicContact CD1-CD2 4.33Å; L860-L903 HydrophobicContact CD2-CD2 4.2Å; L860-L903 HydrophobicContact CG-CD2 4.28Å; L860-V914 HydrophobicContact CD2-CB 4.47Å; L860-V914 HydrophobicContact CD2-CG1 3.96Å; L860-V914 HydrophobicContact CD2-CG2 4.05Å
861V90.1Very high81.7Confident63 Ų6367.2 Ų67.238%0.38238%0.379SS..EExtended strand (participates in β ladder)trans-127.9112-178.5-175.30000110.6V863 G912 K913V861-V863 VanDerWaalsContact C-N 3.27Å; V861-V863 PolarHBondContact O-N 2.93Å; V861-G912 CarbonylContact O-C 3.39Å; V861-G912 WeakPolarHBondContact O-CA 3.42Å; V861-K913 PolarHBondContact N-O 3.18Å; V861-K913 PolarHBondContact O-N 3.42Å
862N91.2Very high82.5Confident94 Ų9458.5 Ų58.550%0.50334%0.341SS..EExtended strand (participates in β ladder)trans49.343177.2-64.3-13.7000113.6L876 S877 S911 G912N862-L876 PolarHBondContact N-O 3.29Å; N862-S877 PolarHBondContact N-OG 3.47Å; N862-S877 PolarHBondContact OD1-OG 3.06Å; N862-S911 PolarHBondContact O-OG 3Å; N862-G912 VanDerWaalsContact O-CA 3.29Å; N862-G912 WeakPolarHBondContact O-CA 3.4Å; N862-G912 PolarHBondContact O-N 2.99Å
863V89.5Confident83.2Confident0 Ų057 Ų570%033%0.333CS..EExtended strand (participates in β ladder)trans-80.6122.3-171.2-177.10000110.9L860 V861 N875 L876 L902 Q909 S911 K913 V914L860-V863 HydrophobicContact CB-CG2 4.03Å; L860-V863 HydrophobicContact CD2-CG2 3.97Å; V861-V863 VanDerWaalsContact C-N 3.27Å; V861-V863 PolarHBondContact O-N 2.93Å; V863-N875 PolarHBondContact O-N 2.96Å; V863-L876 WeakPolarHBondContact CB-O 3.3Å; V863-L876 PolarHBondContact N-O 3.19Å; V863-L876 PolarHBondContact O-N 3.36Å; V863-L902 HydrophobicContact CG1-CD1 3.92Å; V863-Q909 HydrophobicContact CG1-CB 3.83Å; V863-S911 WeakPolarHBondContact CA-O 3.38Å; V863-K913 WeakPolarHBondContact CG2-O 3.5Å; V863-V914 HydrophobicContact CG1-CG2 4.39Å; V863-V914 HydrophobicContact CG2-CG2 4.2Å
864S90.8Very high83.8Confident10 Ų1052.6 Ų52.67%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-119.4149.4167.9-58.60000111.5V873 N875 S910 S911S864-V873 CarbonylContact C-O 3.55Å; S864-V873 WeakPolarHBondContact CA-O 3.46Å; S864-N875 PolarHBondContact OG-N 3.23Å; S864-N875 PolarHBondContact OG-OD1 3.31Å; S864-S910 WeakPolarHBondContact O-CB 3.26Å; S864-S910 PolarHBondContact O-N 3.17Å; S864-S911 WeakPolarHBondContact CB-OG 3.42Å; S864-S911 PolarHBondContact N-O 3.39Å; S864-S911 VanDerWaalsContact N-O 3.14Å; S864-S911 PolarHBondContact N-OG 3.45Å; S864-S911 PolarHBondContact O-N 3.34Å; S864-S911 PolarHBondContact OG-OG 3.15Å; S864-S911 VanDerWaalsContact OG-OG 3.1Å
865K88.6Confident84.7Confident38 Ų3855 Ų5517%0.16531%0.31CS..EExtended strand (participates in β ladder)trans-137.3122.6169.3-17961.2-176-178.70111Y867 A872 V873 T898 L902 I907 R908K865-Y867 HydrophobicContact CG-CD2 4.27Å; K865-Y867 HydrophobicContact CG-CE2 3.9Å; K865-A872 PolarHBondContact O-N 3.13Å; K865-V873 HydrophobicContact CB-CB 4.48Å; K865-V873 PolarHBondContact N-O 3.15Å; K865-V873 PolarHBondContact O-N 2.88Å; K865-T898 HydrophobicContact CB-CG2 4.15Å; K865-T898 HydrophobicContact CG-CG2 4Å; K865-L902 HydrophobicContact CB-CD1 4.41Å; K865-I907 HydrophobicContact CD-CG2 3.78Å; K865-I907 VanDerWaalsContact CE-CG2 3.42Å; K865-I907 HydrophobicContact CG-CG2 4.25Å; K865-R908 WeakPolarHBondContact CD-O 3.42Å; K865-R908 PolarHBondContact NZ-O 3.48Å
866L86.1Confident85Confident81 Ų8147.2 Ų47.242%0.42428%0.276SS..EExtended strand (participates in β ladder)trans-104.6146.6169.8-6286.6000110.2K870 C871 S910L866-K870 WeakPolarHBondContact CA-O 3.49Å; L866-C871 HydrophobicContact CG-CB 4.4Å; L866-S910 PolarHBondContact N-OG 3.22Å
867Y75.8Confident85.2Confident94 Ų9448 Ų4837%0.36929%0.285SS..EExtended strand (participates in β ladder)trans-126107.2167.6-61.1-96.1000107.8K865 S869 K870 A872 T898 I907K865-Y867 HydrophobicContact CG-CD2 4.27Å; K865-Y867 HydrophobicContact CG-CE2 3.9Å; Y867-S869 PolarHBondContact O-N 2.9Å; Y867-K870 PolarHBondContact N-O 3.44Å; Y867-K870 PolarHBondContact O-N 3.46Å; Y867-A872 HydrophobicContact CD2-CB 3.61Å; Y867-A872 HydrophobicContact CE2-CB 3.5Å; Y867-T898 HydrophobicContact CE2-CG2 3.98Å; Y867-T898 PolarHBondContact OH-OG1 2.97Å; Y867-T898 VanDerWaalsContact OH-OG1 3.09Å; Y867-I907 HydrophobicContact CE1-CD1 4.02Å; Y867-I907 WeakPolarHBondContact OH-CD1 3.44Å
868G73.6Confident85.5Confident77 Ų7748.5 Ų48.579%0.79429%0.287SS*.THydrogen-bonded Turntrans55-129.6-164.400000110.3
869S73.5Confident85.6Confident126 Ų12652.7 Ų52.788%0.88131%0.31SS*.THydrogen-bonded Turntrans-76.8-18.4174.653.70000114.6Y867 C871Y867-S869 PolarHBondContact O-N 2.9Å; S869-C871 PolarHBondContact O-N 3.48Å
870K70.6Confident85.6Confident149 Ų14952.4 Ų52.465%0.64831%0.307SS*.EExtended strand (participates in β ladder)trans-86.6115.4-173.4-168.9168.3-175.1171.40111.6L866 Y867L866-K870 WeakPolarHBondContact CA-O 3.49Å; Y867-K870 PolarHBondContact N-O 3.44Å; Y867-K870 PolarHBondContact O-N 3.46Å
871C82.9Confident85.5Confident52 Ų5253.5 Ų53.535%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-71.3125.9166.3-155.60000109.7L866 S869 V873L866-C871 HydrophobicContact CG-CB 4.4Å; S869-C871 PolarHBondContact O-N 3.48Å; C871-V873 PolarHBondContact SG-O 2.86Å
872A83.1Confident85.4Confident19 Ų1954.3 Ų54.316%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-109.4-21-179.100000113.2K865 Y867 T898 G1058K865-A872 PolarHBondContact O-N 3.13Å; Y867-A872 HydrophobicContact CD2-CB 3.61Å; Y867-A872 HydrophobicContact CE2-CB 3.5Å; A872-T898 HydrophobicContact CB-CG2 4.39Å; A872-G1058 WeakPolarHBondContact O-CA 3.37Å
873V88.3Confident85.1Confident0 Ų054.8 Ų54.80%032%0.316CS..EExtended strand (participates in β ladder)trans-144.1133.4166.7-177.10000106.5S864 K865 C871 L876 T898 L902 G1058S864-V873 CarbonylContact C-O 3.55Å; S864-V873 WeakPolarHBondContact CA-O 3.46Å; K865-V873 HydrophobicContact CB-CB 4.48Å; K865-V873 PolarHBondContact N-O 3.15Å; K865-V873 PolarHBondContact O-N 2.88Å; C871-V873 PolarHBondContact SG-O 2.86Å; V873-L876 HydrophobicContact CG1-CB 3.52Å; V873-L876 HydrophobicContact CG1-CD1 3.83Å; V873-L876 HydrophobicContact CG1-CG 4.28Å; V873-T898 HydrophobicContact CG2-CG2 3.83Å; V873-L902 HydrophobicContact CG2-CD1 4.44Å; V873-G1058 CarbonylContact C-O 3.57Å; V873-G1058 WeakPolarHBondContact CA-O 3.29Å
874S88.2Confident84.9Confident24 Ų2457.3 Ų57.317%0.16833%0.327CS..EExtended strand (participates in β ladder)trans-129.7119.8-179.872.80000112.1L876 G1058 R1059S874-L876 PolarHBondContact O-N 3.44Å; S874-L876 VanDerWaalsContact O-N 3.17Å; S874-G1058 PolarHBondContact N-O 3.27Å; S874-R1059 WeakPolarHBondContact OG-CG 3.38Å; S874-R1059 PolarHBondContact OG-NE 3.16Å
875N89.1Confident84.8Confident113 Ų11356.9 Ų56.960%0.60432%0.324SS*.EExtended strand (participates in β ladder)trans43.345.3177.5-69.9-8.2000114V863 S864V863-N875 PolarHBondContact O-N 2.96Å; S864-N875 PolarHBondContact OG-N 3.23Å; S864-N875 PolarHBondContact OG-OD1 3.31Å
876L87.9Confident84.9Confident6 Ų655.2 Ų55.23%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-82.9124.1-179.2-171.6154.9000110.3L860 N862 V863 V873 S874 L878 L899 M1055 I1060L860-L876 HydrophobicContact CB-CD2 4.26Å; L860-L876 HydrophobicContact CD1-CD2 3.91Å; N862-L876 PolarHBondContact N-O 3.29Å; V863-L876 WeakPolarHBondContact CB-O 3.3Å; V863-L876 PolarHBondContact N-O 3.19Å; V863-L876 PolarHBondContact O-N 3.36Å; V873-L876 HydrophobicContact CG1-CB 3.52Å; V873-L876 HydrophobicContact CG1-CD1 3.83Å; V873-L876 HydrophobicContact CG1-CG 4.28Å; S874-L876 PolarHBondContact O-N 3.44Å; S874-L876 VanDerWaalsContact O-N 3.17Å; L876-L878 HydrophobicContact CD2-CB 3.73Å; L876-L899 HydrophobicContact CD1-CD1 4.29Å; L876-L899 HydrophobicContact CD1-CD2 4.34Å; L876-L899 HydrophobicContact CD2-CD1 3.99Å; L876-L899 HydrophobicContact CD2-CD2 4.48Å; L876-M1055 HydrophobicContact CD1-CE 3.65Å; L876-I1060 HydrophobicContact CD1-CD1 4.08Å; L876-I1060 HydrophobicContact CD1-CG1 3.89Å; L876-I1060 HydrophobicContact CD2-CD1 4.24Å; L876-I1060 HydrophobicContact CG-CD1 3.88Å; L876-I1060 HydrophobicContact CG-CG1 4.14Å
877S89.6Confident85.2Confident52 Ų5251.3 Ų51.336%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-117.7131.6167.8-63.70000109.2L860 N862L860-S877 CarbonylContact O-C 3.56Å; L860-S877 WeakPolarHBondContact O-CA 3.48Å; N862-S877 PolarHBondContact N-OG 3.47Å; N862-S877 PolarHBondContact OD1-OG 3.06Å
878L89Confident85.8Confident11 Ų1146.9 Ų46.96%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-165131-174.2176.863.3000110.7L860 L876 F880 L888 L899 V1053 I1060L860-L878 HydrophobicContact CB-CB 4.49Å; L860-L878 WeakPolarHBondContact CB-O 3.31Å; L860-L878 HydrophobicContact CD1-CB 3.93Å; L860-L878 HydrophobicContact CD1-CD2 4.37Å; L860-L878 HydrophobicContact CD1-CG 4.44Å; L860-L878 PolarHBondContact N-O 3.28Å; L860-L878 PolarHBondContact O-N 3.4Å; L876-L878 HydrophobicContact CD2-CB 3.73Å; L878-F880 HydrophobicContact CD2-CE1 3.81Å; L878-F880 HydrophobicContact CD2-CE2 4.23Å; L878-F880 HydrophobicContact CD2-CZ 3.49Å; L878-F880 VanDerWaalsContact CD2-CZ 3.49Å; L878-F880 HydrophobicContact CG-CE1 4.19Å; L878-F880 HydrophobicContact CG-CE2 4.33Å; L878-F880 HydrophobicContact CG-CZ 3.98Å; L878-L888 HydrophobicContact CD2-CD2 4.32Å; L878-L899 HydrophobicContact CD2-CD2 4.32Å; L878-V1053 HydrophobicContact CD1-CG2 3.86Å; L878-V1053 HydrophobicContact CD2-CG1 4.32Å; L878-V1053 HydrophobicContact CD2-CG2 4.18Å; L878-I1060 HydrophobicContact CB-CD1 4.22Å; L878-I1060 HydrophobicContact CD1-CD1 4.47Å; L878-I1060 HydrophobicContact CD2-CD1 4.31Å
879D89.8Confident86.4Confident88 Ų8843.3 Ų43.347%0.47124%0.242SC..EExtended strand (participates in β ladder)trans-109.7149178-62.7-44.5000111.6L856 S859L856-D879 HydrophobicContact CD2-CB 4.09Å; S859-D879 WeakPolarHBondContact CA-OD1 3.46Å; S859-D879 WeakPolarHBondContact CB-OD1 3.2Å; S859-D879 PolarHBondContact OG-OD1 3.12Å
880F90.3Very high86.8Confident1 Ų137.3 Ų37.30%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-124.5111.1-178.5-61.1-74000110G857 A858 L860 L878 L903 I1036G857-F880 PolarHBondContact N-O 3.18Å; A858-F880 HydrophobicContact CB-CB 4.28Å; A858-F880 HydrophobicContact CB-CD2 3.82Å; A858-F880 PolarHBondContact N-O 3.31Å; A858-F880 PolarHBondContact O-N 2.75Å; L860-F880 HydrophobicContact CD1-CE2 3.57Å; L860-F880 HydrophobicContact CD1-CZ 4.16Å; L878-F880 HydrophobicContact CD2-CE1 3.81Å; L878-F880 HydrophobicContact CD2-CE2 4.23Å; L878-F880 HydrophobicContact CD2-CZ 3.49Å; L878-F880 VanDerWaalsContact CD2-CZ 3.49Å; L878-F880 HydrophobicContact CG-CE1 4.19Å; L878-F880 HydrophobicContact CG-CE2 4.33Å; L878-F880 HydrophobicContact CG-CZ 3.98Å; F880-L903 HydrophobicContact CE2-CD1 3.88Å; F880-L903 HydrophobicContact CE2-CD2 4.02Å; F880-L903 HydrophobicContact CZ-CD1 4.15Å; F880-I1036 HydrophobicContact CB-CD1 4.4Å; F880-I1036 HydrophobicContact CD1-CD1 3.9Å; F880-I1036 HydrophobicContact CD1-CG1 3.76Å; F880-I1036 HydrophobicContact CD2-CD1 3.63Å; F880-I1036 HydrophobicContact CD2-CG1 4.39Å; F880-I1036 HydrophobicContact CE1-CD1 3.95Å; F880-I1036 HydrophobicContact CE1-CG1 3.93Å; F880-I1036 HydrophobicContact CE1-CG2 3.99Å; F880-I1036 HydrophobicContact CE2-CD1 3.67Å; F880-I1036 HydrophobicContact CG-CD1 3.72Å; F880-I1036 HydrophobicContact CG-CG1 3.99Å; F880-I1036 HydrophobicContact CZ-CD1 3.82Å; F880-I1036 HydrophobicContact CZ-CG1 4.3Å; F880-I1036 HydrophobicContact CZ-CG2 4.17Å
881A88.3Confident87Confident26 Ų2632 Ų3222%0.21518%0.177CC..EExtended strand (participates in β ladder)trans-81156.8179.500000113K855 Q884 A1034K855-A881 CarbonylContact O-C 3.51Å; K855-A881 WeakPolarHBondContact O-CA 3.44Å; A881-Q884 HydrophobicContact CB-CB 4.14Å; A881-Q884 WeakPolarHBondContact O-CB 3.38Å; A881-A1034 WeakPolarHBondContact O-CA 3.43Å; A881-A1034 WeakPolarHBondContact O-CB 3.41Å
882R86.7Confident86.6Confident80 Ų8032.5 Ų32.530%0.30218%0.176SC..THydrogen-bonded Turntrans-77.1157.1169.7-55.3-173-163.7-175.410.4110.4G854 K855 L856 Q884G854-R882 WeakPolarHBondContact O-CD 3.41Å; G854-R882 PolarHBondContact O-NE 2.96Å; K855-R882 PolarHBondContact O-N 3.24Å; L856-R882 PolarHBondContact O-NE 3.25Å; L856-R882 PolarHBondContact O-NH2 3.32Å; R882-Q884 PolarHBondContact O-N 2.74Å
883N84.7Confident86Confident104 Ų10435.4 Ų35.456%0.55621%0.208SC*.THydrogen-bonded Turntrans61.311.4-169.5-56.3-30.3000113.9G1032 R1033N883-G1032 VanDerWaalsContact OD1-CA 3.3Å; N883-G1032 WeakPolarHBondContact OD1-CA 3.44Å; N883-G1032 PolarHBondContact OD1-N 2.91Å; N883-R1033 PolarHBondContact N-O 2.88Å
884Q86.6Confident85.6Confident52 Ų5235.6 Ų35.624%0.24321%0.21CC..  trans-120.6133.9-174-159.3-177.228.200110.9A881 R882 V1035 D1050A881-Q884 HydrophobicContact CB-CB 4.14Å; A881-Q884 WeakPolarHBondContact O-CB 3.38Å; R882-Q884 PolarHBondContact O-N 2.74Å; Q884-V1035 PolarHBondContact O-N 2.92Å; Q884-D1050 HydrophobicContact CG-CB 3.65Å
885V88.9Confident85.2Confident1 Ų134.8 Ų34.81%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-92.9110166.1-173.50000108.7V1035 F1037 L1048 D1050 S1051V885-V1035 CarbonylContact C-O 3.45Å; V885-V1035 WeakPolarHBondContact CA-O 3.25Å; V885-V1035 HydrophobicContact CG1-CB 4.49Å; V885-V1035 HydrophobicContact CG1-CG1 4.33Å; V885-V1035 HydrophobicContact CG2-CB 4.17Å; V885-F1037 HydrophobicContact CG1-CB 3.85Å; V885-F1037 HydrophobicContact CG1-CG 4.38Å; V885-L1048 VanDerWaalsContact CB-O 3.25Å; V885-L1048 WeakPolarHBondContact CB-O 3.42Å; V885-L1048 HydrophobicContact CG1-CB 4.24Å; V885-D1050 PolarHBondContact N-OD2 3.14Å; V885-D1050 PolarHBondContact O-N 2.93Å; V885-S1051 PolarHBondContact O-N 3.26Å; V885-S1051 VanDerWaalsContact O-N 3.11Å
886S91Very high85Confident3 Ų330 Ų302%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-99.8107.3177.1-60.30000109.8V1035 I1036 F1037 S1051S886-V1035 PolarHBondContact N-O 3.15Å; S886-I1036 WeakPolarHBondContact O-CA 3.46Å; S886-F1037 PolarHBondContact O-N 2.97Å; S886-S1051 CarbonylContact C-O 3.48Å; S886-S1051 WeakPolarHBondContact CA-O 3.26Å
887C91Very high84.6Confident0 Ų032.9 Ų32.90%020%0.199CC..EExtended strand (participates in β ladder)trans-88.4133.6-176.5-179.10000112.2F1037 S1051 L1052 V1053C887-F1037 CarbonylContact C-O 3.55Å; C887-F1037 WeakPolarHBondContact CA-O 3.34Å; C887-F1037 HydrophobicContact CB-CD1 4.25Å; C887-F1037 PolarHBondContact SG-O 3.46Å; C887-S1051 PolarHBondContact N-O 3.48Å; C887-L1052 HydrophobicContact CB-CD1 3.65Å; C887-L1052 VanDerWaalsContact SG-CD1 3.55Å; C887-V1053 PolarHBondContact O-N 3.47Å
888L89.8Confident84.5Confident0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans-103.2109.2173.8-58.9178000109.7L878 K896 L899 I1036 F1037 A1038 T1039 V1053L878-L888 HydrophobicContact CD2-CD2 4.32Å; L888-K896 HydrophobicContact CB-CD 4.33Å; L888-K896 WeakPolarHBondContact O-CD 3.33Å; L888-L899 HydrophobicContact CD1-CD2 4.12Å; L888-L899 HydrophobicContact CD2-CD2 4.15Å; L888-I1036 HydrophobicContact CD1-CG2 3.83Å; L888-I1036 HydrophobicContact CG-CG2 4.23Å; L888-F1037 PolarHBondContact N-O 3.45Å; L888-A1038 HydrophobicContact CB-CB 4.25Å; L888-T1039 PolarHBondContact O-N 2.94Å; L888-V1053 HydrophobicContact CD2-CB 4.14Å; L888-V1053 HydrophobicContact CD2-CG1 4.48Å
889L86.1Confident84.5Confident2 Ų230.8 Ų30.81%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-111.6154.7177.7-171.767.1000110.3M1042 L1052 V1053 I1054 M1055 F1162L889-M1042 HydrophobicContact CD2-CE 3.83Å; L889-L1052 HydrophobicContact CB-CD1 3.84Å; L889-L1052 HydrophobicContact CD2-CD1 4.35Å; L889-L1052 HydrophobicContact CD2-CD2 4.3Å; L889-V1053 PolarHBondContact N-O 3.47Å; L889-I1054 HydrophobicContact CD2-CG1 4.36Å; L889-M1055 PolarHBondContact O-N 3.45Å; L889-F1162 HydrophobicContact CD2-CD2 3.82Å; L889-F1162 HydrophobicContact CD2-CE2 4.26Å; L889-F1162 HydrophobicContact CD2-CG 4.35Å; L889-F1162 HydrophobicContact CG-CD2 4.02Å; L889-F1162 HydrophobicContact CG-CE2 3.93Å
890G80.3Confident84.4Confident1 Ų126.6 Ų26.61%0.0116%0.163CC..EExtended strand (participates in β ladder)trans156.7153.3-173.600000113.2K896 H1040 M1055G890-K896 PolarHBondContact O-NZ 3.27Å; G890-H1040 PolarHBondContact O-CE1 3.35Å; G890-M1055 VanDerWaalsContact CA-O 3.22Å; G890-M1055 WeakPolarHBondContact CA-O 3.46Å
891R75.8Confident84.1Confident37 Ų3728.9 Ų28.914%0.1417%0.173CC..SBendtrans-56.3159.5175-77.2-178.778.4174.66.3111.4G893 A894 F1162 N1166 E1170 E1758 D1801R891-G893 PolarHBondContact O-N 3.07Å; R891-A894 WeakPolarHBondContact O-CB 3.44Å; R891-A894 PolarHBondContact O-N 3.13Å; R891-F1162 HydrophobicContact CG-CZ 4.35Å; R891-N1166 WeakPolarHBondContact CD-OD1 3.25Å; R891-N1166 WeakPolarHBondContact CG-OD1 3.37Å; R891-E1170 IonicContact NH1-OE1 2.75Å; R891-E1170 PolarHBondContact NH1-OE1 3.18Å; R891-E1170 VanDerWaalsContact NH1-OE1 3.15Å; R891-E1170 IonicContact NH1-OE2 2.85Å; R891-E1758 IonicContact CZ-OE1 2.72Å; R891-E1758 VanDerWaalsContact NH2-CD 3.33Å; R891-E1758 IonicContact NH2-OE1 3.75Å; R891-E1758 PolarHBondContact NH2-OE1 3.43Å; R891-E1758 IonicContact NH2-OE2 3.49Å; R891-E1758 PolarHBondContact NH2-OE2 3.48Å; R891-E1758 VanDerWaalsContact NH2-OE2 3.14Å; R891-D1801 VanDerWaalsContact CA-OD2 3.32Å; R891-D1801 WeakPolarHBondContact CA-OD2 3.34Å; R891-D1801 WeakPolarHBondContact CB-OD2 3.48Å
892N73.4Confident84.1Confident62 Ų6227.8 Ų27.833%0.33216%0.163SC..THydrogen-bonded Turntrans-55.5123.8171.1-89.3-45.4000110.5H1040 D1799 D1801N892-H1040 PolarHBondContact OD1-CE1 2.86Å; N892-D1799 PolarHBondContact ND2-O 3.04Å; N892-D1801 PolarHBondContact N-OD2 3.19Å; N892-D1801 PolarHBondContact ND2-N 3.46Å; N892-D1801 PolarHBondContact ND2-OD1 3.34Å
893G70.7Confident84.1Confident81 Ų8124 Ų2484%0.83515%0.149SC*.THydrogen-bonded Turntrans85.53-17600000116.6R891 G895R891-G893 PolarHBondContact O-N 3.07Å; G893-G895 PolarHBondContact O-N 3.31Å
894A79.9Confident84.1Confident4 Ų419.5 Ų19.53%0.03313%0.125CC..SBendtrans-65.7-7.3-178.100000116.4R891 M1055 G1058R891-A894 WeakPolarHBondContact O-CB 3.44Å; R891-A894 PolarHBondContact O-N 3.13Å; A894-M1055 HydrophobicContact CB-CB 4.33Å; A894-M1055 WeakPolarHBondContact CB-O 3.41Å; A894-G1058 WeakPolarHBondContact O-CA 3.48Å; A894-G1058 PolarHBondContact O-N 2.93Å
895G80.2Confident83.7Confident7 Ų717.1 Ų17.17%0.07211%0.114CC..SBendtrans117-13.7178.200000115.2G893 S897 T898 L899G893-G895 PolarHBondContact O-N 3.31Å; G895-S897 PolarHBondContact O-N 3.13Å; G895-T898 WeakPolarHBondContact O-CA 3.18Å; G895-T898 WeakPolarHBondContact O-CB 3.33Å; G895-T898 PolarHBondContact O-N 2.92Å; G895-L899 PolarHBondContact O-N 3.02Å
896K84.1Confident83.1Confident11 Ų1117.8 Ų17.85%0.04812%0.117CC..Hα-helixtrans-45.9-57.4-173.9-57.9-168.9-60.2-164.70114L888 G890 T898 L899 I900 T1039 H1040 M1055L888-K896 HydrophobicContact CB-CD 4.33Å; L888-K896 WeakPolarHBondContact O-CD 3.33Å; G890-K896 PolarHBondContact O-NZ 3.27Å; K896-T898 VanDerWaalsContact C-N 3.28Å; K896-T898 PolarHBondContact O-N 3.25Å; K896-L899 WeakPolarHBondContact O-CA 3.32Å; K896-L899 VanDerWaalsContact O-CB 3.3Å; K896-L899 WeakPolarHBondContact O-CB 3.32Å; K896-L899 PolarHBondContact O-N 2.76Å; K896-I900 PolarHBondContact O-N 3.27Å; K896-T1039 PolarHBondContact NZ-O 2.93Å; K896-H1040 WeakPolarHBondContact CE-NE2 3.17Å; K896-H1040 PolarHBondContact NZ-CD2 3.24Å; K896-H1040 PolarHBondContact NZ-CE1 2.78Å; K896-H1040 PolarHBondContact NZ-NE2 2.94Å; K896-M1055 HydrophobicContact CG-SD 4.2Å
897S81.3Confident82.6Confident67 Ų6718.6 Ų18.647%0.46912%0.121SC..Hα-helixtrans-67.9-25.4-179.8-37.30000113G895 K901G895-S897 PolarHBondContact O-N 3.13Å; S897-K901 WeakPolarHBondContact O-CB 3.27Å; S897-K901 WeakPolarHBondContact O-CG 3.03Å; S897-K901 PolarHBondContact O-N 2.85Å
898T86.1Confident82.1Confident19 Ų1927.1 Ų27.112%0.11715%0.153CC..Hα-helixtrans-69.5-37.9170.7-66.40000110.7K865 Y867 A872 V873 G895 K896 K901 L902K865-T898 HydrophobicContact CB-CG2 4.15Å; K865-T898 HydrophobicContact CG-CG2 4Å; Y867-T898 HydrophobicContact CE2-CG2 3.98Å; Y867-T898 PolarHBondContact OH-OG1 2.97Å; Y867-T898 VanDerWaalsContact OH-OG1 3.09Å; A872-T898 HydrophobicContact CB-CG2 4.39Å; V873-T898 HydrophobicContact CG2-CG2 3.83Å; G895-T898 WeakPolarHBondContact O-CA 3.18Å; G895-T898 WeakPolarHBondContact O-CB 3.33Å; G895-T898 PolarHBondContact O-N 2.92Å; K896-T898 VanDerWaalsContact C-N 3.28Å; K896-T898 PolarHBondContact O-N 3.25Å; T898-K901 PolarHBondContact O-N 3.36Å; T898-L902 HydrophobicContact CG2-CD1 4.19Å; T898-L902 VanDerWaalsContact O-CG 3.28Å; T898-L902 WeakPolarHBondContact O-CG 3.42Å; T898-L902 PolarHBondContact O-N 3.24Å
899L88.5Confident82Confident0 Ų029.5 Ų29.50%017%0.165CC..Hα-helixtrans-62.6-43.3173.8-163.863.1000111.6L860 L876 L878 L888 G895 K896 K901 L902 L903 M1055L860-L899 HydrophobicContact CD1-CD1 3.74Å; L860-L899 HydrophobicContact CD1-CD2 4.38Å; L860-L899 HydrophobicContact CD1-CG 4.28Å; L860-L899 HydrophobicContact CD2-CD1 3.94Å; L876-L899 HydrophobicContact CD1-CD1 4.29Å; L876-L899 HydrophobicContact CD1-CD2 4.34Å; L876-L899 HydrophobicContact CD2-CD1 3.99Å; L876-L899 HydrophobicContact CD2-CD2 4.48Å; L878-L899 HydrophobicContact CD2-CD2 4.32Å; L888-L899 HydrophobicContact CD1-CD2 4.12Å; L888-L899 HydrophobicContact CD2-CD2 4.15Å; G895-L899 PolarHBondContact O-N 3.02Å; K896-L899 WeakPolarHBondContact O-CA 3.32Å; K896-L899 VanDerWaalsContact O-CB 3.3Å; K896-L899 WeakPolarHBondContact O-CB 3.32Å; K896-L899 PolarHBondContact O-N 2.76Å; L899-K901 PolarHBondContact O-N 3.31Å; L899-L902 WeakPolarHBondContact O-CB 3.24Å; L899-L902 PolarHBondContact O-N 2.87Å; L899-L903 HydrophobicContact CG-CD1 4.24Å; L899-L903 WeakPolarHBondContact O-CG 3.42Å; L899-L903 PolarHBondContact O-N 3.4Å; L899-M1055 HydrophobicContact CD2-SD 4.14Å
900I88.3Confident82Confident1 Ų132.7 Ų32.71%0.00519%0.187CC..Hα-helixtrans-59.9-43.5172.2-70.4173.4000111.6K896 L902 L903 T904 W926 I1006 D1008 A1038K896-I900 PolarHBondContact O-N 3.27Å; I900-L902 VanDerWaalsContact C-N 3.29Å; I900-L902 PolarHBondContact O-N 3.27Å; I900-L903 PolarHBondContact O-N 3.41Å; I900-T904 HydrophobicContact CG2-CG2 4.3Å; I900-T904 WeakPolarHBondContact O-CB 3.48Å; I900-T904 WeakPolarHBondContact O-CG2 3.46Å; I900-T904 PolarHBondContact O-N 2.95Å; I900-T904 PolarHBondContact O-OG1 3.12Å; I900-W926 HydrophobicContact CG2-CH2 3.95Å; I900-W926 HydrophobicContact CG2-CZ3 3.9Å; I900-I1006 HydrophobicContact CB-CG2 4.47Å; I900-I1006 HydrophobicContact CD1-CG2 4.1Å; I900-I1006 HydrophobicContact CG1-CG2 3.88Å; I900-I1006 HydrophobicContact CG2-CG2 3.97Å; I900-D1008 HydrophobicContact CD1-CB 3.98Å; I900-D1008 VanDerWaalsContact CD1-OD1 3.28Å; I900-D1008 WeakPolarHBondContact CD1-OD1 3.49Å; I900-A1038 HydrophobicContact CD1-CB 3.75Å
901K85.2Confident82.4Confident49 Ų4934.8 Ų34.821%0.21320%0.201CC..Hα-helixtrans-66.3-26.9176.6-74.1-165.3175.4-166.80113.9S897 T898 L899 T904 G905 Q906 I907S897-K901 WeakPolarHBondContact O-CB 3.27Å; S897-K901 WeakPolarHBondContact O-CG 3.03Å; S897-K901 PolarHBondContact O-N 2.85Å; T898-K901 PolarHBondContact O-N 3.36Å; L899-K901 PolarHBondContact O-N 3.31Å; K901-T904 WeakPolarHBondContact CA-OG1 3.5Å; K901-G905 PolarHBondContact O-N 3.04Å; K901-Q906 HydrophobicContact CB-CB 4.22Å; K901-Q906 HydrophobicContact CG-CB 4.35Å; K901-Q906 PolarHBondContact O-N 3.15Å; K901-I907 HydrophobicContact CB-CB 4.23Å; K901-I907 HydrophobicContact CB-CD1 3.77Å; K901-I907 HydrophobicContact CB-CG1 3.93Å; K901-I907 HydrophobicContact CD-CD1 3.6Å; K901-I907 HydrophobicContact CD-CG1 4.21Å; K901-I907 HydrophobicContact CG-CD1 4.33Å; K901-I907 PolarHBondContact O-N 3.14Å
902L87.8Confident83Confident2 Ų234.5 Ų34.51%0.0121%0.21CC..Hα-helixtrans-74.2-46.8171.8-69163000111V863 K865 V873 T898 L899 I900 G905 I907 Q909V863-L902 HydrophobicContact CG1-CD1 3.92Å; K865-L902 HydrophobicContact CB-CD1 4.41Å; V873-L902 HydrophobicContact CG2-CD1 4.44Å; T898-L902 HydrophobicContact CG2-CD1 4.19Å; T898-L902 VanDerWaalsContact O-CG 3.28Å; T898-L902 WeakPolarHBondContact O-CG 3.42Å; T898-L902 PolarHBondContact O-N 3.24Å; L899-L902 WeakPolarHBondContact O-CB 3.24Å; L899-L902 PolarHBondContact O-N 2.87Å; I900-L902 VanDerWaalsContact C-N 3.29Å; I900-L902 PolarHBondContact O-N 3.27Å; L902-G905 PolarHBondContact O-N 3.49Å; L902-G905 VanDerWaalsContact O-N 3.12Å; L902-I907 HydrophobicContact CD2-CB 4.41Å; L902-I907 HydrophobicContact CD2-CG2 3.97Å; L902-Q909 HydrophobicContact CD2-CB 3.87Å
903L86.7Confident83.7Confident0 Ų038.3 Ų38.30%022%0.224CC..Hα-helixtrans-66-37.4179.5-70.6161.8000113.3A858 L860 F880 L899 I900 G905 V914 I1006 I1036A858-L903 HydrophobicContact CB-CD2 4.26Å; L860-L903 HydrophobicContact CD1-CD2 4.33Å; L860-L903 HydrophobicContact CD2-CD2 4.2Å; L860-L903 HydrophobicContact CG-CD2 4.28Å; F880-L903 HydrophobicContact CE2-CD1 3.88Å; F880-L903 HydrophobicContact CE2-CD2 4.02Å; F880-L903 HydrophobicContact CZ-CD1 4.15Å; L899-L903 HydrophobicContact CG-CD1 4.24Å; L899-L903 WeakPolarHBondContact O-CG 3.42Å; L899-L903 PolarHBondContact O-N 3.4Å; I900-L903 PolarHBondContact O-N 3.41Å; L903-G905 PolarHBondContact O-N 3.42Å; L903-V914 HydrophobicContact CD2-CG1 4.13Å; L903-I1006 HydrophobicContact CB-CD1 3.83Å; L903-I1036 HydrophobicContact CD1-CD1 3.8Å
904T83.8Confident84.5Confident11 Ų1134.7 Ų34.77%0.06719%0.186CC..THydrogen-bonded Turntrans-78.4-3.1173.654.30000113.6F844 I900 K901 Q906 V924 W926 I1006F844-T904 WeakPolarHBondContact CD1-O 3.3Å; I900-T904 HydrophobicContact CG2-CG2 4.3Å; I900-T904 WeakPolarHBondContact O-CB 3.48Å; I900-T904 WeakPolarHBondContact O-CG2 3.46Å; I900-T904 PolarHBondContact O-N 2.95Å; I900-T904 PolarHBondContact O-OG1 3.12Å; K901-T904 WeakPolarHBondContact CA-OG1 3.5Å; T904-Q906 VanDerWaalsContact C-N 3.25Å; T904-Q906 PolarHBondContact O-N 3.35Å; T904-V924 HydrophobicContact CG2-CG1 4.33Å; T904-V924 HydrophobicContact CG2-CG2 3.85Å; T904-W926 HydrophobicContact CG2-CH2 4.33Å; T904-W926 HydrophobicContact CG2-CZ2 4.3Å; T904-I1006 HydrophobicContact CG2-CD1 3.75Å
905G78.5Confident84.9Confident1 Ų136.1 Ų36.11%0.0119%0.193CC..THydrogen-bonded Turntrans71.78.6-179.400000115.4V845 V847 K901 L902 L903 I907V845-G905 WeakPolarHBondContact CB-O 3.27Å; V845-G905 PolarHBondContact N-O 3.19Å; V845-G905 WeakPolarHBondContact O-CA 3.32Å; V847-G905 VanDerWaalsContact CG2-CA 3.46Å; K901-G905 PolarHBondContact O-N 3.04Å; L902-G905 PolarHBondContact O-N 3.49Å; L902-G905 VanDerWaalsContact O-N 3.12Å; L903-G905 PolarHBondContact O-N 3.42Å; G905-I907 PolarHBondContact O-N 2.73Å
906Q77.5Confident85.1Confident15 Ų1536.4 Ų36.47%0.0719%0.192CC..SBendtrans-65.3-26.9175.3-69179.98.100112.6M662 F844 K901 T904M662-Q906 VanDerWaalsContact CE-CD 3.49Å; M662-Q906 VanDerWaalsContact CE-NE2 3.27Å; M662-Q906 VanDerWaalsContact CE-OE1 3.24Å; F844-Q906 HydrophobicContact CD1-CG 3.96Å; F844-Q906 HydrophobicContact CE1-CG 3.39Å; F844-Q906 HydrophobicContact CZ-CG 3.78Å; K901-Q906 HydrophobicContact CB-CB 4.22Å; K901-Q906 HydrophobicContact CG-CB 4.35Å; K901-Q906 PolarHBondContact O-N 3.15Å; T904-Q906 VanDerWaalsContact C-N 3.25Å; T904-Q906 PolarHBondContact O-N 3.35Å
907I79.3Confident84.6Confident21 Ų2136 Ų3611%0.10819%0.191CC..SBendtrans-129.1137.3-176.7-68.9-175.3000109.7K865 Y867 K901 L902 G905K865-I907 HydrophobicContact CD-CG2 3.78Å; K865-I907 VanDerWaalsContact CE-CG2 3.42Å; K865-I907 HydrophobicContact CG-CG2 4.25Å; Y867-I907 HydrophobicContact CE1-CD1 4.02Å; Y867-I907 WeakPolarHBondContact OH-CD1 3.44Å; K901-I907 HydrophobicContact CB-CB 4.23Å; K901-I907 HydrophobicContact CB-CD1 3.77Å; K901-I907 HydrophobicContact CB-CG1 3.93Å; K901-I907 HydrophobicContact CD-CD1 3.6Å; K901-I907 HydrophobicContact CD-CG1 4.21Å; K901-I907 HydrophobicContact CG-CD1 4.33Å; K901-I907 PolarHBondContact O-N 3.14Å; L902-I907 HydrophobicContact CD2-CB 4.41Å; L902-I907 HydrophobicContact CD2-CG2 3.97Å; G905-I907 PolarHBondContact O-N 2.73Å
908R81.2Confident83.9Confident178 Ų17834.4 Ų34.467%0.67219%0.185SC*.  trans-82.6133.7167.6-165.2177.8174.4172.2-1.9110.3V845 K865V845-R908 HydrophobicContact CG2-CB 4.22Å; K865-R908 WeakPolarHBondContact CD-O 3.42Å; K865-R908 PolarHBondContact NZ-O 3.48Å
909Q86.6Confident82.7Confident51 Ų5141.6 Ų41.624%0.23822%0.217CC..  trans-64149.4170.373.4-77.12000112V863 L902 S911 G912V863-Q909 HydrophobicContact CG1-CB 3.83Å; L902-Q909 HydrophobicContact CD2-CB 3.87Å; Q909-S911 WeakPolarHBondContact CB-O 3.44Å; Q909-S911 WeakPolarHBondContact CG-O 3.46Å; Q909-G912 WeakPolarHBondContact CG-O 3.33Å; Q909-G912 PolarHBondContact NE2-O 2.92Å
910S87.9Confident81.3Confident68 Ų6846.1 Ų46.148%0.47624%0.239SC..SBendtrans-81.2-37.5173.7-59.80000111.6S864 L866S864-S910 WeakPolarHBondContact O-CB 3.26Å; S864-S910 PolarHBondContact O-N 3.17Å; L866-S910 PolarHBondContact N-OG 3.22Å
911S88.5Confident80.5Confident45 Ų4548 Ų4832%0.31525%0.247SC..EExtended strand (participates in β ladder)trans-136.5163.9170.775.10000110.5N862 V863 S864 Q909N862-S911 PolarHBondContact O-OG 3Å; V863-S911 WeakPolarHBondContact CA-O 3.38Å; S864-S911 WeakPolarHBondContact CB-OG 3.42Å; S864-S911 PolarHBondContact N-O 3.39Å; S864-S911 VanDerWaalsContact N-O 3.14Å; S864-S911 PolarHBondContact N-OG 3.45Å; S864-S911 PolarHBondContact O-N 3.34Å; S864-S911 PolarHBondContact OG-OG 3.15Å; S864-S911 VanDerWaalsContact OG-OG 3.1Å; Q909-S911 WeakPolarHBondContact CB-O 3.44Å; Q909-S911 WeakPolarHBondContact CG-O 3.46Å
912G87.4Confident80.4Confident32 Ų3246.3 Ų46.333%0.3324%0.241SC..EExtended strand (participates in β ladder)trans83.7-174.6173.600000115.1V861 N862 Q909V861-G912 CarbonylContact O-C 3.39Å; V861-G912 WeakPolarHBondContact O-CA 3.42Å; N862-G912 VanDerWaalsContact O-CA 3.29Å; N862-G912 WeakPolarHBondContact O-CA 3.4Å; N862-G912 PolarHBondContact O-N 2.99Å; Q909-G912 WeakPolarHBondContact CG-O 3.33Å; Q909-G912 PolarHBondContact NE2-O 2.92Å
913K88.3Confident80.4Confident142 Ų14246.2 Ų46.262%0.61724%0.24SC*.EExtended strand (participates in β ladder)trans-126.6143.2-178.8-64.8179.9-177.3174.80110.6V861 V863V861-K913 PolarHBondContact N-O 3.18Å; V861-K913 PolarHBondContact O-N 3.42Å; V863-K913 WeakPolarHBondContact CG2-O 3.5Å
914V87.7Confident80.5Confident5 Ų546.3 Ų46.33%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-118.1124.3171.9-171.30000106.5V847 L860 V863 L903V847-V914 HydrophobicContact CG1-CB 3.96Å; V847-V914 HydrophobicContact CG1-CG1 3.76Å; V847-V914 WeakPolarHBondContact CG1-O 3.48Å; L860-V914 HydrophobicContact CD2-CB 4.47Å; L860-V914 HydrophobicContact CD2-CG1 3.96Å; L860-V914 HydrophobicContact CD2-CG2 4.05Å; V863-V914 HydrophobicContact CG1-CG2 4.39Å; V863-V914 HydrophobicContact CG2-CG2 4.2Å; L903-V914 HydrophobicContact CD2-CG1 4.13Å
915L87.5Confident80.8Confident34 Ų3445.9 Ų45.918%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-122.8136-173.6-58175.9000110.2S848 L852 A858 S859S848-L915 WeakPolarHBondContact O-CA 3.38Å; L852-L915 HydrophobicContact CD1-CB 4.03Å; L852-L915 HydrophobicContact CD2-CB 4.38Å; L852-L915 HydrophobicContact CD2-CD1 4.17Å; L852-L915 HydrophobicContact CG-CB 4.45Å; A858-L915 CarbonylContact C-O 3.56Å; A858-L915 VanDerWaalsContact CA-O 3.3Å; A858-L915 WeakPolarHBondContact CA-O 3.47Å; S859-L915 PolarHBondContact N-O 2.69Å; S859-L915 PolarHBondContact O-N 3.15Å
916L85.2Confident81.2Confident13 Ų1347 Ų477%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-121.1143174.2-59.9177.2000110.7V847 S848 R849 S850 A858 V922 V1004V847-L916 HydrophobicContact CB-CD1 3.87Å; V847-L916 HydrophobicContact CB-CG 4.3Å; V847-L916 HydrophobicContact CG1-CD1 3.92Å; V847-L916 HydrophobicContact CG1-CG 3.8Å; V847-L916 HydrophobicContact CG2-CD1 4.32Å; S848-L916 PolarHBondContact O-N 3.19Å; R849-L916 WeakPolarHBondContact CA-O 3.47Å; R849-L916 HydrophobicContact CG-CB 4.45Å; S850-L916 PolarHBondContact N-O 3.02Å; A858-L916 HydrophobicContact CB-CD2 3.65Å; L916-V922 HydrophobicContact CD1-CG2 3.81Å; L916-V1004 HydrophobicContact CD2-CG2 4.46Å
917A73.5Confident81.2Confident1 Ų150.4 Ų50.41%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-92.9133.3-175.500000112.9L852 L856 G857 S1003L852-A917 HydrophobicContact CB-CB 4.02Å; L852-A917 HydrophobicContact CD1-CB 3.99Å; L856-A917 WeakPolarHBondContact O-CB 3.34Å; G857-A917 VanDerWaalsContact O-CB 3.29Å; G857-A917 WeakPolarHBondContact O-CB 3.43Å; G857-A917 PolarHBondContact O-N 3.15Å; A917-S1003 WeakPolarHBondContact O-CB 3.46Å; A917-S1003 PolarHBondContact O-OG 3.25Å
918G66Low81Confident35 Ų3553 Ų5336%0.36127%0.273SS..SBendtrans80.2177.7175.400000114.8
919E61.4Low81.1Confident169 Ų16947.8 Ų47.879%0.7926%0.258SS*.SBendtrans-88.7-19.3-179.5-58.9-150.112500113.8R849R849-E919 VanDerWaalsContact CZ-O 3.29Å; R849-E919 PolarHBondContact NH1-O 2.8Å; R849-E919 PolarHBondContact NH2-O 2.86Å
920H59.7Low81.1Confident96 Ų9646 Ų4644%0.44425%0.25SC..SBendtrans-59.8154.2178.9-55.2-77000111.9R849R849-H920 PolarHBondContact NH2-O 3.01Å
921Q71.4Confident81.2Confident40 Ų4043.6 Ų43.619%0.18723%0.232CC..PPolyproline II helixtrans-86.7166.6-179-66.9155.5-21.900110.9M667 G668 I947 K948 P1002M667-Q921 VanDerWaalsContact O-CB 3.29Å; M667-Q921 WeakPolarHBondContact O-CB 3.44Å; M667-Q921 PolarHBondContact O-OE1 3.33Å; G668-Q921 PolarHBondContact O-NE2 3.28Å; Q921-I947 PolarHBondContact OE1-O 2.93Å; Q921-K948 VanDerWaalsContact OE1-CA 3.27Å; Q921-P1002 WeakPolarHBondContact O-CB 3.4Å
922V82.8Confident81.2Confident13 Ų1341.6 Ų41.68%0.07922%0.217CC..PPolyproline II helixtrans-85.5133-178-178.30000109.8L916 V924 V1004 I1006L916-V922 HydrophobicContact CD1-CG2 3.81Å; V922-V924 HydrophobicContact CG1-CG2 3.96Å; V922-V1004 WeakPolarHBondContact CA-O 3.5Å; V922-V1004 HydrophobicContact CG1-CB 4.39Å; V922-V1004 HydrophobicContact CG1-CG1 4.38Å; V922-I1006 HydrophobicContact CG1-CD1 3.83Å; V922-I1006 HydrophobicContact CG1-CG1 3.99Å
923G87.8Confident81.1Confident0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-79.2134.7166.900000110.7A997 V1004 V1005 I1006G923-A997 WeakPolarHBondContact CA-O 3.27Å; G923-V1004 PolarHBondContact N-O 3.42Å; G923-V1005 CarbonylContact O-C 3.53Å; G923-V1005 WeakPolarHBondContact O-CA 3.41Å; G923-I1006 PolarHBondContact O-N 2.84Å
924V89.3Confident81Confident2 Ų237.1 Ų37.11%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-137.2132.3-179.7-168.70000111.7M667 T904 V922 W926 I1006M667-V924 WeakPolarHBondContact CE-O 3.24Å; T904-V924 HydrophobicContact CG2-CG1 4.33Å; T904-V924 HydrophobicContact CG2-CG2 3.85Å; V922-V924 HydrophobicContact CG1-CG2 3.96Å; V924-W926 HydrophobicContact CG1-CD2 4.18Å; V924-W926 HydrophobicContact CG1-CG 4.47Å; V924-W926 HydrophobicContact CG1-CH2 4.48Å; V924-W926 HydrophobicContact CG1-CZ2 3.68Å; V924-I1006 CarbonylContact C-O 3.55Å; V924-I1006 WeakPolarHBondContact CA-O 3.33Å
925C89.8Confident81.1Confident3 Ų337.1 Ų37.12%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-120.9124.2164.9-1700000108.5A997 I1006 L1007 D1008C925-A997 HydrophobicContact CB-CB 4.12Å; C925-I1006 PolarHBondContact N-O 3.14Å; C925-L1007 HydrophobicContact CB-CD2 3.55Å; C925-D1008 PolarHBondContact O-N 3.34Å
926W86.1Confident81.2Confident24 Ų2436.1 Ų36.19%0.09119%0.192CC..  trans-92.9166.8178.4-63.796000111I900 T904 V924 D928 I930 R990 D1008I900-W926 HydrophobicContact CG2-CH2 3.95Å; I900-W926 HydrophobicContact CG2-CZ3 3.9Å; T904-W926 HydrophobicContact CG2-CH2 4.33Å; T904-W926 HydrophobicContact CG2-CZ2 4.3Å; V924-W926 HydrophobicContact CG1-CD2 4.18Å; V924-W926 HydrophobicContact CG1-CG 4.47Å; V924-W926 HydrophobicContact CG1-CH2 4.48Å; V924-W926 HydrophobicContact CG1-CZ2 3.68Å; W926-D928 VanDerWaalsContact C-N 3.26Å; W926-D928 PolarHBondContact O-N 3.21Å; W926-I930 HydrophobicContact CB-CD1 4.16Å; W926-I930 HydrophobicContact CG-CD1 4.12Å; W926-R990 PolarHBondContact O-NH1 3.08Å; W926-R990 PolarHBondContact O-NH2 3.12Å; W926-D1008 CarbonylContact C-O 3.18Å
927Q78.4Confident81.4Confident87 Ų8735.5 Ų35.541%0.40719%0.189SC..SBendtrans-52.4-43.6173-166.8-17827.500112.2R990 D1008 E1009Q927-R990 PolarHBondContact O-NH1 3.21Å; Q927-R990 VanDerWaalsContact O-NH1 3.16Å; Q927-R990 PolarHBondContact O-NH2 3.05Å; Q927-D1008 PolarHBondContact N-O 3.22Å; Q927-E1009 HydrophobicContact CG-CB 4.29Å; Q927-E1009 PolarHBondContact NE2-OE2 3.41Å
928D74.8Confident82.3Confident76 Ų7640.6 Ų40.641%0.40621%0.208SC..SBendtrans-76.7146176.9-65.8-60.3000113.4R659 W926 I930R659-D928 IonicContact CZ-OD2 3.18Å; R659-D928 IonicContact NH1-OD2 2.74Å; R659-D928 PolarHBondContact NH1-OD2 3.38Å; R659-D928 IonicContact NH2-OD2 2.76Å; R659-D928 PolarHBondContact NH2-OD2 2.87Å; W926-D928 VanDerWaalsContact C-N 3.26Å; W926-D928 PolarHBondContact O-N 3.21Å; D928-I930 VanDerWaalsContact C-N 3.35Å; D928-I930 HydrophobicContact CB-CG1 4.28Å; D928-I930 PolarHBondContact O-N 2.8Å
929N83.1Confident83.4Confident68 Ų6840.6 Ų40.636%0.36420%0.198SC..  trans-8175.3174.9-72.3-43.7000112L931 R989 R990N929-L931 PolarHBondContact O-N 3.49Å; N929-L931 VanDerWaalsContact O-N 3.15Å; N929-R989 HydrophobicContact CB-CB 4.46Å; N929-R990 WeakPolarHBondContact OD1-CD 3.4Å; N929-R990 PolarHBondContact OD1-NH1 3.49Å
930I87.3Confident84.9Confident13 Ų1332.6 Ų32.67%0.06716%0.161CC..  trans-73.3100.8179.3-60.1166.6000109.9R659 N660 L663 W926 D928R659-I930 HydrophobicContact CB-CD1 3.81Å; R659-I930 HydrophobicContact CB-CG1 4.26Å; N660-I930 HydrophobicContact CB-CG2 4.48Å; L663-I930 HydrophobicContact CB-CG2 4.05Å; L663-I930 HydrophobicContact CD2-CB 4.05Å; L663-I930 HydrophobicContact CD2-CG2 3.76Å; W926-I930 HydrophobicContact CB-CD1 4.16Å; W926-I930 HydrophobicContact CG-CD1 4.12Å; D928-I930 VanDerWaalsContact C-N 3.35Å; D928-I930 HydrophobicContact CB-CG1 4.28Å; D928-I930 PolarHBondContact O-N 2.8Å
931L88.9Confident86.3Confident17 Ų1728 Ų289%0.08914%0.14CC..  trans-138.9163.2179.6-65.6172.2000110.5N660 N929 R989 L992 I996N660-L931 PolarHBondContact ND2-O 2.82Å; N929-L931 PolarHBondContact O-N 3.49Å; N929-L931 VanDerWaalsContact O-N 3.15Å; L931-R989 HydrophobicContact CD1-CB 3.75Å; L931-R989 HydrophobicContact CD1-CG 3.95Å; L931-L992 HydrophobicContact CD1-CD2 4.18Å; L931-L992 HydrophobicContact CD2-CD2 3.9Å; L931-L992 HydrophobicContact CD2-CG 4.01Å; L931-I996 HydrophobicContact CD2-CD1 3.68Å
932I89.5Confident87.2Confident3 Ų328.1 Ų28.12%0.01514%0.14CC..  trans-97.7117.7172.9-62.7175.7000108.1K16 V20 W654 M664 T934 L935 H940 S981K16-I932 HydrophobicContact CD-CD1 3.98Å; K16-I932 HydrophobicContact CG-CD1 4.4Å; V20-I932 HydrophobicContact CG2-CG2 4.22Å; W654-I932 HydrophobicContact CH2-CB 4.4Å; W654-I932 HydrophobicContact CH2-CG1 4.19Å; W654-I932 HydrophobicContact CH2-CG2 4.12Å; M664-I932 HydrophobicContact CE-CD1 4.05Å; I932-T934 VanDerWaalsContact C-N 3.32Å; I932-T934 PolarHBondContact O-N 3.06Å; I932-L935 HydrophobicContact CB-CB 4.41Å; I932-L935 HydrophobicContact CB-CD1 4.01Å; I932-L935 HydrophobicContact CB-CG 4.2Å; I932-L935 HydrophobicContact CD1-CD1 3.9Å; I932-L935 HydrophobicContact CG2-CB 4.36Å; I932-L935 HydrophobicContact CG2-CD1 3.99Å; I932-L935 HydrophobicContact CG2-CG 3.83Å; I932-L935 PolarHBondContact O-N 3.48Å; I932-H940 PolarHBondContact N-NE2 3.02Å; I932-H940 PolarHBondContact O-CE1 3.08Å; I932-H940 PolarHBondContact O-NE2 3.11Å; I932-S981 VanDerWaalsContact C-OG 3.32Å; I932-S981 PolarHBondContact O-OG 2.87Å
933P85.5Confident87.4Confident51 Ų5127.9 Ų27.933%0.33114%0.138SC..THydrogen-bonded Turntrans-60.2-40.6-168.421.8-32.3000112.6W654 L935 S981 W982W654-P933 HydrophobicContact CZ2-CG 4.07Å; P933-L935 PolarHBondContact O-N 3.23Å; P933-S981 VanDerWaalsContact CA-OG 3.3Å; P933-S981 WeakPolarHBondContact CA-OG 3.49Å; P933-S981 PolarHBondContact O-N 3.36Å; P933-S981 VanDerWaalsContact O-N 3.17Å; P933-W982 HydrophobicContact CB-CB 3.98Å; P933-W982 VanDerWaalsContact O-CD1 3.3Å; P933-W982 PolarHBondContact O-N 2.92Å
934T86Confident87.5Confident30 Ų3028 Ų2818%0.18414%0.139CC..THydrogen-bonded Turntrans-79-11.2-174.647.10000115.2R23 I932R23-T934 WeakPolarHBondContact CD-O 3.26Å; R23-T934 PolarHBondContact NH1-O 3.16Å; I932-T934 VanDerWaalsContact C-N 3.32Å; I932-T934 PolarHBondContact O-N 3.06Å
935L89.1Confident87.4Confident4 Ų427.9 Ų27.92%0.02114%0.138CC..SBendtrans-92.2146.1178.6-67.5-179.2000111.6K16 L19 V20 I932 P933 E939 H940 P980 S981K16-L935 HydrophobicContact CG-CD1 4.23Å; L19-L935 HydrophobicContact CB-CD2 4.44Å; V20-L935 HydrophobicContact CG2-CD2 4.32Å; V20-L935 HydrophobicContact CG2-CG 4.43Å; I932-L935 HydrophobicContact CB-CB 4.41Å; I932-L935 HydrophobicContact CB-CD1 4.01Å; I932-L935 HydrophobicContact CB-CG 4.2Å; I932-L935 HydrophobicContact CD1-CD1 3.9Å; I932-L935 HydrophobicContact CG2-CB 4.36Å; I932-L935 HydrophobicContact CG2-CD1 3.99Å; I932-L935 HydrophobicContact CG2-CG 3.83Å; I932-L935 PolarHBondContact O-N 3.48Å; P933-L935 PolarHBondContact O-N 3.23Å; L935-E939 WeakPolarHBondContact CA-OE2 3.47Å; L935-E939 HydrophobicContact CB-CB 4.34Å; L935-E939 HydrophobicContact CD2-CB 4.36Å; L935-E939 WeakPolarHBondContact CD2-OE2 2.98Å; L935-H940 VanDerWaalsContact CB-CE1 3.5Å; L935-H940 WeakPolarHBondContact CB-CE1 3.48Å; L935-H940 PolarHBondContact O-CE1 2.91Å; L935-P980 WeakPolarHBondContact O-CA 3.46Å; L935-S981 PolarHBondContact O-N 3.48Å
936T90.3Very high87Confident14 Ų1428.7 Ų28.79%0.08614%0.142CC..BIsolated β-bridgetrans-75.4163.8175.768.50000111.4R938 E939 H940 S978 Y979T936-R938 VanDerWaalsContact C-N 3.27Å; T936-R938 PolarHBondContact O-N 3.09Å; T936-E939 PolarHBondContact N-OE2 3.26Å; T936-E939 PolarHBondContact O-N 3.25Å; T936-E939 VanDerWaalsContact OG1-CG 3.27Å; T936-E939 WeakPolarHBondContact OG1-CG 3.38Å; T936-E939 PolarHBondContact OG1-N 3.24Å; T936-E939 PolarHBondContact OG1-OE1 3.2Å; T936-E939 PolarHBondContact OG1-OE2 3.4Å; T936-H940 PolarHBondContact O-N 3.08Å; T936-H940 VanDerWaalsContact O-N 3.15Å; T936-H940 PolarHBondContact O-ND1 2.86Å; T936-S978 WeakPolarHBondContact CG2-O 3.48Å; T936-Y979 WeakPolarHBondContact CA-O 3.32Å
937A89.1Confident86.8Confident0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-58.2-42.3174.900000111.7E939 H940 L941 F973 E977 Y979 L992A937-E939 PolarHBondContact O-N 3.47Å; A937-H940 PolarHBondContact O-N 2.84Å; A937-L941 WeakPolarHBondContact O-CG 3.34Å; A937-L941 PolarHBondContact O-N 3.36Å; A937-F973 HydrophobicContact CB-CD2 3.64Å; A937-F973 HydrophobicContact CB-CE2 3.56Å; A937-E977 PolarHBondContact N-O 3.43Å; A937-Y979 PolarHBondContact N-O 3.16Å; A937-L992 HydrophobicContact CB-CD1 4.1Å; A937-L992 HydrophobicContact CB-CD2 4.1Å
938R91.2Very high86.9Confident108 Ų10824.5 Ų24.541%0.40812%0.123SC..Hα-helixtrans-61.5-40.1177-174.7160.7-172.8169.62.2113.3T936 L941 Q942 V964 L968 E977T936-R938 VanDerWaalsContact C-N 3.27Å; T936-R938 PolarHBondContact O-N 3.09Å; R938-L941 PolarHBondContact O-N 3.22Å; R938-Q942 WeakPolarHBondContact O-CG 3.48Å; R938-Q942 PolarHBondContact O-N 2.94Å; R938-V964 HydrophobicContact CG-CG1 4.45Å; R938-L968 HydrophobicContact CB-CD1 3.97Å; R938-L968 HydrophobicContact CG-CD1 3.77Å; R938-E977 WeakPolarHBondContact CD-OE1 3.37Å; R938-E977 IonicContact CZ-OE1 3.78Å; R938-E977 PolarHBondContact N-O 2.58Å; R938-E977 IonicContact NE-OE1 3.18Å; R938-E977 IonicContact NH1-OE1 3.69Å; R938-E977 PolarHBondContact NH1-OE1 2.85Å; R938-E977 IonicContact NH1-OE2 2.99Å
939E91Very high87.1Confident35 Ų3521.8 Ų21.816%0.16411%0.108CC..Hα-helixtrans-71-37.7179-74.9153.7-165.500113.5R23 L935 T936 A937 L941 Q942 L943R23-E939 IonicContact CZ-OE1 3.35Å; R23-E939 IonicContact CZ-OE2 2.69Å; R23-E939 IonicContact NH1-OE1 2.76Å; R23-E939 PolarHBondContact NH1-OE1 2.79Å; R23-E939 IonicContact NH1-OE2 3.99Å; R23-E939 PolarHBondContact NH1-OE2 2.98Å; R23-E939 IonicContact NH2-OE1 2.84Å; R23-E939 PolarHBondContact NH2-OE1 3.25Å; R23-E939 IonicContact NH2-OE2 2.66Å; L935-E939 WeakPolarHBondContact CA-OE2 3.47Å; L935-E939 HydrophobicContact CB-CB 4.34Å; L935-E939 HydrophobicContact CD2-CB 4.36Å; L935-E939 WeakPolarHBondContact CD2-OE2 2.98Å; T936-E939 PolarHBondContact N-OE2 3.26Å; T936-E939 PolarHBondContact O-N 3.25Å; T936-E939 VanDerWaalsContact OG1-CG 3.27Å; T936-E939 WeakPolarHBondContact OG1-CG 3.38Å; T936-E939 PolarHBondContact OG1-N 3.24Å; T936-E939 PolarHBondContact OG1-OE1 3.2Å; T936-E939 PolarHBondContact OG1-OE2 3.4Å; A937-E939 PolarHBondContact O-N 3.47Å; E939-L941 VanDerWaalsContact C-N 3.3Å; E939-L941 PolarHBondContact O-N 2.99Å; E939-Q942 PolarHBondContact O-N 3.01Å; E939-L943 WeakPolarHBondContact O-CB 3.47Å; E939-L943 PolarHBondContact O-N 3Å
940H91.5Very high86.5Confident1 Ų122.3 Ų22.31%0.00512%0.116CC..Hα-helixtrans-57.6-47.3172.9-75.983.5000110.5I932 L935 T936 A937 L943 Y944 L992 I996I932-H940 PolarHBondContact N-NE2 3.02Å; I932-H940 PolarHBondContact O-CE1 3.08Å; I932-H940 PolarHBondContact O-NE2 3.11Å; L935-H940 VanDerWaalsContact CB-CE1 3.5Å; L935-H940 WeakPolarHBondContact CB-CE1 3.48Å; L935-H940 PolarHBondContact O-CE1 2.91Å; T936-H940 PolarHBondContact O-N 3.08Å; T936-H940 VanDerWaalsContact O-N 3.15Å; T936-H940 PolarHBondContact O-ND1 2.86Å; A937-H940 PolarHBondContact O-N 2.84Å; H940-L943 PolarHBondContact O-N 3.12Å; H940-Y944 VanDerWaalsContact O-CD2 3.24Å; H940-Y944 WeakPolarHBondContact O-CD2 3.31Å; H940-Y944 PolarHBondContact O-N 3.43Å; H940-L992 HydrophobicContact CB-CD1 4.37Å; H940-I996 HydrophobicContact CB-CD1 3.91Å; H940-I996 HydrophobicContact CB-CG1 4.41Å
941L90.3Very high85.2Confident0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-64.5-42.3180-63.3175.8000111.7A937 R938 E939 Y944 A945 V964 T967 L968 L971 L992 A995 I996 I999A937-L941 WeakPolarHBondContact O-CG 3.34Å; A937-L941 PolarHBondContact O-N 3.36Å; R938-L941 PolarHBondContact O-N 3.22Å; E939-L941 VanDerWaalsContact C-N 3.3Å; E939-L941 PolarHBondContact O-N 2.99Å; L941-Y944 PolarHBondContact O-N 3.46Å; L941-A945 VanDerWaalsContact O-CB 3.28Å; L941-A945 WeakPolarHBondContact O-CB 3.35Å; L941-A945 PolarHBondContact O-N 3.28Å; L941-V964 HydrophobicContact CB-CG1 4Å; L941-V964 HydrophobicContact CB-CG2 4.1Å; L941-T967 HydrophobicContact CD1-CG2 3.87Å; L941-T967 HydrophobicContact CD2-CG2 4.05Å; L941-L968 HydrophobicContact CD1-CD2 3.68Å; L941-L968 HydrophobicContact CD1-CG 3.77Å; L941-L971 HydrophobicContact CD1-CD1 4.13Å; L941-L992 HydrophobicContact CD2-CD1 4.19Å; L941-L992 HydrophobicContact CG-CD1 4.16Å; L941-A995 HydrophobicContact CD2-CB 3.85Å; L941-I996 HydrophobicContact CD2-CG1 4.06Å; L941-I999 HydrophobicContact CB-CD1 3.73Å; L941-I999 HydrophobicContact CD2-CD1 3.95Å; L941-I999 HydrophobicContact CG-CD1 4.37Å; L941-I999 WeakPolarHBondContact O-CD1 3.26Å
942Q88.9Confident83.8Confident41 Ų4129.5 Ų29.519%0.19218%0.178CC..Hα-helixtrans-57.5-50.7173.3-73-1799.400112.1R15 R938 E939 Y944 A945 Q946 V964R15-Q942 VanDerWaalsContact NH2-OE1 3.16Å; R938-Q942 WeakPolarHBondContact O-CG 3.48Å; R938-Q942 PolarHBondContact O-N 2.94Å; E939-Q942 PolarHBondContact O-N 3.01Å; Q942-Y944 PolarHBondContact O-N 3.1Å; Q942-A945 PolarHBondContact O-N 2.92Å; Q942-Q946 WeakPolarHBondContact O-CB 3.39Å; Q942-Q946 WeakPolarHBondContact O-CG 3.29Å; Q942-Q946 PolarHBondContact O-N 3.43Å; Q942-Q946 PolarHBondContact O-OE1 3.42Å; Q942-V964 HydrophobicContact CG-CG1 4.15Å; Q942-V964 HydrophobicContact CG-CG2 4.08Å
943L88.3Confident82.3Confident8 Ų831.3 Ų31.34%0.04220%0.197CC..Hα-helixtrans-59.2-46.8-179177.764.3000112.2E12 K16 M664 E939 H940 Q946 I947E12-L943 HydrophobicContact CB-CD1 4.41Å; K16-L943 HydrophobicContact CB-CD1 4.29Å; K16-L943 HydrophobicContact CB-CD2 4.36Å; K16-L943 HydrophobicContact CD-CD2 3.76Å; K16-L943 HydrophobicContact CG-CD2 3.98Å; M664-L943 HydrophobicContact CE-CD2 3.94Å; E939-L943 WeakPolarHBondContact O-CB 3.47Å; E939-L943 PolarHBondContact O-N 3Å; H940-L943 PolarHBondContact O-N 3.12Å; L943-Q946 PolarHBondContact O-N 2.96Å; L943-I947 HydrophobicContact CD1-CD1 4.1Å; L943-I947 HydrophobicContact CG-CD1 4.13Å; L943-I947 WeakPolarHBondContact O-CG1 3.5Å; L943-I947 PolarHBondContact O-N 3.48Å; L943-I947 VanDerWaalsContact O-N 3.12Å
944Y88.9Confident80.7Confident2 Ų235.5 Ų35.51%0.00823%0.227CC..Hα-helixtrans-74.7-30.4-178.5-76.9-71.6000113.3L663 M664 M667 H940 L941 Q942 K948 I996L663-Y944 WeakPolarHBondContact CD2-OH 3.37Å; M664-Y944 HydrophobicContact CG-CE1 3.8Å; M667-Y944 HydrophobicContact SD-CD1 3.52Å; M667-Y944 VanDerWaalsContact SD-CD1 3.52Å; M667-Y944 HydrophobicContact SD-CE1 3.71Å; M667-Y944 HydrophobicContact SD-CG 4.38Å; H940-Y944 VanDerWaalsContact O-CD2 3.24Å; H940-Y944 WeakPolarHBondContact O-CD2 3.31Å; H940-Y944 PolarHBondContact O-N 3.43Å; L941-Y944 PolarHBondContact O-N 3.46Å; Q942-Y944 PolarHBondContact O-N 3.1Å; Y944-K948 WeakPolarHBondContact O-CB 3.45Å; Y944-K948 WeakPolarHBondContact O-CG 3.49Å; Y944-K948 PolarHBondContact O-N 2.98Å; Y944-I996 HydrophobicContact CD1-CG2 3.99Å; Y944-I996 HydrophobicContact CD2-CB 4.27Å; Y944-I996 HydrophobicContact CD2-CD1 4.08Å; Y944-I996 HydrophobicContact CD2-CG1 3.9Å; Y944-I996 HydrophobicContact CD2-CG2 3.39Å; Y944-I996 HydrophobicContact CE1-CG2 4.2Å; Y944-I996 HydrophobicContact CE2-CD1 4.08Å; Y944-I996 HydrophobicContact CE2-CG1 4.36Å; Y944-I996 HydrophobicContact CE2-CG2 3.66Å; Y944-I996 HydrophobicContact CG-CG2 3.58Å
945A87.2Confident79.3Confident0 Ų036 Ų360%024%0.239CC..Hα-helixtrans-63.9-43168.900000111.6L941 Q942 I947 K948 I949 I960 V964 I999L941-A945 VanDerWaalsContact O-CB 3.28Å; L941-A945 WeakPolarHBondContact O-CB 3.35Å; L941-A945 PolarHBondContact O-N 3.28Å; Q942-A945 PolarHBondContact O-N 2.92Å; A945-I947 PolarHBondContact O-N 3.36Å; A945-K948 PolarHBondContact O-N 3.42Å; A945-I949 WeakPolarHBondContact O-CB 3.33Å; A945-I949 WeakPolarHBondContact O-CG1 3.24Å; A945-I949 PolarHBondContact O-N 2.95Å; A945-I960 HydrophobicContact CB-CG1 4.44Å; A945-I960 HydrophobicContact CB-CG2 4.07Å; A945-V964 HydrophobicContact CB-CG2 4.23Å; A945-I999 HydrophobicContact CB-CD1 3.95Å; A945-I999 HydrophobicContact CB-CG1 4.13Å
946Q82.8Confident78.1Confident21 Ų2136.3 Ų36.310%0.09824%0.243CC..Hα-helixtrans-64-35.6179-75.8167-38.600114.1E12 R15 Q942 L943 I960E12-Q946 HydrophobicContact CB-CB 4.35Å; E12-Q946 VanDerWaalsContact CD-CD 3.41Å; E12-Q946 HydrophobicContact CG-CB 3.96Å; E12-Q946 HydrophobicContact CG-CG 4.09Å; E12-Q946 PolarHBondContact OE1-NE2 3.02Å; E12-Q946 VanDerWaalsContact OE2-CD 3.28Å; E12-Q946 PolarHBondContact OE2-NE2 3.49Å; E12-Q946 PolarHBondContact OE2-OE1 2.98Å; R15-Q946 VanDerWaalsContact NH1-NE2 3.11Å; Q942-Q946 WeakPolarHBondContact O-CB 3.39Å; Q942-Q946 WeakPolarHBondContact O-CG 3.29Å; Q942-Q946 PolarHBondContact O-N 3.43Å; Q942-Q946 PolarHBondContact O-OE1 3.42Å; L943-Q946 PolarHBondContact O-N 2.96Å; Q946-I960 HydrophobicContact CB-CD1 4.45Å; Q946-I960 HydrophobicContact CG-CD1 3.53Å; Q946-I960 HydrophobicContact CG-CG1 4.49Å; Q946-I960 HydrophobicContact CG-CG2 4.42Å
947I80.6Confident77.3Confident10 Ų1039.8 Ų39.85%0.05126%0.264CS..Hα-helixtrans-71.6-36.3175.5-68.4165.8000111L669 Q921 L943 A945L669-I947 HydrophobicContact CB-CG2 4.28Å; L669-I947 HydrophobicContact CD1-CD1 4.46Å; L669-I947 HydrophobicContact CD1-CG1 4.38Å; L669-I947 HydrophobicContact CD1-CG2 4.37Å; Q921-I947 PolarHBondContact OE1-O 2.93Å; L943-I947 HydrophobicContact CD1-CD1 4.1Å; L943-I947 HydrophobicContact CG-CD1 4.13Å; L943-I947 WeakPolarHBondContact O-CG1 3.5Å; L943-I947 PolarHBondContact O-N 3.48Å; L943-I947 VanDerWaalsContact O-N 3.12Å; A945-I947 PolarHBondContact O-N 3.36Å
948K81.6Confident76.8Confident12 Ų1246.4 Ų46.45%0.05230%0.295CS..Hα-helixtrans-84.2-34.8-174.2-76.1176.9172.4175.20115.6Q921 Y944 A945 I996 A997 I999 A1000Q921-K948 VanDerWaalsContact OE1-CA 3.27Å; Y944-K948 WeakPolarHBondContact O-CB 3.45Å; Y944-K948 WeakPolarHBondContact O-CG 3.49Å; Y944-K948 PolarHBondContact O-N 2.98Å; A945-K948 PolarHBondContact O-N 3.42Å; K948-I996 PolarHBondContact NZ-O 2.7Å; K948-A997 PolarHBondContact NZ-O 2.82Å; K948-I999 HydrophobicContact CD-CG2 4.27Å; K948-I999 WeakPolarHBondContact CD-O 3.19Å; K948-I999 PolarHBondContact NZ-O 2.98Å; K948-A1000 HydrophobicContact CB-CB 3.53Å; K948-A1000 HydrophobicContact CD-CB 3.99Å; K948-A1000 HydrophobicContact CG-CB 4.45Å
949I78.1Confident76.3Confident20 Ų2045.7 Ų45.710%0.10330%0.296CS..SBendtrans-80.3122.5-176.4-64.5174.1000109.7R8 A945 I960 A1000R8-I949 PolarHBondContact NH1-O 3.24Å; A945-I949 WeakPolarHBondContact O-CB 3.33Å; A945-I949 WeakPolarHBondContact O-CG1 3.24Å; A945-I949 PolarHBondContact O-N 2.95Å; I949-I960 HydrophobicContact CD1-CG1 3.84Å; I949-A1000 HydrophobicContact CD1-CB 4.13Å; I949-A1000 HydrophobicContact CG1-CB 3.63Å
950P70Confident75.9Confident79 Ų7944.5 Ų44.551%0.51329%0.291SS..  trans-65.6154.417927.6-34.3000111.7R8 G952R8-P950 PolarHBondContact NH1-O 2.91Å; R8-P950 VanDerWaalsContact NH1-O 3.17Å; P950-G952 PolarHBondContact O-N 3.32Å; P950-G952 VanDerWaalsContact O-N 3.15Å
951P60.9Low75.6Confident105 Ų10552 Ų5268%0.68232%0.319SS*.THydrogen-bonded Turntrans-78.28.7-17332.7-37.4000115.1
952G58.4Low75.5Confident76 Ų7655.2 Ų55.278%0.78434%0.342SS*.THydrogen-bonded Turntrans-94.3-1.3-170.900000116.6P950P950-G952 PolarHBondContact O-N 3.32Å; P950-G952 VanDerWaalsContact O-N 3.15Å
953G58.6Low75.3Confident40 Ų4054.8 Ų54.841%0.41234%0.34SS..  trans-98.4127.4-178.100000113.1G955 G956G953-G955 PolarHBondContact O-N 3.29Å; G953-G955 VanDerWaalsContact O-N 3.15Å; G953-G956 PolarHBondContact O-N 3.43Å; G953-G956 VanDerWaalsContact O-N 3.12Å
954S51.3Low75.3Confident139 Ų13954.6 Ų54.697%0.97234%0.338SS*.THydrogen-bonded Turntrans-63.3-19.6-175.2-48.50000115.2
955G57Low75.3Confident41 Ų4156.3 Ų56.342%0.42335%0.353SS..THydrogen-bonded Turntrans-92.96.517700000115G953 V957 E958 E959G953-G955 PolarHBondContact O-N 3.29Å; G953-G955 VanDerWaalsContact O-N 3.15Å; G955-V957 PolarHBondContact O-N 3.02Å; G955-E958 PolarHBondContact O-N 3.26Å; G955-E959 PolarHBondContact O-N 3.2Å
956G64.3Low75.3Confident10 Ų1061.7 Ų61.710%0.10338%0.378CS..THydrogen-bonded Turntrans-64.10.7-153.400000119.4R8 G953 I960R8-G956 PolarHBondContact NH2-O 3.11Å; G953-G956 PolarHBondContact O-N 3.43Å; G953-G956 VanDerWaalsContact O-N 3.12Å; G956-I960 WeakPolarHBondContact O-CD1 3.21Å; G956-I960 WeakPolarHBondContact O-CG1 3.35Å
957V72.9Confident75.4Confident87 Ų8761.1 Ų61.153%0.52738%0.376SS..THydrogen-bonded Turntrans-103.4-36.1169.5175.70000111.6G955 R961G955-V957 PolarHBondContact O-N 3.02Å; V957-R961 WeakPolarHBondContact O-CG 3.44Å; V957-R961 PolarHBondContact O-N 3.28Å
958E78.4Confident75.6Confident140 Ų14061.2 Ų61.265%0.65438%0.377SS*.Hα-helixtrans-75.9-37.9177.3-59.9-169.6147.400110.6G955 I960 R961 S962G955-E958 PolarHBondContact O-N 3.26Å; E958-I960 VanDerWaalsContact C-N 3.3Å; E958-I960 PolarHBondContact O-N 3.11Å; E958-R961 WeakPolarHBondContact O-CA 3.43Å; E958-R961 WeakPolarHBondContact O-CB 3.24Å; E958-R961 PolarHBondContact O-N 3.5Å; E958-S962 PolarHBondContact O-N 2.88Å; E958-S962 PolarHBondContact O-OG 3.41Å
959E81.9Confident75.7Confident93 Ų9367 Ų6744%0.43540%0.404SS..Hα-helixtrans-54.8-40.5169.3-174.1-177.2-166.100112.7G955 S962 E963G955-E959 PolarHBondContact O-N 3.2Å; E959-S962 PolarHBondContact O-OG 3.39Å; E959-S962 VanDerWaalsContact O-OG 3.09Å; E959-E963 VanDerWaalsContact O-CB 3.27Å; E959-E963 WeakPolarHBondContact O-CB 3.49Å; E959-E963 PolarHBondContact O-N 3.01Å
960I82.3Confident75.8Confident9 Ų967.5 Ų67.55%0.04641%0.409CS..Hα-helixtrans-65.4-43172.4-70.5163.5000110.7A945 Q946 I949 G956 E958 V964A945-I960 HydrophobicContact CB-CG1 4.44Å; A945-I960 HydrophobicContact CB-CG2 4.07Å; Q946-I960 HydrophobicContact CB-CD1 4.45Å; Q946-I960 HydrophobicContact CG-CD1 3.53Å; Q946-I960 HydrophobicContact CG-CG1 4.49Å; Q946-I960 HydrophobicContact CG-CG2 4.42Å; I949-I960 HydrophobicContact CD1-CG1 3.84Å; G956-I960 WeakPolarHBondContact O-CD1 3.21Å; G956-I960 WeakPolarHBondContact O-CG1 3.35Å; E958-I960 VanDerWaalsContact C-N 3.3Å; E958-I960 PolarHBondContact O-N 3.11Å; I960-V964 HydrophobicContact CG2-CG2 4.17Å; I960-V964 VanDerWaalsContact O-CB 3.28Å; I960-V964 WeakPolarHBondContact O-CB 3.22Å; I960-V964 WeakPolarHBondContact O-CG2 3.4Å; I960-V964 PolarHBondContact O-N 3.2Å
961R86Confident76.1Confident159 Ų15964 Ų6460%0.639%0.386SS*.Hα-helixtrans-66.5-40.2-176.6-71.9169.3177.8173.9-1.1111.4V957 E958 A965V957-R961 WeakPolarHBondContact O-CG 3.44Å; V957-R961 PolarHBondContact O-N 3.28Å; E958-R961 WeakPolarHBondContact O-CA 3.43Å; E958-R961 WeakPolarHBondContact O-CB 3.24Å; E958-R961 PolarHBondContact O-N 3.5Å; R961-A965 VanDerWaalsContact O-CB 3.27Å; R961-A965 WeakPolarHBondContact O-CB 3.32Å; R961-A965 PolarHBondContact O-N 2.89Å
962S87.3Confident76.9Confident68 Ų6864 Ų6448%0.47638%0.381SS..Hα-helixtrans-69.5-50.1176.255.40000111.9E958 E959 V964 A965 Q966E958-S962 PolarHBondContact O-N 2.88Å; E958-S962 PolarHBondContact O-OG 3.41Å; E959-S962 PolarHBondContact O-OG 3.39Å; E959-S962 VanDerWaalsContact O-OG 3.09Å; S962-V964 VanDerWaalsContact C-N 3.29Å; S962-V964 PolarHBondContact O-N 3.02Å; S962-A965 PolarHBondContact O-N 3.25Å; S962-A965 VanDerWaalsContact O-N 3.12Å; S962-Q966 VanDerWaalsContact O-CB 3.3Å; S962-Q966 WeakPolarHBondContact O-CB 3.18Å; S962-Q966 PolarHBondContact O-N 3.43Å
963E85.4Confident77.7Confident32 Ų3260.6 Ų60.615%0.1534%0.344CS..Hα-helixtrans-55.7-42.7176.4175.374.7177.500111.5E959 T967 I999 A1000E959-E963 VanDerWaalsContact O-CB 3.27Å; E959-E963 WeakPolarHBondContact O-CB 3.49Å; E959-E963 PolarHBondContact O-N 3.01Å; E963-T967 VanDerWaalsContact O-CB 3.26Å; E963-T967 WeakPolarHBondContact O-CB 3.46Å; E963-T967 PolarHBondContact O-N 3.04Å; E963-T967 PolarHBondContact O-OG1 2.87Å; E963-I999 HydrophobicContact CG-CD1 4.39Å; E963-I999 HydrophobicContact CG-CG1 3.77Å; E963-A1000 WeakPolarHBondContact OE1-CA 3.47Å; E963-A1000 PolarHBondContact OE1-N 3.33Å
964V87.9Confident78.5Confident3 Ų361.5 Ų61.52%0.01835%0.353CS..Hα-helixtrans-67.8-42.9176.5170.20000111.9R938 L941 Q942 A945 I960 S962 T967 L968 I999R938-V964 HydrophobicContact CG-CG1 4.45Å; L941-V964 HydrophobicContact CB-CG1 4Å; L941-V964 HydrophobicContact CB-CG2 4.1Å; Q942-V964 HydrophobicContact CG-CG1 4.15Å; Q942-V964 HydrophobicContact CG-CG2 4.08Å; A945-V964 HydrophobicContact CB-CG2 4.23Å; I960-V964 HydrophobicContact CG2-CG2 4.17Å; I960-V964 VanDerWaalsContact O-CB 3.28Å; I960-V964 WeakPolarHBondContact O-CB 3.22Å; I960-V964 WeakPolarHBondContact O-CG2 3.4Å; I960-V964 PolarHBondContact O-N 3.2Å; S962-V964 VanDerWaalsContact C-N 3.29Å; S962-V964 PolarHBondContact O-N 3.02Å; V964-T967 PolarHBondContact O-N 3.06Å; V964-L968 HydrophobicContact CG1-CD1 3.94Å; V964-L968 HydrophobicContact CG1-CG 4.49Å; V964-L968 WeakPolarHBondContact O-CB 3.47Å; V964-L968 WeakPolarHBondContact O-CG 3.43Å; V964-L968 PolarHBondContact O-N 3.04Å; V964-I999 HydrophobicContact CG2-CD1 3.95Å
965A88.3Confident79.7Confident39 Ų3963.2 Ų63.232%0.32234%0.343SS..Hα-helixtrans-64.5-47.3178.200000111.6R961 S962 T967 L968 Q969R961-A965 VanDerWaalsContact O-CB 3.27Å; R961-A965 WeakPolarHBondContact O-CB 3.32Å; R961-A965 PolarHBondContact O-N 2.89Å; S962-A965 PolarHBondContact O-N 3.25Å; S962-A965 VanDerWaalsContact O-N 3.12Å; A965-T967 VanDerWaalsContact C-N 3.29Å; A965-T967 PolarHBondContact O-N 2.77Å; A965-L968 PolarHBondContact O-N 3.03Å; A965-L968 VanDerWaalsContact O-N 3.16Å; A965-Q969 WeakPolarHBondContact O-CB 3.21Å; A965-Q969 WeakPolarHBondContact O-CG 3.4Å; A965-Q969 PolarHBondContact O-N 2.65Å
966Q86.3Confident80.9Confident113 Ų11363.9 Ų63.953%0.52834%0.335SS..Hα-helixtrans-60.3-38.2175.8-171.3178.211.400111.8S962 S970S962-Q966 VanDerWaalsContact O-CB 3.3Å; S962-Q966 WeakPolarHBondContact O-CB 3.18Å; S962-Q966 PolarHBondContact O-N 3.43Å; Q966-S970 VanDerWaalsContact O-CB 3.3Å; Q966-S970 WeakPolarHBondContact O-CB 3.49Å; Q966-S970 PolarHBondContact O-N 2.75Å; Q966-S970 PolarHBondContact O-OG 3.03Å
967T84.9Confident81.9Confident9 Ų966.2 Ų66.26%0.05534%0.344CS..Hα-helixtrans-67.2-43.9174-59.50000111.8L941 E963 V964 A965 S970 L971 A995L941-T967 HydrophobicContact CD1-CG2 3.87Å; L941-T967 HydrophobicContact CD2-CG2 4.05Å; E963-T967 VanDerWaalsContact O-CB 3.26Å; E963-T967 WeakPolarHBondContact O-CB 3.46Å; E963-T967 PolarHBondContact O-N 3.04Å; E963-T967 PolarHBondContact O-OG1 2.87Å; V964-T967 PolarHBondContact O-N 3.06Å; A965-T967 VanDerWaalsContact C-N 3.29Å; A965-T967 PolarHBondContact O-N 2.77Å; T967-S970 PolarHBondContact O-N 2.97Å; T967-L971 HydrophobicContact CG2-CD1 4.1Å; T967-L971 WeakPolarHBondContact O-CB 3.32Å; T967-L971 WeakPolarHBondContact O-CD1 3.09Å; T967-L971 VanDerWaalsContact O-CG 3.24Å; T967-L971 WeakPolarHBondContact O-CG 3.04Å; T967-L971 PolarHBondContact O-N 3.37Å; T967-L971 VanDerWaalsContact O-N 3.08Å; T967-A995 HydrophobicContact CG2-CB 3.84Å
968L85.6Confident82.5Confident12 Ų1265.6 Ų65.66%0.06334%0.343CS..Hα-helixtrans-65-41177.6-76.8168000112.8R938 L941 V964 A965 L971 E977R938-L968 HydrophobicContact CB-CD1 3.97Å; R938-L968 HydrophobicContact CG-CD1 3.77Å; L941-L968 HydrophobicContact CD1-CD2 3.68Å; L941-L968 HydrophobicContact CD1-CG 3.77Å; V964-L968 HydrophobicContact CG1-CD1 3.94Å; V964-L968 HydrophobicContact CG1-CG 4.49Å; V964-L968 WeakPolarHBondContact O-CB 3.47Å; V964-L968 WeakPolarHBondContact O-CG 3.43Å; V964-L968 PolarHBondContact O-N 3.04Å; A965-L968 PolarHBondContact O-N 3.03Å; A965-L968 VanDerWaalsContact O-N 3.16Å; L968-L971 PolarHBondContact O-N 3.37Å; L968-E977 HydrophobicContact CD2-CB 4.03Å
969Q83.6Confident82.9Confident132 Ų13263.3 Ų63.362%0.61733%0.329SS*.Hα-helixtrans-59.7-50.1171.4-72.8166.9-30.900110.5A965 L971 N972A965-Q969 WeakPolarHBondContact O-CB 3.21Å; A965-Q969 WeakPolarHBondContact O-CG 3.4Å; A965-Q969 PolarHBondContact O-N 2.65Å; Q969-L971 PolarHBondContact O-N 3.07Å; Q969-L971 VanDerWaalsContact O-N 3.12Å; Q969-N972 PolarHBondContact O-N 3.42Å; Q969-N972 VanDerWaalsContact O-N 3.15Å; Q969-N972 PolarHBondContact O-OD1 3.29Å
970S80Confident83.1Confident31 Ų3160.1 Ų60.122%0.21732%0.316CS..Hα-helixtrans-57.9-28178.4-63.10000113.9Q966 T967 R1028Q966-S970 VanDerWaalsContact O-CB 3.3Å; Q966-S970 WeakPolarHBondContact O-CB 3.49Å; Q966-S970 PolarHBondContact O-N 2.75Å; Q966-S970 PolarHBondContact O-OG 3.03Å; T967-S970 PolarHBondContact O-N 2.97Å; S970-R1028 PolarHBondContact O-NH1 3.45Å
971L76.1Confident83.3Confident6 Ų659.9 Ų59.93%0.03132%0.316CS..THydrogen-bonded Turntrans-83.2-13.9-178.1-79.9168.3000115.1L941 T967 L968 Q969 F973 R991 A995 L1025L941-L971 HydrophobicContact CD1-CD1 4.13Å; T967-L971 HydrophobicContact CG2-CD1 4.1Å; T967-L971 WeakPolarHBondContact O-CB 3.32Å; T967-L971 WeakPolarHBondContact O-CD1 3.09Å; T967-L971 VanDerWaalsContact O-CG 3.24Å; T967-L971 WeakPolarHBondContact O-CG 3.04Å; T967-L971 PolarHBondContact O-N 3.37Å; T967-L971 VanDerWaalsContact O-N 3.08Å; L968-L971 PolarHBondContact O-N 3.37Å; Q969-L971 PolarHBondContact O-N 3.07Å; Q969-L971 VanDerWaalsContact O-N 3.12Å; L971-F973 VanDerWaalsContact C-N 3.3Å; L971-F973 HydrophobicContact CB-CD1 3.58Å; L971-F973 HydrophobicContact CB-CE1 3.93Å; L971-F973 HydrophobicContact CB-CG 4.39Å; L971-F973 HydrophobicContact CD1-CD1 4.37Å; L971-F973 HydrophobicContact CD1-CE1 4.22Å; L971-F973 HydrophobicContact CD2-CE1 4.02Å; L971-F973 HydrophobicContact CG-CD1 4.42Å; L971-F973 HydrophobicContact CG-CE1 4.32Å; L971-F973 PolarHBondContact O-N 2.94Å; L971-R991 HydrophobicContact CD2-CB 3.98Å; L971-A995 HydrophobicContact CD1-CB 3.66Å; L971-A995 HydrophobicContact CD2-CB 3.97Å; L971-A995 HydrophobicContact CG-CB 4.15Å; L971-L1025 HydrophobicContact CD2-CD1 3.86Å; L971-L1025 HydrophobicContact CD2-CD2 3.62Å; L971-L1025 HydrophobicContact CD2-CG 4.41Å; L971-L1025 HydrophobicContact CG-CD1 4.4Å
972N77.8Confident83.3Confident106 Ų10659.6 Ų59.657%0.56732%0.315SS*.THydrogen-bonded Turntrans52.440.1-171.5-62.4-4.5000113.7Q969Q969-N972 PolarHBondContact O-N 3.42Å; Q969-N972 VanDerWaalsContact O-N 3.15Å; Q969-N972 PolarHBondContact O-OD1 3.29Å
973F76.1Confident83.1Confident4 Ų461 Ų612%0.01831%0.313CS..  trans-73.6-33.1-179.6-93.541.9000113.3A937 L971 K975 H976 L984 Y988 R991 L992A937-F973 HydrophobicContact CB-CD2 3.64Å; A937-F973 HydrophobicContact CB-CE2 3.56Å; L971-F973 VanDerWaalsContact C-N 3.3Å; L971-F973 HydrophobicContact CB-CD1 3.58Å; L971-F973 HydrophobicContact CB-CE1 3.93Å; L971-F973 HydrophobicContact CB-CG 4.39Å; L971-F973 HydrophobicContact CD1-CD1 4.37Å; L971-F973 HydrophobicContact CD1-CE1 4.22Å; L971-F973 HydrophobicContact CD2-CE1 4.02Å; L971-F973 HydrophobicContact CG-CD1 4.42Å; L971-F973 HydrophobicContact CG-CE1 4.32Å; L971-F973 PolarHBondContact O-N 2.94Å; F973-K975 PolarHBondContact O-N 3.49Å; F973-H976 HydrophobicContact CB-CB 4.46Å; F973-H976 HydrophobicContact CD2-CB 4.25Å; F973-H976 WeakPolarHBondContact O-CB 3.35Å; F973-H976 PolarHBondContact O-CD2 2.68Å; F973-H976 PolarHBondContact O-N 3.01Å; F973-L984 HydrophobicContact CE2-CD1 4.06Å; F973-Y988 AromaticContact CD1-CD1 3.95Å; F973-Y988 HydrophobicContact CD1-CD1 3.95Å; F973-Y988 HydrophobicContact CD1-CE1 4.22Å; F973-Y988 AromaticContact CE1-CD1 3.7Å; F973-Y988 HydrophobicContact CE1-CD1 3.7Å; F973-Y988 HydrophobicContact CE1-CE1 4.36Å; F973-Y988 HydrophobicContact CE2-CD1 4.48Å; F973-Y988 HydrophobicContact CG-CD1 4.49Å; F973-Y988 AromaticContact CZ-CD1 4Å; F973-Y988 HydrophobicContact CZ-CD1 4Å; F973-Y988 WeakPolarHBondContact CZ-O 3.24Å; F973-R991 HydrophobicContact CE1-CB 4Å; F973-R991 HydrophobicContact CZ-CB 4.38Å; F973-L992 HydrophobicContact CE2-CB 4.47Å; F973-L992 HydrophobicContact CZ-CB 4.07Å
974G76Confident83Confident58 Ų5859.7 Ų59.760%0.59831%0.308SS*.G310 helixtrans50.5-124.4-179.800000112.1H976 E977G974-H976 PolarHBondContact O-N 3.18Å; G974-E977 WeakPolarHBondContact O-CG 3.21Å; G974-E977 PolarHBondContact O-N 3.41Å; G974-E977 VanDerWaalsContact O-N 3.12Å
975K76.5Confident82.4Confident175 Ų17562.8 Ų62.876%0.76133%0.329SS*.G310 helixtrans-54.1-21.6177.4-64.8-179.6-178.2175.60114.1F973 S978 Y979F973-K975 PolarHBondContact O-N 3.49Å; K975-S978 PolarHBondContact O-OG 3.19Å; K975-Y979 VanDerWaalsContact O-CD1 3.28Å; K975-Y979 WeakPolarHBondContact O-CD1 3.35Å; K975-Y979 VanDerWaalsContact O-CE1 3.27Å; K975-Y979 WeakPolarHBondContact O-CE1 3.34Å
976H81.1Confident81.8Confident56 Ų5663 Ų6326%0.25934%0.335SS..G310 helixtrans-83.8-2.5-178.9-55.1-53.9000114.8F973 G974 S978 Y979 L984 Y988F973-H976 HydrophobicContact CB-CB 4.46Å; F973-H976 HydrophobicContact CD2-CB 4.25Å; F973-H976 WeakPolarHBondContact O-CB 3.35Å; F973-H976 PolarHBondContact O-CD2 2.68Å; F973-H976 PolarHBondContact O-N 3.01Å; G974-H976 PolarHBondContact O-N 3.18Å; H976-S978 PolarHBondContact O-N 3.47Å; H976-Y979 HydrophobicContact CB-CG 4.49Å; H976-Y979 AromaticContact CE1-CE2 3.95Å; H976-Y979 AromaticContact ND1-CD2 3.47Å; H976-Y979 WeakPolarHBondContact ND1-CD2 3.27Å; H976-Y979 AromaticContact ND1-CE2 3.38Å; H976-Y979 WeakPolarHBondContact ND1-CE2 3.36Å; H976-Y979 AromaticContact ND1-CZ 3.9Å; H976-Y979 PolarHBondContact O-N 2.82Å; H976-L984 HydrophobicContact CB-CD2 3.97Å; H976-Y988 AromaticContact CD2-CZ 3.91Å
977E85.8Confident81.3Confident59 Ų5958.3 Ų58.328%0.27632%0.318SS..G310 helixtrans-63.2-31.8178.967.9149.9-124.100113.4A937 R938 L968 G974A937-E977 PolarHBondContact N-O 3.43Å; R938-E977 WeakPolarHBondContact CD-OE1 3.37Å; R938-E977 IonicContact CZ-OE1 3.78Å; R938-E977 PolarHBondContact N-O 2.58Å; R938-E977 IonicContact NE-OE1 3.18Å; R938-E977 IonicContact NH1-OE1 3.69Å; R938-E977 PolarHBondContact NH1-OE1 2.85Å; R938-E977 IonicContact NH1-OE2 2.99Å; L968-E977 HydrophobicContact CD2-CB 4.03Å; G974-E977 WeakPolarHBondContact O-CG 3.21Å; G974-E977 PolarHBondContact O-N 3.41Å; G974-E977 VanDerWaalsContact O-N 3.12Å
978S84.8Confident81.3Confident74 Ų7461 Ų6152%0.51733%0.328SS..G310 helixtrans-91.6-6.4-179.458.70000113.2T936 K975 H976T936-S978 WeakPolarHBondContact CG2-O 3.48Å; K975-S978 PolarHBondContact O-OG 3.19Å; H976-S978 PolarHBondContact O-N 3.47Å
979Y86.3Confident81.4Confident91 Ų9164.8 Ų64.836%0.35734%0.341SS..SBendtrans-75132.6-178.4-78.529.4000109.3T936 A937 K975 H976 Q983T936-Y979 WeakPolarHBondContact CA-O 3.32Å; A937-Y979 PolarHBondContact N-O 3.16Å; K975-Y979 VanDerWaalsContact O-CD1 3.28Å; K975-Y979 WeakPolarHBondContact O-CD1 3.35Å; K975-Y979 VanDerWaalsContact O-CE1 3.27Å; K975-Y979 WeakPolarHBondContact O-CE1 3.34Å; H976-Y979 HydrophobicContact CB-CG 4.49Å; H976-Y979 AromaticContact CE1-CE2 3.95Å; H976-Y979 AromaticContact ND1-CD2 3.47Å; H976-Y979 WeakPolarHBondContact ND1-CD2 3.27Å; H976-Y979 AromaticContact ND1-CE2 3.38Å; H976-Y979 WeakPolarHBondContact ND1-CE2 3.36Å; H976-Y979 AromaticContact ND1-CZ 3.9Å; H976-Y979 PolarHBondContact O-N 2.82Å; Y979-Q983 HydrophobicContact CD2-CB 4.44Å
980P86.2Confident81.5Confident26 Ų2658.6 Ų58.617%0.16931%0.312CS..BIsolated β-bridgetrans-66144.2173.230.4-35.5000109.7L935 W982 Q983L935-P980 WeakPolarHBondContact O-CA 3.46Å; P980-W982 PolarHBondContact O-N 3.36Å; P980-Q983 HydrophobicContact CG-CB 4.45Å; P980-Q983 HydrophobicContact CG-CG 3.98Å; P980-Q983 PolarHBondContact O-N 3.18Å
981S87.1Confident81.9Confident4 Ų458.4 Ų58.43%0.02831%0.306CS..THydrogen-bonded Turntrans-61.2-21.5-167760000114.7I932 P933 L935 Q983 L984 R989I932-S981 VanDerWaalsContact C-OG 3.32Å; I932-S981 PolarHBondContact O-OG 2.87Å; P933-S981 VanDerWaalsContact CA-OG 3.3Å; P933-S981 WeakPolarHBondContact CA-OG 3.49Å; P933-S981 PolarHBondContact O-N 3.36Å; P933-S981 VanDerWaalsContact O-N 3.17Å; L935-S981 PolarHBondContact O-N 3.48Å; S981-Q983 VanDerWaalsContact C-N 3.28Å; S981-Q983 PolarHBondContact O-N 2.99Å; S981-L984 PolarHBondContact O-N 3.27Å; S981-R989 PolarHBondContact O-NE 2.94Å; S981-R989 VanDerWaalsContact O-NE 3.15Å
982W85.7Confident82.6Confident153 Ų15358.1 Ų58.158%0.5831%0.305SS*.THydrogen-bonded Turntrans-66.1-24.4172.476.5-93.5000114.3P933 P980 R989P933-W982 HydrophobicContact CB-CB 3.98Å; P933-W982 VanDerWaalsContact O-CD1 3.3Å; P933-W982 PolarHBondContact O-N 2.92Å; P980-W982 PolarHBondContact O-N 3.36Å; W982-R989 PolarHBondContact O-NH2 3.17Å
983Q84.7Confident83.2Confident97 Ų9753.5 Ų53.545%0.45328%0.281SS..THydrogen-bonded Turntrans-88.3-18177-65.6179.8-4.500113.2Y979 P980 S981Y979-Q983 HydrophobicContact CD2-CB 4.44Å; P980-Q983 HydrophobicContact CG-CB 4.45Å; P980-Q983 HydrophobicContact CG-CG 3.98Å; P980-Q983 PolarHBondContact O-N 3.18Å; S981-Q983 VanDerWaalsContact C-N 3.28Å; S981-Q983 PolarHBondContact O-N 2.99Å
984L82.3Confident83.9Confident5 Ų553.3 Ų53.33%0.02628%0.28CS..SBendtrans-67.7141176.2-61.1178.8000110.9F973 H976 S981 R989 L992F973-L984 HydrophobicContact CE2-CD1 4.06Å; H976-L984 HydrophobicContact CB-CD2 3.97Å; S981-L984 PolarHBondContact O-N 3.27Å; L984-R989 HydrophobicContact CB-CG 3.81Å; L984-R989 PolarHBondContact O-NE 2.7Å; L984-R989 PolarHBondContact O-NH2 3.17Å; L984-L992 HydrophobicContact CD1-CD2 4.08Å
985S75.9Confident84.5Confident68 Ų6850.6 Ų50.648%0.47625%0.252SS..  trans-68161.9171.984.50000111.4G987 Y988 R989S985-G987 VanDerWaalsContact C-N 3.25Å; S985-G987 PolarHBondContact O-N 3.07Å; S985-Y988 PolarHBondContact O-N 2.87Å; S985-R989 WeakPolarHBondContact O-CG 3.48Å; S985-R989 PolarHBondContact O-N 2.86Å
986G75Confident85.2Confident43 Ų4342.3 Ų42.344%0.44322%0.216SC..Hα-helixtrans-52.5-40.4-179.300000113.8R989 R990G986-R989 PolarHBondContact O-N 3.08Å; G986-R990 WeakPolarHBondContact O-CB 3.35Å; G986-R990 PolarHBondContact O-N 3.41Å
987G76.6Confident85.7Confident16 Ų1639.7 Ų39.717%0.16520%0.203CC..Hα-helixtrans-66.2-41.2176.100000113.7S985 R990 R991S985-G987 VanDerWaalsContact C-N 3.25Å; S985-G987 PolarHBondContact O-N 3.07Å; G987-R990 PolarHBondContact O-N 3.05Å; G987-R991 WeakPolarHBondContact O-CG 3.27Å; G987-R991 PolarHBondContact O-N 2.9Å
988Y85Confident85.9Confident66 Ų6637 Ų3726%0.25919%0.191SC..Hα-helixtrans-70-39.2175.3-80.5-76.8000112.1F973 H976 S985 R990 R991 L992F973-Y988 AromaticContact CD1-CD1 3.95Å; F973-Y988 HydrophobicContact CD1-CD1 3.95Å; F973-Y988 HydrophobicContact CD1-CE1 4.22Å; F973-Y988 AromaticContact CE1-CD1 3.7Å; F973-Y988 HydrophobicContact CE1-CD1 3.7Å; F973-Y988 HydrophobicContact CE1-CE1 4.36Å; F973-Y988 HydrophobicContact CE2-CD1 4.48Å; F973-Y988 HydrophobicContact CG-CD1 4.49Å; F973-Y988 AromaticContact CZ-CD1 4Å; F973-Y988 HydrophobicContact CZ-CD1 4Å; F973-Y988 WeakPolarHBondContact CZ-O 3.24Å; H976-Y988 AromaticContact CD2-CZ 3.91Å; S985-Y988 PolarHBondContact O-N 2.87Å; Y988-R990 VanDerWaalsContact C-N 3.26Å; Y988-R990 PolarHBondContact O-N 3.45Å; Y988-R991 PolarHBondContact O-N 3.48Å; Y988-L992 PolarHBondContact O-N 3.1Å
989R86.1Confident86Confident90 Ų9033.4 Ų33.434%0.3417%0.166SC..Hα-helixtrans-57-41.9170.5-67.2-178.1-163.9-173.34.7111.1N929 L931 S981 W982 L984 S985 G986 L992 C993N929-R989 HydrophobicContact CB-CB 4.46Å; L931-R989 HydrophobicContact CD1-CB 3.75Å; L931-R989 HydrophobicContact CD1-CG 3.95Å; S981-R989 PolarHBondContact O-NE 2.94Å; S981-R989 VanDerWaalsContact O-NE 3.15Å; W982-R989 PolarHBondContact O-NH2 3.17Å; L984-R989 HydrophobicContact CB-CG 3.81Å; L984-R989 PolarHBondContact O-NE 2.7Å; L984-R989 PolarHBondContact O-NH2 3.17Å; S985-R989 WeakPolarHBondContact O-CG 3.48Å; S985-R989 PolarHBondContact O-N 2.86Å; G986-R989 PolarHBondContact O-N 3.08Å; R989-L992 PolarHBondContact O-N 3.02Å; R989-C993 PolarHBondContact O-N 3.23Å; R989-C993 PolarHBondContact O-SG 2.78Å
990R86.7Confident85.7Confident2 Ų229.7 Ų29.71%0.00815%0.154CC..Hα-helixtrans-65.6-44.6178.9-158.866.8177.4153-0112.7W926 Q927 N929 G986 G987 Y988 L992 C993 V994 D1008 E1009 P1010 V1014 I1022W926-R990 PolarHBondContact O-NH1 3.08Å; W926-R990 PolarHBondContact O-NH2 3.12Å; Q927-R990 PolarHBondContact O-NH1 3.21Å; Q927-R990 VanDerWaalsContact O-NH1 3.16Å; Q927-R990 PolarHBondContact O-NH2 3.05Å; N929-R990 WeakPolarHBondContact OD1-CD 3.4Å; N929-R990 PolarHBondContact OD1-NH1 3.49Å; G986-R990 WeakPolarHBondContact O-CB 3.35Å; G986-R990 PolarHBondContact O-N 3.41Å; G987-R990 PolarHBondContact O-N 3.05Å; Y988-R990 VanDerWaalsContact C-N 3.26Å; Y988-R990 PolarHBondContact O-N 3.45Å; R990-L992 VanDerWaalsContact C-N 3.3Å; R990-L992 PolarHBondContact O-N 2.69Å; R990-C993 PolarHBondContact O-N 3.15Å; R990-V994 WeakPolarHBondContact O-CG2 3.44Å; R990-V994 PolarHBondContact O-N 2.72Å; R990-D1008 PolarHBondContact NH2-O 3.38Å; R990-E1009 PolarHBondContact NH2-O 2.98Å; R990-P1010 WeakPolarHBondContact CG-O 3.49Å; R990-P1010 PolarHBondContact NE-O 2.7Å; R990-V1014 HydrophobicContact CB-CG2 4.18Å; R990-V1014 HydrophobicContact CG-CG2 3.91Å; R990-I1022 HydrophobicContact CB-CD1 4.08Å; R990-I1022 HydrophobicContact CG-CD1 3.81Å
991R88.1Confident85.4Confident28 Ų2831.5 Ų31.511%0.10617%0.167CC..Hα-helixtrans-58-41.4172.7-67.4173.1-152.8-143.5-0.6111.9L971 F973 G987 Y988 V994 A995 A1018 D1021 I1022 L1025L971-R991 HydrophobicContact CD2-CB 3.98Å; F973-R991 HydrophobicContact CE1-CB 4Å; F973-R991 HydrophobicContact CZ-CB 4.38Å; G987-R991 WeakPolarHBondContact O-CG 3.27Å; G987-R991 PolarHBondContact O-N 2.9Å; Y988-R991 PolarHBondContact O-N 3.48Å; R991-V994 PolarHBondContact O-N 2.86Å; R991-A995 PolarHBondContact O-N 3.37Å; R991-A1018 VanDerWaalsContact NH2-CB 3.26Å; R991-D1021 IonicContact CZ-OD2 2.12Å; R991-D1021 IonicContact NH1-OD2 3.61Å; R991-D1021 PolarHBondContact NH1-OD2 3.19Å; R991-D1021 IonicContact NH2-OD2 3.58Å; R991-D1021 PolarHBondContact NH2-OD2 2.97Å; R991-I1022 HydrophobicContact CG-CG1 3.95Å; R991-L1025 HydrophobicContact CB-CD2 4.36Å
992L90.2Very high85.2Confident0 Ų031.3 Ų31.30%017%0.166CC..Hα-helixtrans-63.8-42.4176-175.757.9000111.9L931 A937 H940 L941 F973 L984 Y988 R989 R990 V994 A995 I996L931-L992 HydrophobicContact CD1-CD2 4.18Å; L931-L992 HydrophobicContact CD2-CD2 3.9Å; L931-L992 HydrophobicContact CD2-CG 4.01Å; A937-L992 HydrophobicContact CB-CD1 4.1Å; A937-L992 HydrophobicContact CB-CD2 4.1Å; H940-L992 HydrophobicContact CB-CD1 4.37Å; L941-L992 HydrophobicContact CD2-CD1 4.19Å; L941-L992 HydrophobicContact CG-CD1 4.16Å; F973-L992 HydrophobicContact CE2-CB 4.47Å; F973-L992 HydrophobicContact CZ-CB 4.07Å; L984-L992 HydrophobicContact CD1-CD2 4.08Å; Y988-L992 PolarHBondContact O-N 3.1Å; R989-L992 PolarHBondContact O-N 3.02Å; R990-L992 VanDerWaalsContact C-N 3.3Å; R990-L992 PolarHBondContact O-N 2.69Å; L992-V994 PolarHBondContact O-N 3.3Å; L992-A995 PolarHBondContact O-N 3.42Å; L992-I996 HydrophobicContact CD1-CD1 4.26Å; L992-I996 HydrophobicContact CD1-CG1 4.42Å; L992-I996 HydrophobicContact CG-CD1 3.97Å; L992-I996 WeakPolarHBondContact O-CB 3.38Å; L992-I996 WeakPolarHBondContact O-CD1 3.22Å; L992-I996 VanDerWaalsContact O-CG1 3.24Å; L992-I996 WeakPolarHBondContact O-CG1 3.48Å; L992-I996 PolarHBondContact O-N 3.39Å
993C90.9Very high85.1Confident9 Ų924.5 Ų24.56%0.06114%0.142CC..Hα-helixtrans-61.3-42.1174.5-62.20000112.1R989 R990 I996 A997R989-C993 PolarHBondContact O-N 3.23Å; R989-C993 PolarHBondContact O-SG 2.78Å; R990-C993 PolarHBondContact O-N 3.15Å; C993-I996 PolarHBondContact O-N 2.97Å; C993-A997 PolarHBondContact O-N 3.37Å
994V90.2Very high85.3Confident0 Ų019.9 Ų19.90%012%0.12CC..Hα-helixtrans-64.2-42.2175.71730000111.4R990 R991 L992 A997 F998 P1010 I1022 L1025 I1026R990-V994 WeakPolarHBondContact O-CG2 3.44Å; R990-V994 PolarHBondContact O-N 2.72Å; R991-V994 PolarHBondContact O-N 2.86Å; L992-V994 PolarHBondContact O-N 3.3Å; V994-A997 WeakPolarHBondContact O-CB 3.28Å; V994-A997 PolarHBondContact O-N 3.16Å; V994-F998 HydrophobicContact CG1-CD2 3.77Å; V994-F998 HydrophobicContact CG1-CE2 3.78Å; V994-F998 VanDerWaalsContact O-CD2 3.3Å; V994-F998 WeakPolarHBondContact O-CD2 3.32Å; V994-F998 PolarHBondContact O-N 3.23Å; V994-F998 VanDerWaalsContact O-N 3.11Å; V994-P1010 HydrophobicContact CG2-CB 4.23Å; V994-I1022 HydrophobicContact CG2-CG2 4.35Å; V994-L1025 HydrophobicContact CB-CD2 4.15Å; V994-L1025 HydrophobicContact CG1-CD2 3.8Å; V994-L1025 HydrophobicContact CG1-CG 4.28Å; V994-I1026 HydrophobicContact CG1-CG1 4.21Å
995A90Very high85.7Confident0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-63.5-42.4174.800000113.4L941 T967 L971 R991 L992 A997 F998 I999L941-A995 HydrophobicContact CD2-CB 3.85Å; T967-A995 HydrophobicContact CG2-CB 3.84Å; L971-A995 HydrophobicContact CD1-CB 3.66Å; L971-A995 HydrophobicContact CD2-CB 3.97Å; L971-A995 HydrophobicContact CG-CB 4.15Å; R991-A995 PolarHBondContact O-N 3.37Å; L992-A995 PolarHBondContact O-N 3.42Å; A995-A997 PolarHBondContact O-N 3.08Å; A995-F998 PolarHBondContact O-N 3.11Å; A995-F998 VanDerWaalsContact O-N 3.08Å; A995-I999 PolarHBondContact O-N 2.69Å
996I91.2Very high86.5Confident2 Ų216.5 Ų16.51%0.0110%0.097CC..Hα-helixtrans-60-35.3174.9-70.7163.8000111.1M667 L931 H940 L941 Y944 K948 L992 C993M667-I996 HydrophobicContact CE-CG2 3.66Å; M667-I996 HydrophobicContact SD-CG2 3.97Å; L931-I996 HydrophobicContact CD2-CD1 3.68Å; H940-I996 HydrophobicContact CB-CD1 3.91Å; H940-I996 HydrophobicContact CB-CG1 4.41Å; L941-I996 HydrophobicContact CD2-CG1 4.06Å; Y944-I996 HydrophobicContact CD1-CG2 3.99Å; Y944-I996 HydrophobicContact CD2-CB 4.27Å; Y944-I996 HydrophobicContact CD2-CD1 4.08Å; Y944-I996 HydrophobicContact CD2-CG1 3.9Å; Y944-I996 HydrophobicContact CD2-CG2 3.39Å; Y944-I996 HydrophobicContact CE1-CG2 4.2Å; Y944-I996 HydrophobicContact CE2-CD1 4.08Å; Y944-I996 HydrophobicContact CE2-CG1 4.36Å; Y944-I996 HydrophobicContact CE2-CG2 3.66Å; Y944-I996 HydrophobicContact CG-CG2 3.58Å; K948-I996 PolarHBondContact NZ-O 2.7Å; L992-I996 HydrophobicContact CD1-CD1 4.26Å; L992-I996 HydrophobicContact CD1-CG1 4.42Å; L992-I996 HydrophobicContact CG-CD1 3.97Å; L992-I996 WeakPolarHBondContact O-CB 3.38Å; L992-I996 WeakPolarHBondContact O-CD1 3.22Å; L992-I996 VanDerWaalsContact O-CG1 3.24Å; L992-I996 WeakPolarHBondContact O-CG1 3.48Å; L992-I996 PolarHBondContact O-N 3.39Å; C993-I996 PolarHBondContact O-N 2.97Å
997A90.8Very high87.3Confident0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-63.1-48.2171.600000111.6G923 C925 K948 C993 V994 A995 V1005 L1007G923-A997 WeakPolarHBondContact CA-O 3.27Å; C925-A997 HydrophobicContact CB-CB 4.12Å; K948-A997 PolarHBondContact NZ-O 2.82Å; C993-A997 PolarHBondContact O-N 3.37Å; V994-A997 WeakPolarHBondContact O-CB 3.28Å; V994-A997 PolarHBondContact O-N 3.16Å; A995-A997 PolarHBondContact O-N 3.08Å; A997-V1005 HydrophobicContact CB-CG1 4.08Å; A997-L1007 HydrophobicContact CB-CD2 4.05Å
998F89.5Confident87.9Confident2 Ų214.5 Ų14.51%0.0097%0.072CC..Hα-helixtrans-78.7-21.9-175.3-81.8-67000116.9V994 A995 P1002 V1005 L1007 I1026 L1029 R1033 V1035V994-F998 HydrophobicContact CG1-CD2 3.77Å; V994-F998 HydrophobicContact CG1-CE2 3.78Å; V994-F998 VanDerWaalsContact O-CD2 3.3Å; V994-F998 WeakPolarHBondContact O-CD2 3.32Å; V994-F998 PolarHBondContact O-N 3.23Å; V994-F998 VanDerWaalsContact O-N 3.11Å; A995-F998 PolarHBondContact O-N 3.11Å; A995-F998 VanDerWaalsContact O-N 3.08Å; F998-P1002 VanDerWaalsContact O-CD 3.24Å; F998-P1002 WeakPolarHBondContact O-CD 3.34Å; F998-V1005 HydrophobicContact CD1-CB 4.36Å; F998-V1005 HydrophobicContact CD1-CG1 4.11Å; F998-V1005 HydrophobicContact CD1-CG2 3.74Å; F998-V1005 HydrophobicContact CE1-CB 4.1Å; F998-V1005 HydrophobicContact CE1-CG1 3.93Å; F998-V1005 HydrophobicContact CE1-CG2 3.89Å; F998-V1005 HydrophobicContact CE2-CG1 4.44Å; F998-V1005 HydrophobicContact CG-CG1 4.45Å; F998-V1005 HydrophobicContact CZ-CG1 4.09Å; F998-L1007 HydrophobicContact CE2-CD1 4.19Å; F998-L1007 HydrophobicContact CZ-CD1 4.29Å; F998-I1026 HydrophobicContact CE2-CB 4.44Å; F998-I1026 HydrophobicContact CE2-CG1 4.08Å; F998-I1026 HydrophobicContact CZ-CB 4.49Å; F998-I1026 HydrophobicContact CZ-CG1 4.49Å; F998-I1026 HydrophobicContact CZ-CG2 4.25Å; F998-L1029 HydrophobicContact CB-CB 4.07Å; F998-L1029 HydrophobicContact CB-CD1 3.79Å; F998-L1029 HydrophobicContact CB-CG 4.45Å; F998-L1029 HydrophobicContact CD1-CB 3.67Å; F998-L1029 VanDerWaalsContact CD1-O 3.3Å; F998-L1029 WeakPolarHBondContact CD1-O 3.34Å; F998-L1029 HydrophobicContact CD2-CB 3.77Å; F998-L1029 HydrophobicContact CD2-CD1 3.73Å; F998-L1029 HydrophobicContact CD2-CG 4.42Å; F998-L1029 HydrophobicContact CE1-CB 3.97Å; F998-L1029 WeakPolarHBondContact CE1-O 3.39Å; F998-L1029 HydrophobicContact CE2-CB 4.07Å; F998-L1029 HydrophobicContact CG-CB 3.57Å; F998-L1029 HydrophobicContact CG-CD1 3.88Å; F998-L1029 HydrophobicContact CG-CG 4.35Å; F998-L1029 HydrophobicContact CZ-CB 4.16Å; F998-R1033 PolarHBondContact O-NH1 3.01Å; F998-R1033 PolarHBondContact O-NH2 3.48Å; F998-V1035 HydrophobicContact CE1-CG2 3.95Å; F998-V1035 HydrophobicContact CZ-CG1 4.43Å; F998-V1035 HydrophobicContact CZ-CG2 4.2Å
999I88.2Confident87.8Confident0 Ų012.7 Ų12.70%07%0.066CC..SBendtrans-63.1149-173.4-161.5159.9000113L941 A945 K948 E963 V964 A995 P1002L941-I999 HydrophobicContact CB-CD1 3.73Å; L941-I999 HydrophobicContact CD2-CD1 3.95Å; L941-I999 HydrophobicContact CG-CD1 4.37Å; L941-I999 WeakPolarHBondContact O-CD1 3.26Å; A945-I999 HydrophobicContact CB-CD1 3.95Å; A945-I999 HydrophobicContact CB-CG1 4.13Å; K948-I999 HydrophobicContact CD-CG2 4.27Å; K948-I999 WeakPolarHBondContact CD-O 3.19Å; K948-I999 PolarHBondContact NZ-O 2.98Å; E963-I999 HydrophobicContact CG-CD1 4.39Å; E963-I999 HydrophobicContact CG-CG1 3.77Å; V964-I999 HydrophobicContact CG2-CD1 3.95Å; A995-I999 PolarHBondContact O-N 2.69Å; I999-P1002 WeakPolarHBondContact O-CD 3.2Å
1000A79.2Confident87.7Confident13 Ų138.4 Ų8.411%0.1075%0.05CC..SBendtrans60.441.5-178.100000114.1K948 I949 E963K948-A1000 HydrophobicContact CB-CB 3.53Å; K948-A1000 HydrophobicContact CD-CB 3.99Å; K948-A1000 HydrophobicContact CG-CB 4.45Å; I949-A1000 HydrophobicContact CD1-CB 4.13Å; I949-A1000 HydrophobicContact CG1-CB 3.63Å; E963-A1000 WeakPolarHBondContact OE1-CA 3.47Å; E963-A1000 PolarHBondContact OE1-N 3.33Å
1001S79.7Confident87.4Confident63 Ų638.3 Ų8.344%0.4415%0.049SC..  trans38.956.1170.1-68.80000117.1R1033S1001-R1033 PolarHBondContact OG-NH2 3.14Å
1002P84Confident86.7Confident1 Ų18.9 Ų8.91%0.0066%0.055CC..  trans-65.3137.9176.530.5-37.3000111.4Q921 F998 I999 V1004 V1005 R1033Q921-P1002 WeakPolarHBondContact O-CB 3.4Å; F998-P1002 VanDerWaalsContact O-CD 3.24Å; F998-P1002 WeakPolarHBondContact O-CD 3.34Å; I999-P1002 WeakPolarHBondContact O-CD 3.2Å; P1002-V1004 PolarHBondContact O-N 3.04Å; P1002-V1005 HydrophobicContact CB-CG2 4.47Å; P1002-V1005 HydrophobicContact CG-CG2 3.57Å; P1002-R1033 VanDerWaalsContact O-CG 3.3Å; P1002-R1033 WeakPolarHBondContact O-CG 3.49Å
1003S82.3Confident85.5Confident9 Ų912.1 Ų12.16%0.0639%0.088CC..SBendtrans-65-26.2-179.454.40000113.4A917 A1034A917-S1003 WeakPolarHBondContact O-CB 3.46Å; A917-S1003 PolarHBondContact O-OG 3.25Å; S1003-A1034 PolarHBondContact O-N 3.34Å
1004V89Confident84.5Confident1 Ų112.3 Ų12.31%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-131.3132.8175.8-174.90000109.5G857 A858 L916 V922 G923 P1002 I1006 A1034 I1036G857-V1004 VanDerWaalsContact C-CG2 3.46Å; G857-V1004 WeakPolarHBondContact O-CG2 3.14Å; A858-V1004 HydrophobicContact CB-CG2 4.13Å; L916-V1004 HydrophobicContact CD2-CG2 4.46Å; V922-V1004 WeakPolarHBondContact CA-O 3.5Å; V922-V1004 HydrophobicContact CG1-CB 4.39Å; V922-V1004 HydrophobicContact CG1-CG1 4.38Å; G923-V1004 PolarHBondContact N-O 3.42Å; P1002-V1004 PolarHBondContact O-N 3.04Å; V1004-I1006 HydrophobicContact CG1-CG1 4.16Å; V1004-A1034 CarbonylContact C-O 3.57Å; V1004-A1034 WeakPolarHBondContact CA-O 3.37Å; V1004-A1034 HydrophobicContact CG2-CB 4.46Å; V1004-I1036 HydrophobicContact CG1-CD1 3.82Å; V1004-I1036 HydrophobicContact CG1-CG1 4.27Å
1005V91.9Very high83.4Confident0 Ų014.6 Ų14.60%010%0.101CC..EExtended strand (participates in β ladder)trans-122.6128.1173.5-179.80000108.7G923 A997 F998 P1002 L1007 A1034 V1035 I1036G923-V1005 CarbonylContact O-C 3.53Å; G923-V1005 WeakPolarHBondContact O-CA 3.41Å; A997-V1005 HydrophobicContact CB-CG1 4.08Å; F998-V1005 HydrophobicContact CD1-CB 4.36Å; F998-V1005 HydrophobicContact CD1-CG1 4.11Å; F998-V1005 HydrophobicContact CD1-CG2 3.74Å; F998-V1005 HydrophobicContact CE1-CB 4.1Å; F998-V1005 HydrophobicContact CE1-CG1 3.93Å; F998-V1005 HydrophobicContact CE1-CG2 3.89Å; F998-V1005 HydrophobicContact CE2-CG1 4.44Å; F998-V1005 HydrophobicContact CG-CG1 4.45Å; F998-V1005 HydrophobicContact CZ-CG1 4.09Å; P1002-V1005 HydrophobicContact CB-CG2 4.47Å; P1002-V1005 HydrophobicContact CG-CG2 3.57Å; V1005-L1007 HydrophobicContact CG1-CD2 3.9Å; V1005-L1007 HydrophobicContact CG1-CG 4.11Å; V1005-A1034 PolarHBondContact N-O 3.21Å; V1005-V1035 HydrophobicContact CB-CG2 4.48Å; V1005-V1035 CarbonylContact O-C 3.53Å; V1005-V1035 WeakPolarHBondContact O-CA 3.42Å; V1005-I1036 PolarHBondContact O-N 3.32Å
1006I92.4Very high82.3Confident1 Ų116.4 Ų16.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-114.3124.3179.7-52.7176.7000108.7I900 L903 T904 V922 G923 V924 C925 V1004 I1036I900-I1006 HydrophobicContact CB-CG2 4.47Å; I900-I1006 HydrophobicContact CD1-CG2 4.1Å; I900-I1006 HydrophobicContact CG1-CG2 3.88Å; I900-I1006 HydrophobicContact CG2-CG2 3.97Å; L903-I1006 HydrophobicContact CB-CD1 3.83Å; T904-I1006 HydrophobicContact CG2-CD1 3.75Å; V922-I1006 HydrophobicContact CG1-CD1 3.83Å; V922-I1006 HydrophobicContact CG1-CG1 3.99Å; G923-I1006 PolarHBondContact O-N 2.84Å; V924-I1006 CarbonylContact C-O 3.55Å; V924-I1006 WeakPolarHBondContact CA-O 3.33Å; C925-I1006 PolarHBondContact N-O 3.14Å; V1004-I1006 HydrophobicContact CG1-CG1 4.16Å; I1006-I1036 CarbonylContact C-O 3.51Å; I1006-I1036 WeakPolarHBondContact CA-O 3.24Å; I1006-I1036 HydrophobicContact CG1-CB 4.26Å; I1006-I1036 HydrophobicContact CG1-CD1 4.31Å
1007L91.8Very high81.3Confident0 Ų022.2 Ų22.20%014%0.141CC..EExtended strand (participates in β ladder)trans-120.9108.6-179.8-55.4176.8000108.7C925 A997 F998 V1005 P1010 I1026 V1035 I1036 F1037 A1038C925-L1007 HydrophobicContact CB-CD2 3.55Å; A997-L1007 HydrophobicContact CB-CD2 4.05Å; F998-L1007 HydrophobicContact CE2-CD1 4.19Å; F998-L1007 HydrophobicContact CZ-CD1 4.29Å; V1005-L1007 HydrophobicContact CG1-CD2 3.9Å; V1005-L1007 HydrophobicContact CG1-CG 4.11Å; L1007-P1010 HydrophobicContact CB-CB 4.22Å; L1007-P1010 HydrophobicContact CB-CG 3.91Å; L1007-I1026 HydrophobicContact CD1-CD1 3.74Å; L1007-I1026 HydrophobicContact CD1-CG1 3.79Å; L1007-I1026 HydrophobicContact CD1-CG2 4.39Å; L1007-V1035 HydrophobicContact CD1-CG1 4.05Å; L1007-I1036 PolarHBondContact N-O 3.47Å; L1007-F1037 HydrophobicContact CB-CD2 4.27Å; L1007-F1037 HydrophobicContact CD1-CD2 4.25Å; L1007-A1038 PolarHBondContact O-N 3.16Å
1008D88Confident80.3Confident18 Ų1822.5 Ų22.510%0.09614%0.143CC..EExtended strand (participates in β ladder)trans-98.5107.4178.7-154.919.1000108.9I900 C925 W926 Q927 R990I900-D1008 HydrophobicContact CD1-CB 3.98Å; I900-D1008 VanDerWaalsContact CD1-OD1 3.28Å; I900-D1008 WeakPolarHBondContact CD1-OD1 3.49Å; C925-D1008 PolarHBondContact O-N 3.34Å; W926-D1008 CarbonylContact C-O 3.18Å; Q927-D1008 PolarHBondContact N-O 3.22Å; R990-D1008 PolarHBondContact NH2-O 3.38Å
1009E83.2Confident79.7Confident27 Ų2724.2 Ų24.213%0.12615%0.15CC..SBendtrans45.656.2-174.3-65.1-174-169.300114.7Q927 R990 C1011 N1012 A1038 H1040Q927-E1009 HydrophobicContact CG-CB 4.29Å; Q927-E1009 PolarHBondContact NE2-OE2 3.41Å; R990-E1009 PolarHBondContact NH2-O 2.98Å; E1009-C1011 PolarHBondContact O-N 3.28Å; E1009-N1012 HydrophobicContact CB-CB 4.07Å; E1009-N1012 PolarHBondContact O-N 2.88Å; E1009-N1012 PolarHBondContact OE2-ND2 2.92Å; E1009-A1038 WeakPolarHBondContact CA-O 3.24Å; E1009-A1038 PolarHBondContact N-O 3Å; E1009-H1040 IonicContact OE1-CD2 2.77Å; E1009-H1040 PolarHBondContact OE1-CD2 3.34Å; E1009-H1040 IonicContact OE1-NE2 3.48Å
1010P83.7Confident79.1Confident0 Ų026.6 Ų26.60%016%0.16CC..THydrogen-bonded Turntrans-60.3-13.8-17525.3-34.9000114.6R990 V994 L1007 I1026 F1037R990-P1010 WeakPolarHBondContact CG-O 3.49Å; R990-P1010 PolarHBondContact NE-O 2.7Å; V994-P1010 HydrophobicContact CG2-CB 4.23Å; L1007-P1010 HydrophobicContact CB-CB 4.22Å; L1007-P1010 HydrophobicContact CB-CG 3.91Å; P1010-I1026 HydrophobicContact CG-CD1 4.39Å; P1010-F1037 HydrophobicContact CG-CD2 3.87Å; P1010-F1037 HydrophobicContact CG-CE2 3.24Å; P1010-F1037 HydrophobicContact CG-CZ 3.99Å
1011C80.5Confident79Confident0 Ų028.2 Ų28.20%017%0.167CC..THydrogen-bonded Turntrans-120.43.7-172.9-64.70000114.8E1009 V1014 R1019 E1044E1009-C1011 PolarHBondContact O-N 3.28Å; C1011-V1014 PolarHBondContact O-N 3.32Å; C1011-R1019 HydrophobicContact CB-CG 4.02Å; C1011-E1044 WeakPolarHBondContact CB-OE1 3.45Å
1012N73.5Confident79.1Confident41 Ų4125.2 Ų25.222%0.21915%0.146CC..THydrogen-bonded Turntrans-69.1143.6173-166.9-0.6000110.4E1009 V1014 F1041 D1799E1009-N1012 HydrophobicContact CB-CB 4.07Å; E1009-N1012 PolarHBondContact O-N 2.88Å; E1009-N1012 PolarHBondContact OE2-ND2 2.92Å; N1012-V1014 PolarHBondContact O-N 3.39Å; N1012-F1041 HydrophobicContact CB-CE2 4.41Å; N1012-D1799 PolarHBondContact ND2-OD1 3.45Å
1013G64.5Low79.2Confident68 Ų6826.4 Ų26.470%0.70115%0.151SC*.THydrogen-bonded Turntrans68.97.5-173.200000115.8
1014V71.7Confident79Confident13 Ų1329.4 Ų29.48%0.07916%0.164CC..  trans-107.5144.1-179.2-170.40000110.6R990 C1011 N1012 A1018 I1022R990-V1014 HydrophobicContact CB-CG2 4.18Å; R990-V1014 HydrophobicContact CG-CG2 3.91Å; C1011-V1014 PolarHBondContact O-N 3.32Å; N1012-V1014 PolarHBondContact O-N 3.39Å; V1014-A1018 HydrophobicContact CG1-CB 3.41Å; V1014-A1018 VanDerWaalsContact CG1-CB 3.41Å; V1014-I1022 HydrophobicContact CG1-CD1 4.14Å; V1014-I1022 HydrophobicContact CG2-CD1 4.17Å
1015D66.8Low78.8Confident47 Ų4729.6 Ų29.625%0.25117%0.165SC..  trans-73.3164.3176.275-20.3000112.7K1017 A1018 R1019 N1686D1015-K1017 PolarHBondContact O-N 3.45Å; D1015-K1017 VanDerWaalsContact O-N 3.17Å; D1015-A1018 PolarHBondContact O-N 2.92Å; D1015-A1018 WeakPolarHBondContact OD1-CB 3.26Å; D1015-A1018 PolarHBondContact OD1-N 3.02Å; D1015-R1019 VanDerWaalsContact O-CB 3.23Å; D1015-R1019 WeakPolarHBondContact O-CB 3.35Å; D1015-R1019 PolarHBondContact O-N 2.82Å; D1015-N1686 HydrophobicContact CB-CB 4.35Å
1016A66.8Low78.6Confident38 Ų3829.6 Ų29.631%0.31417%0.165SC..Hα-helixtrans-57.3-33.5-177.100000113K1020A1016-K1020 VanDerWaalsContact O-CG 3.31Å; A1016-K1020 WeakPolarHBondContact O-CG 3.44Å; A1016-K1020 PolarHBondContact O-N 3.36Å; A1016-K1020 VanDerWaalsContact O-N 3.15Å
1017K68.8Low78Confident124 Ų12431.6 Ų31.654%0.53917%0.174SC..Hα-helixtrans-70.6-54.4177.4-173167.8-176.91670112.1D1015 R1019 K1020 D1021D1015-K1017 PolarHBondContact O-N 3.45Å; D1015-K1017 VanDerWaalsContact O-N 3.17Å; K1017-R1019 PolarHBondContact O-N 3.24Å; K1017-K1020 WeakPolarHBondContact O-CB 3.45Å; K1017-K1020 PolarHBondContact O-N 3.21Å; K1017-K1020 VanDerWaalsContact O-N 3.16Å; K1017-D1021 PolarHBondContact O-N 2.87Å; K1017-D1021 VanDerWaalsContact O-N 3.08Å
1018A71.3Confident77.5Confident6 Ų636.2 Ų36.25%0.0519%0.191CC..Hα-helixtrans-70.8-19.6179.200000113R991 V1014 D1015 I1022R991-A1018 VanDerWaalsContact NH2-CB 3.26Å; V1014-A1018 HydrophobicContact CG1-CB 3.41Å; V1014-A1018 VanDerWaalsContact CG1-CB 3.41Å; D1015-A1018 PolarHBondContact O-N 2.92Å; D1015-A1018 WeakPolarHBondContact OD1-CB 3.26Å; D1015-A1018 PolarHBondContact OD1-N 3.02Å; A1018-I1022 WeakPolarHBondContact O-CB 3.3Å; A1018-I1022 WeakPolarHBondContact O-CD1 3.35Å; A1018-I1022 VanDerWaalsContact O-CG1 3.23Å; A1018-I1022 WeakPolarHBondContact O-CG1 3.49Å; A1018-I1022 PolarHBondContact O-N 3.11Å
1019R76.6Confident77.3Confident38 Ų3836.3 Ų36.314%0.14319%0.192CC..Hα-helixtrans-62.7-51.4165.5179.6-175.8-62.3169-1.7111.3C1011 D1015 K1017 D1021 I1022 W1023 E1044C1011-R1019 HydrophobicContact CB-CG 4.02Å; D1015-R1019 VanDerWaalsContact O-CB 3.23Å; D1015-R1019 WeakPolarHBondContact O-CB 3.35Å; D1015-R1019 PolarHBondContact O-N 2.82Å; K1017-R1019 PolarHBondContact O-N 3.24Å; R1019-D1021 VanDerWaalsContact C-N 3.28Å; R1019-D1021 PolarHBondContact O-N 3.31Å; R1019-I1022 PolarHBondContact O-N 3.4Å; R1019-I1022 VanDerWaalsContact O-N 3.12Å; R1019-W1023 HydrophobicContact CG-CD2 4.44Å; R1019-W1023 HydrophobicContact CG-CZ2 3.78Å; R1019-W1023 VanDerWaalsContact O-CD1 3.3Å; R1019-W1023 PolarHBondContact O-N 3.42Å; R1019-E1044 WeakPolarHBondContact CD-OE1 3.49Å; R1019-E1044 IonicContact CZ-OE1 3.95Å; R1019-E1044 IonicContact NE-OE1 3.41Å; R1019-E1044 PolarHBondContact NE-OE1 2.78Å; R1019-E1044 VanDerWaalsContact NE-OE1 3.17Å
1020K74.7Confident77.4Confident50 Ų5036.5 Ų36.522%0.21719%0.191CC..Hα-helixtrans-56.1-42.4174.7-70.7166.5-178.8178.70111.3A1016 K1017 I1022 W1023 Q1024 E1946A1016-K1020 VanDerWaalsContact O-CG 3.31Å; A1016-K1020 WeakPolarHBondContact O-CG 3.44Å; A1016-K1020 PolarHBondContact O-N 3.36Å; A1016-K1020 VanDerWaalsContact O-N 3.15Å; K1017-K1020 WeakPolarHBondContact O-CB 3.45Å; K1017-K1020 PolarHBondContact O-N 3.21Å; K1017-K1020 VanDerWaalsContact O-N 3.16Å; K1020-I1022 PolarHBondContact O-N 3.02Å; K1020-W1023 HydrophobicContact CG-CE3 4.41Å; K1020-W1023 HydrophobicContact CG-CZ3 4.37Å; K1020-W1023 WeakPolarHBondContact O-CB 3.24Å; K1020-W1023 PolarHBondContact O-N 3.11Å; K1020-Q1024 PolarHBondContact O-N 3.38Å; K1020-Q1024 VanDerWaalsContact O-N 3.11Å; K1020-E1946 IonicContact NZ-OE1 2.77Å; K1020-E1946 PolarHBondContact NZ-OE1 3.28Å; K1020-E1946 IonicContact NZ-OE2 3.35Å; K1020-E1946 PolarHBondContact NZ-OE2 3.47Å
1021D76.9Confident77.3Confident47 Ų4743.8 Ų43.825%0.25123%0.225SC..Hα-helixtrans-65.2-37.6176.4-67.3-3.6000112.9R991 K1017 R1019 L1025R991-D1021 IonicContact CZ-OD2 2.12Å; R991-D1021 IonicContact NH1-OD2 3.61Å; R991-D1021 PolarHBondContact NH1-OD2 3.19Å; R991-D1021 IonicContact NH2-OD2 3.58Å; R991-D1021 PolarHBondContact NH2-OD2 2.97Å; K1017-D1021 PolarHBondContact O-N 2.87Å; K1017-D1021 VanDerWaalsContact O-N 3.08Å; R1019-D1021 VanDerWaalsContact C-N 3.28Å; R1019-D1021 PolarHBondContact O-N 3.31Å; D1021-L1025 WeakPolarHBondContact O-CB 3.26Å; D1021-L1025 PolarHBondContact O-N 3.48Å; D1021-L1025 VanDerWaalsContact O-N 3.07Å
1022I83.4Confident77.3Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-68-37174.6-72.4165.4000111.1R990 R991 V994 V1014 A1018 R1019 K1020 L1025 I1026R990-I1022 HydrophobicContact CB-CD1 4.08Å; R990-I1022 HydrophobicContact CG-CD1 3.81Å; R991-I1022 HydrophobicContact CG-CG1 3.95Å; V994-I1022 HydrophobicContact CG2-CG2 4.35Å; V1014-I1022 HydrophobicContact CG1-CD1 4.14Å; V1014-I1022 HydrophobicContact CG2-CD1 4.17Å; A1018-I1022 WeakPolarHBondContact O-CB 3.3Å; A1018-I1022 WeakPolarHBondContact O-CD1 3.35Å; A1018-I1022 VanDerWaalsContact O-CG1 3.23Å; A1018-I1022 WeakPolarHBondContact O-CG1 3.49Å; A1018-I1022 PolarHBondContact O-N 3.11Å; R1019-I1022 PolarHBondContact O-N 3.4Å; R1019-I1022 VanDerWaalsContact O-N 3.12Å; K1020-I1022 PolarHBondContact O-N 3.02Å; I1022-L1025 WeakPolarHBondContact O-CB 3.43Å; I1022-L1025 PolarHBondContact O-N 2.99Å; I1022-I1026 HydrophobicContact CG2-CD1 3.86Å; I1022-I1026 HydrophobicContact CG2-CG1 4.43Å; I1022-I1026 WeakPolarHBondContact O-CG1 3.33Å; I1022-I1026 PolarHBondContact O-N 3.33Å
1023W85Confident77.9Confident27 Ų2745 Ų4510%0.10224%0.241CC..Hα-helixtrans-59.9-50.7173.8-63.6-9.8000111.4R1019 K1020 L1025 I1026 E1027 D1043 E1044 Y1047 L1048R1019-W1023 HydrophobicContact CG-CD2 4.44Å; R1019-W1023 HydrophobicContact CG-CZ2 3.78Å; R1019-W1023 VanDerWaalsContact O-CD1 3.3Å; R1019-W1023 PolarHBondContact O-N 3.42Å; K1020-W1023 HydrophobicContact CG-CE3 4.41Å; K1020-W1023 HydrophobicContact CG-CZ3 4.37Å; K1020-W1023 WeakPolarHBondContact O-CB 3.24Å; K1020-W1023 PolarHBondContact O-N 3.11Å; W1023-L1025 PolarHBondContact O-N 3.43Å; W1023-I1026 PolarHBondContact O-N 3.03Å; W1023-E1027 VanDerWaalsContact O-CB 3.29Å; W1023-E1027 WeakPolarHBondContact O-CB 3.26Å; W1023-E1027 PolarHBondContact O-N 3.01Å; W1023-D1043 HydrophobicContact CH2-CB 4.33Å; W1023-E1044 HydrophobicContact CZ2-CB 4.36Å; W1023-E1044 HydrophobicContact CZ2-CG 3.7Å; W1023-Y1047 HydrophobicContact CB-CD1 3.89Å; W1023-Y1047 HydrophobicContact CB-CE1 3.82Å; W1023-Y1047 AromaticContact CD2-CD1 3.79Å; W1023-Y1047 HydrophobicContact CD2-CD1 3.79Å; W1023-Y1047 HydrophobicContact CD2-CE1 4.42Å; W1023-Y1047 HydrophobicContact CD2-CG 4.12Å; W1023-Y1047 AromaticContact CE3-CD1 3.62Å; W1023-Y1047 HydrophobicContact CE3-CD1 3.62Å; W1023-Y1047 HydrophobicContact CE3-CD2 4.04Å; W1023-Y1047 HydrophobicContact CE3-CE1 4.11Å; W1023-Y1047 HydrophobicContact CE3-CE2 4.44Å; W1023-Y1047 AromaticContact CE3-CG 3.63Å; W1023-Y1047 HydrophobicContact CE3-CG 3.63Å; W1023-Y1047 AromaticContact CG-CD1 3.96Å; W1023-Y1047 HydrophobicContact CG-CD1 3.96Å; W1023-Y1047 HydrophobicContact CG-CE1 4.37Å; W1023-Y1047 HydrophobicContact CZ3-CD1 4.37Å; W1023-Y1047 HydrophobicContact CZ3-CD2 4.12Å; W1023-Y1047 AromaticContact CZ3-CG 3.91Å; W1023-Y1047 HydrophobicContact CZ3-CG 3.91Å; W1023-L1048 HydrophobicContact CB-CD2 4.02Å; W1023-L1048 HydrophobicContact CG-CD1 4.42Å; W1023-L1048 HydrophobicContact CG-CD2 4.35Å; W1023-L1048 HydrophobicContact CG-CG 4.4Å
1024Q79.2Confident79.2Confident72 Ų7241.7 Ų41.734%0.33621%0.207SC..Hα-helixtrans-60.4-30.8176.3-67.9-178.92.800113K1020 R1028K1020-Q1024 PolarHBondContact O-N 3.38Å; K1020-Q1024 VanDerWaalsContact O-N 3.11Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.5Å; Q1024-R1028 VanDerWaalsContact O-CG 3.3Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.43Å; Q1024-R1028 PolarHBondContact O-N 2.88Å; Q1024-R1028 PolarHBondContact O-NE 3.39Å
1025L83.4Confident80.1Confident5 Ų541.1 Ų41.13%0.02620%0.204CC..Hα-helixtrans-70.3-45.5176-177.566.8000111.2L971 R991 V994 D1021 I1022 W1023 R1028 L1029L971-L1025 HydrophobicContact CD2-CD1 3.86Å; L971-L1025 HydrophobicContact CD2-CD2 3.62Å; L971-L1025 HydrophobicContact CD2-CG 4.41Å; L971-L1025 HydrophobicContact CG-CD1 4.4Å; R991-L1025 HydrophobicContact CB-CD2 4.36Å; V994-L1025 HydrophobicContact CB-CD2 4.15Å; V994-L1025 HydrophobicContact CG1-CD2 3.8Å; V994-L1025 HydrophobicContact CG1-CG 4.28Å; D1021-L1025 WeakPolarHBondContact O-CB 3.26Å; D1021-L1025 PolarHBondContact O-N 3.48Å; D1021-L1025 VanDerWaalsContact O-N 3.07Å; I1022-L1025 WeakPolarHBondContact O-CB 3.43Å; I1022-L1025 PolarHBondContact O-N 2.99Å; W1023-L1025 PolarHBondContact O-N 3.43Å; L1025-R1028 PolarHBondContact O-N 2.86Å; L1025-L1029 HydrophobicContact CD1-CD1 3.62Å; L1025-L1029 HydrophobicContact CD1-CG 4.29Å; L1025-L1029 HydrophobicContact CG-CD1 3.92Å; L1025-L1029 VanDerWaalsContact O-CB 3.31Å; L1025-L1029 WeakPolarHBondContact O-CB 3.48Å; L1025-L1029 VanDerWaalsContact O-CG 3.27Å; L1025-L1029 WeakPolarHBondContact O-CG 3.45Å; L1025-L1029 PolarHBondContact O-N 3.27Å
1026I87.3Confident81.3Confident0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-61.5-44.8174.3-67.1164.5000110.5V994 F998 L1007 P1010 I1022 W1023 R1028 L1029 R1030 V1035 F1037 L1048V994-I1026 HydrophobicContact CG1-CG1 4.21Å; F998-I1026 HydrophobicContact CE2-CB 4.44Å; F998-I1026 HydrophobicContact CE2-CG1 4.08Å; F998-I1026 HydrophobicContact CZ-CB 4.49Å; F998-I1026 HydrophobicContact CZ-CG1 4.49Å; F998-I1026 HydrophobicContact CZ-CG2 4.25Å; L1007-I1026 HydrophobicContact CD1-CD1 3.74Å; L1007-I1026 HydrophobicContact CD1-CG1 3.79Å; L1007-I1026 HydrophobicContact CD1-CG2 4.39Å; P1010-I1026 HydrophobicContact CG-CD1 4.39Å; I1022-I1026 HydrophobicContact CG2-CD1 3.86Å; I1022-I1026 HydrophobicContact CG2-CG1 4.43Å; I1022-I1026 WeakPolarHBondContact O-CG1 3.33Å; I1022-I1026 PolarHBondContact O-N 3.33Å; W1023-I1026 PolarHBondContact O-N 3.03Å; I1026-R1028 PolarHBondContact O-N 3.46Å; I1026-L1029 PolarHBondContact O-N 3.45Å; I1026-R1030 WeakPolarHBondContact O-CB 3.39Å; I1026-R1030 PolarHBondContact O-N 3.33Å; I1026-V1035 HydrophobicContact CG2-CG1 4.46Å; I1026-F1037 HydrophobicContact CD1-CD2 4.38Å; I1026-F1037 HydrophobicContact CD1-CE2 3.98Å; I1026-L1048 HydrophobicContact CB-CD2 4.42Å; I1026-L1048 HydrophobicContact CD1-CD1 3.9Å; I1026-L1048 HydrophobicContact CG2-CD1 4.47Å; I1026-L1048 HydrophobicContact CG2-CD2 4.24Å
1027E81.8Confident82.4Confident43 Ų4337 Ų3720%0.20118%0.177CC..Hα-helixtrans-65.5-35.1-178.3-170.2177.6161.500112.9W1023 R1030 Y1047 A1896W1023-E1027 VanDerWaalsContact O-CB 3.29Å; W1023-E1027 WeakPolarHBondContact O-CB 3.26Å; W1023-E1027 PolarHBondContact O-N 3.01Å; E1027-R1030 WeakPolarHBondContact O-CG 3.48Å; E1027-Y1047 VanDerWaalsContact OE2-CE1 3.28Å; E1027-Y1047 WeakPolarHBondContact OE2-CE1 3.5Å; E1027-Y1047 PolarHBondContact OE2-OH 2.88Å; E1027-A1896 HydrophobicContact CG-CB 4.32Å; E1027-A1896 WeakPolarHBondContact OE1-CA 3.34Å; E1027-A1896 WeakPolarHBondContact OE1-CB 3.27Å; E1027-A1896 PolarHBondContact OE1-N 2.94Å
1028R81.2Confident83.4Confident97 Ų9731.2 Ų31.237%0.36615%0.152SC..Hα-helixtrans-73-39.8170.8-77.6177.6-83.6157-9.3112.7S970 Q1024 L1025 I1026S970-R1028 PolarHBondContact O-NH1 3.45Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.5Å; Q1024-R1028 VanDerWaalsContact O-CG 3.3Å; Q1024-R1028 WeakPolarHBondContact O-CG 3.43Å; Q1024-R1028 PolarHBondContact O-N 2.88Å; Q1024-R1028 PolarHBondContact O-NE 3.39Å; L1025-R1028 PolarHBondContact O-N 2.86Å; I1026-R1028 PolarHBondContact O-N 3.46Å
1029L83.6Confident84Confident20 Ų2031 Ų3111%0.10515%0.149CC..Hα-helixtrans-90.6-1.8-172.8-63.8176.3000115.2F998 L1025 I1026 Q1031 R1033F998-L1029 HydrophobicContact CB-CB 4.07Å; F998-L1029 HydrophobicContact CB-CD1 3.79Å; F998-L1029 HydrophobicContact CB-CG 4.45Å; F998-L1029 HydrophobicContact CD1-CB 3.67Å; F998-L1029 VanDerWaalsContact CD1-O 3.3Å; F998-L1029 WeakPolarHBondContact CD1-O 3.34Å; F998-L1029 HydrophobicContact CD2-CB 3.77Å; F998-L1029 HydrophobicContact CD2-CD1 3.73Å; F998-L1029 HydrophobicContact CD2-CG 4.42Å; F998-L1029 HydrophobicContact CE1-CB 3.97Å; F998-L1029 WeakPolarHBondContact CE1-O 3.39Å; F998-L1029 HydrophobicContact CE2-CB 4.07Å; F998-L1029 HydrophobicContact CG-CB 3.57Å; F998-L1029 HydrophobicContact CG-CD1 3.88Å; F998-L1029 HydrophobicContact CG-CG 4.35Å; F998-L1029 HydrophobicContact CZ-CB 4.16Å; L1025-L1029 HydrophobicContact CD1-CD1 3.62Å; L1025-L1029 HydrophobicContact CD1-CG 4.29Å; L1025-L1029 HydrophobicContact CG-CD1 3.92Å; L1025-L1029 VanDerWaalsContact O-CB 3.31Å; L1025-L1029 WeakPolarHBondContact O-CB 3.48Å; L1025-L1029 VanDerWaalsContact O-CG 3.27Å; L1025-L1029 WeakPolarHBondContact O-CG 3.45Å; L1025-L1029 PolarHBondContact O-N 3.27Å; I1026-L1029 PolarHBondContact O-N 3.45Å; L1029-Q1031 VanDerWaalsContact C-N 3.33Å; L1029-Q1031 PolarHBondContact O-N 3.47Å; L1029-R1033 WeakPolarHBondContact O-CD 3.42Å; L1029-R1033 PolarHBondContact O-NH1 3.43Å
1030R84.8Confident83.9Confident31 Ų3130.3 Ų30.312%0.11715%0.148CC..THydrogen-bonded Turntrans-74.8-12.3178.766.6175170.6165-5.1115.6I1026 E1027 G1032 R1033 V1035 D1050 H1897I1026-R1030 WeakPolarHBondContact O-CB 3.39Å; I1026-R1030 PolarHBondContact O-N 3.33Å; E1027-R1030 WeakPolarHBondContact O-CG 3.48Å; R1030-G1032 PolarHBondContact O-N 2.86Å; R1030-R1033 PolarHBondContact O-N 3.24Å; R1030-R1033 VanDerWaalsContact O-N 3.12Å; R1030-V1035 HydrophobicContact CB-CG2 3.79Å; R1030-D1050 IonicContact CZ-OD1 3.16Å; R1030-D1050 IonicContact CZ-OD2 2.78Å; R1030-D1050 IonicContact NH1-OD1 3.91Å; R1030-D1050 PolarHBondContact NH1-OD1 3.14Å; R1030-D1050 IonicContact NH1-OD2 2.73Å; R1030-D1050 PolarHBondContact NH1-OD2 3.12Å; R1030-H1897 PolarHBondContact NH1-NE2 3.35Å
1031Q82.4Confident83.8Confident153 Ų15330 Ų3072%0.71515%0.147SC*.THydrogen-bonded Turntrans-61.6128-175.8-60.4-172.78.100111.8L1029 R1033L1029-Q1031 VanDerWaalsContact C-N 3.33Å; L1029-Q1031 PolarHBondContact O-N 3.47Å; Q1031-R1033 VanDerWaalsContact C-N 3.33Å; Q1031-R1033 WeakPolarHBondContact O-CG 3.42Å
1032G79.8Confident83.7Confident45 Ų4528.3 Ų28.346%0.46414%0.137SC..THydrogen-bonded Turntrans83.7-7.9-176.600000115.7N883 R1030N883-G1032 VanDerWaalsContact OD1-CA 3.3Å; N883-G1032 WeakPolarHBondContact OD1-CA 3.44Å; N883-G1032 PolarHBondContact OD1-N 2.91Å; R1030-G1032 PolarHBondContact O-N 2.86Å
1033R86.8Confident83.2Confident20 Ų2031 Ų318%0.07515%0.152CC..SBendtrans-122.6148.7-159.8-53.3172.2-170.2163.9-14.4111.4N883 F998 S1001 P1002 L1029 R1030 Q1031N883-R1033 PolarHBondContact N-O 2.88Å; F998-R1033 PolarHBondContact O-NH1 3.01Å; F998-R1033 PolarHBondContact O-NH2 3.48Å; S1001-R1033 PolarHBondContact OG-NH2 3.14Å; P1002-R1033 VanDerWaalsContact O-CG 3.3Å; P1002-R1033 WeakPolarHBondContact O-CG 3.49Å; L1029-R1033 WeakPolarHBondContact O-CD 3.42Å; L1029-R1033 PolarHBondContact O-NH1 3.43Å; R1030-R1033 PolarHBondContact O-N 3.24Å; R1030-R1033 VanDerWaalsContact O-N 3.12Å; Q1031-R1033 VanDerWaalsContact C-N 3.33Å; Q1031-R1033 WeakPolarHBondContact O-CG 3.42Å
1034A90Very high82.7Confident0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-91.2116.4169.600000109.3A881 S1003 V1004 V1005A881-A1034 WeakPolarHBondContact O-CA 3.43Å; A881-A1034 WeakPolarHBondContact O-CB 3.41Å; S1003-A1034 PolarHBondContact O-N 3.34Å; V1004-A1034 CarbonylContact C-O 3.57Å; V1004-A1034 WeakPolarHBondContact CA-O 3.37Å; V1004-A1034 HydrophobicContact CG2-CB 4.46Å; V1005-A1034 PolarHBondContact N-O 3.21Å
1035V91.6Very high82.8Confident0 Ų026.2 Ų26.20%013%0.131CC..EExtended strand (participates in β ladder)trans-105.8114.8-175-175.80000110Q884 V885 S886 F998 V1005 L1007 I1026 R1030Q884-V1035 PolarHBondContact O-N 2.92Å; V885-V1035 CarbonylContact C-O 3.45Å; V885-V1035 WeakPolarHBondContact CA-O 3.25Å; V885-V1035 HydrophobicContact CG1-CB 4.49Å; V885-V1035 HydrophobicContact CG1-CG1 4.33Å; V885-V1035 HydrophobicContact CG2-CB 4.17Å; S886-V1035 PolarHBondContact N-O 3.15Å; F998-V1035 HydrophobicContact CE1-CG2 3.95Å; F998-V1035 HydrophobicContact CZ-CG1 4.43Å; F998-V1035 HydrophobicContact CZ-CG2 4.2Å; V1005-V1035 HydrophobicContact CB-CG2 4.48Å; V1005-V1035 CarbonylContact O-C 3.53Å; V1005-V1035 WeakPolarHBondContact O-CA 3.42Å; L1007-V1035 HydrophobicContact CD1-CG1 4.05Å; I1026-V1035 HydrophobicContact CG2-CG1 4.46Å; R1030-V1035 HydrophobicContact CB-CG2 3.79Å
1036I92.3Very high82.5Confident0 Ų029.6 Ų29.60%015%0.145CC..EExtended strand (participates in β ladder)trans-99.5115.8177.8-53-179.4000107.6F880 S886 L888 L903 V1004 V1005 I1006 L1007F880-I1036 HydrophobicContact CB-CD1 4.4Å; F880-I1036 HydrophobicContact CD1-CD1 3.9Å; F880-I1036 HydrophobicContact CD1-CG1 3.76Å; F880-I1036 HydrophobicContact CD2-CD1 3.63Å; F880-I1036 HydrophobicContact CD2-CG1 4.39Å; F880-I1036 HydrophobicContact CE1-CD1 3.95Å; F880-I1036 HydrophobicContact CE1-CG1 3.93Å; F880-I1036 HydrophobicContact CE1-CG2 3.99Å; F880-I1036 HydrophobicContact CE2-CD1 3.67Å; F880-I1036 HydrophobicContact CG-CD1 3.72Å; F880-I1036 HydrophobicContact CG-CG1 3.99Å; F880-I1036 HydrophobicContact CZ-CD1 3.82Å; F880-I1036 HydrophobicContact CZ-CG1 4.3Å; F880-I1036 HydrophobicContact CZ-CG2 4.17Å; S886-I1036 WeakPolarHBondContact O-CA 3.46Å; L888-I1036 HydrophobicContact CD1-CG2 3.83Å; L888-I1036 HydrophobicContact CG-CG2 4.23Å; L903-I1036 HydrophobicContact CD1-CD1 3.8Å; V1004-I1036 HydrophobicContact CG1-CD1 3.82Å; V1004-I1036 HydrophobicContact CG1-CG1 4.27Å; V1005-I1036 PolarHBondContact O-N 3.32Å; I1006-I1036 CarbonylContact C-O 3.51Å; I1006-I1036 WeakPolarHBondContact CA-O 3.24Å; I1006-I1036 HydrophobicContact CG1-CB 4.26Å; I1006-I1036 HydrophobicContact CG1-CD1 4.31Å; L1007-I1036 PolarHBondContact N-O 3.47Å
1037F90.2Very high81.9Confident0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-122.2100.5-165.9-179.9-93.2000110.8V885 S886 C887 L888 L1007 P1010 I1026 T1039 E1044 L1048V885-F1037 HydrophobicContact CG1-CB 3.85Å; V885-F1037 HydrophobicContact CG1-CG 4.38Å; S886-F1037 PolarHBondContact O-N 2.97Å; C887-F1037 CarbonylContact C-O 3.55Å; C887-F1037 WeakPolarHBondContact CA-O 3.34Å; C887-F1037 HydrophobicContact CB-CD1 4.25Å; C887-F1037 PolarHBondContact SG-O 3.46Å; L888-F1037 PolarHBondContact N-O 3.45Å; L1007-F1037 HydrophobicContact CB-CD2 4.27Å; L1007-F1037 HydrophobicContact CD1-CD2 4.25Å; P1010-F1037 HydrophobicContact CG-CD2 3.87Å; P1010-F1037 HydrophobicContact CG-CE2 3.24Å; P1010-F1037 HydrophobicContact CG-CZ 3.99Å; I1026-F1037 HydrophobicContact CD1-CD2 4.38Å; I1026-F1037 HydrophobicContact CD1-CE2 3.98Å; F1037-T1039 HydrophobicContact CD1-CG2 4.2Å; F1037-T1039 HydrophobicContact CE1-CG2 3.58Å; F1037-T1039 HydrophobicContact CZ-CG2 4.49Å; F1037-E1044 HydrophobicContact CE1-CB 3.97Å; F1037-E1044 HydrophobicContact CZ-CB 3.94Å; F1037-L1048 HydrophobicContact CD2-CD1 3.95Å; F1037-L1048 HydrophobicContact CE1-CD1 4.07Å; F1037-L1048 HydrophobicContact CE2-CD1 3.32Å; F1037-L1048 HydrophobicContact CZ-CD1 3.45Å; F1037-L1048 VanDerWaalsContact CZ-CD1 3.45Å
1038A89.1Confident81.8Confident2 Ų229.6 Ų29.62%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-90.1128.3174.400000110.6L888 I900 L1007 E1009L888-A1038 HydrophobicContact CB-CB 4.25Å; I900-A1038 HydrophobicContact CD1-CB 3.75Å; L1007-A1038 PolarHBondContact O-N 3.16Å; E1009-A1038 WeakPolarHBondContact CA-O 3.24Å; E1009-A1038 PolarHBondContact N-O 3Å
1039T83.3Confident81.8Confident0 Ų025 Ų250%013%0.126CC..  trans-144.1170.1174.6-167.70000111.3L888 K896 F1037 F1041 E1044 A1045L888-T1039 PolarHBondContact O-N 2.94Å; K896-T1039 PolarHBondContact NZ-O 2.93Å; F1037-T1039 HydrophobicContact CD1-CG2 4.2Å; F1037-T1039 HydrophobicContact CE1-CG2 3.58Å; F1037-T1039 HydrophobicContact CZ-CG2 4.49Å; T1039-F1041 WeakPolarHBondContact CG2-O 3.44Å; T1039-F1041 PolarHBondContact OG1-N 3.01Å; T1039-E1044 HydrophobicContact CG2-CB 4.27Å; T1039-E1044 PolarHBondContact OG1-OE2 2.91Å; T1039-A1045 HydrophobicContact CG2-CB 4.35Å
1040H74.8Confident81.9Confident25 Ų2524.8 Ų24.812%0.11613%0.126CC..SBendtrans-116-8.9164.5-73.4-103.9000112G890 N892 K896 E1009G890-H1040 PolarHBondContact O-CE1 3.35Å; N892-H1040 PolarHBondContact OD1-CE1 2.86Å; K896-H1040 WeakPolarHBondContact CE-NE2 3.17Å; K896-H1040 PolarHBondContact NZ-CD2 3.24Å; K896-H1040 PolarHBondContact NZ-CE1 2.78Å; K896-H1040 PolarHBondContact NZ-NE2 2.94Å; E1009-H1040 IonicContact OE1-CD2 2.77Å; E1009-H1040 PolarHBondContact OE1-CD2 3.34Å; E1009-H1040 IonicContact OE1-NE2 3.48Å
1041F72.4Confident82Confident43 Ų4324.2 Ų24.219%0.18913%0.126CC..  trans-88.9127.1178.8-64.2-74.6000111N1012 T1039 E1044 A1045N1012-F1041 HydrophobicContact CB-CE2 4.41Å; T1039-F1041 WeakPolarHBondContact CG2-O 3.44Å; T1039-F1041 PolarHBondContact OG1-N 3.01Å; F1041-E1044 HydrophobicContact CB-CB 4.22Å; F1041-E1044 VanDerWaalsContact CB-CD 3.47Å; F1041-E1044 HydrophobicContact CB-CG 3.62Å; F1041-E1044 VanDerWaalsContact CD2-OE1 3.32Å; F1041-E1044 WeakPolarHBondContact CD2-OE1 3.37Å; F1041-E1044 PolarHBondContact O-N 3.01Å; F1041-A1045 PolarHBondContact O-N 3.49Å
1042M75.4Confident82.3Confident11 Ų1116.9 Ų16.95%0.0549%0.092CC..Hα-helixtrans-84.5-27.6-167.5-55-156.659.700112.6L889 E1044 A1045 K1046 L1158 E1159 F1162 P1802L889-M1042 HydrophobicContact CD2-CE 3.83Å; M1042-E1044 VanDerWaalsContact C-N 3.3Å; M1042-E1044 PolarHBondContact O-N 2.91Å; M1042-A1045 PolarHBondContact O-N 3.45Å; M1042-K1046 WeakPolarHBondContact O-CB 3.39Å; M1042-K1046 PolarHBondContact O-N 2.87Å; M1042-L1158 HydrophobicContact CE-CB 3.99Å; M1042-L1158 HydrophobicContact CE-CD2 3.97Å; M1042-L1158 HydrophobicContact CE-CG 3.63Å; M1042-L1158 WeakPolarHBondContact CE-O 3.45Å; M1042-E1159 HydrophobicContact CB-CG 3.99Å; M1042-E1159 HydrophobicContact CE-CB 4.49Å; M1042-E1159 HydrophobicContact CE-CG 4.33Å; M1042-E1159 HydrophobicContact CG-CG 4.24Å; M1042-E1159 HydrophobicContact SD-CB 3.98Å; M1042-E1159 HydrophobicContact SD-CG 3.66Å; M1042-F1162 HydrophobicContact CE-CB 3.69Å; M1042-F1162 HydrophobicContact CE-CD1 4.48Å; M1042-F1162 HydrophobicContact CE-CG 4.14Å; M1042-F1162 HydrophobicContact SD-CB 4.36Å; M1042-F1162 HydrophobicContact SD-CD1 4.23Å; M1042-F1162 HydrophobicContact SD-CG 4.47Å; M1042-P1802 HydrophobicContact SD-CG 4.09Å
1043D72.1Confident82.8Confident56 Ų5614.8 Ų14.830%0.2997%0.07SC..Hα-helixtrans-62.7-37.6168.3-48.4-74.1000111.6W1023 K1046 Y1047 R1940W1023-D1043 HydrophobicContact CH2-CB 4.33Å; D1043-K1046 PolarHBondContact O-N 3.33Å; D1043-Y1047 WeakPolarHBondContact O-CB 3.47Å; D1043-Y1047 PolarHBondContact O-N 3.09Å; D1043-R1940 IonicContact OD1-CZ 3.86Å; D1043-R1940 IonicContact OD1-NH1 3.22Å; D1043-R1940 PolarHBondContact OD1-NH1 3.07Å; D1043-R1940 IonicContact OD1-NH2 3.9Å
1044E75.9Confident82.8Confident0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-66.7-42.6178.3-58.7-178.7179.400111.5C1011 R1019 W1023 F1037 T1039 F1041 M1042 Y1047 L1048C1011-E1044 WeakPolarHBondContact CB-OE1 3.45Å; R1019-E1044 WeakPolarHBondContact CD-OE1 3.49Å; R1019-E1044 IonicContact CZ-OE1 3.95Å; R1019-E1044 IonicContact NE-OE1 3.41Å; R1019-E1044 PolarHBondContact NE-OE1 2.78Å; R1019-E1044 VanDerWaalsContact NE-OE1 3.17Å; W1023-E1044 HydrophobicContact CZ2-CB 4.36Å; W1023-E1044 HydrophobicContact CZ2-CG 3.7Å; F1037-E1044 HydrophobicContact CE1-CB 3.97Å; F1037-E1044 HydrophobicContact CZ-CB 3.94Å; T1039-E1044 HydrophobicContact CG2-CB 4.27Å; T1039-E1044 PolarHBondContact OG1-OE2 2.91Å; F1041-E1044 HydrophobicContact CB-CB 4.22Å; F1041-E1044 VanDerWaalsContact CB-CD 3.47Å; F1041-E1044 HydrophobicContact CB-CG 3.62Å; F1041-E1044 VanDerWaalsContact CD2-OE1 3.32Å; F1041-E1044 WeakPolarHBondContact CD2-OE1 3.37Å; F1041-E1044 PolarHBondContact O-N 3.01Å; M1042-E1044 VanDerWaalsContact C-N 3.3Å; M1042-E1044 PolarHBondContact O-N 2.91Å; E1044-Y1047 PolarHBondContact O-N 2.87Å; E1044-L1048 WeakPolarHBondContact O-CB 3.28Å; E1044-L1048 PolarHBondContact O-N 3.46Å
1045A80.6Confident82.6Confident0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-62.1-50.1173.300000111.1T1039 F1041 M1042 Y1047 S1049 L1052 L1158T1039-A1045 HydrophobicContact CG2-CB 4.35Å; F1041-A1045 PolarHBondContact O-N 3.49Å; M1042-A1045 PolarHBondContact O-N 3.45Å; A1045-Y1047 VanDerWaalsContact C-N 3.28Å; A1045-Y1047 PolarHBondContact O-N 3.07Å; A1045-S1049 WeakPolarHBondContact O-CB 3.32Å; A1045-S1049 PolarHBondContact O-N 2.88Å; A1045-S1049 PolarHBondContact O-OG 2.89Å; A1045-L1052 HydrophobicContact CB-CD1 4.06Å; A1045-L1158 HydrophobicContact CB-CD2 4.09Å
1046K76.2Confident82.2Confident75 Ų7514.8 Ų14.833%0.3267%0.07SC..Hα-helixtrans-60.8-35.6178.3-178170.2178.3168.60112.8M1042 D1043 R1066 C1073M1042-K1046 WeakPolarHBondContact O-CB 3.39Å; M1042-K1046 PolarHBondContact O-N 2.87Å; D1043-K1046 PolarHBondContact O-N 3.33Å; K1046-R1066 PolarHBondContact O-NH1 2.99Å; K1046-C1073 VanDerWaalsContact CE-SG 3.56Å
1047Y75.2Confident81.4Confident35 Ų3520.6 Ų20.614%0.13710%0.101CC..Hα-helixtrans-75.1-61.3178.7-171.6-95000112.4W1023 E1027 D1043 E1044 A1045 Y1895W1023-Y1047 HydrophobicContact CB-CD1 3.89Å; W1023-Y1047 HydrophobicContact CB-CE1 3.82Å; W1023-Y1047 AromaticContact CD2-CD1 3.79Å; W1023-Y1047 HydrophobicContact CD2-CD1 3.79Å; W1023-Y1047 HydrophobicContact CD2-CE1 4.42Å; W1023-Y1047 HydrophobicContact CD2-CG 4.12Å; W1023-Y1047 AromaticContact CE3-CD1 3.62Å; W1023-Y1047 HydrophobicContact CE3-CD1 3.62Å; W1023-Y1047 HydrophobicContact CE3-CD2 4.04Å; W1023-Y1047 HydrophobicContact CE3-CE1 4.11Å; W1023-Y1047 HydrophobicContact CE3-CE2 4.44Å; W1023-Y1047 AromaticContact CE3-CG 3.63Å; W1023-Y1047 HydrophobicContact CE3-CG 3.63Å; W1023-Y1047 AromaticContact CG-CD1 3.96Å; W1023-Y1047 HydrophobicContact CG-CD1 3.96Å; W1023-Y1047 HydrophobicContact CG-CE1 4.37Å; W1023-Y1047 HydrophobicContact CZ3-CD1 4.37Å; W1023-Y1047 HydrophobicContact CZ3-CD2 4.12Å; W1023-Y1047 AromaticContact CZ3-CG 3.91Å; W1023-Y1047 HydrophobicContact CZ3-CG 3.91Å; E1027-Y1047 VanDerWaalsContact OE2-CE1 3.28Å; E1027-Y1047 WeakPolarHBondContact OE2-CE1 3.5Å; E1027-Y1047 PolarHBondContact OE2-OH 2.88Å; D1043-Y1047 WeakPolarHBondContact O-CB 3.47Å; D1043-Y1047 PolarHBondContact O-N 3.09Å; E1044-Y1047 PolarHBondContact O-N 2.87Å; A1045-Y1047 VanDerWaalsContact C-N 3.28Å; A1045-Y1047 PolarHBondContact O-N 3.07Å; Y1047-Y1895 HydrophobicContact CD2-CG 4.5Å; Y1047-Y1895 AromaticContact CE2-CD1 3.39Å; Y1047-Y1895 HydrophobicContact CE2-CD1 3.39Å; Y1047-Y1895 AromaticContact CE2-CD2 3.92Å; Y1047-Y1895 HydrophobicContact CE2-CD2 3.92Å; Y1047-Y1895 AromaticContact CE2-CE1 3.81Å; Y1047-Y1895 HydrophobicContact CE2-CE1 3.81Å; Y1047-Y1895 HydrophobicContact CE2-CE2 4.25Å; Y1047-Y1895 AromaticContact CE2-CG 3.43Å; Y1047-Y1895 HydrophobicContact CE2-CG 3.43Å; Y1047-Y1895 VanDerWaalsContact CE2-CG 3.43Å; Y1047-Y1895 AromaticContact CZ-CD1 3.79Å; Y1047-Y1895 WeakPolarHBondContact OH-CB 3.2Å; Y1047-Y1895 WeakPolarHBondContact OH-CD1 3.17Å
1048L80.4Confident80.9Confident8 Ų820.7 Ų20.74%0.04210%0.102CC..Hα-helixtrans-83.2-27-167.5-67.6174.3000114.3V885 W1023 I1026 F1037 E1044 D1050V885-L1048 VanDerWaalsContact CB-O 3.25Å; V885-L1048 WeakPolarHBondContact CB-O 3.42Å; V885-L1048 HydrophobicContact CG1-CB 4.24Å; W1023-L1048 HydrophobicContact CB-CD2 4.02Å; W1023-L1048 HydrophobicContact CG-CD1 4.42Å; W1023-L1048 HydrophobicContact CG-CD2 4.35Å; W1023-L1048 HydrophobicContact CG-CG 4.4Å; I1026-L1048 HydrophobicContact CB-CD2 4.42Å; I1026-L1048 HydrophobicContact CD1-CD1 3.9Å; I1026-L1048 HydrophobicContact CG2-CD1 4.47Å; I1026-L1048 HydrophobicContact CG2-CD2 4.24Å; F1037-L1048 HydrophobicContact CD2-CD1 3.95Å; F1037-L1048 HydrophobicContact CE1-CD1 4.07Å; F1037-L1048 HydrophobicContact CE2-CD1 3.32Å; F1037-L1048 HydrophobicContact CZ-CD1 3.45Å; F1037-L1048 VanDerWaalsContact CZ-CD1 3.45Å; E1044-L1048 WeakPolarHBondContact O-CB 3.28Å; E1044-L1048 PolarHBondContact O-N 3.46Å; L1048-D1050 PolarHBondContact O-N 3.3Å
1049S81.7Confident80.7Confident0 Ų028.4 Ų28.40%013%0.131CC..  trans-75.9130.5-168.270.70000113.7A1045 S1051 R1066 L1069A1045-S1049 WeakPolarHBondContact O-CB 3.32Å; A1045-S1049 PolarHBondContact O-N 2.88Å; A1045-S1049 PolarHBondContact O-OG 2.89Å; S1049-S1051 WeakPolarHBondContact CB-O 3.42Å; S1049-R1066 VanDerWaalsContact O-CD 3.28Å; S1049-R1066 WeakPolarHBondContact O-CD 3.25Å; S1049-R1066 PolarHBondContact O-NH1 3.45Å; S1049-R1066 VanDerWaalsContact O-NH1 3.17Å; S1049-L1069 VanDerWaalsContact OG-CD1 3.3Å; S1049-L1069 WeakPolarHBondContact OG-CD1 3.47Å
1050D84.7Confident80.9Confident16 Ų1630.5 Ų30.59%0.08614%0.142CC..SBendtrans-96.1-19.9162.9-47.3-71.2000110.6Q884 V885 R1030 L1048 R1066 H1897Q884-D1050 HydrophobicContact CG-CB 3.65Å; V885-D1050 PolarHBondContact N-OD2 3.14Å; V885-D1050 PolarHBondContact O-N 2.93Å; R1030-D1050 IonicContact CZ-OD1 3.16Å; R1030-D1050 IonicContact CZ-OD2 2.78Å; R1030-D1050 IonicContact NH1-OD1 3.91Å; R1030-D1050 PolarHBondContact NH1-OD1 3.14Å; R1030-D1050 IonicContact NH1-OD2 2.73Å; R1030-D1050 PolarHBondContact NH1-OD2 3.12Å; L1048-D1050 PolarHBondContact O-N 3.3Å; D1050-R1066 PolarHBondContact O-N 3.35Å; D1050-H1897 VanDerWaalsContact CG-NE2 3.33Å; D1050-H1897 IonicContact OD1-CD2 3.23Å; D1050-H1897 IonicContact OD1-NE2 2.76Å; D1050-H1897 PolarHBondContact OD1-NE2 3.21Å
1051S87.4Confident81.4Confident19 Ų1932.9 Ų32.913%0.13315%0.154CC..EExtended strand (participates in β ladder)trans-141136.4166.6175.10000109.8V885 S886 C887 S1049 H1064V885-S1051 PolarHBondContact O-N 3.26Å; V885-S1051 VanDerWaalsContact O-N 3.11Å; S886-S1051 CarbonylContact C-O 3.48Å; S886-S1051 WeakPolarHBondContact CA-O 3.26Å; C887-S1051 PolarHBondContact N-O 3.48Å; S1049-S1051 WeakPolarHBondContact CB-O 3.42Å; S1051-H1064 CarbonylContact C-O 3.55Å; S1051-H1064 WeakPolarHBondContact CA-O 3.46Å
1052L88.6Confident82Confident0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-119.7130.9176.4-179.769.6000110.3C887 L889 A1045 I1054 Q1063 H1064 L1069 L1158C887-L1052 HydrophobicContact CB-CD1 3.65Å; C887-L1052 VanDerWaalsContact SG-CD1 3.55Å; L889-L1052 HydrophobicContact CB-CD1 3.84Å; L889-L1052 HydrophobicContact CD2-CD1 4.35Å; L889-L1052 HydrophobicContact CD2-CD2 4.3Å; A1045-L1052 HydrophobicContact CB-CD1 4.06Å; L1052-I1054 HydrophobicContact CD2-CD1 4.36Å; L1052-I1054 HydrophobicContact CD2-CG1 4.29Å; L1052-I1054 HydrophobicContact CG-CG1 4.32Å; L1052-Q1063 CarbonylContact O-C 3.54Å; L1052-Q1063 VanDerWaalsContact O-CA 3.3Å; L1052-Q1063 WeakPolarHBondContact O-CA 3.49Å; L1052-H1064 HydrophobicContact CB-CB 4.44Å; L1052-H1064 PolarHBondContact N-O 2.84Å; L1052-H1064 PolarHBondContact O-N 2.98Å; L1052-L1069 HydrophobicContact CB-CD1 3.99Å; L1052-L1069 HydrophobicContact CB-CD2 4.21Å; L1052-L1069 HydrophobicContact CD2-CD2 3.76Å; L1052-L1158 HydrophobicContact CD2-CD1 3.7Å; L1052-L1158 HydrophobicContact CD2-CD2 3.87Å; L1052-L1158 HydrophobicContact CD2-CG 4.31Å
1053V89.4Confident82.5Confident0 Ų036.4 Ų36.40%018%0.175CC..EExtended strand (participates in β ladder)trans-118.2119.6177.9-177.40000109.1L878 C887 L888 L889 M1055 I1060 Q1063L878-V1053 HydrophobicContact CD1-CG2 3.86Å; L878-V1053 HydrophobicContact CD2-CG1 4.32Å; L878-V1053 HydrophobicContact CD2-CG2 4.18Å; C887-V1053 PolarHBondContact O-N 3.47Å; L888-V1053 HydrophobicContact CD2-CB 4.14Å; L888-V1053 HydrophobicContact CD2-CG1 4.48Å; L889-V1053 PolarHBondContact N-O 3.47Å; V1053-M1055 HydrophobicContact CG1-CG 4.34Å; V1053-I1060 HydrophobicContact CG1-CB 4.33Å; V1053-I1060 HydrophobicContact CG1-CD1 3.72Å; V1053-I1060 HydrophobicContact CG1-CG1 3.72Å; V1053-I1060 HydrophobicContact CG1-CG2 3.72Å; V1053-Q1063 HydrophobicContact CG1-CG 4.5Å; V1053-Q1063 HydrophobicContact CG2-CG 4.44Å
1054I88.1Confident83.1Confident1 Ų134.7 Ų34.71%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-99.8116.9-179.2-56.5-176.2000109.4L889 L1052 I1061 A1062 F1162 L1165L889-I1054 HydrophobicContact CD2-CG1 4.36Å; L1052-I1054 HydrophobicContact CD2-CD1 4.36Å; L1052-I1054 HydrophobicContact CD2-CG1 4.29Å; L1052-I1054 HydrophobicContact CG-CG1 4.32Å; I1054-I1061 PolarHBondContact O-N 3.09Å; I1054-A1062 HydrophobicContact CB-CB 4.42Å; I1054-A1062 PolarHBondContact N-O 3.02Å; I1054-F1162 HydrophobicContact CG2-CD2 4Å; I1054-F1162 HydrophobicContact CG2-CE2 4.19Å; I1054-L1165 HydrophobicContact CD1-CD1 3.73Å; I1054-L1165 HydrophobicContact CG2-CD1 4.35Å
1055M85.6Confident83.5Confident1 Ų137.1 Ų37.11%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-107.5142.6-177.6-63.2-174.769.900113.3L876 L889 G890 A894 K896 L899 V1053 R1059 I1060L876-M1055 HydrophobicContact CD1-CE 3.65Å; L889-M1055 PolarHBondContact O-N 3.45Å; G890-M1055 VanDerWaalsContact CA-O 3.22Å; G890-M1055 WeakPolarHBondContact CA-O 3.46Å; A894-M1055 HydrophobicContact CB-CB 4.33Å; A894-M1055 WeakPolarHBondContact CB-O 3.41Å; K896-M1055 HydrophobicContact CG-SD 4.2Å; L899-M1055 HydrophobicContact CD2-SD 4.14Å; V1053-M1055 HydrophobicContact CG1-CG 4.34Å; M1055-R1059 CarbonylContact C-O 3.51Å; M1055-R1059 VanDerWaalsContact CA-O 3.24Å; M1055-R1059 WeakPolarHBondContact CA-O 3.36Å; M1055-I1060 HydrophobicContact CG-CG1 4.42Å
1056R81.7Confident83.4Confident19 Ų1938.6 Ų38.67%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-146.6139.3170.2-176.4-179.8-175.8170.48.4109.5G1058 R1059 I1061 L1165 N1166 G1169 E1170R1056-G1058 PolarHBondContact O-N 2.69Å; R1056-R1059 PolarHBondContact N-O 2.93Å; R1056-R1059 PolarHBondContact O-N 3.13Å; R1056-R1059 VanDerWaalsContact O-O 3.13Å; R1056-I1061 HydrophobicContact CB-CD1 3.42Å; R1056-I1061 VanDerWaalsContact CB-CD1 3.42Å; R1056-I1061 HydrophobicContact CB-CG1 3.93Å; R1056-I1061 HydrophobicContact CG-CD1 4.27Å; R1056-L1165 PolarHBondContact NH1-O 3.42Å; R1056-N1166 PolarHBondContact NH1-O 3.46Å; R1056-N1166 PolarHBondContact NH2-O 2.81Å; R1056-G1169 VanDerWaalsContact NH2-C 3.29Å; R1056-G1169 PolarHBondContact NH2-O 3.18Å; R1056-E1170 IonicContact CZ-OE1 3.71Å; R1056-E1170 IonicContact NH2-OE1 3.65Å; R1056-E1170 PolarHBondContact NH2-OE1 3.36Å
1057N77.1Confident83.3Confident121 Ų12139 Ų3965%0.64719%0.193SC*.THydrogen-bonded Turntrans4837.3173.7-61.1-8.6000114.8R1059N1057-R1059 VanDerWaalsContact C-N 3.33Å; N1057-R1059 PolarHBondContact O-N 3.36Å
1058G78.4Confident83.5Confident2 Ų239.3 Ų39.32%0.02120%0.2CC..THydrogen-bonded Turntrans78.67.8-179.800000115.8A872 V873 S874 A894 R1056A872-G1058 WeakPolarHBondContact O-CA 3.37Å; V873-G1058 CarbonylContact C-O 3.57Å; V873-G1058 WeakPolarHBondContact CA-O 3.29Å; S874-G1058 PolarHBondContact N-O 3.27Å; A894-G1058 WeakPolarHBondContact O-CA 3.48Å; A894-G1058 PolarHBondContact O-N 2.93Å; R1056-G1058 PolarHBondContact O-N 2.69Å
1059R86.5Confident83.2Confident164 Ų16439.4 Ų39.462%0.61920%0.201SC*.EExtended strand (participates in β ladder)trans-119.2159.9176.5-64.4-179.7-176.8177.61.7110.8S874 M1055 R1056 N1057S874-R1059 WeakPolarHBondContact OG-CG 3.38Å; S874-R1059 PolarHBondContact OG-NE 3.16Å; M1055-R1059 CarbonylContact C-O 3.51Å; M1055-R1059 VanDerWaalsContact CA-O 3.24Å; M1055-R1059 WeakPolarHBondContact CA-O 3.36Å; R1056-R1059 PolarHBondContact N-O 2.93Å; R1056-R1059 PolarHBondContact O-N 3.13Å; R1056-R1059 VanDerWaalsContact O-O 3.13Å; N1057-R1059 VanDerWaalsContact C-N 3.33Å; N1057-R1059 PolarHBondContact O-N 3.36Å
1060I86.2Confident82.8Confident44 Ų4440.6 Ų40.623%0.22621%0.207CC..EExtended strand (participates in β ladder)trans-87.8130.5166.2-59.2172.7000107.1L876 L878 V1053 M1055 A1062 Q1063L876-I1060 HydrophobicContact CD1-CD1 4.08Å; L876-I1060 HydrophobicContact CD1-CG1 3.89Å; L876-I1060 HydrophobicContact CD2-CD1 4.24Å; L876-I1060 HydrophobicContact CG-CD1 3.88Å; L876-I1060 HydrophobicContact CG-CG1 4.14Å; L878-I1060 HydrophobicContact CB-CD1 4.22Å; L878-I1060 HydrophobicContact CD1-CD1 4.47Å; L878-I1060 HydrophobicContact CD2-CD1 4.31Å; V1053-I1060 HydrophobicContact CG1-CB 4.33Å; V1053-I1060 HydrophobicContact CG1-CD1 3.72Å; V1053-I1060 HydrophobicContact CG1-CG1 3.72Å; V1053-I1060 HydrophobicContact CG1-CG2 3.72Å; M1055-I1060 HydrophobicContact CG-CG1 4.42Å; I1060-A1062 WeakPolarHBondContact CG2-O 3.38Å; I1060-Q1063 HydrophobicContact CG2-CG 3.77Å
1061I85.8Confident82.3Confident75 Ų7546.6 Ų46.639%0.38523%0.228SC..EExtended strand (participates in β ladder)trans-89.6-49.8171-56.3163.4000109.7I1054 R1056 L1165I1054-I1061 PolarHBondContact O-N 3.09Å; R1056-I1061 HydrophobicContact CB-CD1 3.42Å; R1056-I1061 VanDerWaalsContact CB-CD1 3.42Å; R1056-I1061 HydrophobicContact CB-CG1 3.93Å; R1056-I1061 HydrophobicContact CG-CD1 4.27Å; I1061-L1165 HydrophobicContact CD1-CB 4.43Å; I1061-L1165 HydrophobicContact CG2-CD2 4.01Å
1062A84Confident81.5Confident19 Ų1947.3 Ų47.316%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-142.3151.8-170.500000111.4I1054 I1060 H1064 L1165I1054-A1062 HydrophobicContact CB-CB 4.42Å; I1054-A1062 PolarHBondContact N-O 3.02Å; I1060-A1062 WeakPolarHBondContact CG2-O 3.38Å; A1062-H1064 VanDerWaalsContact CB-NE2 3.28Å; A1062-H1064 WeakPolarHBondContact CB-NE2 3.3Å; A1062-L1165 HydrophobicContact CB-CD1 4.04Å
1063Q86.5Confident80.6Confident109 Ų10947.6 Ų47.651%0.50923%0.232SC..EExtended strand (participates in β ladder)trans-133.5131.9173.9-60.6-1749.300108.9L1052 V1053 I1060L1052-Q1063 CarbonylContact O-C 3.54Å; L1052-Q1063 VanDerWaalsContact O-CA 3.3Å; L1052-Q1063 WeakPolarHBondContact O-CA 3.49Å; V1053-Q1063 HydrophobicContact CG1-CG 4.5Å; V1053-Q1063 HydrophobicContact CG2-CG 4.44Å; I1060-Q1063 HydrophobicContact CG2-CG 3.77Å
1064H85.8Confident79.7Confident20 Ų2048.2 Ų48.29%0.09324%0.236CC..EExtended strand (participates in β ladder)trans-129.2119.6-176.9-47.9-102.6000109.2S1051 L1052 A1062 L1069 E1161S1051-H1064 CarbonylContact C-O 3.55Å; S1051-H1064 WeakPolarHBondContact CA-O 3.46Å; L1052-H1064 HydrophobicContact CB-CB 4.44Å; L1052-H1064 PolarHBondContact N-O 2.84Å; L1052-H1064 PolarHBondContact O-N 2.98Å; A1062-H1064 VanDerWaalsContact CB-NE2 3.28Å; A1062-H1064 WeakPolarHBondContact CB-NE2 3.3Å; H1064-L1069 HydrophobicContact CB-CD2 3.62Å; H1064-L1069 HydrophobicContact CB-CG 3.69Å; H1064-E1161 IonicContact CE1-OE1 3.66Å; H1064-E1161 PolarHBondContact CE1-OE1 3.33Å; H1064-E1161 IonicContact CE1-OE2 3.74Å; H1064-E1161 IonicContact ND1-OE1 3.87Å; H1064-E1161 IonicContact ND1-OE2 2.96Å; H1064-E1161 IonicContact NE2-OE1 3.3Å; H1064-E1161 IonicContact NE2-OE2 2.75Å
1065S83.9Confident78.8Confident51 Ų5150 Ų5036%0.35725%0.248SC..EExtended strand (participates in β ladder)trans-70166.7166.666.10000110.6D1067 S1068 L1069S1065-D1067 PolarHBondContact O-N 3.29Å; S1065-D1067 VanDerWaalsContact O-N 3.16Å; S1065-S1068 PolarHBondContact O-N 3.26Å; S1065-S1068 PolarHBondContact OG-N 2.89Å; S1065-S1068 PolarHBondContact OG-OG 2.88Å; S1065-L1069 WeakPolarHBondContact O-CG 3.48Å; S1065-L1069 PolarHBondContact O-N 3.45Å
1066R77.6Confident78.2Confident31 Ų3152.5 Ų52.512%0.11726%0.262CS..Hα-helixtrans-47.8-41.9172.1-169.169.9-171.9163.75.7112.6K1046 S1049 D1050 L1069 Q1070K1046-R1066 PolarHBondContact O-NH1 2.99Å; S1049-R1066 VanDerWaalsContact O-CD 3.28Å; S1049-R1066 WeakPolarHBondContact O-CD 3.25Å; S1049-R1066 PolarHBondContact O-NH1 3.45Å; S1049-R1066 VanDerWaalsContact O-NH1 3.17Å; D1050-R1066 PolarHBondContact O-N 3.35Å; R1066-L1069 PolarHBondContact O-N 3.41Å; R1066-Q1070 WeakPolarHBondContact O-CB 3.24Å; R1066-Q1070 WeakPolarHBondContact O-CG 3.27Å; R1066-Q1070 PolarHBondContact O-N 2.91Å
1067D75.7Confident77.9Confident85 Ų8551.8 Ų51.846%0.45526%0.259SS..Hα-helixtrans-69.3-38.3178.7-59.7-37.3000112.9S1065 Q1070 R1071S1065-D1067 PolarHBondContact O-N 3.29Å; S1065-D1067 VanDerWaalsContact O-N 3.16Å; D1067-Q1070 PolarHBondContact O-N 3.02Å; D1067-R1071 WeakPolarHBondContact O-CB 3.22Å; D1067-R1071 VanDerWaalsContact O-CG 3.25Å; D1067-R1071 WeakPolarHBondContact O-CG 3.34Å; D1067-R1071 PolarHBondContact O-N 3.2Å
1068S79.3Confident77.9Confident40 Ų4046.5 Ų46.528%0.2823%0.232SC..Hα-helixtrans-68.1-39175.2-620000111.5S1065 R1071 L1072S1065-S1068 PolarHBondContact O-N 3.26Å; S1065-S1068 PolarHBondContact OG-N 2.89Å; S1065-S1068 PolarHBondContact OG-OG 2.88Å; S1068-R1071 PolarHBondContact O-N 3.24Å; S1068-L1072 WeakPolarHBondContact O-CB 3.42Å; S1068-L1072 PolarHBondContact O-N 2.92Å
1069L73.5Confident77.9Confident11 Ų1146.4 Ų46.46%0.05823%0.231CC..Hα-helixtrans-65.5-40.5173.9-69.2170.8000112.3S1049 L1052 H1064 S1065 R1066 L1072 C1073 L1158S1049-L1069 VanDerWaalsContact OG-CD1 3.3Å; S1049-L1069 WeakPolarHBondContact OG-CD1 3.47Å; L1052-L1069 HydrophobicContact CB-CD1 3.99Å; L1052-L1069 HydrophobicContact CB-CD2 4.21Å; L1052-L1069 HydrophobicContact CD2-CD2 3.76Å; H1064-L1069 HydrophobicContact CB-CD2 3.62Å; H1064-L1069 HydrophobicContact CB-CG 3.69Å; S1065-L1069 WeakPolarHBondContact O-CG 3.48Å; S1065-L1069 PolarHBondContact O-N 3.45Å; R1066-L1069 PolarHBondContact O-N 3.41Å; L1069-L1072 PolarHBondContact O-N 3.37Å; L1069-C1073 WeakPolarHBondContact O-CB 3.35Å; L1069-C1073 PolarHBondContact O-N 3.08Å; L1069-C1073 PolarHBondContact O-SG 3.08Å; L1069-L1158 HydrophobicContact CD2-CD1 3.96Å
1070Q73.3Confident77.4Confident25 Ų2544.4 Ų44.412%0.11722%0.223CC..Hα-helixtrans-60.9-52.4171.6-77.8179.514.200110.5R1066 D1067 L1072 C1073 T1074 F1869R1066-Q1070 WeakPolarHBondContact O-CB 3.24Å; R1066-Q1070 WeakPolarHBondContact O-CG 3.27Å; R1066-Q1070 PolarHBondContact O-N 2.91Å; D1067-Q1070 PolarHBondContact O-N 3.02Å; Q1070-L1072 PolarHBondContact O-N 2.95Å; Q1070-C1073 CarbonylContact O-C 3.58Å; Q1070-C1073 PolarHBondContact O-N 3.16Å; Q1070-T1074 PolarHBondContact O-N 3.49Å; Q1070-T1074 PolarHBondContact O-OG1 2.78Å; Q1070-T1074 VanDerWaalsContact O-OG1 3.05Å; Q1070-F1869 HydrophobicContact CG-CB 4.18Å; Q1070-F1869 HydrophobicContact CG-CD1 4.15Å; Q1070-F1869 HydrophobicContact CG-CG 4.23Å
1071R74.1Confident77.1Confident141 Ų14142.4 Ų42.453%0.53221%0.213SC..Hα-helixtrans-55.3-38177-73.8173.7-134.41682112.2D1067 S1068 T1074 S1075D1067-R1071 WeakPolarHBondContact O-CB 3.22Å; D1067-R1071 VanDerWaalsContact O-CG 3.25Å; D1067-R1071 WeakPolarHBondContact O-CG 3.34Å; D1067-R1071 PolarHBondContact O-N 3.2Å; S1068-R1071 PolarHBondContact O-N 3.24Å; R1071-T1074 CarbonylContact O-C 3.59Å; R1071-T1074 VanDerWaalsContact O-C 3.25Å; R1071-S1075 VanDerWaalsContact O-CA 3.32Å; R1071-S1075 WeakPolarHBondContact O-CA 3.43Å; R1071-S1075 WeakPolarHBondContact O-CB 3.35Å; R1071-S1075 PolarHBondContact O-N 3.31Å
1072L71.5Confident76.7Confident34 Ų3444.9 Ų44.918%0.17822%0.217CC..Hα-helixtrans-68.1-44.7175.3-166.9107.4000112.2S1068 L1069 Q1070 T1074 S1075 S1156 L1158 E1161S1068-L1072 WeakPolarHBondContact O-CB 3.42Å; S1068-L1072 PolarHBondContact O-N 2.92Å; L1069-L1072 PolarHBondContact O-N 3.37Å; Q1070-L1072 PolarHBondContact O-N 2.95Å; L1072-T1074 PolarHBondContact O-N 3.1Å; L1072-S1075 PolarHBondContact O-OG 3.32Å; L1072-S1075 VanDerWaalsContact O-OG 3.09Å; L1072-S1156 WeakPolarHBondContact O-CB 3.34Å; L1072-S1156 PolarHBondContact O-OG 3.22Å; L1072-L1158 HydrophobicContact CD2-CD1 4.29Å; L1072-E1161 VanDerWaalsContact CD1-CD 3.48Å; L1072-E1161 HydrophobicContact CD1-CG 4.48Å; L1072-E1161 WeakPolarHBondContact CD1-OE1 3.24Å; L1072-E1161 HydrophobicContact CD2-CB 4.21Å; L1072-E1161 VanDerWaalsContact CD2-OE2 3.31Å; L1072-E1161 WeakPolarHBondContact CD2-OE2 3.43Å
1073C68.8Low76.5Confident7 Ų744.1 Ų44.15%0.04721%0.211CC..Hα-helixtrans-70.8-18.7177.6-67.90000113.7K1046 L1069 Q1070 F1869K1046-C1073 VanDerWaalsContact CE-SG 3.56Å; L1069-C1073 WeakPolarHBondContact O-CB 3.35Å; L1069-C1073 PolarHBondContact O-N 3.08Å; L1069-C1073 PolarHBondContact O-SG 3.08Å; Q1070-C1073 CarbonylContact O-C 3.58Å; Q1070-C1073 PolarHBondContact O-N 3.16Å; C1073-F1869 HydrophobicContact CB-CE2 4.47Å; C1073-F1869 HydrophobicContact CB-CZ 4.16Å
1074T70.3Confident76.1Confident13 Ų1341.2 Ų41.28%0.0821%0.205CC..THydrogen-bonded Turntrans-127.939.7179.675.40000110.8Q1070 R1071 L1072 Y1123 F1869 R1933Q1070-T1074 PolarHBondContact O-N 3.49Å; Q1070-T1074 PolarHBondContact O-OG1 2.78Å; Q1070-T1074 VanDerWaalsContact O-OG1 3.05Å; R1071-T1074 CarbonylContact O-C 3.59Å; R1071-T1074 VanDerWaalsContact O-C 3.25Å; L1072-T1074 PolarHBondContact O-N 3.1Å; T1074-Y1123 WeakPolarHBondContact O-CB 3.48Å; T1074-F1869 HydrophobicContact CG2-CD2 3.57Å; T1074-F1869 HydrophobicContact CG2-CE2 3.53Å; T1074-R1933 HydrophobicContact CG2-CB 4.11Å; T1074-R1933 VanDerWaalsContact OG1-CD 3.22Å; T1074-R1933 WeakPolarHBondContact OG1-CD 3.07Å
1075S69.4Low75.8Confident37 Ų3745 Ų4526%0.25923%0.226SC..SBendtrans-91.1-54.2171.853.30000110.2R1071 L1072 S1122 Y1123 S1156R1071-S1075 VanDerWaalsContact O-CA 3.32Å; R1071-S1075 WeakPolarHBondContact O-CA 3.43Å; R1071-S1075 WeakPolarHBondContact O-CB 3.35Å; R1071-S1075 PolarHBondContact O-N 3.31Å; L1072-S1075 PolarHBondContact O-OG 3.32Å; L1072-S1075 VanDerWaalsContact O-OG 3.09Å; S1075-S1122 CarbonylContact O-C 3.57Å; S1075-S1122 WeakPolarHBondContact O-CA 3.32Å; S1075-S1122 PolarHBondContact O-OG 2.95Å; S1075-Y1123 WeakPolarHBondContact O-CB 3.44Å; S1075-Y1123 PolarHBondContact O-N 3.28Å; S1075-S1156 PolarHBondContact OG-OG 3.47Å
1076N73.5Confident75.4Confident55 Ų5545.4 Ų45.429%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-139.5146.9-172-65.8-15.7000112.5A1121 S1122 Y1123 S1155N1076-A1121 CarbonylContact C-O 3.46Å; N1076-A1121 WeakPolarHBondContact CA-O 3.15Å; N1076-A1121 WeakPolarHBondContact CB-O 3.44Å; N1076-S1122 WeakPolarHBondContact OD1-CA 3.42Å; N1076-S1122 PolarHBondContact OD1-OG 3.38Å; N1076-Y1123 VanDerWaalsContact C-CD2 3.42Å; N1076-Y1123 WeakPolarHBondContact O-CE2 3.45Å; N1076-S1155 WeakPolarHBondContact CB-OG 3.5Å; N1076-S1155 PolarHBondContact O-N 3.4Å
1077Y74.8Confident75.5Confident3 Ų348.7 Ų48.71%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-112143168.557.7-80000110.4I1079 N1120 A1121 Y1123 H1126 L1152 T1153Y1077-I1079 HydrophobicContact CD2-CD1 4.31Å; Y1077-I1079 HydrophobicContact CD2-CG1 3.85Å; Y1077-I1079 HydrophobicContact CE2-CD1 3.9Å; Y1077-I1079 HydrophobicContact CE2-CG1 3.97Å; Y1077-N1120 CarbonylContact O-C 3.39Å; Y1077-N1120 WeakPolarHBondContact O-CA 3.24Å; Y1077-A1121 HydrophobicContact CD1-CB 4.47Å; Y1077-A1121 WeakPolarHBondContact CD1-O 3.44Å; Y1077-A1121 HydrophobicContact CD2-CB 4.4Å; Y1077-A1121 HydrophobicContact CE1-CB 3.9Å; Y1077-A1121 HydrophobicContact CE2-CB 3.84Å; Y1077-A1121 PolarHBondContact N-O 3.34Å; Y1077-A1121 PolarHBondContact O-N 3.18Å; Y1077-Y1123 AromaticContact CD1-CD2 3.93Å; Y1077-Y1123 HydrophobicContact CD1-CD2 3.93Å; Y1077-Y1123 HydrophobicContact CD1-CE2 4.03Å; Y1077-Y1123 HydrophobicContact CD1-CG 4.38Å; Y1077-Y1123 HydrophobicContact CG-CE2 4.27Å; Y1077-H1126 AromaticContact CE1-CE1 3.83Å; Y1077-L1152 HydrophobicContact CD2-CD1 4.48Å; Y1077-L1152 HydrophobicContact CD2-CG 4.42Å; Y1077-T1153 CarbonylContact C-O 3.52Å; Y1077-T1153 WeakPolarHBondContact CA-O 3.22Å; Y1077-T1153 WeakPolarHBondContact CB-O 3.33Å
1078S76.4Confident75.5Confident10 Ų1045.2 Ų45.27%0.0724%0.241CC..EExtended strand (participates in β ladder)trans-107110.7175.133.80000108.7R1080 I1119 N1120 T1153 S1155S1078-R1080 PolarHBondContact O-N 3.19Å; S1078-I1119 CarbonylContact C-O 3.56Å; S1078-I1119 WeakPolarHBondContact CA-O 3.17Å; S1078-N1120 WeakPolarHBondContact CB-OD1 3.14Å; S1078-T1153 WeakPolarHBondContact CB-OG1 3.4Å; S1078-T1153 PolarHBondContact N-O 2.99Å; S1078-T1153 PolarHBondContact O-N 3Å; S1078-T1153 PolarHBondContact O-OG1 3.44Å; S1078-T1153 PolarHBondContact OG-O 3.28Å; S1078-T1153 PolarHBondContact OG-OG1 3.1Å; S1078-S1155 VanDerWaalsContact CB-CB 3.44Å; S1078-S1155 VanDerWaalsContact OG-CA 3.24Å; S1078-S1155 WeakPolarHBondContact OG-CA 3.45Å; S1078-S1155 VanDerWaalsContact OG-CB 3.22Å; S1078-S1155 WeakPolarHBondContact OG-CB 3.49Å; S1078-S1155 PolarHBondContact OG-N 3.43Å
1079I78.6Confident75.3Confident0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-84108.6166-51.6177.7000106.9Y1077 L1081 I1119 F1134 L1135 L1138 V1150 L1152Y1077-I1079 HydrophobicContact CD2-CD1 4.31Å; Y1077-I1079 HydrophobicContact CD2-CG1 3.85Å; Y1077-I1079 HydrophobicContact CE2-CD1 3.9Å; Y1077-I1079 HydrophobicContact CE2-CG1 3.97Å; I1079-L1081 HydrophobicContact CG2-CD1 4.31Å; I1079-L1081 HydrophobicContact CG2-CD2 3.56Å; I1079-L1081 HydrophobicContact CG2-CG 3.82Å; I1079-I1119 PolarHBondContact N-O 3.45Å; I1079-I1119 PolarHBondContact O-N 3.44Å; I1079-F1134 HydrophobicContact CD1-CD1 4.08Å; I1079-F1134 HydrophobicContact CD1-CE1 3.9Å; I1079-L1135 HydrophobicContact CD1-CD2 3.94Å; I1079-L1138 HydrophobicContact CD1-CD1 3.99Å; I1079-L1138 HydrophobicContact CG2-CD1 3.97Å; I1079-V1150 HydrophobicContact CG2-CG1 4.1Å; I1079-L1152 HydrophobicContact CG1-CG 4.49Å
1080R75.9Confident75.7Confident123 Ų12347.8 Ų47.846%0.46426%0.255SS..EExtended strand (participates in β ladder)trans-88.5129.1169.9177.5-173.5-67.5151.5-8.3108.5S1078 L1117 E1151S1078-R1080 PolarHBondContact O-N 3.19Å; R1080-L1117 WeakPolarHBondContact CA-O 3.24Å; R1080-E1151 HydrophobicContact CB-CB 4.29Å; R1080-E1151 IonicContact CZ-OE2 2.7Å; R1080-E1151 PolarHBondContact N-O 3.38Å; R1080-E1151 IonicContact NE-OE2 4Å; R1080-E1151 IonicContact NH1-OE2 3.15Å; R1080-E1151 PolarHBondContact NH1-OE2 2.96Å; R1080-E1151 PolarHBondContact O-N 3Å
1081L80Confident76.2Confident1 Ų150.2 Ų50.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-128.4138.3-174.6-59.9173.6000109.1I1079 V1092 S1116 L1117 I1119 L1138 I1147 V1150I1079-L1081 HydrophobicContact CG2-CD1 4.31Å; I1079-L1081 HydrophobicContact CG2-CD2 3.56Å; I1079-L1081 HydrophobicContact CG2-CG 3.82Å; L1081-V1092 HydrophobicContact CD1-CG1 3.44Å; L1081-V1092 VanDerWaalsContact CD1-CG1 3.44Å; L1081-S1116 WeakPolarHBondContact O-CA 3.34Å; L1081-L1117 HydrophobicContact CB-CB 4.39Å; L1081-L1117 PolarHBondContact N-O 2.72Å; L1081-L1117 PolarHBondContact O-N 2.97Å; L1081-I1119 HydrophobicContact CD1-CD1 3.64Å; L1081-I1119 HydrophobicContact CD1-CG1 4.48Å; L1081-L1138 HydrophobicContact CD1-CD1 4.3Å; L1081-L1138 HydrophobicContact CD1-CD2 3.58Å; L1081-L1138 HydrophobicContact CD2-CD1 4.12Å; L1081-L1138 HydrophobicContact CD2-CD2 3.91Å; L1081-L1138 HydrophobicContact CG-CD2 4.44Å; L1081-I1147 HydrophobicContact CD2-CG2 4.37Å; L1081-V1150 HydrophobicContact CD2-CB 4.09Å; L1081-V1150 HydrophobicContact CD2-CG1 3.82Å; L1081-V1150 HydrophobicContact CD2-CG2 3.67Å
1082R77.1Confident76.5Confident128 Ų12843.6 Ų43.648%0.48324%0.241SC..EExtended strand (participates in β ladder)trans-114.4103.9167-175.4174.3-176.9165.73.6108.8I1147 S1148 D1149R1082-I1147 CarbonylContact O-C 3.56Å; R1082-I1147 WeakPolarHBondContact O-CA 3.26Å; R1082-I1147 WeakPolarHBondContact O-CG2 3.26Å; R1082-S1148 WeakPolarHBondContact CD-OG 3.34Å; R1082-S1148 WeakPolarHBondContact CG-OG 3.48Å; R1082-S1148 PolarHBondContact O-N 2.89Å; R1082-S1148 PolarHBondContact O-OG 3.21Å; R1082-D1149 PolarHBondContact N-O 2.96Å
1083C80.3Confident76.9Confident3 Ų343.2 Ų43.22%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-75154.6173.7-61.40000110V1089 H1115 S1146C1083-V1089 HydrophobicContact CB-CG2 3.63Å; C1083-H1115 HydrophobicContact CB-CB 4.43Å; C1083-H1115 PolarHBondContact N-O 3.16Å; C1083-H1115 VanDerWaalsContact O-CB 3.28Å; C1083-H1115 WeakPolarHBondContact O-CB 3.43Å; C1083-S1146 WeakPolarHBondContact CA-O 3.26Å
1084A78.2Confident77.6Confident47 Ų4749.3 Ų49.339%0.38827%0.266SS..SBendtrans-69.4-53.5167.400000110.4H1115 S1146A1084-H1115 PolarHBondContact O-CD2 3.46Å; A1084-S1146 PolarHBondContact N-O 3.19Å
1085D79.8Confident78.2Confident100 Ų10051.3 Ų51.354%0.53527%0.274SS..SBendtrans-119158.9-171.7-58.8-44.5000113.2T1087 G1088 V1089D1085-T1087 WeakPolarHBondContact CB-OG1 3.46Å; D1085-T1087 PolarHBondContact O-N 3.21Å; D1085-G1088 PolarHBondContact O-N 3.11Å; D1085-G1088 VanDerWaalsContact O-N 3.11Å; D1085-V1089 PolarHBondContact O-N 2.83Å; D1085-V1089 VanDerWaalsContact O-N 3.15Å
1086A75.6Confident78.6Confident60 Ų6049.5 Ų49.550%0.49626%0.261SS..Hα-helixtrans-60.4-30.1172.500000113.5V1089 T1090A1086-V1089 WeakPolarHBondContact O-CB 3.31Å; A1086-V1089 PolarHBondContact O-N 3.32Å; A1086-T1090 PolarHBondContact O-N 2.89Å; A1086-T1090 VanDerWaalsContact O-N 3.07Å; A1086-T1090 PolarHBondContact O-OG1 3.17Å
1087T80Confident78.9Confident100 Ų10052.6 Ų52.661%0.61327%0.274SS*.Hα-helixtrans-62.9-44.9172.647.20000111.4D1085 V1089 T1090 F1091D1085-T1087 WeakPolarHBondContact CB-OG1 3.46Å; D1085-T1087 PolarHBondContact O-N 3.21Å; T1087-V1089 VanDerWaalsContact C-N 3.31Å; T1087-V1089 PolarHBondContact O-N 3.42Å; T1087-T1090 WeakPolarHBondContact CA-OG1 3.34Å; T1087-T1090 PolarHBondContact O-N 3.45Å; T1087-T1090 PolarHBondContact O-OG1 3.21Å; T1087-F1091 PolarHBondContact O-N 3.08Å
1088G75.6Confident79.2Confident12 Ų1258.7 Ų58.712%0.12430%0.303CS..Hα-helixtrans-58.4-41.9173.300000112.2D1085 F1091 V1092D1085-G1088 PolarHBondContact O-N 3.11Å; D1085-G1088 VanDerWaalsContact O-N 3.11Å; G1088-F1091 PolarHBondContact O-N 3Å; G1088-V1092 WeakPolarHBondContact O-CB 3.34Å; G1088-V1092 VanDerWaalsContact O-CG2 3.26Å; G1088-V1092 WeakPolarHBondContact O-CG2 3.26Å; G1088-V1092 PolarHBondContact O-N 3.2Å
1089V75.2Confident79.2Confident13 Ų1359.5 Ų59.58%0.07931%0.306CS..Hα-helixtrans-57.6-50.6173.3-179.30000110.7C1083 D1085 A1086 T1087 F1091 V1092 I1093 H1115 L1117C1083-V1089 HydrophobicContact CB-CG2 3.63Å; D1085-V1089 PolarHBondContact O-N 2.83Å; D1085-V1089 VanDerWaalsContact O-N 3.15Å; A1086-V1089 WeakPolarHBondContact O-CB 3.31Å; A1086-V1089 PolarHBondContact O-N 3.32Å; T1087-V1089 VanDerWaalsContact C-N 3.31Å; T1087-V1089 PolarHBondContact O-N 3.42Å; V1089-F1091 PolarHBondContact O-N 3.19Å; V1089-V1092 PolarHBondContact O-N 3.17Å; V1089-I1093 HydrophobicContact CG1-CD1 3.82Å; V1089-I1093 HydrophobicContact CG1-CG1 4.48Å; V1089-I1093 VanDerWaalsContact O-CG1 3.27Å; V1089-I1093 WeakPolarHBondContact O-CG1 3.03Å; V1089-I1093 PolarHBondContact O-N 2.87Å; V1089-H1115 HydrophobicContact CG2-CB 4.29Å; V1089-L1117 HydrophobicContact CG1-CD1 4.12Å
1090T80.9Confident79Confident91 Ų9159.6 Ų59.656%0.55831%0.307SS*.Hα-helixtrans-64.1-41.1-179.349.60000113.7A1086 T1087 I1093 Q1094A1086-T1090 PolarHBondContact O-N 2.89Å; A1086-T1090 VanDerWaalsContact O-N 3.07Å; A1086-T1090 PolarHBondContact O-OG1 3.17Å; T1087-T1090 WeakPolarHBondContact CA-OG1 3.34Å; T1087-T1090 PolarHBondContact O-N 3.45Å; T1087-T1090 PolarHBondContact O-OG1 3.21Å; T1090-I1093 PolarHBondContact O-N 3.17Å; T1090-Q1094 WeakPolarHBondContact O-CB 3.23Å; T1090-Q1094 PolarHBondContact O-N 3.09Å
1091F83.8Confident78.7Confident77 Ų7758.8 Ų58.834%0.33832%0.317SS..Hα-helixtrans-62.1-45.2177.1173.9-100000111.8T1087 G1088 V1089 Q1094 K1095 L1137 Q1141T1087-F1091 PolarHBondContact O-N 3.08Å; G1088-F1091 PolarHBondContact O-N 3Å; V1089-F1091 PolarHBondContact O-N 3.19Å; F1091-Q1094 PolarHBondContact O-N 3.07Å; F1091-K1095 HydrophobicContact CE1-CG 4.42Å; F1091-K1095 HydrophobicContact CE2-CG 4.27Å; F1091-K1095 HydrophobicContact CZ-CG 4.11Å; F1091-K1095 PolarHBondContact O-N 2.96Å; F1091-L1137 HydrophobicContact CE1-CD2 4.23Å; F1091-Q1141 HydrophobicContact CE1-CG 4.11Å
1092V80.4Confident78Confident2 Ų265.1 Ų65.11%0.01235%0.347CS..Hα-helixtrans-63-43.2177.5165.10000111.5L1081 G1088 V1089 K1095 A1096 L1117 I1119 L1138 I1147L1081-V1092 HydrophobicContact CD1-CG1 3.44Å; L1081-V1092 VanDerWaalsContact CD1-CG1 3.44Å; G1088-V1092 WeakPolarHBondContact O-CB 3.34Å; G1088-V1092 VanDerWaalsContact O-CG2 3.26Å; G1088-V1092 WeakPolarHBondContact O-CG2 3.26Å; G1088-V1092 PolarHBondContact O-N 3.2Å; V1089-V1092 PolarHBondContact O-N 3.17Å; V1092-K1095 PolarHBondContact O-N 3.01Å; V1092-A1096 VanDerWaalsContact O-CB 3.27Å; V1092-A1096 WeakPolarHBondContact O-CB 3.49Å; V1092-A1096 PolarHBondContact O-N 3.25Å; V1092-L1117 HydrophobicContact CB-CD2 4.46Å; V1092-L1117 HydrophobicContact CG1-CD2 3.65Å; V1092-I1119 HydrophobicContact CG1-CD1 3.9Å; V1092-L1138 HydrophobicContact CG1-CD2 4.27Å; V1092-L1138 HydrophobicContact CG2-CD2 4.31Å; V1092-I1147 HydrophobicContact CG2-CD1 3.87Å
1093I80.1Confident77.6Confident25 Ų2560.1 Ų60.113%0.12833%0.331CS..Hα-helixtrans-60.7-48.8176.5-68.4171.1000110.6V1089 T1090 K1095 A1096 Q1097 V1105 L1117V1089-I1093 HydrophobicContact CG1-CD1 3.82Å; V1089-I1093 HydrophobicContact CG1-CG1 4.48Å; V1089-I1093 VanDerWaalsContact O-CG1 3.27Å; V1089-I1093 WeakPolarHBondContact O-CG1 3.03Å; V1089-I1093 PolarHBondContact O-N 2.87Å; T1090-I1093 PolarHBondContact O-N 3.17Å; I1093-K1095 VanDerWaalsContact C-N 3.33Å; I1093-K1095 PolarHBondContact O-N 3.16Å; I1093-A1096 PolarHBondContact O-N 2.76Å; I1093-Q1097 HydrophobicContact CG2-CG 4.49Å; I1093-Q1097 WeakPolarHBondContact O-CG 3.25Å; I1093-Q1097 PolarHBondContact O-N 2.89Å; I1093-V1105 HydrophobicContact CD1-CG1 4.16Å; I1093-V1105 HydrophobicContact CG1-CG1 3.96Å; I1093-L1117 HydrophobicContact CD1-CD1 3.82Å; I1093-L1117 HydrophobicContact CD1-CD2 4.44Å; I1093-L1117 HydrophobicContact CG1-CD1 3.91Å; I1093-L1117 HydrophobicContact CG1-CD2 3.67Å; I1093-L1117 HydrophobicContact CG1-CG 4.44Å
1094Q83.9Confident77.2Confident136 Ų13666.2 Ų66.264%0.63636%0.359SS*.Hα-helixtrans-61-41.7-179.8-170.9-179.412.400111.6T1090 F1091 Q1098T1090-Q1094 WeakPolarHBondContact O-CB 3.23Å; T1090-Q1094 PolarHBondContact O-N 3.09Å; F1091-Q1094 PolarHBondContact O-N 3.07Å; Q1094-Q1098 WeakPolarHBondContact O-CB 3.27Å; Q1094-Q1098 PolarHBondContact O-N 3.39Å
1095K82.7Confident76.9Confident54 Ų5465.8 Ų65.824%0.23535%0.351CS..Hα-helixtrans-71.5-35.3176.6-82.9-70.6177.8-171.20113.7F1091 V1092 I1093 Q1098 L1099 F1134 L1137F1091-K1095 HydrophobicContact CE1-CG 4.42Å; F1091-K1095 HydrophobicContact CE2-CG 4.27Å; F1091-K1095 HydrophobicContact CZ-CG 4.11Å; F1091-K1095 PolarHBondContact O-N 2.96Å; V1092-K1095 PolarHBondContact O-N 3.01Å; I1093-K1095 VanDerWaalsContact C-N 3.33Å; I1093-K1095 PolarHBondContact O-N 3.16Å; K1095-Q1098 PolarHBondContact O-N 3.03Å; K1095-L1099 HydrophobicContact CD-CD1 4.45Å; K1095-L1099 WeakPolarHBondContact O-CB 3.45Å; K1095-L1099 PolarHBondContact O-N 2.86Å; K1095-F1134 HydrophobicContact CB-CE2 4.32Å; K1095-L1137 HydrophobicContact CB-CD2 4.11Å; K1095-L1137 HydrophobicContact CD-CD1 3.83Å; K1095-L1137 HydrophobicContact CG-CD1 4.03Å; K1095-L1137 HydrophobicContact CG-CD2 4.28Å
1096A77.4Confident76.3Confident0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-63.1-47.3173.900000111.3V1092 I1093 Q1098 L1099 L1100 I1119 F1134V1092-A1096 VanDerWaalsContact O-CB 3.27Å; V1092-A1096 WeakPolarHBondContact O-CB 3.49Å; V1092-A1096 PolarHBondContact O-N 3.25Å; I1093-A1096 PolarHBondContact O-N 2.76Å; A1096-Q1098 VanDerWaalsContact C-N 3.28Å; A1096-Q1098 PolarHBondContact O-N 3.1Å; A1096-L1099 PolarHBondContact O-N 3.08Å; A1096-L1100 WeakPolarHBondContact O-CA 3.41Å; A1096-L1100 WeakPolarHBondContact O-CB 3.39Å; A1096-L1100 PolarHBondContact O-N 2.87Å; A1096-I1119 HydrophobicContact CB-CD1 3.81Å; A1096-I1119 HydrophobicContact CB-CG2 4.31Å; A1096-F1134 HydrophobicContact CB-CE1 4.33Å; A1096-F1134 HydrophobicContact CB-CE2 3.88Å; A1096-F1134 HydrophobicContact CB-CZ 3.63Å
1097Q79.3Confident75.8Confident120 Ų12067.1 Ų67.156%0.56135%0.348SS*.Hα-helixtrans-65-30.3176.8-70.4174.1-20.200112.7I1093I1093-Q1097 HydrophobicContact CG2-CG 4.49Å; I1093-Q1097 WeakPolarHBondContact O-CG 3.25Å; I1093-Q1097 PolarHBondContact O-N 2.89Å
1098Q81.9Confident74.7Confident131 Ų13164.9 Ų64.961%0.61234%0.336SS*.Hα-helixtrans-72.6-40.6174.9-174.1177.123.900113.1Q1094 K1095 A1096Q1094-Q1098 WeakPolarHBondContact O-CB 3.27Å; Q1094-Q1098 PolarHBondContact O-N 3.39Å; K1095-Q1098 PolarHBondContact O-N 3.03Å; A1096-Q1098 VanDerWaalsContact C-N 3.28Å; A1096-Q1098 PolarHBondContact O-N 3.1Å
1099L77.3Confident73.6Confident26 Ų2668.3 Ų68.314%0.13637%0.372CS..Hα-helixtrans-98.9-18.8-170.5-68.7169.3000114.3K1095 A1096 E1133 F1134K1095-L1099 HydrophobicContact CD-CD1 4.45Å; K1095-L1099 WeakPolarHBondContact O-CB 3.45Å; K1095-L1099 PolarHBondContact O-N 2.86Å; A1096-L1099 PolarHBondContact O-N 3.08Å; L1099-E1133 HydrophobicContact CD1-CG 4.44Å; L1099-E1133 HydrophobicContact CD2-CG 4.46Å; L1099-F1134 HydrophobicContact CB-CB 4.23Å; L1099-F1134 HydrophobicContact CD1-CB 3.98Å; L1099-F1134 HydrophobicContact CD1-CD2 4.03Å; L1099-F1134 HydrophobicContact CD1-CG 4.49Å
1100L74.1Confident72.6Confident3 Ų370 Ų702%0.01639%0.387CS..  trans-136.686.7-176-62.9170.8000109.9A1096 Q1102 T1103 A1121 A1131 F1134A1096-L1100 WeakPolarHBondContact O-CA 3.41Å; A1096-L1100 WeakPolarHBondContact O-CB 3.39Å; A1096-L1100 PolarHBondContact O-N 2.87Å; L1100-Q1102 VanDerWaalsContact C-N 3.29Å; L1100-Q1102 PolarHBondContact O-N 3.27Å; L1100-T1103 HydrophobicContact CB-CG2 3.44Å; L1100-T1103 VanDerWaalsContact CB-CG2 3.44Å; L1100-T1103 HydrophobicContact CD1-CG2 4.04Å; L1100-T1103 HydrophobicContact CG-CG2 4.4Å; L1100-T1103 WeakPolarHBondContact O-CB 3.35Å; L1100-T1103 WeakPolarHBondContact O-CG2 3.37Å; L1100-T1103 PolarHBondContact O-N 3.45Å; L1100-T1103 VanDerWaalsContact O-N 3.16Å; L1100-T1103 PolarHBondContact O-OG1 3.19Å; L1100-A1121 HydrophobicContact CD1-CB 4.07Å; L1100-A1131 HydrophobicContact CD2-CB 3.97Å; L1100-F1134 HydrophobicContact CD1-CB 4.45Å; L1100-F1134 HydrophobicContact CD1-CD1 3.56Å; L1100-F1134 HydrophobicContact CD1-CE1 4.06Å; L1100-F1134 HydrophobicContact CD1-CG 4.13Å
1101P68.9Low71.3Confident106 Ų10670.4 Ų70.469%0.68840%0.4SS*.THydrogen-bonded Turntrans-69.1-18.7-165.126.7-35.3000115
1102Q66.2Low69.9Low133 Ų13372.6 Ų72.662%0.62142%0.415SS*.THydrogen-bonded Turntrans-96.721175.8-65.5-177.26500113.5L1100 Q1104 E1125L1100-Q1102 VanDerWaalsContact C-N 3.29Å; L1100-Q1102 PolarHBondContact O-N 3.27Å; Q1102-Q1104 PolarHBondContact O-N 3.09Å; Q1102-E1125 WeakPolarHBondContact CG-OE1 3.28Å; Q1102-E1125 PolarHBondContact NE2-OE1 3.34Å
1103T67.9Low69Low24 Ų2478.1 Ų78.115%0.14744%0.436CS..  trans-72127.7-177.138.70000114.4L1100 I1119 N1120 A1121L1100-T1103 HydrophobicContact CB-CG2 3.44Å; L1100-T1103 VanDerWaalsContact CB-CG2 3.44Å; L1100-T1103 HydrophobicContact CD1-CG2 4.04Å; L1100-T1103 HydrophobicContact CG-CG2 4.4Å; L1100-T1103 WeakPolarHBondContact O-CB 3.35Å; L1100-T1103 WeakPolarHBondContact O-CG2 3.37Å; L1100-T1103 PolarHBondContact O-N 3.45Å; L1100-T1103 VanDerWaalsContact O-N 3.16Å; L1100-T1103 PolarHBondContact O-OG1 3.19Å; T1103-I1119 HydrophobicContact CG2-CG2 3.47Å; T1103-I1119 VanDerWaalsContact CG2-CG2 3.47Å; T1103-N1120 VanDerWaalsContact CA-O 3.31Å; T1103-N1120 WeakPolarHBondContact CA-O 3.32Å; T1103-A1121 HydrophobicContact CG2-CB 3.89Å
1104Q71.2Confident68.2Low130 Ų13081.5 Ų81.561%0.60746%0.46SS*.EExtended strand (participates in β ladder)trans-95.2103.6163.3-66.3-177.9-5.300109.2Q1102 N1120Q1102-Q1104 PolarHBondContact O-N 3.09Å; Q1104-N1120 HydrophobicContact CB-CB 4.22Å; Q1104-N1120 PolarHBondContact N-O 3.39Å; Q1104-N1120 PolarHBondContact O-N 3.14Å
1105V72.2Confident67.6Low38 Ų3878.3 Ų78.323%0.2345%0.445CS..EExtended strand (participates in β ladder)trans-81.8125173.2178.90000109.2I1093 L1117I1093-V1105 HydrophobicContact CD1-CG1 4.16Å; I1093-V1105 HydrophobicContact CG1-CG1 3.96Å; V1105-L1117 HydrophobicContact CG1-CD1 3.57Å; V1105-L1117 HydrophobicContact CG1-CD2 4.5Å; V1105-L1117 HydrophobicContact CG1-CG 4.2Å
1106T67.3Low67.2Low64 Ų6476.7 Ų76.739%0.39344%0.441SS..EExtended strand (participates in β ladder)trans-121.8125.3174.740.80000110.6T1118T1106-T1118 PolarHBondContact N-O 3.18Å; T1106-T1118 PolarHBondContact O-N 3.49Å; T1106-T1118 PolarHBondContact OG1-O 3.44Å; T1106-T1118 VanDerWaalsContact OG1-O 3.08Å
1107H65Low67.3Low124 Ų12476.7 Ų76.757%0.57444%0.441SS*.EExtended strand (participates in β ladder)trans-80.7125.1169.9-69.1-87.5000109.2G1109H1107-G1109 PolarHBondContact O-N 2.86Å
1108S58Low67.1Low53 Ų5371.9 Ų71.937%0.37142%0.419SS..  trans-77.986.8174.7-91.10000109.8A1110 S1116S1108-A1110 PolarHBondContact O-N 3.22Å; S1108-S1116 VanDerWaalsContact CB-OG 3.22Å; S1108-S1116 WeakPolarHBondContact CB-OG 3.23Å; S1108-S1116 PolarHBondContact N-O 2.91Å
1109G51.9Low67Low84 Ų8465.6 Ų65.687%0.86639%0.39SS*.  trans-69.234.9-177.700000116.2H1107H1107-G1109 PolarHBondContact O-N 2.86Å
1110A54Low66.9Low49 Ų4965.8 Ų65.841%0.40539%0.391SS..  trans-82.5134.5167.300000109.3S1108 D1112 Y1113S1108-A1110 PolarHBondContact O-N 3.22Å; A1110-D1112 PolarHBondContact O-N 2.8Å; A1110-D1112 VanDerWaalsContact O-N 3.08Å; A1110-Y1113 PolarHBondContact O-N 3.28Å
1111A53.4Low66.9Low99 Ų9965.7 Ų65.782%0.81839%0.391SS*.THydrogen-bonded Turntrans-58.5-26.2-17500000113.6
1112D55Low67.1Low124 Ų12461.4 Ų61.466%0.66336%0.364SS*.THydrogen-bonded Turntrans-77.4-16.9-176.3-48.2-68.3000114.3A1110A1110-D1112 PolarHBondContact O-N 2.8Å; A1110-D1112 VanDerWaalsContact O-N 3.08Å
1113Y60.6Low67.3Low117 Ų11755.9 Ų55.946%0.45934%0.337SS..  trans-138.660.3-169.9-56.1-63.3000114.7A1110 H1115 S1116A1110-Y1113 PolarHBondContact O-N 3.28Å; Y1113-H1115 PolarHBondContact O-N 3.38Å; Y1113-S1116 WeakPolarHBondContact CB-OG 3.25Å; Y1113-S1116 WeakPolarHBondContact O-CB 3.23Å; Y1113-S1116 PolarHBondContact O-N 3.37Å; Y1113-S1116 VanDerWaalsContact O-N 3.08Å; Y1113-S1116 PolarHBondContact O-OG 3.15Å
1114P64.7Low66.9Low97 Ų9758.8 Ų58.863%0.6336%0.364SS*.THydrogen-bonded Turntrans-62.9-15.6-17426.2-36.6000115.7
1115H71.8Confident66.2Low69 Ų6954.2 Ų54.232%0.31934%0.342SS..THydrogen-bonded Turntrans-108.923.5178.6-52.1-36.8000112.7C1083 A1084 V1089 Y1113C1083-H1115 HydrophobicContact CB-CB 4.43Å; C1083-H1115 PolarHBondContact N-O 3.16Å; C1083-H1115 VanDerWaalsContact O-CB 3.28Å; C1083-H1115 WeakPolarHBondContact O-CB 3.43Å; A1084-H1115 PolarHBondContact O-CD2 3.46Å; V1089-H1115 HydrophobicContact CG2-CB 4.29Å; Y1113-H1115 PolarHBondContact O-N 3.38Å
1116S73.1Confident65.3Low20 Ų2054.3 Ų54.314%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-96.2126.1174.964.60000112.4L1081 S1108 Y1113L1081-S1116 WeakPolarHBondContact O-CA 3.34Å; S1108-S1116 VanDerWaalsContact CB-OG 3.22Å; S1108-S1116 WeakPolarHBondContact CB-OG 3.23Å; S1108-S1116 PolarHBondContact N-O 2.91Å; Y1113-S1116 WeakPolarHBondContact CB-OG 3.25Å; Y1113-S1116 WeakPolarHBondContact O-CB 3.23Å; Y1113-S1116 PolarHBondContact O-N 3.37Å; Y1113-S1116 VanDerWaalsContact O-N 3.08Å; Y1113-S1116 PolarHBondContact O-OG 3.15Å
1117L79.7Confident64.6Low0 Ų058.9 Ų58.90%036%0.361CS..EExtended strand (participates in β ladder)trans-120.9139.5-178.1-166.173.5000109.5R1080 L1081 V1089 V1092 I1093 V1105 I1119R1080-L1117 WeakPolarHBondContact CA-O 3.24Å; L1081-L1117 HydrophobicContact CB-CB 4.39Å; L1081-L1117 PolarHBondContact N-O 2.72Å; L1081-L1117 PolarHBondContact O-N 2.97Å; V1089-L1117 HydrophobicContact CG1-CD1 4.12Å; V1092-L1117 HydrophobicContact CB-CD2 4.46Å; V1092-L1117 HydrophobicContact CG1-CD2 3.65Å; I1093-L1117 HydrophobicContact CD1-CD1 3.82Å; I1093-L1117 HydrophobicContact CD1-CD2 4.44Å; I1093-L1117 HydrophobicContact CG1-CD1 3.91Å; I1093-L1117 HydrophobicContact CG1-CD2 3.67Å; I1093-L1117 HydrophobicContact CG1-CG 4.44Å; V1105-L1117 HydrophobicContact CG1-CD1 3.57Å; V1105-L1117 HydrophobicContact CG1-CD2 4.5Å; V1105-L1117 HydrophobicContact CG1-CG 4.2Å; L1117-I1119 HydrophobicContact CD2-CD1 3.99Å; L1117-I1119 HydrophobicContact CD2-CG1 3.9Å; L1117-I1119 HydrophobicContact CG-CG1 4.26Å
1118T75.4Confident64.3Low18 Ų1856.1 Ų56.111%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-123.1118170.4-52.30000109.7T1106T1106-T1118 PolarHBondContact N-O 3.18Å; T1106-T1118 PolarHBondContact O-N 3.49Å; T1106-T1118 PolarHBondContact OG1-O 3.44Å; T1106-T1118 VanDerWaalsContact OG1-O 3.08Å
1119I79.6Confident64.6Low0 Ų058.6 Ų58.60%037%0.368CS..EExtended strand (participates in β ladder)trans-105110.9180-56.7169.7000107.9S1078 I1079 L1081 V1092 A1096 T1103 L1117 F1134S1078-I1119 CarbonylContact C-O 3.56Å; S1078-I1119 WeakPolarHBondContact CA-O 3.17Å; I1079-I1119 PolarHBondContact N-O 3.45Å; I1079-I1119 PolarHBondContact O-N 3.44Å; L1081-I1119 HydrophobicContact CD1-CD1 3.64Å; L1081-I1119 HydrophobicContact CD1-CG1 4.48Å; V1092-I1119 HydrophobicContact CG1-CD1 3.9Å; A1096-I1119 HydrophobicContact CB-CD1 3.81Å; A1096-I1119 HydrophobicContact CB-CG2 4.31Å; T1103-I1119 HydrophobicContact CG2-CG2 3.47Å; T1103-I1119 VanDerWaalsContact CG2-CG2 3.47Å; L1117-I1119 HydrophobicContact CD2-CD1 3.99Å; L1117-I1119 HydrophobicContact CD2-CG1 3.9Å; L1117-I1119 HydrophobicContact CG-CG1 4.26Å; I1119-F1134 HydrophobicContact CD1-CE1 3.98Å; I1119-F1134 HydrophobicContact CD1-CZ 3.66Å
1120N74.3Confident65.5Low30 Ų3055.1 Ų55.116%0.1633%0.332CS..EExtended strand (participates in β ladder)trans-90.4121.6172.8-55-28000109.1Y1077 S1078 T1103 Q1104Y1077-N1120 CarbonylContact O-C 3.39Å; Y1077-N1120 WeakPolarHBondContact O-CA 3.24Å; S1078-N1120 WeakPolarHBondContact CB-OD1 3.14Å; T1103-N1120 VanDerWaalsContact CA-O 3.31Å; T1103-N1120 WeakPolarHBondContact CA-O 3.32Å; Q1104-N1120 HydrophobicContact CB-CB 4.22Å; Q1104-N1120 PolarHBondContact N-O 3.39Å; Q1104-N1120 PolarHBondContact O-N 3.14Å
1121A75.8Confident66.3Low1 Ų153 Ų531%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-128.2159.9177.800000110.3N1076 Y1077 L1100 T1103N1076-A1121 CarbonylContact C-O 3.46Å; N1076-A1121 WeakPolarHBondContact CA-O 3.15Å; N1076-A1121 WeakPolarHBondContact CB-O 3.44Å; Y1077-A1121 HydrophobicContact CD1-CB 4.47Å; Y1077-A1121 WeakPolarHBondContact CD1-O 3.44Å; Y1077-A1121 HydrophobicContact CD2-CB 4.4Å; Y1077-A1121 HydrophobicContact CE1-CB 3.9Å; Y1077-A1121 HydrophobicContact CE2-CB 3.84Å; Y1077-A1121 PolarHBondContact N-O 3.34Å; Y1077-A1121 PolarHBondContact O-N 3.18Å; L1100-A1121 HydrophobicContact CD1-CB 4.07Å; T1103-A1121 HydrophobicContact CG2-CB 3.89Å
1122S73.2Confident67.2Low16 Ų1649.8 Ų49.811%0.11229%0.285CS..EExtended strand (participates in β ladder)trans-92.5136.3-172.1-1630000114.3S1075 N1076 A1124 E1125S1075-S1122 CarbonylContact O-C 3.57Å; S1075-S1122 WeakPolarHBondContact O-CA 3.32Å; S1075-S1122 PolarHBondContact O-OG 2.95Å; N1076-S1122 WeakPolarHBondContact OD1-CA 3.42Å; N1076-S1122 PolarHBondContact OD1-OG 3.38Å; S1122-A1124 PolarHBondContact O-N 2.9Å; S1122-A1124 VanDerWaalsContact OG-CB 3.32Å; S1122-A1124 WeakPolarHBondContact OG-CB 3.36Å; S1122-A1124 PolarHBondContact OG-N 2.93Å; S1122-E1125 PolarHBondContact O-N 3.09Å
1123Y68.9Low68.3Low16 Ų1648.6 Ų48.66%0.06328%0.275CS..G310 helixtrans-64.9-10.4161.2-81.6-94.3000112.3T1074 S1075 N1076 Y1077 H1126 T1154 F1934 L1936T1074-Y1123 WeakPolarHBondContact O-CB 3.48Å; S1075-Y1123 WeakPolarHBondContact O-CB 3.44Å; S1075-Y1123 PolarHBondContact O-N 3.28Å; N1076-Y1123 VanDerWaalsContact C-CD2 3.42Å; N1076-Y1123 WeakPolarHBondContact O-CE2 3.45Å; Y1077-Y1123 AromaticContact CD1-CD2 3.93Å; Y1077-Y1123 HydrophobicContact CD1-CD2 3.93Å; Y1077-Y1123 HydrophobicContact CD1-CE2 4.03Å; Y1077-Y1123 HydrophobicContact CD1-CG 4.38Å; Y1077-Y1123 HydrophobicContact CG-CE2 4.27Å; Y1123-H1126 AromaticContact CD1-CD2 3.77Å; Y1123-H1126 AromaticContact CD1-CE1 3.72Å; Y1123-H1126 AromaticContact CD1-NE2 3.02Å; Y1123-H1126 WeakPolarHBondContact CD1-NE2 3.17Å; Y1123-H1126 AromaticContact CE1-NE2 3.59Å; Y1123-H1126 AromaticContact CG-NE2 3.75Å; Y1123-H1126 VanDerWaalsContact O-CB 3.31Å; Y1123-H1126 WeakPolarHBondContact O-CB 3.47Å; Y1123-T1154 HydrophobicContact CE2-CG2 4.38Å; Y1123-F1934 WeakPolarHBondContact CE1-O 3.36Å; Y1123-L1936 PolarHBondContact OH-N 3.03Å
1124A59.6Low69.4Low86 Ų8643.1 Ų43.171%0.71125%0.254SS*.G310 helixtrans-78.8-23.2176.100000113.8S1122 H1126S1122-A1124 PolarHBondContact O-N 2.9Å; S1122-A1124 VanDerWaalsContact OG-CB 3.32Å; S1122-A1124 WeakPolarHBondContact OG-CB 3.36Å; S1122-A1124 PolarHBondContact OG-N 2.93Å; A1124-H1126 PolarHBondContact O-N 3.04Å
1125E57.5Low70Confident33 Ų3338.7 Ų38.715%0.15423%0.225CC..G310 helixtrans-86.619.6-178.1-61.2-175.7121.900113Q1102 S1122 L1127 T1128Q1102-E1125 WeakPolarHBondContact CG-OE1 3.28Å; Q1102-E1125 PolarHBondContact NE2-OE1 3.34Å; S1122-E1125 PolarHBondContact O-N 3.09Å; E1125-L1127 VanDerWaalsContact C-N 3.28Å; E1125-L1127 PolarHBondContact O-N 2.73Å; E1125-T1128 PolarHBondContact O-N 2.43Å; E1125-T1128 PolarHBondContact O-OG1 3.37Å
1126H51.8Low70.3Confident40 Ų4040.3 Ų40.319%0.18523%0.233CC..THydrogen-bonded Turntrans-74.615.3-158.2-10019.2000118.6Y1077 Y1123 A1124 F1921 F1934Y1077-H1126 AromaticContact CE1-CE1 3.83Å; Y1123-H1126 AromaticContact CD1-CD2 3.77Å; Y1123-H1126 AromaticContact CD1-CE1 3.72Å; Y1123-H1126 AromaticContact CD1-NE2 3.02Å; Y1123-H1126 WeakPolarHBondContact CD1-NE2 3.17Å; Y1123-H1126 AromaticContact CE1-NE2 3.59Å; Y1123-H1126 AromaticContact CG-NE2 3.75Å; Y1123-H1126 VanDerWaalsContact O-CB 3.31Å; Y1123-H1126 WeakPolarHBondContact O-CB 3.47Å; A1124-H1126 PolarHBondContact O-N 3.04Å; H1126-F1921 AromaticContact CE1-CZ 3.61Å; H1126-F1921 AromaticContact NE2-CZ 3.87Å; H1126-F1934 AromaticContact NE2-CZ 3.96Å
1127L53.3Low70.7Confident160 Ų16040.8 Ų40.884%0.83823%0.234SC*.THydrogen-bonded Turntrans-11815.4168.6-71.686.2000112.4E1125E1125-L1127 VanDerWaalsContact C-N 3.28Å; E1125-L1127 PolarHBondContact O-N 2.73Å
1128T58.3Low70.7Confident67 Ų6740.9 Ų40.941%0.41123%0.234SC..  trans-89126.517751.90000111.6E1125 G1130 A1131E1125-T1128 PolarHBondContact O-N 2.43Å; E1125-T1128 PolarHBondContact O-OG1 3.37Å; T1128-G1130 PolarHBondContact O-N 3.36Å; T1128-A1131 PolarHBondContact O-N 3.16Å
1129P65.3Low70.9Confident105 Ų10541.5 Ų41.568%0.68224%0.236SC*.Hα-helixtrans-65.1-25.717526-33.5000112.3A1131 V1132 E1133P1129-A1131 PolarHBondContact O-N 3.46Å; P1129-A1131 VanDerWaalsContact O-N 3.13Å; P1129-V1132 WeakPolarHBondContact O-CA 3.4Å; P1129-V1132 PolarHBondContact O-N 3.09Å; P1129-E1133 PolarHBondContact O-N 3.48Å
1130G71.1Confident70.9Confident10 Ų1044 Ų4410%0.10325%0.253CS..Hα-helixtrans-56.8-25.7176.900000114.6T1128 F1134T1128-G1130 PolarHBondContact O-N 3.36Å; G1130-F1134 WeakPolarHBondContact O-CB 3.38Å; G1130-F1134 PolarHBondContact O-N 3.08Å
1131A70Confident71.1Confident5 Ų544.6 Ų44.64%0.04126%0.255CS..Hα-helixtrans-72.1-35.3173.100000112.8L1100 T1128 P1129 L1135L1100-A1131 HydrophobicContact CD2-CB 3.97Å; T1128-A1131 PolarHBondContact O-N 3.16Å; P1129-A1131 PolarHBondContact O-N 3.46Å; P1129-A1131 VanDerWaalsContact O-N 3.13Å; A1131-L1135 WeakPolarHBondContact O-CG 3.27Å; A1131-L1135 PolarHBondContact O-N 3.38Å
1132V72.2Confident71.2Confident32 Ų3246.4 Ų46.419%0.19427%0.266CS..Hα-helixtrans-74.3-46.1174.1-174.50000109.6P1129 F1134 L1135 E1136 F1921P1129-V1132 WeakPolarHBondContact O-CA 3.4Å; P1129-V1132 PolarHBondContact O-N 3.09Å; V1132-F1134 VanDerWaalsContact C-N 3.28Å; V1132-F1134 PolarHBondContact O-N 3.26Å; V1132-L1135 PolarHBondContact O-N 3.01Å; V1132-E1136 HydrophobicContact CG1-CG 4.49Å; V1132-E1136 WeakPolarHBondContact O-CG 3.27Å; V1132-E1136 PolarHBondContact O-N 3.17Å; V1132-F1921 HydrophobicContact CG2-CD1 4.37Å
1133E78.9Confident71.3Confident99 Ų9950.1 Ų50.146%0.46329%0.288SS..Hα-helixtrans-55.8-41.1174.7-171.1-173.1163.600111.8L1099 P1129 E1136 L1137L1099-E1133 HydrophobicContact CD1-CG 4.44Å; L1099-E1133 HydrophobicContact CD2-CG 4.46Å; P1129-E1133 PolarHBondContact O-N 3.48Å; E1133-E1136 PolarHBondContact O-N 2.93Å; E1133-L1137 VanDerWaalsContact O-CB 3.24Å; E1133-L1137 WeakPolarHBondContact O-CB 3.3Å; E1133-L1137 PolarHBondContact O-N 2.88Å
1134F82.2Confident71.7Confident1 Ų152.6 Ų52.60%0.00431%0.312CS..Hα-helixtrans-67.8-37.8175.5-174-116.5000112.6I1079 K1095 A1096 L1099 L1100 I1119 G1130 V1132 L1137 L1138I1079-F1134 HydrophobicContact CD1-CD1 4.08Å; I1079-F1134 HydrophobicContact CD1-CE1 3.9Å; K1095-F1134 HydrophobicContact CB-CE2 4.32Å; A1096-F1134 HydrophobicContact CB-CE1 4.33Å; A1096-F1134 HydrophobicContact CB-CE2 3.88Å; A1096-F1134 HydrophobicContact CB-CZ 3.63Å; L1099-F1134 HydrophobicContact CB-CB 4.23Å; L1099-F1134 HydrophobicContact CD1-CB 3.98Å; L1099-F1134 HydrophobicContact CD1-CD2 4.03Å; L1099-F1134 HydrophobicContact CD1-CG 4.49Å; L1100-F1134 HydrophobicContact CD1-CB 4.45Å; L1100-F1134 HydrophobicContact CD1-CD1 3.56Å; L1100-F1134 HydrophobicContact CD1-CE1 4.06Å; L1100-F1134 HydrophobicContact CD1-CG 4.13Å; I1119-F1134 HydrophobicContact CD1-CE1 3.98Å; I1119-F1134 HydrophobicContact CD1-CZ 3.66Å; G1130-F1134 WeakPolarHBondContact O-CB 3.38Å; G1130-F1134 PolarHBondContact O-N 3.08Å; V1132-F1134 VanDerWaalsContact C-N 3.28Å; V1132-F1134 PolarHBondContact O-N 3.26Å; F1134-L1137 HydrophobicContact CD2-CD2 4.36Å; F1134-L1137 HydrophobicContact CE2-CD2 4.41Å; F1134-L1137 PolarHBondContact O-N 3.42Å; F1134-L1138 HydrophobicContact CD1-CD1 3.88Å; F1134-L1138 HydrophobicContact CD1-CG 4.43Å; F1134-L1138 HydrophobicContact CE1-CD1 3.48Å; F1134-L1138 VanDerWaalsContact CE1-CD1 3.48Å; F1134-L1138 HydrophobicContact CE1-CG 4.08Å; F1134-L1138 HydrophobicContact CE2-CD2 4.39Å; F1134-L1138 HydrophobicContact CE2-CG 4.24Å; F1134-L1138 HydrophobicContact CZ-CD1 3.82Å; F1134-L1138 HydrophobicContact CZ-CD2 4.05Å; F1134-L1138 HydrophobicContact CZ-CG 3.96Å; F1134-L1138 WeakPolarHBondContact O-CB 3.36Å; F1134-L1138 VanDerWaalsContact O-CG 3.28Å; F1134-L1138 WeakPolarHBondContact O-CG 3.27Å; F1134-L1138 PolarHBondContact O-N 3.25Å
1135L77.3Confident72.4Confident4 Ų450.9 Ų50.92%0.02130%0.303CS..Hα-helixtrans-68-39.1175.1-73.7170.6000112.1I1079 A1131 V1132 L1138 Q1139 L1152 F1921I1079-L1135 HydrophobicContact CD1-CD2 3.94Å; A1131-L1135 WeakPolarHBondContact O-CG 3.27Å; A1131-L1135 PolarHBondContact O-N 3.38Å; V1132-L1135 PolarHBondContact O-N 3.01Å; L1135-L1138 PolarHBondContact O-N 3.5Å; L1135-Q1139 WeakPolarHBondContact O-CG 3.25Å; L1135-Q1139 PolarHBondContact O-N 3.35Å; L1135-L1152 HydrophobicContact CD2-CD1 4.1Å; L1135-F1921 HydrophobicContact CD1-CB 4.21Å; L1135-F1921 HydrophobicContact CD1-CD1 4.43Å; L1135-F1921 HydrophobicContact CD1-CD2 3.78Å; L1135-F1921 HydrophobicContact CD1-CE2 4.25Å; L1135-F1921 HydrophobicContact CD1-CG 3.89Å
1136E79.1Confident73.3Confident104 Ų10451 Ų5149%0.48631%0.307SS..Hα-helixtrans-66-42.3173.3-70.8176.2179.600111.6V1132 E1133 L1138 Q1139 S1140V1132-E1136 HydrophobicContact CG1-CG 4.49Å; V1132-E1136 WeakPolarHBondContact O-CG 3.27Å; V1132-E1136 PolarHBondContact O-N 3.17Å; E1133-E1136 PolarHBondContact O-N 2.93Å; E1136-L1138 PolarHBondContact O-N 2.76Å; E1136-Q1139 WeakPolarHBondContact O-CB 3.46Å; E1136-Q1139 PolarHBondContact O-N 2.95Å; E1136-S1140 PolarHBondContact O-N 2.79Å
1137L81.4Confident74.3Confident30 Ų3049.2 Ų49.216%0.15730%0.299CS..Hα-helixtrans-61.2-44.1173.5-178.4140.7000111.6F1091 K1095 E1133 F1134 S1140 Q1141F1091-L1137 HydrophobicContact CE1-CD2 4.23Å; K1095-L1137 HydrophobicContact CB-CD2 4.11Å; K1095-L1137 HydrophobicContact CD-CD1 3.83Å; K1095-L1137 HydrophobicContact CG-CD1 4.03Å; K1095-L1137 HydrophobicContact CG-CD2 4.28Å; E1133-L1137 VanDerWaalsContact O-CB 3.24Å; E1133-L1137 WeakPolarHBondContact O-CB 3.3Å; E1133-L1137 PolarHBondContact O-N 2.88Å; F1134-L1137 HydrophobicContact CD2-CD2 4.36Å; F1134-L1137 HydrophobicContact CE2-CD2 4.41Å; F1134-L1137 PolarHBondContact O-N 3.42Å; L1137-S1140 PolarHBondContact O-N 3.34Å; L1137-S1140 PolarHBondContact O-OG 3.24Å; L1137-Q1141 WeakPolarHBondContact O-CG 3.32Å; L1137-Q1141 PolarHBondContact O-N 3.3Å; L1137-Q1141 VanDerWaalsContact O-N 3.12Å
1138L80.3Confident75.2Confident1 Ų145.3 Ų45.31%0.00528%0.284CS..Hα-helixtrans-62-42.4173.5-74.4174.2000112I1079 L1081 V1092 F1134 L1135 E1136 S1140 Q1141 V1142 I1147I1079-L1138 HydrophobicContact CD1-CD1 3.99Å; I1079-L1138 HydrophobicContact CG2-CD1 3.97Å; L1081-L1138 HydrophobicContact CD1-CD1 4.3Å; L1081-L1138 HydrophobicContact CD1-CD2 3.58Å; L1081-L1138 HydrophobicContact CD2-CD1 4.12Å; L1081-L1138 HydrophobicContact CD2-CD2 3.91Å; L1081-L1138 HydrophobicContact CG-CD2 4.44Å; V1092-L1138 HydrophobicContact CG1-CD2 4.27Å; V1092-L1138 HydrophobicContact CG2-CD2 4.31Å; F1134-L1138 HydrophobicContact CD1-CD1 3.88Å; F1134-L1138 HydrophobicContact CD1-CG 4.43Å; F1134-L1138 HydrophobicContact CE1-CD1 3.48Å; F1134-L1138 VanDerWaalsContact CE1-CD1 3.48Å; F1134-L1138 HydrophobicContact CE1-CG 4.08Å; F1134-L1138 HydrophobicContact CE2-CD2 4.39Å; F1134-L1138 HydrophobicContact CE2-CG 4.24Å; F1134-L1138 HydrophobicContact CZ-CD1 3.82Å; F1134-L1138 HydrophobicContact CZ-CD2 4.05Å; F1134-L1138 HydrophobicContact CZ-CG 3.96Å; F1134-L1138 WeakPolarHBondContact O-CB 3.36Å; F1134-L1138 VanDerWaalsContact O-CG 3.28Å; F1134-L1138 WeakPolarHBondContact O-CG 3.27Å; F1134-L1138 PolarHBondContact O-N 3.25Å; L1135-L1138 PolarHBondContact O-N 3.5Å; E1136-L1138 PolarHBondContact O-N 2.76Å; L1138-S1140 VanDerWaalsContact C-N 3.33Å; L1138-S1140 PolarHBondContact O-N 3.24Å; L1138-Q1141 PolarHBondContact O-N 3.36Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.4Å; L1138-V1142 PolarHBondContact O-N 3.02Å; L1138-I1147 HydrophobicContact CD2-CD1 3.67Å
1139Q77.9Confident75.8Confident32 Ų3245.3 Ų45.315%0.1528%0.282CS..Hα-helixtrans-61.4-40.1174.4-76.4179.8-3100112.3L1135 E1136 Q1141 V1142 T1143 L1917 S1918L1135-Q1139 WeakPolarHBondContact O-CG 3.25Å; L1135-Q1139 PolarHBondContact O-N 3.35Å; E1136-Q1139 WeakPolarHBondContact O-CB 3.46Å; E1136-Q1139 PolarHBondContact O-N 2.95Å; Q1139-Q1141 VanDerWaalsContact C-N 3.25Å; Q1139-Q1141 PolarHBondContact O-N 3.21Å; Q1139-V1142 WeakPolarHBondContact O-CB 3.39Å; Q1139-V1142 PolarHBondContact O-N 3.13Å; Q1139-V1142 VanDerWaalsContact O-N 3.12Å; Q1139-T1143 PolarHBondContact O-N 2.9Å; Q1139-T1143 PolarHBondContact O-OG1 2.84Å; Q1139-L1917 VanDerWaalsContact NE2-N 3.12Å; Q1139-S1918 PolarHBondContact OE1-OG 3.19Å
1140S80.4Confident76.3Confident52 Ų5241.3 Ų41.336%0.36426%0.256SS..Hα-helixtrans-60-37.1175.182.20000112.1E1136 L1137 L1138 T1143 A1144E1136-S1140 PolarHBondContact O-N 2.79Å; L1137-S1140 PolarHBondContact O-N 3.34Å; L1137-S1140 PolarHBondContact O-OG 3.24Å; L1138-S1140 VanDerWaalsContact C-N 3.33Å; L1138-S1140 PolarHBondContact O-N 3.24Å; S1140-T1143 VanDerWaalsContact C-OG1 3.31Å; S1140-T1143 VanDerWaalsContact CA-OG1 3.3Å; S1140-T1143 WeakPolarHBondContact CA-OG1 3.33Å; S1140-T1143 PolarHBondContact O-N 2.78Å; S1140-T1143 PolarHBondContact O-OG1 3.36Å; S1140-A1144 WeakPolarHBondContact O-CB 3.31Å; S1140-A1144 PolarHBondContact O-N 3.2Å
1141Q79.6Confident76.3Confident42 Ų4242.3 Ų42.320%0.19626%0.258CS..Hα-helixtrans-76.1-23.4177.1-66.5-56.5-4900113.2F1091 L1137 L1138 Q1139 G1145 S1146 I1147F1091-Q1141 HydrophobicContact CE1-CG 4.11Å; L1137-Q1141 WeakPolarHBondContact O-CG 3.32Å; L1137-Q1141 PolarHBondContact O-N 3.3Å; L1137-Q1141 VanDerWaalsContact O-N 3.12Å; L1138-Q1141 PolarHBondContact O-N 3.36Å; Q1139-Q1141 VanDerWaalsContact C-N 3.25Å; Q1139-Q1141 PolarHBondContact O-N 3.21Å; Q1141-G1145 PolarHBondContact O-N 3.03Å; Q1141-S1146 WeakPolarHBondContact O-CB 3.42Å; Q1141-S1146 PolarHBondContact O-N 3.06Å; Q1141-S1146 VanDerWaalsContact OE1-CB 3.24Å; Q1141-S1146 PolarHBondContact OE1-OG 3.24Å; Q1141-I1147 HydrophobicContact CB-CD1 3.62Å; Q1141-I1147 HydrophobicContact CB-CG1 3.91Å; Q1141-I1147 PolarHBondContact O-N 3.04Å
1142V76.6Confident76.5Confident39 Ų3942.1 Ų42.124%0.23626%0.256CS..Hα-helixtrans-72.4-44.5166.2178.40000110.8L1138 Q1139 A1144 G1145 I1147 V1150 P1908L1138-V1142 WeakPolarHBondContact O-CG2 3.4Å; L1138-V1142 PolarHBondContact O-N 3.02Å; Q1139-V1142 WeakPolarHBondContact O-CB 3.39Å; Q1139-V1142 PolarHBondContact O-N 3.13Å; Q1139-V1142 VanDerWaalsContact O-N 3.12Å; V1142-A1144 PolarHBondContact O-N 3.48Å; V1142-G1145 PolarHBondContact O-N 2.84Å; V1142-I1147 HydrophobicContact CG2-CB 4.02Å; V1142-I1147 HydrophobicContact CG2-CG2 4.14Å; V1142-V1150 HydrophobicContact CG2-CB 4.43Å; V1142-V1150 HydrophobicContact CG2-CG2 3.31Å; V1142-P1908 HydrophobicContact CB-CG 4.23Å; V1142-P1908 HydrophobicContact CG1-CG 3.62Å
1143T75.7Confident76.3Confident94 Ų9442 Ų4258%0.57726%0.256SS*.Hα-helixtrans-62.4-28.7174.242.30000113.2Q1139 S1140 G1145 P1908Q1139-T1143 PolarHBondContact O-N 2.9Å; Q1139-T1143 PolarHBondContact O-OG1 2.84Å; S1140-T1143 VanDerWaalsContact C-OG1 3.31Å; S1140-T1143 VanDerWaalsContact CA-OG1 3.3Å; S1140-T1143 WeakPolarHBondContact CA-OG1 3.33Å; S1140-T1143 PolarHBondContact O-N 2.78Å; S1140-T1143 PolarHBondContact O-OG1 3.36Å; T1143-G1145 VanDerWaalsContact C-N 3.33Å; T1143-P1908 HydrophobicContact CG2-CB 3.5Å
1144A78.1Confident75.7Confident69 Ų6938.8 Ų38.857%0.5724%0.242SC*.THydrogen-bonded Turntrans-81-7.2175.500000114.1S1140 V1142 S1146S1140-A1144 WeakPolarHBondContact O-CB 3.31Å; S1140-A1144 PolarHBondContact O-N 3.2Å; V1142-A1144 PolarHBondContact O-N 3.48Å; A1144-S1146 PolarHBondContact O-N 3.41Å
1145G73.5Confident74.6Confident50 Ų5039.9 Ų39.952%0.51525%0.251SS..THydrogen-bonded Turntrans79.8-7.9-176.100000115.5Q1141 V1142 T1143 I1147Q1141-G1145 PolarHBondContact O-N 3.03Å; V1142-G1145 PolarHBondContact O-N 2.84Å; T1143-G1145 VanDerWaalsContact C-N 3.33Å; G1145-I1147 PolarHBondContact O-N 3.13Å
1146S76.7Confident73.7Confident35 Ų3540.5 Ų40.525%0.24526%0.255CS..SBendtrans-59.2-26177.6-44.40000113.7C1083 A1084 Q1141 A1144C1083-S1146 WeakPolarHBondContact CA-O 3.26Å; A1084-S1146 PolarHBondContact N-O 3.19Å; Q1141-S1146 WeakPolarHBondContact O-CB 3.42Å; Q1141-S1146 PolarHBondContact O-N 3.06Å; Q1141-S1146 VanDerWaalsContact OE1-CB 3.24Å; Q1141-S1146 PolarHBondContact OE1-OG 3.24Å; A1144-S1146 PolarHBondContact O-N 3.41Å
1147I73Confident73Confident3 Ų336.4 Ų36.42%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-129.4121.7179.9-56.1177.9000109L1081 R1082 V1092 L1138 Q1141 V1142 G1145 D1149 V1150L1081-I1147 HydrophobicContact CD2-CG2 4.37Å; R1082-I1147 CarbonylContact O-C 3.56Å; R1082-I1147 WeakPolarHBondContact O-CA 3.26Å; R1082-I1147 WeakPolarHBondContact O-CG2 3.26Å; V1092-I1147 HydrophobicContact CG2-CD1 3.87Å; L1138-I1147 HydrophobicContact CD2-CD1 3.67Å; Q1141-I1147 HydrophobicContact CB-CD1 3.62Å; Q1141-I1147 HydrophobicContact CB-CG1 3.91Å; Q1141-I1147 PolarHBondContact O-N 3.04Å; V1142-I1147 HydrophobicContact CG2-CB 4.02Å; V1142-I1147 HydrophobicContact CG2-CG2 4.14Å; G1145-I1147 PolarHBondContact O-N 3.13Å; I1147-D1149 WeakPolarHBondContact CG2-O 3.33Å; I1147-V1150 HydrophobicContact CG2-CG2 3.7Å
1148S71.8Confident72.6Confident77 Ų7735.3 Ų35.354%0.53823%0.232SC..EExtended strand (participates in β ladder)trans-85.7-26.5-173.972.10000114.4R1082R1082-S1148 WeakPolarHBondContact CD-OG 3.34Å; R1082-S1148 WeakPolarHBondContact CG-OG 3.48Å; R1082-S1148 PolarHBondContact O-N 2.89Å; R1082-S1148 PolarHBondContact O-OG 3.21Å
1149D70.4Confident72Confident67 Ų6738 Ų3836%0.35825%0.245SC..EExtended strand (participates in β ladder)trans-152.6147.5171.3-165.320.8000110.3R1082 I1147 R1938R1082-D1149 PolarHBondContact N-O 2.96Å; I1147-D1149 WeakPolarHBondContact CG2-O 3.33Å; D1149-R1938 IonicContact OD1-CZ 2.69Å; D1149-R1938 IonicContact OD1-NH1 3.56Å; D1149-R1938 PolarHBondContact OD1-NH1 3.27Å; D1149-R1938 IonicContact OD1-NH2 3.15Å; D1149-R1938 PolarHBondContact OD1-NH2 3.28Å; D1149-R1938 IonicContact OD2-CZ 2.68Å; D1149-R1938 IonicContact OD2-NH1 3.31Å; D1149-R1938 PolarHBondContact OD2-NH1 3.41Å; D1149-R1938 IonicContact OD2-NH2 3.41Å; D1149-R1938 PolarHBondContact OD2-NH2 3.08Å
1150V75.8Confident71.7Confident22 Ų2240 Ų4013%0.13325%0.254CS..EExtended strand (participates in β ladder)trans-129.1110.4178.4176.80000107.7I1079 L1081 V1142 I1147I1079-V1150 HydrophobicContact CG2-CG1 4.1Å; L1081-V1150 HydrophobicContact CD2-CB 4.09Å; L1081-V1150 HydrophobicContact CD2-CG1 3.82Å; L1081-V1150 HydrophobicContact CD2-CG2 3.67Å; V1142-V1150 HydrophobicContact CG2-CB 4.43Å; V1142-V1150 HydrophobicContact CG2-CG2 3.31Å; I1147-V1150 HydrophobicContact CG2-CG2 3.7Å
1151E71.3Confident71.3Confident30 Ų3039.1 Ų39.114%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-116.6102.5-176.8-166.6-178.4-137.400110.6R1080 T1153 R1938R1080-E1151 HydrophobicContact CB-CB 4.29Å; R1080-E1151 IonicContact CZ-OE2 2.7Å; R1080-E1151 PolarHBondContact N-O 3.38Å; R1080-E1151 IonicContact NE-OE2 4Å; R1080-E1151 IonicContact NH1-OE2 3.15Å; R1080-E1151 PolarHBondContact NH1-OE2 2.96Å; R1080-E1151 PolarHBondContact O-N 3Å; E1151-T1153 HydrophobicContact CG-CG2 3.82Å; E1151-T1153 PolarHBondContact O-N 3.09Å; E1151-R1938 IonicContact OE1-NH1 3.69Å
1152L75.1Confident71.1Confident1 Ų137.3 Ų37.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-80116.9172.1-162.3158000109.4Y1077 I1079 L1135 L1917 L1936Y1077-L1152 HydrophobicContact CD2-CD1 4.48Å; Y1077-L1152 HydrophobicContact CD2-CG 4.42Å; I1079-L1152 HydrophobicContact CG1-CG 4.49Å; L1135-L1152 HydrophobicContact CD2-CD1 4.1Å; L1152-L1917 HydrophobicContact CB-CD2 4.46Å; L1152-L1936 HydrophobicContact CD2-CB 4.02Å
1153T67.2Low70.8Confident31 Ų3137.8 Ų37.819%0.1924%0.235CC..EExtended strand (participates in β ladder)trans-125.4159.7-179.355.40000110.3Y1077 S1078 E1151Y1077-T1153 CarbonylContact C-O 3.52Å; Y1077-T1153 WeakPolarHBondContact CA-O 3.22Å; Y1077-T1153 WeakPolarHBondContact CB-O 3.33Å; S1078-T1153 WeakPolarHBondContact CB-OG1 3.4Å; S1078-T1153 PolarHBondContact N-O 2.99Å; S1078-T1153 PolarHBondContact O-N 3Å; S1078-T1153 PolarHBondContact O-OG1 3.44Å; S1078-T1153 PolarHBondContact OG-O 3.28Å; S1078-T1153 PolarHBondContact OG-OG1 3.1Å; E1151-T1153 HydrophobicContact CG-CG2 3.82Å; E1151-T1153 PolarHBondContact O-N 3.09Å
1154T66.3Low70.7Confident30 Ų3038.6 Ų38.618%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-84.3122.5169.551.10000109Y1123 S1156Y1123-T1154 HydrophobicContact CE2-CG2 4.38Å; T1154-S1156 PolarHBondContact O-N 3.13Å
1155S58.6Low70.5Confident25 Ų2537.4 Ų37.418%0.17522%0.216CC..SBendtrans-83.911.2-169.382.20000114.6N1076 S1078 Q1160N1076-S1155 WeakPolarHBondContact CB-OG 3.5Å; N1076-S1155 PolarHBondContact O-N 3.4Å; S1078-S1155 VanDerWaalsContact CB-CB 3.44Å; S1078-S1155 VanDerWaalsContact OG-CA 3.24Å; S1078-S1155 WeakPolarHBondContact OG-CA 3.45Å; S1078-S1155 VanDerWaalsContact OG-CB 3.22Å; S1078-S1155 WeakPolarHBondContact OG-CB 3.49Å; S1078-S1155 PolarHBondContact OG-N 3.43Å; S1155-Q1160 PolarHBondContact O-OE1 2.88Å
1156S59Low70.3Confident17 Ų1735.3 Ų35.312%0.11919%0.194CC..  trans-145.270.4-176.344.20000109L1072 S1075 T1154L1072-S1156 WeakPolarHBondContact O-CB 3.34Å; L1072-S1156 PolarHBondContact O-OG 3.22Å; S1075-S1156 PolarHBondContact OG-OG 3.47Å; T1154-S1156 PolarHBondContact O-N 3.13Å
1157S65.3Low69.9Low18 Ų1839.5 Ų39.513%0.12620%0.204CC..  trans-71.2153.1164.889.70000110E1159 Q1160 E1161S1157-E1159 WeakPolarHBondContact CB-OE2 3.49Å; S1157-E1159 PolarHBondContact O-N 3.27Å; S1157-E1159 WeakPolarHBondContact OG-CB 3.39Å; S1157-E1159 PolarHBondContact OG-N 3.18Å; S1157-E1159 PolarHBondContact OG-OE2 2.99Å; S1157-Q1160 PolarHBondContact O-N 3.31Å; S1157-Q1160 VanDerWaalsContact O-N 3.13Å; S1157-Q1160 PolarHBondContact OG-N 3.01Å; S1157-E1161 PolarHBondContact O-N 3.4Å
1158L72.6Confident69.2Low7 Ų745.9 Ų45.94%0.03724%0.238CC..Hα-helixtrans-60.5-27.1174.1-169.169.2000111.1M1042 A1045 L1052 L1069 L1072 F1162M1042-L1158 HydrophobicContact CE-CB 3.99Å; M1042-L1158 HydrophobicContact CE-CD2 3.97Å; M1042-L1158 HydrophobicContact CE-CG 3.63Å; M1042-L1158 WeakPolarHBondContact CE-O 3.45Å; A1045-L1158 HydrophobicContact CB-CD2 4.09Å; L1052-L1158 HydrophobicContact CD2-CD1 3.7Å; L1052-L1158 HydrophobicContact CD2-CD2 3.87Å; L1052-L1158 HydrophobicContact CD2-CG 4.31Å; L1069-L1158 HydrophobicContact CD2-CD1 3.96Å; L1072-L1158 HydrophobicContact CD2-CD1 4.29Å; L1158-F1162 VanDerWaalsContact O-CB 3.32Å; L1158-F1162 WeakPolarHBondContact O-CB 3.21Å; L1158-F1162 PolarHBondContact O-N 2.99Å
1159E68Low68.4Low57 Ų5744.4 Ų44.427%0.26624%0.235SC..Hα-helixtrans-63.7-45.9175.9-52.8125.9166.400110.4M1042 S1157 F1162 E1163 R1940M1042-E1159 HydrophobicContact CB-CG 3.99Å; M1042-E1159 HydrophobicContact CE-CB 4.49Å; M1042-E1159 HydrophobicContact CE-CG 4.33Å; M1042-E1159 HydrophobicContact CG-CG 4.24Å; M1042-E1159 HydrophobicContact SD-CB 3.98Å; M1042-E1159 HydrophobicContact SD-CG 3.66Å; S1157-E1159 WeakPolarHBondContact CB-OE2 3.49Å; S1157-E1159 PolarHBondContact O-N 3.27Å; S1157-E1159 WeakPolarHBondContact OG-CB 3.39Å; S1157-E1159 PolarHBondContact OG-N 3.18Å; S1157-E1159 PolarHBondContact OG-OE2 2.99Å; E1159-F1162 PolarHBondContact O-N 3.17Å; E1159-E1163 WeakPolarHBondContact O-CG 3.38Å; E1159-E1163 PolarHBondContact O-N 2.6Å; E1159-R1940 IonicContact OE1-NH2 3.96Å; E1159-R1940 PolarHBondContact OE1-NH2 3.18Å; E1159-R1940 VanDerWaalsContact OE1-NH2 3.13Å; E1159-R1940 IonicContact OE2-NH2 2.7Å
1160Q70.2Confident67.4Low75 Ų7546.3 Ų46.335%0.3524%0.242SC..Hα-helixtrans-65.4-40.4178.3-67.6168.7-37.600112.7S1155 S1157 E1163 Q1164S1155-Q1160 PolarHBondContact O-OE1 2.88Å; S1157-Q1160 PolarHBondContact O-N 3.31Å; S1157-Q1160 VanDerWaalsContact O-N 3.13Å; S1157-Q1160 PolarHBondContact OG-N 3.01Å; Q1160-E1163 PolarHBondContact O-N 3.44Å; Q1160-Q1164 WeakPolarHBondContact O-CB 3.43Å; Q1160-Q1164 VanDerWaalsContact O-CG 3.22Å; Q1160-Q1164 WeakPolarHBondContact O-CG 3.42Å; Q1160-Q1164 PolarHBondContact O-N 3.33Å
1161E72.8Confident65.9Low33 Ų3353.2 Ų53.215%0.15428%0.278CS..Hα-helixtrans-61.7-46.8172.7175.4172.5-127.600110.9H1064 L1072 S1157 E1163 Q1164 L1165H1064-E1161 IonicContact CE1-OE1 3.66Å; H1064-E1161 PolarHBondContact CE1-OE1 3.33Å; H1064-E1161 IonicContact CE1-OE2 3.74Å; H1064-E1161 IonicContact ND1-OE1 3.87Å; H1064-E1161 IonicContact ND1-OE2 2.96Å; H1064-E1161 IonicContact NE2-OE1 3.3Å; H1064-E1161 IonicContact NE2-OE2 2.75Å; L1072-E1161 VanDerWaalsContact CD1-CD 3.48Å; L1072-E1161 HydrophobicContact CD1-CG 4.48Å; L1072-E1161 WeakPolarHBondContact CD1-OE1 3.24Å; L1072-E1161 HydrophobicContact CD2-CB 4.21Å; L1072-E1161 VanDerWaalsContact CD2-OE2 3.31Å; L1072-E1161 WeakPolarHBondContact CD2-OE2 3.43Å; S1157-E1161 PolarHBondContact O-N 3.4Å; E1161-E1163 VanDerWaalsContact C-N 3.35Å; E1161-E1163 PolarHBondContact O-N 2.78Å; E1161-Q1164 PolarHBondContact O-N 2.85Å; E1161-L1165 HydrophobicContact CG-CD1 3.83Å; E1161-L1165 HydrophobicContact CG-CG 4.25Å; E1161-L1165 WeakPolarHBondContact O-CB 3.47Å; E1161-L1165 VanDerWaalsContact O-CG 3.32Å; E1161-L1165 WeakPolarHBondContact O-CG 3.41Å; E1161-L1165 PolarHBondContact O-N 3.03Å
1162F74.5Confident64.2Low3 Ų356.9 Ų56.91%0.01331%0.314CS..Hα-helixtrans-64-37.8178.4-177.5-104.8000112.5L889 R891 M1042 I1054 L1158 E1159 N1166 V1803L889-F1162 HydrophobicContact CD2-CD2 3.82Å; L889-F1162 HydrophobicContact CD2-CE2 4.26Å; L889-F1162 HydrophobicContact CD2-CG 4.35Å; L889-F1162 HydrophobicContact CG-CD2 4.02Å; L889-F1162 HydrophobicContact CG-CE2 3.93Å; R891-F1162 HydrophobicContact CG-CZ 4.35Å; M1042-F1162 HydrophobicContact CE-CB 3.69Å; M1042-F1162 HydrophobicContact CE-CD1 4.48Å; M1042-F1162 HydrophobicContact CE-CG 4.14Å; M1042-F1162 HydrophobicContact SD-CB 4.36Å; M1042-F1162 HydrophobicContact SD-CD1 4.23Å; M1042-F1162 HydrophobicContact SD-CG 4.47Å; I1054-F1162 HydrophobicContact CG2-CD2 4Å; I1054-F1162 HydrophobicContact CG2-CE2 4.19Å; L1158-F1162 VanDerWaalsContact O-CB 3.32Å; L1158-F1162 WeakPolarHBondContact O-CB 3.21Å; L1158-F1162 PolarHBondContact O-N 2.99Å; E1159-F1162 PolarHBondContact O-N 3.17Å; F1162-N1166 WeakPolarHBondContact CE1-ND2 3.26Å; F1162-N1166 WeakPolarHBondContact CE2-ND2 3.36Å; F1162-N1166 VanDerWaalsContact CZ-ND2 3.33Å; F1162-N1166 WeakPolarHBondContact CZ-ND2 3.47Å; F1162-N1166 WeakPolarHBondContact O-CB 3.08Å; F1162-N1166 PolarHBondContact O-N 3.12Å; F1162-N1166 VanDerWaalsContact O-N 3.12Å; F1162-N1166 PolarHBondContact O-ND2 2.76Å; F1162-V1803 HydrophobicContact CE1-CG2 4.17Å
1163E70.4Confident62.5Low49 Ų4959.4 Ų59.423%0.22934%0.34CS..Hα-helixtrans-60.2-48.1169.8-79.9174.5-125.500111.9E1159 Q1160 E1161 N1166 R1167E1159-E1163 WeakPolarHBondContact O-CG 3.38Å; E1159-E1163 PolarHBondContact O-N 2.6Å; Q1160-E1163 PolarHBondContact O-N 3.44Å; E1161-E1163 VanDerWaalsContact C-N 3.35Å; E1161-E1163 PolarHBondContact O-N 2.78Å; E1163-N1166 CarbonylContact O-C 3.6Å; E1163-N1166 PolarHBondContact O-N 2.76Å; E1163-R1167 WeakPolarHBondContact O-CB 3.44Å; E1163-R1167 VanDerWaalsContact O-CG 3.3Å; E1163-R1167 WeakPolarHBondContact O-CG 3.23Å; E1163-R1167 PolarHBondContact O-N 3.26Å; E1163-R1167 IonicContact OE2-CZ 3.83Å; E1163-R1167 IonicContact OE2-NH1 3.95Å; E1163-R1167 PolarHBondContact OE2-NH1 2.82Å; E1163-R1167 IonicContact OE2-NH2 3.06Å; E1163-R1167 PolarHBondContact OE2-NH2 3.08Å
1164Q73.5Confident61.1Low112 Ų11263.8 Ų63.852%0.52337%0.369SS..Hα-helixtrans-63-46.6-179.3-71.8169.923.700111.9Q1160 E1161 N1166 R1167 N1168Q1160-Q1164 WeakPolarHBondContact O-CB 3.43Å; Q1160-Q1164 VanDerWaalsContact O-CG 3.22Å; Q1160-Q1164 WeakPolarHBondContact O-CG 3.42Å; Q1160-Q1164 PolarHBondContact O-N 3.33Å; E1161-Q1164 PolarHBondContact O-N 2.85Å; Q1164-N1166 PolarHBondContact O-N 2.95Å; Q1164-R1167 PolarHBondContact O-N 3.13Å; Q1164-R1167 VanDerWaalsContact O-N 3.1Å; Q1164-N1168 WeakPolarHBondContact O-CB 3.5Å; Q1164-N1168 VanDerWaalsContact O-CG 3.24Å; Q1164-N1168 PolarHBondContact O-N 3.31Å; Q1164-N1168 PolarHBondContact O-OD1 3.43Å
1165L74.5Confident59.9Low43 Ų4372.5 Ų72.523%0.22540%0.398CS..Hα-helixtrans-64.4-24.3176.8-66176.1000113.1I1054 R1056 I1061 A1062 E1161I1054-L1165 HydrophobicContact CD1-CD1 3.73Å; I1054-L1165 HydrophobicContact CG2-CD1 4.35Å; R1056-L1165 PolarHBondContact NH1-O 3.42Å; I1061-L1165 HydrophobicContact CD1-CB 4.43Å; I1061-L1165 HydrophobicContact CG2-CD2 4.01Å; A1062-L1165 HydrophobicContact CB-CD1 4.04Å; E1161-L1165 HydrophobicContact CG-CD1 3.83Å; E1161-L1165 HydrophobicContact CG-CG 4.25Å; E1161-L1165 WeakPolarHBondContact O-CB 3.47Å; E1161-L1165 VanDerWaalsContact O-CG 3.32Å; E1161-L1165 WeakPolarHBondContact O-CG 3.41Å; E1161-L1165 PolarHBondContact O-N 3.03Å
1166N70.5Confident59Low7 Ų780.7 Ų80.74%0.03743%0.425CS..Hα-helixtrans-84.8-33.8170.1-76.5-66.5000112.9R891 R1056 F1162 E1163 Q1164 V1803R891-N1166 WeakPolarHBondContact CD-OD1 3.25Å; R891-N1166 WeakPolarHBondContact CG-OD1 3.37Å; R1056-N1166 PolarHBondContact NH1-O 3.46Å; R1056-N1166 PolarHBondContact NH2-O 2.81Å; F1162-N1166 WeakPolarHBondContact CE1-ND2 3.26Å; F1162-N1166 WeakPolarHBondContact CE2-ND2 3.36Å; F1162-N1166 VanDerWaalsContact CZ-ND2 3.33Å; F1162-N1166 WeakPolarHBondContact CZ-ND2 3.47Å; F1162-N1166 WeakPolarHBondContact O-CB 3.08Å; F1162-N1166 PolarHBondContact O-N 3.12Å; F1162-N1166 VanDerWaalsContact O-N 3.12Å; F1162-N1166 PolarHBondContact O-ND2 2.76Å; E1163-N1166 CarbonylContact O-C 3.6Å; E1163-N1166 PolarHBondContact O-N 2.76Å; Q1164-N1166 PolarHBondContact O-N 2.95Å; N1166-V1803 HydrophobicContact CB-CG2 4.31Å
1167R66.6Low57.8Low122 Ų12284.1 Ų84.146%0.4645%0.447SS..Hα-helixtrans-70.5-40.6178.3-74.5170.2-177.9146.211112.6E1163 Q1164 G1169 D1806E1163-R1167 WeakPolarHBondContact O-CB 3.44Å; E1163-R1167 VanDerWaalsContact O-CG 3.3Å; E1163-R1167 WeakPolarHBondContact O-CG 3.23Å; E1163-R1167 PolarHBondContact O-N 3.26Å; E1163-R1167 IonicContact OE2-CZ 3.83Å; E1163-R1167 IonicContact OE2-NH1 3.95Å; E1163-R1167 PolarHBondContact OE2-NH1 2.82Å; E1163-R1167 IonicContact OE2-NH2 3.06Å; E1163-R1167 PolarHBondContact OE2-NH2 3.08Å; Q1164-R1167 PolarHBondContact O-N 3.13Å; Q1164-R1167 VanDerWaalsContact O-N 3.1Å; R1167-G1169 PolarHBondContact O-N 3.34Å; R1167-D1806 IonicContact NH2-OD2 2.7Å
1168N59.3Low56.8Low137 Ų13786.7 Ų86.773%0.73347%0.47SS*.THydrogen-bonded Turntrans-79.528.4-169.8-62.1-4.2000115.3Q1164Q1164-N1168 WeakPolarHBondContact O-CB 3.5Å; Q1164-N1168 VanDerWaalsContact O-CG 3.24Å; Q1164-N1168 PolarHBondContact O-N 3.31Å; Q1164-N1168 PolarHBondContact O-OD1 3.43Å
1169G53.9Low55.5Low46 Ų4691.7 Ų91.747%0.47451%0.505SS..THydrogen-bonded Turntrans-162.521.1-171.300000116.6R1056 R1167R1056-G1169 VanDerWaalsContact NH2-C 3.29Å; R1056-G1169 PolarHBondContact NH2-O 3.18Å; R1167-G1169 PolarHBondContact O-N 3.34Å
1170E51Low54.2Low108 Ų10893.6 Ų93.651%0.50552%0.517SS..SBendtrans-109.2143.3155.6-90.2141.7-133.500106.5R891 R1056R891-E1170 IonicContact NH1-OE1 2.75Å; R891-E1170 PolarHBondContact NH1-OE1 3.18Å; R891-E1170 VanDerWaalsContact NH1-OE1 3.15Å; R891-E1170 IonicContact NH1-OE2 2.85Å; R1056-E1170 IonicContact CZ-OE1 3.71Å; R1056-E1170 IonicContact NH2-OE1 3.65Å; R1056-E1170 PolarHBondContact NH2-OE1 3.36Å
1171D42.4Very low53.1Low166 Ų16698.8 Ų98.889%0.88853%0.534SS*.  trans-55.2144.7-169.9-64.2-72.7000112.6G1173D1171-G1173 PolarHBondContact O-N 2.91Å
1172A36Very low52Low108 Ų108100.7 Ų100.789%0.89355%0.55SS**  trans-74.145.9-175.200000113.7
1173G39.6Very low51.1Low54 Ų54101.6 Ų101.656%0.55756%0.561SS**  trans-57.9135.4164.300000109.7D1171 R1175D1171-G1173 PolarHBondContact O-N 2.91Å; G1173-R1175 PolarHBondContact O-N 3.27Å; G1173-R1175 VanDerWaalsContact O-N 3.1Å
1174P38.7Very low50.8Low123 Ų12399.3 Ų99.380%0.79955%0.55SS*.  trans-62.8118.9-172.323.9-33.5000110.6R1176P1174-R1176 PolarHBondContact O-N 2.95Å
1175R40.8Very low50.4Low213 Ų21394.9 Ų94.980%0.80453%0.531SS*.  trans-54.9110.2166.8-78.1179.6168.6-177.2-4107.9G1173G1173-R1175 PolarHBondContact O-N 3.27Å; G1173-R1175 VanDerWaalsContact O-N 3.1Å
1176R39.2Very low49.8Very low197 Ų19792.8 Ų92.874%0.74352%0.52SS*.  trans-54136.2175.2-72.1-172.3-179.4-179.81.3109.5P1174P1174-R1176 PolarHBondContact O-N 2.95Å
1177P34.8Very low49.4Very low89 Ų8993.7 Ų93.758%0.57853%0.53SS*.  trans-59.5148.7-174.924.3-34000111.1S1179 D1180P1177-S1179 PolarHBondContact O-N 3.26Å; P1177-D1180 PolarHBondContact O-N 3.4Å; P1177-D1180 VanDerWaalsContact O-N 3.11Å
1178A43.6Very low49.1Very low72 Ų7293 Ų9360%0.59554%0.542SS*.G310 helixtrans-62.4-19-169.200000114.3D1180 R1181A1178-D1180 VanDerWaalsContact C-N 3.27Å; A1178-D1180 PolarHBondContact O-N 2.99Å; A1178-R1181 WeakPolarHBondContact O-CB 3.42Å; A1178-R1181 WeakPolarHBondContact O-CG 3.19Å; A1178-R1181 PolarHBondContact O-N 2.98Å
1179S44.2Very low49.2Very low111 Ų11190.3 Ų90.378%0.77654%0.539SS*.G310 helixtrans-62.3-2817551.80000114.2P1177 R1181P1177-S1179 PolarHBondContact O-N 3.26Å; S1179-R1181 VanDerWaalsContact C-N 3.26Å; S1179-R1181 PolarHBondContact O-N 3.4Å
1180D40.9Very low49.6Very low98 Ų9891.4 Ų91.452%0.52453%0.532SS..G310 helixtrans-87.95.3-175.7-150.534.7000112.7P1177 A1178 S1182P1177-D1180 PolarHBondContact O-N 3.4Å; P1177-D1180 VanDerWaalsContact O-N 3.11Å; A1178-D1180 VanDerWaalsContact C-N 3.27Å; A1178-D1180 PolarHBondContact O-N 2.99Å; D1180-S1182 PolarHBondContact O-N 3.34Å
1181R47.6Very low50.2Low184 Ų18487.6 Ų87.669%0.69452%0.515SS*.  trans-78.965.5-178.8-65.5179.7174.4-166.4-2.8112A1178 S1179 G1183A1178-R1181 WeakPolarHBondContact O-CB 3.42Å; A1178-R1181 WeakPolarHBondContact O-CG 3.19Å; A1178-R1181 PolarHBondContact O-N 2.98Å; S1179-R1181 VanDerWaalsContact C-N 3.26Å; S1179-R1181 PolarHBondContact O-N 3.4Å; R1181-G1183 VanDerWaalsContact C-N 3.32Å; R1181-G1183 PolarHBondContact O-N 3.48Å
1182S49.5Very low51.2Low72 Ų7282.2 Ų82.250%0.50349%0.488SS..  trans-6589.3168.851.40000110.6D1180 R1752D1180-S1182 PolarHBondContact O-N 3.34Å; S1182-R1752 WeakPolarHBondContact O-CD 3.42Å; S1182-R1752 PolarHBondContact O-NH1 3.3Å
1183G55.7Low52.3Low23 Ų2383.8 Ų83.824%0.23748%0.482CS..  trans-59.1170.1-155.800000118.6R1181 V1185R1181-G1183 VanDerWaalsContact C-N 3.32Å; R1181-G1183 PolarHBondContact O-N 3.48Å; G1183-V1185 PolarHBondContact O-N 2.92Å
1184V63.7Low53.5Low0 Ų087.7 Ų87.70%049%0.485CS..SBendtrans-62.5-19.7172.2167.50000111.7A1186 F1749 V1753 T1756 Y1757 C1784 T1811V1184-A1186 PolarHBondContact O-N 3.41Å; V1184-F1749 WeakPolarHBondContact O-CE2 3.48Å; V1184-F1749 WeakPolarHBondContact O-CZ 3.39Å; V1184-V1753 HydrophobicContact CG1-CG2 4.43Å; V1184-T1756 VanDerWaalsContact CG2-CB 3.49Å; V1184-T1756 HydrophobicContact CG2-CG2 3.52Å; V1184-T1756 WeakPolarHBondContact CG2-OG1 3.02Å; V1184-Y1757 HydrophobicContact CG1-CE2 3.93Å; V1184-Y1757 HydrophobicContact CG2-CE2 4.36Å; V1184-C1784 HydrophobicContact CG1-CB 4.47Å; V1184-T1811 HydrophobicContact CG1-CG2 4.14Å
1185V65.6Low54.7Low19 Ų1986.7 Ų86.712%0.11548%0.479CS..SBendtrans-86.3101.1179-178.50000109G1183 G1187 Q1814 L1815 A1818 R1820G1183-V1185 PolarHBondContact O-N 2.92Å; V1185-G1187 PolarHBondContact O-N 3.13Å; V1185-Q1814 HydrophobicContact CB-CB 4.26Å; V1185-Q1814 HydrophobicContact CG2-CB 3.54Å; V1185-L1815 HydrophobicContact CB-CD2 4.49Å; V1185-L1815 HydrophobicContact CG1-CD2 4.03Å; V1185-L1815 HydrophobicContact CG2-CD2 3.64Å; V1185-L1815 HydrophobicContact CG2-CG 3.85Å; V1185-A1818 HydrophobicContact CG1-CB 3.64Å; V1185-R1820 VanDerWaalsContact CG1-CZ 3.46Å
1186A62.8Low56.2Low0 Ų077.2 Ų77.20%045%0.445CS..  trans-52.6125.6169.700000109.9V1184 M1190 F1749 C1787 R1820V1184-A1186 PolarHBondContact O-N 3.41Å; A1186-M1190 HydrophobicContact CB-CB 4.31Å; A1186-F1749 HydrophobicContact CB-CE2 4.12Å; A1186-F1749 HydrophobicContact CB-CZ 4.49Å; A1186-C1787 PolarHBondContact O-SG 3.47Å; A1186-R1820 PolarHBondContact O-NH2 2.83Å
1187G61.5Low58.2Low25 Ų2571 Ų7126%0.25843%0.429SS..  trans-75.1164.4172.400000111.5V1185 A1189 M1190V1185-G1187 PolarHBondContact O-N 3.13Å; G1187-A1189 PolarHBondContact O-N 2.72Å; G1187-M1190 WeakPolarHBondContact O-CB 2.99Å; G1187-M1190 PolarHBondContact O-N 2.81Å
1188P60.8Low60.5Low108 Ų10869.6 Ų69.670%0.70143%0.425SS*.G310 helixtrans-55.8-36.6179.121.4-32.3000112.9M1190 I1191P1188-M1190 PolarHBondContact O-N 3.47Å; P1188-I1191 PolarHBondContact O-N 2.97Å
1189A60.2Low62.6Low81 Ų8169.3 Ų69.367%0.66942%0.418SS*.G310 helixtrans-61.8-26175.700000114.3G1187 I1191 R1744G1187-A1189 PolarHBondContact O-N 2.72Å; A1189-I1191 PolarHBondContact O-N 2.79Å; A1189-R1744 PolarHBondContact O-NH1 2.91Å
1190M62.9Low64.6Low69 Ų6969.7 Ų69.734%0.3441%0.405SS..G310 helixtrans-8412.6179.5-67.2-176.5172.300113.3A1186 G1187 P1188 R1744A1186-M1190 HydrophobicContact CB-CB 4.31Å; G1187-M1190 WeakPolarHBondContact O-CB 2.99Å; G1187-M1190 PolarHBondContact O-N 2.81Å; P1188-M1190 PolarHBondContact O-N 3.47Å; M1190-R1744 WeakPolarHBondContact O-CB 3.48Å; M1190-R1744 PolarHBondContact O-N 3.05Å
1191I63.8Low66.9Low27 Ų2765.8 Ų65.814%0.13838%0.384CS..BIsolated β-bridgetrans-127.8147.2-179-65.9-175.2000110P1188 A1189 G1742 R1744 C1787P1188-I1191 PolarHBondContact O-N 2.97Å; A1189-I1191 PolarHBondContact O-N 2.79Å; I1191-G1742 WeakPolarHBondContact CA-O 3.38Å; I1191-R1744 PolarHBondContact O-NH1 3.45Å; I1191-C1787 HydrophobicContact CD1-CB 3.59Å; I1191-C1787 VanDerWaalsContact CD1-N 3.27Å; I1191-C1787 VanDerWaalsContact CD1-SG 3.56Å
1192T63.6Low69Low54 Ų5459.4 Ų59.433%0.33136%0.361SS..  trans-69.5128172.355.70000110.7E1194 G1742 R1744T1192-E1194 CarbonylContact C-O 3.27Å; T1192-E1194 WeakPolarHBondContact CB-O 3.38Å; T1192-E1194 CarbonylContact O-C 3.33Å; T1192-E1194 PolarHBondContact O-N 3.2Å; T1192-E1194 VanDerWaalsContact O-N 3.15Å; T1192-E1194 VanDerWaalsContact O-O 3.06Å; T1192-E1194 PolarHBondContact OG1-O 2.97Å; T1192-G1742 PolarHBondContact N-O 2.04Å; T1192-G1742 PolarHBondContact OG1-O 3.29Å; T1192-R1744 HydrophobicContact CG2-CG 4.21Å
1193D59.2Low71Confident141 Ų14164.6 Ų64.675%0.75437%0.37SS*.SBendtrans-59.6-28.6-176.1-48.8-93.6000112.2R1744D1193-R1744 IonicContact OD2-CZ 3.07Å; D1193-R1744 IonicContact OD2-NH1 2.65Å; D1193-R1744 IonicContact OD2-NH2 3.65Å; D1193-R1744 PolarHBondContact OD2-NH2 3.36Å
1194E63.7Low72.6Confident135 Ų13565 Ų6563%0.63137%0.367SS*.SBendtrans-91136.3164.6-62.4-177.6165.100111.6T1192T1192-E1194 CarbonylContact C-O 3.27Å; T1192-E1194 WeakPolarHBondContact CB-O 3.38Å; T1192-E1194 CarbonylContact O-C 3.33Å; T1192-E1194 PolarHBondContact O-N 3.2Å; T1192-E1194 VanDerWaalsContact O-N 3.15Å; T1192-E1194 VanDerWaalsContact O-O 3.06Å; T1192-E1194 PolarHBondContact OG1-O 2.97Å
1195P65.4Low74Confident103 Ų10365.4 Ų65.467%0.66937%0.369SS*.PPolyproline II helixtrans-63153.5166.229.3-34.6000110.5T1197P1195-T1197 PolarHBondContact O-N 3.16Å; P1195-T1197 VanDerWaalsContact O-N 3.09Å
1196P72.2Confident75.2Confident14 Ų1466.3 Ų66.39%0.09137%0.372CS..PPolyproline II helixtrans-58.8121.5-179.723-32.3000110.6K1200 Q1201 L1740P1196-K1200 HydrophobicContact CB-CB 3.99Å; P1196-K1200 HydrophobicContact CB-CD 4.46Å; P1196-Q1201 HydrophobicContact CB-CG 4.33Å; P1196-Q1201 HydrophobicContact CG-CG 4.25Å; P1196-Q1201 WeakPolarHBondContact O-CG 3.2Å; P1196-Q1201 PolarHBondContact O-NE2 2.94Å; P1196-L1740 WeakPolarHBondContact CG-O 3.31Å
1197T81.4Confident76.6Confident67 Ų6767.5 Ų67.541%0.41139%0.385SS..PPolyproline II helixtrans-53.1155.317963.70000112P1195 C1199 K1200 Q1201P1195-T1197 PolarHBondContact O-N 3.16Å; P1195-T1197 VanDerWaalsContact O-N 3.09Å; T1197-C1199 PolarHBondContact O-N 3.37Å; T1197-K1200 WeakPolarHBondContact O-CA 3.33Å; T1197-K1200 WeakPolarHBondContact O-CB 3.17Å; T1197-K1200 PolarHBondContact O-N 3.49Å; T1197-Q1201 PolarHBondContact O-N 3.38Å
1198A83.2Confident78Confident59 Ų5966.7 Ų66.749%0.48837%0.374SS..Hα-helixtrans-49.7-37.2-179.600000113.4Q1201 F1202 T1428A1198-Q1201 PolarHBondContact O-N 2.89Å; A1198-F1202 VanDerWaalsContact O-CB 3.29Å; A1198-F1202 WeakPolarHBondContact O-CB 3.45Å; A1198-F1202 PolarHBondContact O-N 3.4Å; A1198-T1428 HydrophobicContact CB-CG2 3.72Å
1199C87.2Confident79.3Confident66 Ų6662 Ų6245%0.44634%0.342SS..Hα-helixtrans-68.5-39.2174.4-171.20000113.2T1197 F1202 R1203T1197-C1199 PolarHBondContact O-N 3.37Å; C1199-F1202 PolarHBondContact O-N 3.31Å; C1199-R1203 WeakPolarHBondContact O-CG 3.47Å; C1199-R1203 PolarHBondContact O-N 2.81Å
1200K86.9Confident80.7Confident118 Ų11863.1 Ų63.151%0.51334%0.337SS..Hα-helixtrans-63.8-45.1172.4-71.6173.7179.7171.10110.6P1196 T1197 R1203 L1204P1196-K1200 HydrophobicContact CB-CB 3.99Å; P1196-K1200 HydrophobicContact CB-CD 4.46Å; T1197-K1200 WeakPolarHBondContact O-CA 3.33Å; T1197-K1200 WeakPolarHBondContact O-CB 3.17Å; T1197-K1200 PolarHBondContact O-N 3.49Å; K1200-R1203 PolarHBondContact O-N 3.25Å; K1200-L1204 VanDerWaalsContact O-CG 3.29Å; K1200-L1204 WeakPolarHBondContact O-CG 3.38Å; K1200-L1204 PolarHBondContact O-N 3.02Å; K1200-L1204 VanDerWaalsContact O-N 3.07Å
1201Q88.2Confident82Confident17 Ų1764.8 Ų64.88%0.07934%0.339CS..Hα-helixtrans-59.2-47.5174.6-62.5-1742.600111.7P1196 T1197 A1198 R1203 L1204 L1205 G1423 T1428P1196-Q1201 HydrophobicContact CB-CG 4.33Å; P1196-Q1201 HydrophobicContact CG-CG 4.25Å; P1196-Q1201 WeakPolarHBondContact O-CG 3.2Å; P1196-Q1201 PolarHBondContact O-NE2 2.94Å; T1197-Q1201 PolarHBondContact O-N 3.38Å; A1198-Q1201 PolarHBondContact O-N 2.89Å; Q1201-R1203 PolarHBondContact O-N 2.76Å; Q1201-L1204 PolarHBondContact O-N 3.46Å; Q1201-L1205 WeakPolarHBondContact O-CG 3.42Å; Q1201-L1205 PolarHBondContact O-N 3.24Å; Q1201-G1423 PolarHBondContact NE2-O 3.28Å; Q1201-T1428 PolarHBondContact OE1-OG1 3.18Å
1202F91Very high83.1Confident49 Ų4964.5 Ų64.522%0.21534%0.337CS..Hα-helixtrans-54.5-52.2177.2-177.3-81000111.4A1198 C1199 L1204 L1205 M1206 L1431 V1432 V1435A1198-F1202 VanDerWaalsContact O-CB 3.29Å; A1198-F1202 WeakPolarHBondContact O-CB 3.45Å; A1198-F1202 PolarHBondContact O-N 3.4Å; C1199-F1202 PolarHBondContact O-N 3.31Å; F1202-L1204 VanDerWaalsContact C-N 3.31Å; F1202-L1204 PolarHBondContact O-N 3.48Å; F1202-L1205 PolarHBondContact O-N 3.07Å; F1202-M1206 HydrophobicContact CE1-SD 4.48Å; F1202-M1206 HydrophobicContact CZ-SD 4.48Å; F1202-M1206 VanDerWaalsContact O-CB 3.29Å; F1202-M1206 WeakPolarHBondContact O-CB 3.36Å; F1202-M1206 PolarHBondContact O-N 3.14Å; F1202-L1431 HydrophobicContact CD2-CD2 4.11Å; F1202-L1431 HydrophobicContact CD2-CG 4.46Å; F1202-L1431 HydrophobicContact CE2-CD2 4.12Å; F1202-L1431 HydrophobicContact CE2-CG 4.12Å; F1202-V1432 HydrophobicContact CB-CG2 4.12Å; F1202-V1432 HydrophobicContact CD2-CB 4.39Å; F1202-V1432 HydrophobicContact CD2-CG2 3.27Å; F1202-V1432 HydrophobicContact CE2-CB 4.4Å; F1202-V1432 HydrophobicContact CE2-CG2 3.7Å; F1202-V1432 HydrophobicContact CG-CG2 3.75Å; F1202-V1432 HydrophobicContact CZ-CG2 4.49Å; F1202-V1435 HydrophobicContact CE2-CG2 4.42Å; F1202-V1435 HydrophobicContact CZ-CB 4.25Å; F1202-V1435 HydrophobicContact CZ-CG1 4.22Å; F1202-V1435 HydrophobicContact CZ-CG2 4.35Å
1203R91.9Very high84Confident181 Ų18163.9 Ų63.968%0.68333%0.332SS*.Hα-helixtrans-60.8-36.1178.4-69177.7-168.4-168.33112.8C1199 K1200 Q1201 G1207C1199-R1203 WeakPolarHBondContact O-CG 3.47Å; C1199-R1203 PolarHBondContact O-N 2.81Å; K1200-R1203 PolarHBondContact O-N 3.25Å; Q1201-R1203 PolarHBondContact O-N 2.76Å; R1203-G1207 PolarHBondContact O-N 3.07Å
1204L90.6Very high85.3Confident33 Ų3360.8 Ų60.817%0.17332%0.321CS..Hα-helixtrans-69.3-43.9177.4-70.7169.5000112.5K1200 Q1201 F1202 G1207 K1208 R1739 L1740K1200-L1204 VanDerWaalsContact O-CG 3.29Å; K1200-L1204 WeakPolarHBondContact O-CG 3.38Å; K1200-L1204 PolarHBondContact O-N 3.02Å; K1200-L1204 VanDerWaalsContact O-N 3.07Å; Q1201-L1204 PolarHBondContact O-N 3.46Å; F1202-L1204 VanDerWaalsContact C-N 3.31Å; F1202-L1204 PolarHBondContact O-N 3.48Å; L1204-G1207 PolarHBondContact O-N 2.97Å; L1204-K1208 PolarHBondContact O-N 3.31Å; L1204-R1739 HydrophobicContact CD1-CB 3.79Å; L1204-R1739 HydrophobicContact CD2-CB 3.66Å; L1204-R1739 HydrophobicContact CD2-CG 4.28Å; L1204-R1739 HydrophobicContact CG-CB 4.41Å; L1204-L1740 HydrophobicContact CD1-CD1 4.43Å
1205L91.9Very high86.3Confident7 Ų758.6 Ų58.64%0.03731%0.307CS..Hα-helixtrans-68.6-43.8178.5-68.3164000111.5Q1201 F1202 G1207 K1208 R1209 Q1419 V1424 V1432 F1736Q1201-L1205 WeakPolarHBondContact O-CG 3.42Å; Q1201-L1205 PolarHBondContact O-N 3.24Å; F1202-L1205 PolarHBondContact O-N 3.07Å; L1205-G1207 VanDerWaalsContact C-N 3.27Å; L1205-G1207 PolarHBondContact O-N 2.98Å; L1205-K1208 WeakPolarHBondContact O-CB 3.2Å; L1205-K1208 PolarHBondContact O-N 3.27Å; L1205-K1208 VanDerWaalsContact O-N 3.17Å; L1205-R1209 PolarHBondContact O-N 2.84Å; L1205-Q1419 VanDerWaalsContact CD2-OE1 3.25Å; L1205-V1424 HydrophobicContact CD1-CG1 3.81Å; L1205-V1424 HydrophobicContact CD1-CG2 4.4Å; L1205-V1432 HydrophobicContact CB-CB 4.31Å; L1205-V1432 HydrophobicContact CB-CG1 3.85Å; L1205-V1432 HydrophobicContact CB-CG2 3.98Å; L1205-V1432 HydrophobicContact CD1-CG2 4.17Å; L1205-F1736 HydrophobicContact CD2-CE2 4.38Å; L1205-F1736 HydrophobicContact CD2-CZ 3.98Å
1206M91.4Very high87.2Confident38 Ų3856.2 Ų56.219%0.18729%0.289CS..Hα-helixtrans-57.9-42.6171.7-157.475.7172.600110.8F1202 R1209 L1210 V1432 V1435 W1436 L1439F1202-M1206 HydrophobicContact CE1-SD 4.48Å; F1202-M1206 HydrophobicContact CZ-SD 4.48Å; F1202-M1206 VanDerWaalsContact O-CB 3.29Å; F1202-M1206 WeakPolarHBondContact O-CB 3.36Å; F1202-M1206 PolarHBondContact O-N 3.14Å; M1206-R1209 PolarHBondContact O-N 3.22Å; M1206-L1210 WeakPolarHBondContact O-CB 3.45Å; M1206-L1210 PolarHBondContact O-N 2.94Å; M1206-V1432 HydrophobicContact SD-CG1 4.18Å; M1206-V1435 HydrophobicContact CE-CG1 4.1Å; M1206-W1436 HydrophobicContact CE-CB 4.43Å; M1206-W1436 HydrophobicContact CE-CE3 3.74Å; M1206-W1436 HydrophobicContact CE-CZ3 4.44Å; M1206-W1436 HydrophobicContact CG-CE3 4.37Å; M1206-W1436 HydrophobicContact SD-CB 4.24Å; M1206-W1436 HydrophobicContact SD-CE3 3.79Å; M1206-L1439 HydrophobicContact CE-CD1 3.74Å
1207G91.1Very high87.7Confident26 Ų2661.2 Ų61.227%0.26831%0.307SS..Hα-helixtrans-66.6-30.8175.700000114.8R1203 L1204 L1205 R1211R1203-G1207 PolarHBondContact O-N 3.07Å; L1204-G1207 PolarHBondContact O-N 2.97Å; L1205-G1207 VanDerWaalsContact C-N 3.27Å; L1205-G1207 PolarHBondContact O-N 2.98Å; G1207-R1211 VanDerWaalsContact O-CG 3.32Å; G1207-R1211 WeakPolarHBondContact O-CG 3.33Å; G1207-R1211 PolarHBondContact O-N 3.2Å
1208K91.2Very high87.8Confident7 Ų765.2 Ų65.23%0.0331%0.314CS..Hα-helixtrans-64.4-55168.7-179-162.1169.7-173.80109.6L1204 L1205 L1210 R1211 H1212 Y1406 E1410 E1415 D1725 L1728 F1736L1204-K1208 PolarHBondContact O-N 3.31Å; L1205-K1208 WeakPolarHBondContact O-CB 3.2Å; L1205-K1208 PolarHBondContact O-N 3.27Å; L1205-K1208 VanDerWaalsContact O-N 3.17Å; K1208-L1210 VanDerWaalsContact C-N 3.29Å; K1208-L1210 PolarHBondContact O-N 3.14Å; K1208-R1211 PolarHBondContact O-N 3.13Å; K1208-R1211 VanDerWaalsContact O-N 3.08Å; K1208-H1212 PolarHBondContact O-N 2.7Å; K1208-Y1406 VanDerWaalsContact CE-OH 3.24Å; K1208-Y1406 WeakPolarHBondContact CE-OH 3.41Å; K1208-Y1406 PolarHBondContact NZ-OH 2.93Å; K1208-E1410 IonicContact NZ-OE1 3.59Å; K1208-E1410 PolarHBondContact NZ-OE1 2.89Å; K1208-E1415 IonicContact NZ-OE2 2.85Å; K1208-E1415 PolarHBondContact NZ-OE2 3.26Å; K1208-D1725 WeakPolarHBondContact CE-OD2 3.36Å; K1208-D1725 IonicContact NZ-OD2 3.98Å; K1208-L1728 HydrophobicContact CG-CD1 4.4Å; K1208-F1736 HydrophobicContact CB-CD2 4.1Å; K1208-F1736 HydrophobicContact CB-CE2 3.82Å; K1208-F1736 HydrophobicContact CB-CZ 4.41Å; K1208-F1736 HydrophobicContact CD-CE1 4.41Å; K1208-F1736 HydrophobicContact CD-CE2 4.39Å; K1208-F1736 HydrophobicContact CD-CZ 4.13Å; K1208-F1736 HydrophobicContact CG-CE2 4.45Å
1209R89.5Confident87.4Confident9 Ų965.9 Ų65.93%0.03431%0.309CS..Hα-helixtrans-57.7-41.5-177.2-70.4-172171.5-140-6.5111.7L1205 M1206 R1211 H1212 L1213 Y1406 L1407 E1410 W1436 D1437L1205-R1209 PolarHBondContact O-N 2.84Å; M1206-R1209 PolarHBondContact O-N 3.22Å; R1209-R1211 PolarHBondContact O-N 3.17Å; R1209-H1212 PolarHBondContact O-N 3.2Å; R1209-L1213 WeakPolarHBondContact O-CB 3.3Å; R1209-L1213 PolarHBondContact O-N 3.42Å; R1209-Y1406 HydrophobicContact CG-CE1 4.02Å; R1209-L1407 VanDerWaalsContact NH2-CD2 3.32Å; R1209-E1410 IonicContact CZ-OE2 3.78Å; R1209-E1410 IonicContact NH2-OE2 3.87Å; R1209-E1410 PolarHBondContact NH2-OE2 3.03Å; R1209-W1436 HydrophobicContact CB-CD2 3.67Å; R1209-W1436 HydrophobicContact CB-CE3 3.81Å; R1209-W1436 HydrophobicContact CB-CG 4.29Å; R1209-W1436 HydrophobicContact CB-CH2 4.2Å; R1209-W1436 HydrophobicContact CB-CZ2 4Å; R1209-W1436 HydrophobicContact CB-CZ3 4.09Å; R1209-W1436 HydrophobicContact CG-CD2 4.46Å; R1209-D1437 IonicContact NH1-OD1 3.72Å; R1209-D1437 PolarHBondContact NH1-OD1 3.28Å
1210L89.1Confident86.9Confident106 Ų10664.4 Ų64.456%0.55530%0.297SS*.Hα-helixtrans-61.9-39.1175.4-172.961.8000114.1M1206 K1208 S1214 W1436M1206-L1210 WeakPolarHBondContact O-CB 3.45Å; M1206-L1210 PolarHBondContact O-N 2.94Å; K1208-L1210 VanDerWaalsContact C-N 3.29Å; K1208-L1210 PolarHBondContact O-N 3.14Å; L1210-S1214 WeakPolarHBondContact O-CB 3.44Å; L1210-S1214 PolarHBondContact O-N 3.45Å; L1210-S1214 PolarHBondContact O-OG 3.22Å; L1210-W1436 HydrophobicContact CB-CH2 4.07Å; L1210-W1436 HydrophobicContact CB-CZ3 4.01Å; L1210-W1436 HydrophobicContact CD1-CH2 4.06Å; L1210-W1436 HydrophobicContact CD1-CZ3 4.31Å
1211R89.2Confident86.7Confident103 Ų10362.9 Ų62.939%0.38929%0.294SS..Hα-helixtrans-73.1-38.8176.4-69.6171.1-171.8-1271.7112.9G1207 K1208 R1209 L1213 S1214 R1215 E1732G1207-R1211 VanDerWaalsContact O-CG 3.32Å; G1207-R1211 WeakPolarHBondContact O-CG 3.33Å; G1207-R1211 PolarHBondContact O-N 3.2Å; K1208-R1211 PolarHBondContact O-N 3.13Å; K1208-R1211 VanDerWaalsContact O-N 3.08Å; R1209-R1211 PolarHBondContact O-N 3.17Å; R1211-L1213 VanDerWaalsContact C-N 3.32Å; R1211-S1214 PolarHBondContact O-OG 3.04Å; R1211-R1215 PolarHBondContact O-N 3.1Å; R1211-E1732 IonicContact CZ-OE1 3.14Å; R1211-E1732 IonicContact NH1-OE1 3.76Å; R1211-E1732 PolarHBondContact NH1-OE1 3.47Å
1212H87.1Confident86.4Confident22 Ų2269.4 Ų69.410%0.10232%0.319CS..Hα-helixtrans-62-43.9173.1178.8-81.3000110.2K1208 R1209 N1216 Y1406 D1725K1208-H1212 PolarHBondContact O-N 2.7Å; R1209-H1212 PolarHBondContact O-N 3.2Å; H1212-N1216 WeakPolarHBondContact O-CB 3.38Å; H1212-N1216 PolarHBondContact O-N 2.98Å; H1212-Y1406 HydrophobicContact CB-CE2 4.4Å; H1212-Y1406 AromaticContact CD2-CE2 3.86Å; H1212-Y1406 AromaticContact CE1-CD2 3.52Å; H1212-Y1406 AromaticContact CE1-CE2 3.74Å; H1212-Y1406 AromaticContact CG-CE2 3.72Å; H1212-Y1406 AromaticContact ND1-CD2 3.67Å; H1212-Y1406 AromaticContact ND1-CE2 3.63Å; H1212-Y1406 AromaticContact NE2-CE2 3.89Å; H1212-D1725 IonicContact CD2-OD1 2.7Å; H1212-D1725 IonicContact CD2-OD2 2.59Å; H1212-D1725 PolarHBondContact CD2-OD2 3.12Å
1213L83.7Confident85.7Confident40 Ų4067.9 Ų67.921%0.20931%0.313CS..Hα-helixtrans-64.5-47.4176.6-162.380000112.4R1209 R1211 R1215 N1216 Y1217 L1220 W1436R1209-L1213 WeakPolarHBondContact O-CB 3.3Å; R1209-L1213 PolarHBondContact O-N 3.42Å; R1211-L1213 VanDerWaalsContact C-N 3.32Å; L1213-R1215 PolarHBondContact O-N 3.39Å; L1213-N1216 CarbonylContact O-C 3.5Å; L1213-N1216 PolarHBondContact O-N 3.12Å; L1213-Y1217 VanDerWaalsContact O-CA 3.28Å; L1213-Y1217 WeakPolarHBondContact O-CA 3.1Å; L1213-Y1217 PolarHBondContact O-N 3.1Å; L1213-L1220 HydrophobicContact CD1-CB 4.09Å; L1213-L1220 HydrophobicContact CD1-CD1 4.24Å; L1213-L1220 HydrophobicContact CD2-CD1 4.27Å; L1213-L1220 HydrophobicContact CD2-CD2 3.79Å; L1213-L1220 HydrophobicContact CD2-CG 4.44Å; L1213-L1220 HydrophobicContact CG-CB 4.37Å; L1213-L1220 HydrophobicContact CG-CD2 4.35Å; L1213-W1436 HydrophobicContact CB-CH2 4.08Å; L1213-W1436 HydrophobicContact CB-CZ2 3.82Å; L1213-W1436 HydrophobicContact CD1-CZ2 4.13Å; L1213-W1436 HydrophobicContact CD2-CH2 3.84Å; L1213-W1436 HydrophobicContact CD2-CZ2 3.66Å; L1213-W1436 HydrophobicContact CG-CH2 4.5Å; L1213-W1436 HydrophobicContact CG-CZ2 4.07Å
1214S85.2Confident85.2Confident76 Ų7660.3 Ų60.353%0.53129%0.286SS..Hα-helixtrans-64.3-30-178.4680000112.9L1210 R1211L1210-S1214 WeakPolarHBondContact O-CB 3.44Å; L1210-S1214 PolarHBondContact O-N 3.45Å; L1210-S1214 PolarHBondContact O-OG 3.22Å; R1211-S1214 PolarHBondContact O-OG 3.04Å
1215R85.3Confident84.9Confident89 Ų8963.1 Ų63.134%0.33630%0.301SS..Hα-helixtrans-78.7-29.2171.4-71.7-171.5177.1141.415.9114.1R1211 L1213 L1727 E1732R1211-R1215 PolarHBondContact O-N 3.1Å; L1213-R1215 PolarHBondContact O-N 3.39Å; R1215-L1727 VanDerWaalsContact CD-O 3.25Å; R1215-L1727 WeakPolarHBondContact CD-O 3.37Å; R1215-L1727 PolarHBondContact NH1-O 3.04Å; R1215-E1732 IonicContact CZ-OE2 3.14Å; R1215-E1732 IonicContact NH1-OE2 3.54Å; R1215-E1732 PolarHBondContact NH1-OE2 2.78Å; R1215-E1732 VanDerWaalsContact NH2-CD 3.34Å; R1215-E1732 IonicContact NH2-OE1 3.31Å; R1215-E1732 PolarHBondContact NH2-OE1 2.84Å; R1215-E1732 IonicContact NH2-OE2 2.66Å; R1215-E1732 PolarHBondContact NH2-OE2 3.01Å
1216N83.3Confident84.3Confident54 Ų5466.3 Ų66.329%0.28932%0.318SS..THydrogen-bonded Turntrans-103.635173.2-155.311.7000112H1212 L1213 R1218 L1219 L1727H1212-N1216 WeakPolarHBondContact O-CB 3.38Å; H1212-N1216 PolarHBondContact O-N 2.98Å; L1213-N1216 CarbonylContact O-C 3.5Å; L1213-N1216 PolarHBondContact O-N 3.12Å; N1216-R1218 PolarHBondContact O-N 2.79Å; N1216-L1219 WeakPolarHBondContact ND2-CD2 3.35Å; N1216-L1219 WeakPolarHBondContact O-CB 3.27Å; N1216-L1219 PolarHBondContact O-N 3.13Å; N1216-L1727 HydrophobicContact CB-CD1 3.76Å
1217Y83.3Confident83.9Confident119 Ų11964.6 Ų64.647%0.46731%0.309SS..Hα-helixtrans-57.4-26.8-174.174.7-83.7000112.1L1213 L1219 L1220 L1221L1213-Y1217 VanDerWaalsContact O-CA 3.28Å; L1213-Y1217 WeakPolarHBondContact O-CA 3.1Å; L1213-Y1217 PolarHBondContact O-N 3.1Å; Y1217-L1219 VanDerWaalsContact C-N 3.33Å; Y1217-L1219 PolarHBondContact O-N 3.11Å; Y1217-L1220 PolarHBondContact O-N 2.96Å; Y1217-L1221 WeakPolarHBondContact O-CB 3.41Å; Y1217-L1221 PolarHBondContact O-N 2.99Å
1218R83Confident83.5Confident150 Ų15064 Ų6457%0.56630%0.302SS*.Hα-helixtrans-60.7-38.8174-59.7-175.7-176.7-172.5-1112.4N1216 L1221 Y1222N1216-R1218 PolarHBondContact O-N 2.79Å; R1218-L1221 PolarHBondContact O-N 2.74Å; R1218-Y1222 HydrophobicContact CB-CE2 4.12Å; R1218-Y1222 WeakPolarHBondContact O-CD2 3.34Å; R1218-Y1222 VanDerWaalsContact O-CG 3.31Å; R1218-Y1222 PolarHBondContact O-N 3.07Å
1219L76.6Confident83.1Confident73 Ų7367.6 Ų67.638%0.38232%0.321SS..Hα-helixtrans-64.9-45.4175.8-179.363000110.8N1216 Y1217 Y1222 V1223N1216-L1219 WeakPolarHBondContact ND2-CD2 3.35Å; N1216-L1219 WeakPolarHBondContact O-CB 3.27Å; N1216-L1219 PolarHBondContact O-N 3.13Å; Y1217-L1219 VanDerWaalsContact C-N 3.33Å; Y1217-L1219 PolarHBondContact O-N 3.11Å; L1219-Y1222 PolarHBondContact O-N 3.42Å; L1219-V1223 HydrophobicContact CD1-CG2 4.42Å; L1219-V1223 WeakPolarHBondContact O-CB 3.33Å; L1219-V1223 WeakPolarHBondContact O-CG2 3.28Å; L1219-V1223 PolarHBondContact O-N 2.78Å
1220L75.9Confident82.6Confident36 Ų3671.2 Ų71.219%0.18834%0.337CS..Hα-helixtrans-60.1-46.4173.7-176.874.7000111.1L1213 Y1217 Y1222 V1223 L1224 V1440L1213-L1220 HydrophobicContact CD1-CB 4.09Å; L1213-L1220 HydrophobicContact CD1-CD1 4.24Å; L1213-L1220 HydrophobicContact CD2-CD1 4.27Å; L1213-L1220 HydrophobicContact CD2-CD2 3.79Å; L1213-L1220 HydrophobicContact CD2-CG 4.44Å; L1213-L1220 HydrophobicContact CG-CB 4.37Å; L1213-L1220 HydrophobicContact CG-CD2 4.35Å; Y1217-L1220 PolarHBondContact O-N 2.96Å; L1220-Y1222 PolarHBondContact O-N 3.42Å; L1220-V1223 CarbonylContact O-C 3.59Å; L1220-V1223 PolarHBondContact O-N 2.92Å; L1220-V1223 VanDerWaalsContact O-N 3.09Å; L1220-L1224 HydrophobicContact CD1-CD1 4.1Å; L1220-L1224 HydrophobicContact CD1-CG 4.36Å; L1220-L1224 HydrophobicContact CD2-CD1 4.23Å; L1220-L1224 HydrophobicContact CG-CD1 3.82Å; L1220-L1224 HydrophobicContact CG-CG 4.36Å; L1220-L1224 WeakPolarHBondContact O-CG 3.29Å; L1220-L1224 PolarHBondContact O-N 3.08Å; L1220-V1440 HydrophobicContact CD1-CG1 4.12Å
1221L82Confident82.2Confident85 Ų8566.3 Ų66.345%0.44531%0.311SS..Hα-helixtrans-59.9-44.2-179.8-176.963.1000111.4Y1217 R1218 V1223 L1224 L1225Y1217-L1221 WeakPolarHBondContact O-CB 3.41Å; Y1217-L1221 PolarHBondContact O-N 2.99Å; R1218-L1221 PolarHBondContact O-N 2.74Å; L1221-V1223 VanDerWaalsContact C-N 3.35Å; L1221-L1224 PolarHBondContact O-N 3.44Å; L1221-L1225 HydrophobicContact CD1-CB 4.48Å; L1221-L1225 HydrophobicContact CD1-CD1 4.31Å; L1221-L1225 WeakPolarHBondContact O-CB 3.18Å; L1221-L1225 PolarHBondContact O-N 2.9Å
1222Y81.6Confident81.9Confident155 Ų15564.6 Ų64.661%0.60831%0.31SS*.Hα-helixtrans-66.4-35174.2-64.9-50.1000112.7R1218 L1219 L1220 L1224 L1226R1218-Y1222 HydrophobicContact CB-CE2 4.12Å; R1218-Y1222 WeakPolarHBondContact O-CD2 3.34Å; R1218-Y1222 VanDerWaalsContact O-CG 3.31Å; R1218-Y1222 PolarHBondContact O-N 3.07Å; L1219-Y1222 PolarHBondContact O-N 3.42Å; L1220-Y1222 PolarHBondContact O-N 3.42Å; Y1222-L1224 VanDerWaalsContact C-N 3.34Å; Y1222-L1226 WeakPolarHBondContact O-CB 3.12Å; Y1222-L1226 PolarHBondContact O-N 2.73Å; Y1222-L1226 VanDerWaalsContact O-N 3.1Å
1223V77.9Confident81.4Confident16 Ų1666.6 Ų66.610%0.09733%0.325CS..Hα-helixtrans-68.9-29.3177.2165.20000112.7L1219 L1220 L1221 P1227 V1399 S1402L1219-V1223 HydrophobicContact CD1-CG2 4.42Å; L1219-V1223 WeakPolarHBondContact O-CB 3.33Å; L1219-V1223 WeakPolarHBondContact O-CG2 3.28Å; L1219-V1223 PolarHBondContact O-N 2.78Å; L1220-V1223 CarbonylContact O-C 3.59Å; L1220-V1223 PolarHBondContact O-N 2.92Å; L1220-V1223 VanDerWaalsContact O-N 3.09Å; L1221-V1223 VanDerWaalsContact C-N 3.35Å; V1223-P1227 WeakPolarHBondContact O-CD 3.22Å; V1223-P1227 WeakPolarHBondContact O-CG 3.27Å; V1223-V1399 HydrophobicContact CG1-CG1 4.32Å; V1223-S1402 WeakPolarHBondContact CG1-OG 3.42Å; V1223-S1402 VanDerWaalsContact CG2-CB 3.5Å
1224L81.2Confident80.9Confident23 Ų2365.1 Ų65.112%0.1232%0.319CS..Hα-helixtrans-92.1-40.7177.2-64.1172.5000112.7L1220 L1221 Y1222 A1228 L1443L1220-L1224 HydrophobicContact CD1-CD1 4.1Å; L1220-L1224 HydrophobicContact CD1-CG 4.36Å; L1220-L1224 HydrophobicContact CD2-CD1 4.23Å; L1220-L1224 HydrophobicContact CG-CD1 3.82Å; L1220-L1224 HydrophobicContact CG-CG 4.36Å; L1220-L1224 WeakPolarHBondContact O-CG 3.29Å; L1220-L1224 PolarHBondContact O-N 3.08Å; L1221-L1224 PolarHBondContact O-N 3.44Å; Y1222-L1224 VanDerWaalsContact C-N 3.34Å; L1224-A1228 WeakPolarHBondContact O-CB 3.47Å; L1224-L1443 HydrophobicContact CD1-CD2 3.69Å; L1224-L1443 HydrophobicContact CD1-CG 3.91Å; L1224-L1443 HydrophobicContact CD2-CB 4.41Å; L1224-L1443 HydrophobicContact CD2-CD2 4.48Å; L1224-L1443 HydrophobicContact CD2-CG 4.03Å
1225L83.3Confident80.5Confident91 Ų9161.7 Ų61.748%0.47630%0.295SS..Hα-helixtrans-80.4-32.6-174-172.5148.7000112.9L1221 A1228 L1229L1221-L1225 HydrophobicContact CD1-CB 4.48Å; L1221-L1225 HydrophobicContact CD1-CD1 4.31Å; L1221-L1225 WeakPolarHBondContact O-CB 3.18Å; L1221-L1225 PolarHBondContact O-N 2.9Å; L1225-A1228 PolarHBondContact O-N 3.14Å; L1225-L1229 VanDerWaalsContact O-CB 3.29Å; L1225-L1229 WeakPolarHBondContact O-CB 3.4Å; L1225-L1229 PolarHBondContact O-N 3.42Å
1226L79.5Confident80.2Confident74 Ų7463.7 Ų63.739%0.38730%0.302SS..Hα-helixtrans-68.8-42.6-179.8-160.672000112.9Y1222 L1229 F1230 L1398Y1222-L1226 WeakPolarHBondContact O-CB 3.12Å; Y1222-L1226 PolarHBondContact O-N 2.73Å; Y1222-L1226 VanDerWaalsContact O-N 3.1Å; L1226-L1229 PolarHBondContact O-N 3.07Å; L1226-F1230 HydrophobicContact CD1-CE2 4.35Å; L1226-F1230 HydrophobicContact CD2-CE2 4.07Å; L1226-F1230 HydrophobicContact CG-CD2 4.22Å; L1226-F1230 HydrophobicContact CG-CE2 3.76Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.22Å; L1226-F1230 PolarHBondContact O-N 2.95Å; L1226-F1230 VanDerWaalsContact O-N 3.14Å; L1226-L1398 HydrophobicContact CB-CD2 4.1Å; L1226-L1398 HydrophobicContact CD2-CD2 3.83Å; L1226-L1398 HydrophobicContact CG-CD2 4.24Å
1227P82Confident79.5Confident2 Ų265.3 Ų65.31%0.01331%0.307CS..Hα-helixtrans-56.4-50.5168.1-2433.5000112.3V1223 L1229 F1230 E1231 A1395 L1398 V1399V1223-P1227 WeakPolarHBondContact O-CD 3.22Å; V1223-P1227 WeakPolarHBondContact O-CG 3.27Å; P1227-L1229 VanDerWaalsContact C-N 3.26Å; P1227-L1229 PolarHBondContact O-N 2.88Å; P1227-F1230 PolarHBondContact O-N 3.5Å; P1227-F1230 VanDerWaalsContact O-N 3.11Å; P1227-E1231 WeakPolarHBondContact O-CB 3.45Å; P1227-E1231 PolarHBondContact O-N 3.28Å; P1227-A1395 HydrophobicContact CB-CB 3.85Å; P1227-L1398 HydrophobicContact CG-CD2 4.13Å; P1227-V1399 HydrophobicContact CB-CG2 4.28Å; P1227-V1399 HydrophobicContact CG-CG2 3.65Å
1228A83Confident78.7Confident14 Ų1460.6 Ų60.612%0.11629%0.291CS..Hα-helixtrans-61.5-32.9-178.500000113.2L1224 L1225 L1232 V1447 V1451L1224-A1228 WeakPolarHBondContact O-CB 3.47Å; L1225-A1228 PolarHBondContact O-N 3.14Å; A1228-L1232 WeakPolarHBondContact O-CB 3.45Å; A1228-L1232 PolarHBondContact O-N 3.3Å; A1228-V1447 HydrophobicContact CB-CG1 3.5Å; A1228-V1451 HydrophobicContact CB-CG2 4.4Å
1229L84Confident78Confident83 Ų8357.1 Ų57.144%0.43529%0.289SS..Hα-helixtrans-70.5-42.8174.5-177.965.4000111.6L1225 L1226 P1227 E1231 C1233L1225-L1229 VanDerWaalsContact O-CB 3.29Å; L1225-L1229 WeakPolarHBondContact O-CB 3.4Å; L1225-L1229 PolarHBondContact O-N 3.42Å; L1226-L1229 PolarHBondContact O-N 3.07Å; P1227-L1229 VanDerWaalsContact C-N 3.26Å; P1227-L1229 PolarHBondContact O-N 2.88Å; L1229-E1231 VanDerWaalsContact C-N 3.32Å; L1229-C1233 WeakPolarHBondContact O-CB 3.43Å; L1229-C1233 PolarHBondContact O-N 3.32Å; L1229-C1233 PolarHBondContact O-SG 3.04Å
1230F78.3Confident77.5Confident85 Ų8560.1 Ų60.137%0.37330%0.296SS..Hα-helixtrans-63.4-40.8174.5-75.5-57.1000111.7L1226 P1227 A1234L1226-F1230 HydrophobicContact CD1-CE2 4.35Å; L1226-F1230 HydrophobicContact CD2-CE2 4.07Å; L1226-F1230 HydrophobicContact CG-CD2 4.22Å; L1226-F1230 HydrophobicContact CG-CE2 3.76Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.22Å; L1226-F1230 PolarHBondContact O-N 2.95Å; L1226-F1230 VanDerWaalsContact O-N 3.14Å; P1227-F1230 PolarHBondContact O-N 3.5Å; P1227-F1230 VanDerWaalsContact O-N 3.11Å; F1230-A1234 WeakPolarHBondContact O-CB 3.26Å; F1230-A1234 PolarHBondContact O-N 2.82Å
1231E80.3Confident76.9Confident2 Ų264.3 Ų64.31%0.00931%0.31CS..Hα-helixtrans-65.2-47.9176.5-169.3173.9-172.600111.7P1227 L1229 C1233 A1234 M1235 L1392 C1448 V1451P1227-E1231 WeakPolarHBondContact O-CB 3.45Å; P1227-E1231 PolarHBondContact O-N 3.28Å; L1229-E1231 VanDerWaalsContact C-N 3.32Å; E1231-C1233 PolarHBondContact O-N 3.45Å; E1231-A1234 WeakPolarHBondContact O-CB 3.49Å; E1231-A1234 PolarHBondContact O-N 3.28Å; E1231-A1234 VanDerWaalsContact O-N 3.12Å; E1231-M1235 HydrophobicContact CG-CE 4.12Å; E1231-M1235 HydrophobicContact CG-CG 4.46Å; E1231-M1235 WeakPolarHBondContact O-CB 3.33Å; E1231-M1235 WeakPolarHBondContact O-CG 3.49Å; E1231-M1235 PolarHBondContact O-N 3.25Å; E1231-L1392 HydrophobicContact CG-CD2 3.83Å; E1231-L1392 VanDerWaalsContact OE1-CD2 3.24Å; E1231-L1392 WeakPolarHBondContact OE1-CD2 3.42Å; E1231-C1448 WeakPolarHBondContact OE1-CA 3.36Å; E1231-C1448 WeakPolarHBondContact OE1-CB 3Å; E1231-C1448 WeakPolarHBondContact OE2-CA 3.39Å; E1231-C1448 VanDerWaalsContact OE2-CB 3.24Å; E1231-C1448 WeakPolarHBondContact OE2-CB 3Å; E1231-C1448 PolarHBondContact OE2-SG 3.29Å; E1231-V1451 HydrophobicContact CB-CG1 4.32Å; E1231-V1451 HydrophobicContact CG-CB 4.19Å; E1231-V1451 HydrophobicContact CG-CG1 3.83Å
1232L84.6Confident75.4Confident67 Ų6766.7 Ų66.735%0.35132%0.322SS..Hα-helixtrans-59.8-44.3175.5-176.2157.4000111.6A1228 A1234 W1236 V1451 F1455A1228-L1232 WeakPolarHBondContact O-CB 3.45Å; A1228-L1232 PolarHBondContact O-N 3.3Å; L1232-A1234 VanDerWaalsContact C-N 3.29Å; L1232-A1234 PolarHBondContact O-N 3.36Å; L1232-W1236 WeakPolarHBondContact O-CB 3.25Å; L1232-W1236 PolarHBondContact O-N 3.05Å; L1232-V1451 HydrophobicContact CB-CG1 4.27Å; L1232-F1455 HydrophobicContact CB-CE2 4.47Å; L1232-F1455 HydrophobicContact CG-CE2 4.02Å; L1232-F1455 HydrophobicContact CG-CZ 4.12Å
1233C76.2Confident74Confident64 Ų6467 Ų6743%0.43233%0.329SS..Hα-helixtrans-64.3-33175.9-71.40000112.8L1229 E1231 F1237L1229-C1233 WeakPolarHBondContact O-CB 3.43Å; L1229-C1233 PolarHBondContact O-N 3.32Å; L1229-C1233 PolarHBondContact O-SG 3.04Å; E1231-C1233 PolarHBondContact O-N 3.45Å; C1233-F1237 VanDerWaalsContact O-CB 3.27Å; C1233-F1237 WeakPolarHBondContact O-CB 3.41Å; C1233-F1237 PolarHBondContact O-N 2.87Å
1234A72.5Confident72.7Confident10 Ų1069.8 Ų69.88%0.08334%0.343CS..Hα-helixtrans-72.7-51.1176.900000112.2F1230 E1231 L1232 W1236 F1237 V1238 M1388 I1391F1230-A1234 WeakPolarHBondContact O-CB 3.26Å; F1230-A1234 PolarHBondContact O-N 2.82Å; E1231-A1234 WeakPolarHBondContact O-CB 3.49Å; E1231-A1234 PolarHBondContact O-N 3.28Å; E1231-A1234 VanDerWaalsContact O-N 3.12Å; L1232-A1234 VanDerWaalsContact C-N 3.29Å; L1232-A1234 PolarHBondContact O-N 3.36Å; A1234-W1236 VanDerWaalsContact C-N 3.26Å; A1234-W1236 PolarHBondContact O-N 3.4Å; A1234-F1237 PolarHBondContact O-N 3.03Å; A1234-F1237 VanDerWaalsContact O-N 3.1Å; A1234-V1238 PolarHBondContact O-N 3.46Å; A1234-M1388 HydrophobicContact CB-SD 4.14Å; A1234-M1388 WeakPolarHBondContact O-CE 3.43Å; A1234-I1391 HydrophobicContact CB-CB 4.15Å; A1234-I1391 HydrophobicContact CB-CD1 3.64Å; A1234-I1391 HydrophobicContact CB-CG1 4.47Å; A1234-I1391 HydrophobicContact CB-CG2 3.68Å
1235M76.1Confident71.3Confident3 Ų371.6 Ų71.62%0.01535%0.353CS..Hα-helixtrans-54.4-44.6174.6-63.1-72.3174.500110.6E1231 S1239 M1388 L1392 V1451 I1452 F1455 M1457 F1460E1231-M1235 HydrophobicContact CG-CE 4.12Å; E1231-M1235 HydrophobicContact CG-CG 4.46Å; E1231-M1235 WeakPolarHBondContact O-CB 3.33Å; E1231-M1235 WeakPolarHBondContact O-CG 3.49Å; E1231-M1235 PolarHBondContact O-N 3.25Å; M1235-S1239 WeakPolarHBondContact O-CB 3.4Å; M1235-S1239 PolarHBondContact O-N 2.96Å; M1235-S1239 PolarHBondContact O-OG 2.85Å; M1235-M1388 HydrophobicContact CG-CE 4.41Å; M1235-M1388 HydrophobicContact SD-CE 3.83Å; M1235-L1392 HydrophobicContact CE-CD2 4.31Å; M1235-V1451 HydrophobicContact CG-CG1 4.2Å; M1235-I1452 HydrophobicContact CE-CG1 3.75Å; M1235-F1455 HydrophobicContact CB-CB 4.19Å; M1235-F1455 HydrophobicContact CB-CD1 3.76Å; M1235-F1455 HydrophobicContact CB-CD2 3.4Å; M1235-F1455 HydrophobicContact CB-CE1 3.9Å; M1235-F1455 HydrophobicContact CB-CE2 3.55Å; M1235-F1455 HydrophobicContact CB-CG 3.5Å; M1235-F1455 HydrophobicContact CB-CZ 3.8Å; M1235-F1455 HydrophobicContact CG-CD2 3.97Å; M1235-F1455 HydrophobicContact CG-CE2 4.35Å; M1235-F1455 HydrophobicContact CG-CG 4.3Å; M1235-M1457 HydrophobicContact SD-CE 3.5Å; M1235-M1457 WeakPolarHBondContact SD-CE 3.13Å; M1235-M1457 HydrophobicContact SD-CG 4.42Å; M1235-M1457 HydrophobicContact SD-SD 3.83Å; M1235-F1460 HydrophobicContact CE-CD2 4.24Å; M1235-F1460 HydrophobicContact CE-CE2 3.97Å; M1235-F1460 HydrophobicContact SD-CE2 4.49Å
1236W78.9Confident69.8Low131 Ų13174 Ų7450%0.49636%0.36SS..Hα-helixtrans-61.8-48.7173.5-17772.5000112.8L1232 A1234 V1238 S1239 Y1240 F1455L1232-W1236 WeakPolarHBondContact O-CB 3.25Å; L1232-W1236 PolarHBondContact O-N 3.05Å; A1234-W1236 VanDerWaalsContact C-N 3.26Å; A1234-W1236 PolarHBondContact O-N 3.4Å; W1236-V1238 VanDerWaalsContact C-N 3.34Å; W1236-V1238 PolarHBondContact O-N 3.1Å; W1236-S1239 WeakPolarHBondContact CA-OG 3.45Å; W1236-S1239 PolarHBondContact O-N 3.43Å; W1236-S1239 PolarHBondContact O-OG 3.32Å; W1236-Y1240 PolarHBondContact O-N 2.92Å; W1236-F1455 HydrophobicContact CB-CE1 4.01Å; W1236-F1455 HydrophobicContact CB-CZ 4.05Å
1237F68.9Low68.8Low88 Ų8872 Ų7239%0.38635%0.35SS..Hα-helixtrans-60.5-38.7-179.6179.5-99.4000113.2M759 C1233 A1234 Y1240 R1241M759-F1237 HydrophobicContact CE-CZ 4.44Å; C1233-F1237 VanDerWaalsContact O-CB 3.27Å; C1233-F1237 WeakPolarHBondContact O-CB 3.41Å; C1233-F1237 PolarHBondContact O-N 2.87Å; A1234-F1237 PolarHBondContact O-N 3.03Å; A1234-F1237 VanDerWaalsContact O-N 3.1Å; F1237-Y1240 PolarHBondContact O-N 3.47Å; F1237-R1241 PolarHBondContact O-N 3.4Å; F1237-R1241 VanDerWaalsContact O-N 3.08Å
1238V66.7Low68.1Low21 Ų2175.6 Ų75.613%0.12737%0.372CS..Hα-helixtrans-77.4-36175.6173.20000112.1A1234 W1236 Y1240 R1241 M1388A1234-V1238 PolarHBondContact O-N 3.46Å; W1236-V1238 VanDerWaalsContact C-N 3.34Å; W1236-V1238 PolarHBondContact O-N 3.1Å; V1238-Y1240 PolarHBondContact O-N 3.27Å; V1238-Y1240 VanDerWaalsContact O-N 3.16Å; V1238-R1241 WeakPolarHBondContact O-CB 3.13Å; V1238-R1241 PolarHBondContact O-N 3.24Å; V1238-M1388 HydrophobicContact CB-CE 3.52Å; V1238-M1388 HydrophobicContact CB-SD 4.08Å; V1238-M1388 HydrophobicContact CG1-CE 4.14Å; V1238-M1388 HydrophobicContact CG2-CE 3.58Å; V1238-M1388 HydrophobicContact CG2-CG 4.06Å; V1238-M1388 HydrophobicContact CG2-SD 3.4Å; V1238-M1388 WeakPolarHBondContact CG2-SD 3.35Å
1239S69.4Low68Low76 Ų7677.9 Ų77.953%0.53139%0.385SS..Hα-helixtrans-63.4-18171.669.50000114M1235 W1236M1235-S1239 WeakPolarHBondContact O-CB 3.4Å; M1235-S1239 PolarHBondContact O-N 2.96Å; M1235-S1239 PolarHBondContact O-OG 2.85Å; W1236-S1239 WeakPolarHBondContact CA-OG 3.45Å; W1236-S1239 PolarHBondContact O-N 3.43Å; W1236-S1239 PolarHBondContact O-OG 3.32Å
1240Y66.2Low68.2Low136 Ų13674.7 Ų74.753%0.53337%0.368SS..THydrogen-bonded Turntrans-102.2-4.9173.4-156.1-84.8000112.8F760 W1236 F1237 V1238 L1242F760-Y1240 HydrophobicContact CE1-CD1 4.41Å; F760-Y1240 AromaticContact CE1-CE1 3.52Å; F760-Y1240 HydrophobicContact CE1-CE1 3.52Å; F760-Y1240 AromaticContact CZ-CD1 3.83Å; F760-Y1240 HydrophobicContact CZ-CD1 3.83Å; F760-Y1240 AromaticContact CZ-CE1 3.36Å; F760-Y1240 HydrophobicContact CZ-CE1 3.36Å; W1236-Y1240 PolarHBondContact O-N 2.92Å; F1237-Y1240 PolarHBondContact O-N 3.47Å; V1238-Y1240 PolarHBondContact O-N 3.27Å; V1238-Y1240 VanDerWaalsContact O-N 3.16Å; Y1240-L1242 PolarHBondContact O-N 2.87Å; Y1240-L1242 VanDerWaalsContact O-N 3.08Å
1241R61.8Low68.7Low125 Ų12573 Ų7347%0.47237%0.365SS..SBendtrans-68.1112.7173.4-177.6178.5-178.1160.30.4107F1237 V1238 E1243F1237-R1241 PolarHBondContact O-N 3.4Å; F1237-R1241 VanDerWaalsContact O-N 3.08Å; V1238-R1241 WeakPolarHBondContact O-CB 3.13Å; V1238-R1241 PolarHBondContact O-N 3.24Å; R1241-E1243 PolarHBondContact O-N 2.87Å
1242L50.2Low69.2Low135 Ų13572.9 Ų72.971%0.70737%0.365SS*.  trans-46.2129.6-173.6-77.6148.8000111.5Y1240 D1244Y1240-L1242 PolarHBondContact O-N 2.87Å; Y1240-L1242 VanDerWaalsContact O-N 3.08Å; L1242-D1244 WeakPolarHBondContact CB-OD1 3.21Å; L1242-D1244 PolarHBondContact O-N 3.19Å
1243E52.2Low69.3Low160 Ų16070.9 Ų70.975%0.74836%0.356SS*.  trans-74.375.8172-66.3-173.4155.700108.8R1241 D1245 F1246R1241-E1243 PolarHBondContact O-N 2.87Å; E1243-D1245 PolarHBondContact O-N 3.26Å; E1243-F1246 HydrophobicContact CB-CE2 4.45Å
1244D50.9Low69.8Low75 Ų7568.2 Ų68.240%0.40134%0.337SS..THydrogen-bonded Turntrans-6620.8173.5-47.4-42.1000112.2L1242 R1381L1242-D1244 WeakPolarHBondContact CB-OD1 3.21Å; L1242-D1244 PolarHBondContact O-N 3.19Å; D1244-R1381 VanDerWaalsContact C-NH2 3.31Å; D1244-R1381 PolarHBondContact O-NH2 3.25Å
1245D51.7Low70.3Confident62 Ų6271.8 Ų71.833%0.33236%0.361SS..THydrogen-bonded Turntrans-90.5-5.3-168.5-122.7-73000113.6E1243 R1381 R1566E1243-D1245 PolarHBondContact O-N 3.26Å; D1245-R1381 IonicContact OD1-NH1 2.67Å; D1245-R1381 PolarHBondContact OD1-NH1 3.19Å; D1245-R1381 IonicContact OD2-CZ 3.2Å; D1245-R1381 IonicContact OD2-NE 3.52Å; D1245-R1381 IonicContact OD2-NH1 2.73Å; D1245-R1381 PolarHBondContact OD2-NH1 2.79Å; D1245-R1566 IonicContact OD1-NH2 3.81Å
1246F52.2Low70.7Confident140 Ų14072.9 Ų72.961%0.61437%0.367SS*.  trans-120.8107.6-179.9-50.1-71.2000110.5E1243 T1248E1243-F1246 HydrophobicContact CB-CE2 4.45Å; F1246-T1248 PolarHBondContact O-N 2.84Å
1247D58.2Low71.1Confident33 Ų3367.1 Ų67.118%0.17635%0.345CS..  trans-69114.9164.2-55.8-83000107.9P1366 K1368D1247-P1366 HydrophobicContact CB-CG 3.55Å; D1247-K1368 IonicContact OD1-NZ 2.74Å; D1247-K1368 WeakPolarHBondContact OD2-CE 3.36Å; D1247-K1368 IonicContact OD2-NZ 2.76Å; D1247-K1368 PolarHBondContact OD2-NZ 2.82Å
1248T67.6Low71.5Confident78 Ų7868 Ų6848%0.47936%0.36SS..  trans-81.5153.1-177.549.70000111.5T428 F1246 L1250T428-T1248 WeakPolarHBondContact CB-O 3.44Å; T428-T1248 WeakPolarHBondContact CG2-O 3.43Å; T428-T1248 PolarHBondContact OG1-N 3.44Å; T428-T1248 VanDerWaalsContact OG1-N 3.14Å; T428-T1248 PolarHBondContact OG1-O 2.96Å; F1246-T1248 PolarHBondContact O-N 2.84Å; T1248-L1250 PolarHBondContact O-N 3Å
1249V81.6Confident72Confident62 Ų6274.1 Ų74.138%0.37639%0.387SS..  trans-64.8117.2170.8-174.20000108.8L1363 E1365V1249-L1363 HydrophobicContact CG1-CB 3.75Å; V1249-L1363 HydrophobicContact CG1-CD1 4.12Å; V1249-L1363 HydrophobicContact CG1-CD2 4.45Å; V1249-L1363 HydrophobicContact CG1-CG 4.32Å; V1249-E1365 HydrophobicContact CG2-CB 4.3Å; V1249-E1365 HydrophobicContact CG2-CG 3.96Å; V1249-E1365 WeakPolarHBondContact CG2-OE2 3.39Å
1250L87.5Confident72.7Confident16 Ų1670.6 Ų70.68%0.08436%0.363CS..EExtended strand (participates in β ladder)trans-111.3119.5-173.4-168.675.7000112.6T428 T1248 L1252 L1256 H1335 L1363 N1364T428-L1250 HydrophobicContact CG2-CB 3.52Å; T428-L1250 HydrophobicContact CG2-CD2 4.12Å; T428-L1250 HydrophobicContact CG2-CG 4.44Å; T1248-L1250 PolarHBondContact O-N 3Å; L1250-L1252 PolarHBondContact O-N 3.43Å; L1250-L1256 HydrophobicContact CD1-CD2 3.82Å; L1250-L1256 HydrophobicContact CD2-CD1 4.21Å; L1250-L1256 HydrophobicContact CG-CD1 4.43Å; L1250-L1256 HydrophobicContact CG-CD2 4.15Å; L1250-H1335 WeakPolarHBondContact CD2-NE2 3.34Å; L1250-L1363 WeakPolarHBondContact O-CA 3.46Å; L1250-N1364 PolarHBondContact N-O 2.93Å; L1250-N1364 PolarHBondContact O-N 3.44Å
1251P90.1Very high73.6Confident49 Ų4964.3 Ų64.332%0.31834%0.338SS..EExtended strand (participates in β ladder)trans-74.5110.7175.428.1-32.6000112.3S1253 L1256 L1361 L1363P1251-S1253 VanDerWaalsContact C-N 3.3Å; P1251-S1253 PolarHBondContact O-N 3.1Å; P1251-S1253 PolarHBondContact O-OG 2.75Å; P1251-L1256 WeakPolarHBondContact O-CD1 3.31Å; P1251-L1361 HydrophobicContact CB-CD1 3.91Å; P1251-L1361 HydrophobicContact CB-CD2 4.46Å; P1251-L1363 HydrophobicContact CB-CD2 3.84Å
1252L89.5Confident74.8Confident0 Ų058.4 Ų58.40%032%0.316CS..  trans-74.776.9-176.2-59.5171.6000111.5F454 L1250 H1335 M1338 N1342 T1362 N1364F454-L1252 HydrophobicContact CE1-CD1 3.94Å; F454-L1252 HydrophobicContact CZ-CD1 3.92Å; L1250-L1252 PolarHBondContact O-N 3.43Å; L1252-H1335 HydrophobicContact CD2-CB 4.02Å; L1252-M1338 HydrophobicContact CB-CB 4.16Å; L1252-M1338 HydrophobicContact CD1-CB 3.98Å; L1252-M1338 HydrophobicContact CD1-CG 4.25Å; L1252-M1338 HydrophobicContact CD2-CB 4.01Å; L1252-M1338 HydrophobicContact CD2-CG 4.44Å; L1252-M1338 HydrophobicContact CG-CB 4.28Å; L1252-N1342 VanDerWaalsContact O-CB 3.24Å; L1252-N1342 WeakPolarHBondContact O-CB 3.46Å; L1252-T1362 WeakPolarHBondContact CB-O 3.4Å; L1252-T1362 WeakPolarHBondContact CG-O 3.11Å; L1252-T1362 PolarHBondContact N-O 3.13Å; L1252-N1364 HydrophobicContact CD1-CB 4.11Å; L1252-N1364 HydrophobicContact CD2-CB 4.12Å; L1252-N1364 HydrophobicContact CG-CB 4.22Å
1253S87.2Confident76.7Confident24 Ų2452 Ų5217%0.16828%0.283CS..SBendtrans-134.9155.6-173.464.40000111.7P1251 S1255 L1256 A1339P1251-S1253 VanDerWaalsContact C-N 3.3Å; P1251-S1253 PolarHBondContact O-N 3.1Å; P1251-S1253 PolarHBondContact O-OG 2.75Å; S1253-S1255 PolarHBondContact O-N 2.78Å; S1253-S1255 PolarHBondContact OG-OG 2.96Å; S1253-L1256 WeakPolarHBondContact O-CB 3.45Å; S1253-L1256 VanDerWaalsContact O-CG 3.3Å; S1253-L1256 WeakPolarHBondContact O-CG 3.48Å; S1253-L1256 PolarHBondContact O-N 3.47Å; S1253-L1256 VanDerWaalsContact O-N 3.1Å; S1253-A1339 WeakPolarHBondContact O-CB 3.19Å
1254R85.9Confident78.5Confident9 Ų944.4 Ų44.43%0.03425%0.247CC..G310 helixtrans-59-22.2179.9-74.3-171.3-63.2152.10113.4L1256 Y1257 S1283 W1340 D1343R1254-L1256 PolarHBondContact O-N 2.84Å; R1254-L1256 VanDerWaalsContact O-N 3.13Å; R1254-Y1257 PolarHBondContact O-N 3.23Å; R1254-S1283 PolarHBondContact NH1-O 3.37Å; R1254-S1283 PolarHBondContact NH2-O 2.92Å; R1254-S1283 PolarHBondContact NH2-OG 3.37Å; R1254-W1340 HydrophobicContact CG-CD2 3.86Å; R1254-W1340 HydrophobicContact CG-CE3 4Å; R1254-W1340 HydrophobicContact CG-CG 4.31Å; R1254-W1340 HydrophobicContact CG-CH2 4.42Å; R1254-W1340 HydrophobicContact CG-CZ2 4.28Å; R1254-W1340 HydrophobicContact CG-CZ3 4.3Å; R1254-D1343 HydrophobicContact CG-CB 4.22Å; R1254-D1343 VanDerWaalsContact CZ-CG 3.48Å; R1254-D1343 IonicContact CZ-OD1 2.78Å; R1254-D1343 IonicContact CZ-OD2 3.92Å; R1254-D1343 IonicContact NE-OD1 2.74Å; R1254-D1343 PolarHBondContact NE-OD1 3.13Å; R1254-D1343 IonicContact NE-OD2 2.84Å; R1254-D1343 PolarHBondContact NE-OD2 3.3Å; R1254-D1343 VanDerWaalsContact NH2-CG 3.29Å; R1254-D1343 IonicContact NH2-OD1 3.7Å; R1254-D1343 PolarHBondContact NH2-OD1 3.25Å; R1254-D1343 IonicContact NH2-OD2 2.84Å; R1254-D1343 PolarHBondContact NH2-OD2 3.44Å
1255S83.8Confident80.3Confident85 Ų8541 Ų4159%0.59423%0.229SC*.G310 helixtrans-60.2-18175.471.30000114.8S1253 Y1257S1253-S1255 PolarHBondContact O-N 2.78Å; S1253-S1255 PolarHBondContact OG-OG 2.96Å; S1255-Y1257 PolarHBondContact O-N 3.4Å; S1255-Y1257 VanDerWaalsContact O-N 3.16Å
1256L85.1Confident82Confident25 Ų2540 Ų4013%0.13122%0.222CC..G310 helixtrans-59.7-19.8170-65.4176.7000113.5N431 L1250 P1251 S1253 R1254 H1335N431-L1256 PolarHBondContact ND2-O 3.26Å; N431-L1256 VanDerWaalsContact ND2-O 3.13Å; L1250-L1256 HydrophobicContact CD1-CD2 3.82Å; L1250-L1256 HydrophobicContact CD2-CD1 4.21Å; L1250-L1256 HydrophobicContact CG-CD1 4.43Å; L1250-L1256 HydrophobicContact CG-CD2 4.15Å; P1251-L1256 WeakPolarHBondContact O-CD1 3.31Å; S1253-L1256 WeakPolarHBondContact O-CB 3.45Å; S1253-L1256 VanDerWaalsContact O-CG 3.3Å; S1253-L1256 WeakPolarHBondContact O-CG 3.48Å; S1253-L1256 PolarHBondContact O-N 3.47Å; S1253-L1256 VanDerWaalsContact O-N 3.1Å; R1254-L1256 PolarHBondContact O-N 2.84Å; R1254-L1256 VanDerWaalsContact O-N 3.13Å; L1256-H1335 HydrophobicContact CD1-CB 3.89Å
1257Y86.4Confident83.5Confident10 Ų1036.6 Ų36.64%0.03921%0.208CC..SBendtrans-132.190.8-179.7-52.3-79.6000110.1N431 R432 R1254 S1255 T1260 Y1315 G1333 Y1334 H1335 W1340N431-Y1257 HydrophobicContact CB-CE1 4.1Å; N431-Y1257 WeakPolarHBondContact O-CE1 3.39Å; N431-Y1257 PolarHBondContact O-OH 3.18Å; R432-Y1257 HydrophobicContact CB-CE1 4.46Å; R1254-Y1257 PolarHBondContact O-N 3.23Å; S1255-Y1257 PolarHBondContact O-N 3.4Å; S1255-Y1257 VanDerWaalsContact O-N 3.16Å; Y1257-T1260 WeakPolarHBondContact O-CG2 3.23Å; Y1257-Y1315 HydrophobicContact CD1-CD1 4.14Å; Y1257-Y1315 HydrophobicContact CD1-CD2 4.11Å; Y1257-Y1315 HydrophobicContact CD1-CE1 4.18Å; Y1257-Y1315 HydrophobicContact CD1-CE2 4.13Å; Y1257-Y1315 HydrophobicContact CD1-CG 4.11Å; Y1257-Y1315 HydrophobicContact CE1-CD1 4.23Å; Y1257-Y1315 HydrophobicContact CE1-CE1 4.19Å; Y1257-Y1315 HydrophobicContact CG-CD2 4.26Å; Y1257-Y1315 HydrophobicContact CG-CG 4.21Å; Y1257-G1333 WeakPolarHBondContact OH-CA 3.4Å; Y1257-Y1334 PolarHBondContact OH-N 3.46Å; Y1257-H1335 PolarHBondContact OH-N 3.32Å; Y1257-H1335 VanDerWaalsContact OH-N 3.12Å; Y1257-W1340 HydrophobicContact CD2-CH2 4.26Å; Y1257-W1340 AromaticContact CD2-CZ3 3.75Å; Y1257-W1340 HydrophobicContact CD2-CZ3 3.75Å; Y1257-W1340 HydrophobicContact CE2-CZ3 4.35Å
1258P76.7Confident84.7Confident108 Ų10843.4 Ų43.470%0.70123%0.232SC*.THydrogen-bonded Turntrans-73.6154.4178.429.5-35.1000112.7T1260P1258-T1260 VanDerWaalsContact C-N 3.28Å; P1258-T1260 PolarHBondContact O-N 3.05Å
1259Q77.7Confident85Confident149 Ų14942.4 Ų42.470%0.69623%0.231SC*.THydrogen-bonded Turntrans58.430.7176.1-56.6-174.7-6.800115.1
1260T84.4Confident84.8Confident2 Ų241.9 Ų41.91%0.01223%0.228CC..  trans-69.4143.5179.756.30000112.7Y1257 P1258 Q1262 G1288 E1289 R1313 Y1315 W1340Y1257-T1260 WeakPolarHBondContact O-CG2 3.23Å; P1258-T1260 VanDerWaalsContact C-N 3.28Å; P1258-T1260 PolarHBondContact O-N 3.05Å; T1260-Q1262 WeakPolarHBondContact OG1-CG 3.44Å; T1260-Q1262 PolarHBondContact OG1-NE2 3.4Å; T1260-G1288 WeakPolarHBondContact O-CA 3.47Å; T1260-E1289 PolarHBondContact O-N 3.45Å; T1260-R1313 CarbonylContact C-O 3.56Å; T1260-R1313 WeakPolarHBondContact CA-O 3.37Å; T1260-R1313 VanDerWaalsContact CB-O 3.29Å; T1260-R1313 WeakPolarHBondContact CB-O 3.5Å; T1260-Y1315 HydrophobicContact CG2-CD2 3.89Å; T1260-W1340 HydrophobicContact CG2-CH2 3.88Å; T1260-W1340 HydrophobicContact CG2-CZ2 4.27Å
1261A85.9Confident84.2Confident3 Ų345.6 Ų45.63%0.02526%0.256CS..EExtended strand (participates in β ladder)trans-80.5130159.700000109.1E1289 Y1310 R1313A1261-E1289 WeakPolarHBondContact CA-O 3.31Å; A1261-Y1310 HydrophobicContact CB-CD1 3.35Å; A1261-Y1310 HydrophobicContact CB-CE1 3.73Å; A1261-Y1310 HydrophobicContact CB-CG 4.24Å; A1261-R1313 PolarHBondContact N-O 2.91Å
1262Q86.8Confident83.8Confident2 Ų243.7 Ų43.71%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-127.6163.2-177.8-62.1-175.527.700110T1260 E1289 R1291 W1340T1260-Q1262 WeakPolarHBondContact OG1-CG 3.44Å; T1260-Q1262 PolarHBondContact OG1-NE2 3.4Å; Q1262-E1289 PolarHBondContact N-O 3.09Å; Q1262-R1291 PolarHBondContact O-N 3.37Å; Q1262-W1340 HydrophobicContact CG-CZ2 3.98Å
1263F89.3Confident83.3Confident0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-137.5157.8171.666.9-95.7000112.5F613 R1291 F1293 W1302 V1303 G1317 Y1318 W1328F613-F1263 HydrophobicContact CD1-CE1 4.35Å; F613-F1263 AromaticContact CE1-CE1 3.47Å; F613-F1263 HydrophobicContact CE1-CE1 3.47Å; F613-F1263 VanDerWaalsContact CE1-CE1 3.47Å; F613-F1263 AromaticContact CE1-CZ 3.87Å; F613-F1263 HydrophobicContact CE1-CZ 3.87Å; F613-F1263 AromaticContact CZ-CE1 3.98Å; F613-F1263 HydrophobicContact CZ-CE1 3.98Å; F1263-R1291 CarbonylContact C-O 3.58Å; F1263-R1291 WeakPolarHBondContact CA-O 3.26Å; F1263-R1291 WeakPolarHBondContact CB-O 3.35Å; F1263-F1293 HydrophobicContact CB-CD2 4.05Å; F1263-F1293 HydrophobicContact CB-CE2 3.83Å; F1263-W1302 HydrophobicContact CB-CZ3 4.22Å; F1263-W1302 HydrophobicContact CD1-CE3 4.4Å; F1263-W1302 AromaticContact CD1-CZ3 3.89Å; F1263-W1302 HydrophobicContact CD1-CZ3 3.89Å; F1263-W1302 HydrophobicContact CG-CZ3 4.43Å; F1263-V1303 HydrophobicContact CD1-CG2 4.23Å; F1263-V1303 HydrophobicContact CE1-CG2 3.63Å; F1263-V1303 HydrophobicContact CZ-CG2 4.24Å; F1263-G1317 CarbonylContact O-C 3.45Å; F1263-G1317 WeakPolarHBondContact O-CA 3.39Å; F1263-Y1318 PolarHBondContact O-N 3.35Å; F1263-W1328 HydrophobicContact CE2-CB 4.48Å; F1263-W1328 HydrophobicContact CE2-CD2 4.38Å; F1263-W1328 HydrophobicContact CE2-CG 4.11Å; F1263-W1328 HydrophobicContact CZ-CB 3.78Å; F1263-W1328 AromaticContact CZ-CD2 3.93Å; F1263-W1328 HydrophobicContact CZ-CD2 3.93Å; F1263-W1328 HydrophobicContact CZ-CE3 4.37Å; F1263-W1328 AromaticContact CZ-CG 3.72Å; F1263-W1328 HydrophobicContact CZ-CG 3.72Å
1264L90Very high83.1Confident1 Ų148.7 Ų48.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-136.1112.7177.217761.4000108.5Y1277 L1280 R1281 R1291 V1292 F1293 Y1318L1264-Y1277 HydrophobicContact CD1-CD2 4.34Å; L1264-Y1277 HydrophobicContact CD1-CE2 4.44Å; L1264-Y1277 HydrophobicContact CD2-CD2 3.84Å; L1264-Y1277 HydrophobicContact CD2-CE2 3.53Å; L1264-Y1277 HydrophobicContact CG-CD2 4.16Å; L1264-Y1277 HydrophobicContact CG-CE2 3.8Å; L1264-L1280 HydrophobicContact CD1-CB 4.47Å; L1264-R1281 HydrophobicContact CD2-CB 3.91Å; L1264-R1291 PolarHBondContact N-O 2.92Å; L1264-V1292 CarbonylContact O-C 3.58Å; L1264-V1292 VanDerWaalsContact O-CA 3.32Å; L1264-V1292 WeakPolarHBondContact O-CA 3.37Å; L1264-F1293 PolarHBondContact O-N 3.45Å; L1264-Y1318 CarbonylContact C-O 3.05Å; L1264-Y1318 WeakPolarHBondContact CA-O 3.46Å
1265S89.7Confident82.9Confident2 Ų253.6 Ų53.61%0.01429%0.285CS..EExtended strand (participates in β ladder)trans-104.5143.1171.652.10000111.7F1293 S1299 Y1318 G1319 L1320S1265-F1293 WeakPolarHBondContact CA-O 3.24Å; S1265-S1299 PolarHBondContact OG-OG 3.39Å; S1265-Y1318 PolarHBondContact N-O 2.87Å; S1265-Y1318 PolarHBondContact OG-O 3.31Å; S1265-G1319 CarbonylContact O-C 3.57Å; S1265-G1319 WeakPolarHBondContact O-CA 3.27Å; S1265-G1319 VanDerWaalsContact OG-CA 3.22Å; S1265-G1319 WeakPolarHBondContact OG-CA 3.19Å; S1265-L1320 PolarHBondContact O-N 2.72Å
1266H87.1Confident83Confident41 Ų4149.6 Ų49.619%0.1926%0.256CS..EExtended strand (participates in β ladder)trans-145108.9-179.1-175.761.3000110.7Y1277 F1293 L1320H1266-Y1277 HydrophobicContact CB-CD2 3.85Å; H1266-Y1277 HydrophobicContact CB-CE2 3.67Å; H1266-Y1277 AromaticContact CG-CD2 3.89Å; H1266-F1293 PolarHBondContact N-O 2.85Å; H1266-L1320 WeakPolarHBondContact CA-O 3.45Å
1267E83.6Confident83Confident69 Ų6950.6 Ų50.632%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-99.4-43.7-174.3-78.4-170.2-158.100113.9T1295 S1296 L1320 N1321E1267-T1295 HydrophobicContact CG-CG2 4.21Å; E1267-T1295 WeakPolarHBondContact OE1-CB 3.48Å; E1267-S1296 VanDerWaalsContact OE1-CB 3.28Å; E1267-S1296 WeakPolarHBondContact OE1-CB 3.1Å; E1267-S1296 PolarHBondContact OE1-N 3.4Å; E1267-S1296 PolarHBondContact OE1-OG 3.21Å; E1267-L1320 PolarHBondContact N-O 3.37Å; E1267-N1321 HydrophobicContact CB-CB 4.34Å; E1267-N1321 WeakPolarHBondContact CB-OD1 3.46Å; E1267-N1321 PolarHBondContact OE2-ND2 2.81Å
1268R82.1Confident82.9Confident177 Ų17753.3 Ų53.367%0.66828%0.278SS*.EExtended strand (participates in β ladder)trans-139.1121.5-175.7-65.8-179.5-178.8-1741.4109.5N1321 G1322R1268-N1321 WeakPolarHBondContact CD-OD1 3.49Å; R1268-N1321 WeakPolarHBondContact CG-OD1 3.33Å; R1268-G1322 WeakPolarHBondContact O-CA 3.29Å; R1268-G1322 PolarHBondContact O-N 3.15Å
1269A73.8Confident83.1Confident56 Ų5650.6 Ų50.646%0.46326%0.256SS..  trans-76.6141.1172.700000111.3E1274A1269-E1274 HydrophobicContact CB-CB 4.32Å
1270T78.2Confident83.5Confident51 Ų5143.6 Ų43.631%0.31322%0.223SC..  trans-116.4161.615555.20000107.6F1272 S1273 E1274 G1322T1270-F1272 PolarHBondContact O-N 2.97Å; T1270-S1273 PolarHBondContact N-OG 3.34Å; T1270-S1273 PolarHBondContact O-N 2.81Å; T1270-S1273 WeakPolarHBondContact OG1-CB 3.35Å; T1270-S1273 PolarHBondContact OG1-N 2.89Å; T1270-S1273 PolarHBondContact OG1-OG 3.25Å; T1270-S1273 VanDerWaalsContact OG1-OG 3.09Å; T1270-E1274 WeakPolarHBondContact O-CB 3.42Å; T1270-E1274 PolarHBondContact O-N 3.03Å; T1270-G1322 WeakPolarHBondContact CG2-O 3.2Å; T1270-G1322 PolarHBondContact OG1-O 3.36Å
1271S75.9Confident83.4Confident95 Ų9549 Ų4966%0.66424%0.243SC*.THydrogen-bonded Turntrans-54.2-26.7179.751.40000113.9K1275S1271-K1275 WeakPolarHBondContact O-CG 3.41Å
1272F80.3Confident83.2Confident9 Ų952.9 Ų52.94%0.03927%0.266CS..THydrogen-bonded Turntrans-87.1-43.9173.4-172.7-101.4000112.9E602 V603 M606 T1270 E1274 K1275 L1276 L1348 T1352E602-F1272 HydrophobicContact CB-CD2 4.02Å; E602-F1272 HydrophobicContact CB-CE2 4.44Å; E602-F1272 HydrophobicContact CB-CG 4.43Å; V603-F1272 HydrophobicContact CG2-CZ 4.25Å; M606-F1272 HydrophobicContact CG-CD1 4.08Å; M606-F1272 HydrophobicContact CG-CE1 4.27Å; M606-F1272 HydrophobicContact SD-CD1 4.01Å; T1270-F1272 PolarHBondContact O-N 2.97Å; F1272-E1274 VanDerWaalsContact C-N 3.27Å; F1272-E1274 PolarHBondContact O-N 2.69Å; F1272-K1275 WeakPolarHBondContact O-CB 3.32Å; F1272-K1275 PolarHBondContact O-N 3.12Å; F1272-K1275 VanDerWaalsContact O-N 3.13Å; F1272-L1276 PolarHBondContact O-N 2.99Å; F1272-L1276 VanDerWaalsContact O-N 3.11Å; F1272-L1348 HydrophobicContact CE1-CD2 3.52Å; F1272-L1348 HydrophobicContact CZ-CD2 3.8Å; F1272-T1352 HydrophobicContact CE2-CG2 3.91Å; F1272-T1352 HydrophobicContact CZ-CG2 3.94Å
1273S80.5Confident82.7Confident1 Ų153.6 Ų53.61%0.00727%0.272CS..Hα-helixtrans-69.8-23.5179.373.80000113.5T1270 L1276 Y1277 G1322T1270-S1273 PolarHBondContact N-OG 3.34Å; T1270-S1273 PolarHBondContact O-N 2.81Å; T1270-S1273 WeakPolarHBondContact OG1-CB 3.35Å; T1270-S1273 PolarHBondContact OG1-N 2.89Å; T1270-S1273 PolarHBondContact OG1-OG 3.25Å; T1270-S1273 VanDerWaalsContact OG1-OG 3.09Å; S1273-L1276 PolarHBondContact O-N 3.1Å; S1273-Y1277 WeakPolarHBondContact O-CB 3.14Å; S1273-Y1277 PolarHBondContact O-N 3.25Å; S1273-G1322 PolarHBondContact OG-O 2.89Å
1274E81.8Confident82.2Confident128 Ų12853.6 Ų53.660%0.59827%0.272SS*.Hα-helixtrans-70.5-31.8170.4-169168.2-16500112.7A1269 T1270 F1272 P1278A1269-E1274 HydrophobicContact CB-CB 4.32Å; T1270-E1274 WeakPolarHBondContact O-CB 3.42Å; T1270-E1274 PolarHBondContact O-N 3.03Å; F1272-E1274 VanDerWaalsContact C-N 3.27Å; F1272-E1274 PolarHBondContact O-N 2.69Å; E1274-P1278 WeakPolarHBondContact O-CD 3.42Å
1275K82.2Confident81.4Confident112 Ų11258.2 Ų58.249%0.48730%0.296SS..Hα-helixtrans-71.9-35.4170.2-68173.4-177178.40112.1S1271 F1272 P1278 T1351S1271-K1275 WeakPolarHBondContact O-CG 3.41Å; F1272-K1275 WeakPolarHBondContact O-CB 3.32Å; F1272-K1275 PolarHBondContact O-N 3.12Å; F1272-K1275 VanDerWaalsContact O-N 3.13Å; K1275-P1278 WeakPolarHBondContact O-CD 3.46Å; K1275-P1278 WeakPolarHBondContact O-CG 3.2Å; K1275-T1351 HydrophobicContact CB-CG2 4.49Å
1276L85.1Confident80.4Confident0 Ų066 Ų660%033%0.332CS..Hα-helixtrans-78.5-39.3-177.1-175.367.2000114F1272 S1273 Q1279 L1280 L1344 E1347 L1348 T1351F1272-L1276 PolarHBondContact O-N 2.99Å; F1272-L1276 VanDerWaalsContact O-N 3.11Å; S1273-L1276 PolarHBondContact O-N 3.1Å; L1276-Q1279 PolarHBondContact O-N 3.19Å; L1276-L1280 HydrophobicContact CD1-CD1 4.4Å; L1276-L1280 HydrophobicContact CD1-CG 4.4Å; L1276-L1280 HydrophobicContact CD2-CD1 4.09Å; L1276-L1280 HydrophobicContact CG-CD1 3.76Å; L1276-L1280 HydrophobicContact CG-CG 4.23Å; L1276-L1280 PolarHBondContact O-N 3.49Å; L1276-L1280 VanDerWaalsContact O-N 3.07Å; L1276-L1344 HydrophobicContact CD2-CD1 4.27Å; L1276-E1347 HydrophobicContact CD1-CB 3.9Å; L1276-L1348 HydrophobicContact CD1-CD2 4.15Å; L1276-L1348 HydrophobicContact CD1-CG 4.34Å; L1276-L1348 HydrophobicContact CD2-CD2 3.75Å; L1276-L1348 HydrophobicContact CD2-CG 4.38Å; L1276-T1351 HydrophobicContact CB-CG2 4.07Å; L1276-T1351 HydrophobicContact CD1-CG2 3.78Å
1277Y86.1Confident79.3Confident47 Ų4768 Ų6818%0.18434%0.344CS..Hα-helixtrans-51.5-46.6179.9176.9-104.4000115.2L1264 H1266 S1273 R1281 V1292 L1320L1264-Y1277 HydrophobicContact CD1-CD2 4.34Å; L1264-Y1277 HydrophobicContact CD1-CE2 4.44Å; L1264-Y1277 HydrophobicContact CD2-CD2 3.84Å; L1264-Y1277 HydrophobicContact CD2-CE2 3.53Å; L1264-Y1277 HydrophobicContact CG-CD2 4.16Å; L1264-Y1277 HydrophobicContact CG-CE2 3.8Å; H1266-Y1277 HydrophobicContact CB-CD2 3.85Å; H1266-Y1277 HydrophobicContact CB-CE2 3.67Å; H1266-Y1277 AromaticContact CG-CD2 3.89Å; S1273-Y1277 WeakPolarHBondContact O-CB 3.14Å; S1273-Y1277 PolarHBondContact O-N 3.25Å; Y1277-R1281 WeakPolarHBondContact O-CB 3.42Å; Y1277-R1281 PolarHBondContact O-N 2.88Å; Y1277-V1292 WeakPolarHBondContact OH-CG1 3.31Å; Y1277-L1320 HydrophobicContact CD2-CD1 4.42Å
1278P84.2Confident78.6Confident66 Ų6666.4 Ų66.443%0.42935%0.345SS..Hα-helixtrans-66.2-37.2178.624.8-34.3000113.3E1274 K1275 R1281 T1282E1274-P1278 WeakPolarHBondContact O-CD 3.42Å; K1275-P1278 WeakPolarHBondContact O-CD 3.46Å; K1275-P1278 WeakPolarHBondContact O-CG 3.2Å; P1278-R1281 PolarHBondContact O-N 3.3Å; P1278-T1282 PolarHBondContact O-N 2.96Å; P1278-T1282 PolarHBondContact O-OG1 3.49Å
1279Q81.3Confident78.6Confident52 Ų5261.9 Ų61.924%0.24333%0.332CS..Hα-helixtrans-64.7-51.8177-65.7-169.3-1.100110.6L1276 R1281 T1282 S1283 E1347 R1350 T1351L1276-Q1279 PolarHBondContact O-N 3.19Å; Q1279-R1281 PolarHBondContact O-N 3.17Å; Q1279-T1282 PolarHBondContact O-N 3.28Å; Q1279-T1282 PolarHBondContact O-OG1 3.09Å; Q1279-S1283 WeakPolarHBondContact O-CB 3.37Å; Q1279-S1283 PolarHBondContact O-N 3.48Å; Q1279-E1347 PolarHBondContact OE1-O 2.97Å; Q1279-R1350 VanDerWaalsContact OE1-CB 3.3Å; Q1279-T1351 HydrophobicContact CG-CG2 4.33Å
1280L84.3Confident79Confident1 Ų160.3 Ų60.31%0.00532%0.318CS..Hα-helixtrans-54.2-40.4174-78169.7000112.3L1264 L1276 S1283 C1284 Y1318 L1320 L1344 E1347L1264-L1280 HydrophobicContact CD1-CB 4.47Å; L1276-L1280 HydrophobicContact CD1-CD1 4.4Å; L1276-L1280 HydrophobicContact CD1-CG 4.4Å; L1276-L1280 HydrophobicContact CD2-CD1 4.09Å; L1276-L1280 HydrophobicContact CG-CD1 3.76Å; L1276-L1280 HydrophobicContact CG-CG 4.23Å; L1276-L1280 PolarHBondContact O-N 3.49Å; L1276-L1280 VanDerWaalsContact O-N 3.07Å; L1280-S1283 PolarHBondContact O-N 3.18Å; L1280-C1284 WeakPolarHBondContact O-CB 3.22Å; L1280-C1284 PolarHBondContact O-N 2.89Å; L1280-Y1318 HydrophobicContact CD2-CD2 4.01Å; L1280-Y1318 HydrophobicContact CD2-CE1 4.46Å; L1280-Y1318 HydrophobicContact CD2-CE2 3.88Å; L1280-Y1318 HydrophobicContact CD2-CG 4.34Å; L1280-L1320 HydrophobicContact CD1-CD1 4.07Å; L1280-L1344 HydrophobicContact CD1-CD1 4.08Å; L1280-L1344 HydrophobicContact CD2-CD1 4.07Å; L1280-E1347 HydrophobicContact CD2-CB 4.28Å; L1280-E1347 HydrophobicContact CD2-CG 3.91Å; L1280-E1347 HydrophobicContact CG-CB 4.46Å; L1280-E1347 HydrophobicContact CG-CG 4.42Å
1281R84.3Confident79.4Confident117 Ų11761.8 Ų61.844%0.44232%0.317SS..Hα-helixtrans-63.8-50.1177.4-176.2176.5176.5168.31.6112.1L1264 Y1277 P1278 Q1279 S1283 C1284 D1285L1264-R1281 HydrophobicContact CD2-CB 3.91Å; Y1277-R1281 WeakPolarHBondContact O-CB 3.42Å; Y1277-R1281 PolarHBondContact O-N 2.88Å; P1278-R1281 PolarHBondContact O-N 3.3Å; Q1279-R1281 PolarHBondContact O-N 3.17Å; R1281-S1283 VanDerWaalsContact C-N 3.25Å; R1281-S1283 PolarHBondContact O-N 3.27Å; R1281-C1284 WeakPolarHBondContact O-CB 3.43Å; R1281-C1284 PolarHBondContact O-N 3.32Å; R1281-D1285 PolarHBondContact O-N 3.16Å
1282T81.4Confident80Confident83 Ų8360 Ų6051%0.50930%0.302SS..Hα-helixtrans-59.8-39175.645.80000111.9P1278 Q1279 C1284 D1285 H1286P1278-T1282 PolarHBondContact O-N 2.96Å; P1278-T1282 PolarHBondContact O-OG1 3.49Å; Q1279-T1282 PolarHBondContact O-N 3.28Å; Q1279-T1282 PolarHBondContact O-OG1 3.09Å; T1282-C1284 PolarHBondContact O-N 3.28Å; T1282-D1285 PolarHBondContact O-N 3.31Å; T1282-H1286 PolarHBondContact O-CD2 3.42Å
1283S76.6Confident80.4Confident17 Ų1761 Ų6112%0.11931%0.306CS..Hα-helixtrans-69.2-17.3177.5-156.70000113.5R1254 Q1279 L1280 R1281 E1347R1254-S1283 PolarHBondContact NH1-O 3.37Å; R1254-S1283 PolarHBondContact NH2-O 2.92Å; R1254-S1283 PolarHBondContact NH2-OG 3.37Å; Q1279-S1283 WeakPolarHBondContact O-CB 3.37Å; Q1279-S1283 PolarHBondContact O-N 3.48Å; L1280-S1283 PolarHBondContact O-N 3.18Å; R1281-S1283 VanDerWaalsContact C-N 3.25Å; R1281-S1283 PolarHBondContact O-N 3.27Å; S1283-E1347 WeakPolarHBondContact CB-OE1 3.46Å; S1283-E1347 PolarHBondContact OG-OE1 3.23Å
1284C78.5Confident80.7Confident1 Ų166.7 Ų66.71%0.00734%0.337CS..Hα-helixtrans-84.9-42.7176.3-161.60000112L1280 R1281 T1282 H1286 C1290L1280-C1284 WeakPolarHBondContact O-CB 3.22Å; L1280-C1284 PolarHBondContact O-N 2.89Å; R1281-C1284 WeakPolarHBondContact O-CB 3.43Å; R1281-C1284 PolarHBondContact O-N 3.32Å; T1282-C1284 PolarHBondContact O-N 3.28Å; C1284-H1286 VanDerWaalsContact C-N 3.32Å; C1284-H1286 PolarHBondContact O-N 3.49Å; C1284-C1290 HydrophobicContact CB-CB 3.81Å; C1284-C1290 WeakPolarHBondContact CB-SG 3.39Å; C1284-C1290 WeakPolarHBondContact SG-CB 3.4Å; C1284-C1290 CovalentContact SG-SG 2.03Å; C1284-C1290 PolarHBondContact SG-SG 2.85Å
1285D71.7Confident81Confident97 Ų9762.7 Ų62.752%0.51932%0.321SS..Hα-helixtrans-69.9-23-176-70.7-26.3000113.6R1281 T1282 L1287 C1290R1281-D1285 PolarHBondContact O-N 3.16Å; T1282-D1285 PolarHBondContact O-N 3.31Å; D1285-L1287 PolarHBondContact O-N 3.31Å; D1285-C1290 WeakPolarHBondContact OD1-CB 3.3Å
1286H68.8Low81.2Confident165 Ų16557.4 Ų57.476%0.76430%0.299SS*.THydrogen-bonded Turntrans-75-18.1-176.7-86.7-64.3000115.8T1282 C1284T1282-H1286 PolarHBondContact O-CD2 3.42Å; C1284-H1286 VanDerWaalsContact C-N 3.32Å; C1284-H1286 PolarHBondContact O-N 3.49Å
1287L64Low81.4Confident85 Ų8562.1 Ų62.145%0.44532%0.32SS..THydrogen-bonded Turntrans-123.7-6.9-166.1-74.3167.1000115.6D1285D1285-L1287 PolarHBondContact O-N 3.31Å
1288G70.3Confident81.6Confident34 Ų3464.3 Ų64.335%0.35133%0.333SS..SBendtrans174.2-158-179.700000114.7T1260 C1290T1260-G1288 WeakPolarHBondContact O-CA 3.47Å; G1288-C1290 PolarHBondContact O-N 2.89Å
1289E80.4Confident81.8Confident82 Ų8261.2 Ų61.238%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-82.1106.6175-172.3-172.6158.800109.4T1260 A1261 Q1262 R1291 Y1310T1260-E1289 PolarHBondContact O-N 3.45Å; A1261-E1289 WeakPolarHBondContact CA-O 3.31Å; Q1262-E1289 PolarHBondContact N-O 3.09Å; E1289-R1291 IonicContact OE1-CZ 3.74Å; E1289-R1291 IonicContact OE1-NE 2.76Å; E1289-R1291 PolarHBondContact OE1-NE 3.18Å; E1289-R1291 IonicContact OE1-NH2 2.69Å; E1289-R1291 PolarHBondContact OE1-NH2 2.89Å; E1289-Y1310 VanDerWaalsContact CD-OH 3.27Å; E1289-Y1310 PolarHBondContact OE1-OH 3.45Å; E1289-Y1310 VanDerWaalsContact OE2-CE1 3.26Å; E1289-Y1310 WeakPolarHBondContact OE2-CE1 3.42Å; E1289-Y1310 PolarHBondContact OE2-OH 3.41Å
1290C83.1Confident82.3Confident24 Ų2458.7 Ų58.716%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-92.3132.7172.7-164.10000111.5C1284 D1285 G1288C1284-C1290 HydrophobicContact CB-CB 3.81Å; C1284-C1290 WeakPolarHBondContact CB-SG 3.39Å; C1284-C1290 WeakPolarHBondContact SG-CB 3.4Å; C1284-C1290 CovalentContact SG-SG 2.03Å; C1284-C1290 PolarHBondContact SG-SG 2.85Å; D1285-C1290 WeakPolarHBondContact OD1-CB 3.3Å; G1288-C1290 PolarHBondContact O-N 2.89Å
1291R87.4Confident82.6Confident82 Ų8261.2 Ų61.231%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-117.3125.7170.5-66.5-167.1179.9-165.60.7112Q1262 F1263 L1264 E1289 F1293 W1302 Y1310Q1262-R1291 PolarHBondContact O-N 3.37Å; F1263-R1291 CarbonylContact C-O 3.58Å; F1263-R1291 WeakPolarHBondContact CA-O 3.26Å; F1263-R1291 WeakPolarHBondContact CB-O 3.35Å; L1264-R1291 PolarHBondContact N-O 2.92Å; E1289-R1291 IonicContact OE1-CZ 3.74Å; E1289-R1291 IonicContact OE1-NE 2.76Å; E1289-R1291 PolarHBondContact OE1-NE 3.18Å; E1289-R1291 IonicContact OE1-NH2 2.69Å; E1289-R1291 PolarHBondContact OE1-NH2 2.89Å; R1291-F1293 HydrophobicContact CB-CE2 3.71Å; R1291-F1293 HydrophobicContact CB-CZ 4.01Å; R1291-W1302 VanDerWaalsContact NH1-NE1 3.15Å; R1291-Y1310 PolarHBondContact NH2-OH 3.03Å
1292V86.8Confident82.9Confident56 Ų5657 Ų5734%0.33930%0.298SS..EExtended strand (participates in β ladder)trans-95.3134.7178.2-179.70000110L1264 Y1277L1264-V1292 CarbonylContact O-C 3.58Å; L1264-V1292 VanDerWaalsContact O-CA 3.32Å; L1264-V1292 WeakPolarHBondContact O-CA 3.37Å; Y1277-V1292 WeakPolarHBondContact OH-CG1 3.31Å
1293F89.6Confident83.3Confident30 Ų3053 Ų5313%0.13227%0.274CS..EExtended strand (participates in β ladder)trans-127.8145179-64.2-80.7000111.8F1263 L1264 S1265 H1266 R1291 T1295 Q1298 W1302F1263-F1293 HydrophobicContact CB-CD2 4.05Å; F1263-F1293 HydrophobicContact CB-CE2 3.83Å; L1264-F1293 PolarHBondContact O-N 3.45Å; S1265-F1293 WeakPolarHBondContact CA-O 3.24Å; H1266-F1293 PolarHBondContact N-O 2.85Å; R1291-F1293 HydrophobicContact CB-CE2 3.71Å; R1291-F1293 HydrophobicContact CB-CZ 4.01Å; F1293-T1295 VanDerWaalsContact C-N 3.34Å; F1293-Q1298 HydrophobicContact CB-CB 4.21Å; F1293-Q1298 HydrophobicContact CD1-CB 3.83Å; F1293-Q1298 HydrophobicContact CG-CB 4.35Å; F1293-W1302 HydrophobicContact CE1-CB 3.92Å; F1293-W1302 HydrophobicContact CE1-CG 4.15Å; F1293-W1302 HydrophobicContact CE2-CB 4.48Å; F1293-W1302 HydrophobicContact CE2-CD2 4.13Å; F1293-W1302 AromaticContact CE2-CE3 3.88Å; F1293-W1302 HydrophobicContact CE2-CE3 3.88Å; F1293-W1302 HydrophobicContact CE2-CG 4.38Å; F1293-W1302 HydrophobicContact CZ-CB 3.64Å; F1293-W1302 AromaticContact CZ-CD2 3.64Å; F1293-W1302 HydrophobicContact CZ-CD2 3.64Å; F1293-W1302 AromaticContact CZ-CE3 3.88Å; F1293-W1302 HydrophobicContact CZ-CE3 3.88Å; F1293-W1302 AromaticContact CZ-CG 3.5Å; F1293-W1302 HydrophobicContact CZ-CG 3.5Å
1294N87.5Confident83.8Confident121 Ų12153.5 Ų53.565%0.64728%0.275SS*.SBendtrans-82.2-14.4179-68.310.2000112.7
1295T87.5Confident84.3Confident44 Ų4460.2 Ų60.227%0.2731%0.311SS..SBendtrans-138.9152.8171.367.60000112.8E1267 F1293 Q1297 Q1298 S1299E1267-T1295 HydrophobicContact CG-CG2 4.21Å; E1267-T1295 WeakPolarHBondContact OE1-CB 3.48Å; F1293-T1295 VanDerWaalsContact C-N 3.34Å; T1295-Q1297 VanDerWaalsContact C-N 3.26Å; T1295-Q1297 PolarHBondContact O-N 2.99Å; T1295-Q1298 PolarHBondContact O-N 2.92Å; T1295-Q1298 VanDerWaalsContact OG1-CG 3.31Å; T1295-Q1298 WeakPolarHBondContact OG1-CG 3.13Å; T1295-Q1298 PolarHBondContact OG1-N 2.83Å; T1295-Q1298 VanDerWaalsContact OG1-N 3.09Å; T1295-S1299 PolarHBondContact O-N 2.96Å
1296S86.2Confident85.1Confident2 Ų255.9 Ų55.91%0.01429%0.288CS..Hα-helixtrans-58.6-40.1170.967.60000110.7Y91 E93 E1267 Q1298 S1299 Y1300Y91-S1296 WeakPolarHBondContact CE1-OG 3.46Å; Y91-S1296 VanDerWaalsContact OH-CB 3.23Å; Y91-S1296 WeakPolarHBondContact OH-CB 3.25Å; Y91-S1296 PolarHBondContact OH-OG 3.3Å; E93-S1296 WeakPolarHBondContact OE1-CB 3.22Å; E93-S1296 PolarHBondContact OE1-OG 2.78Å; E1267-S1296 VanDerWaalsContact OE1-CB 3.28Å; E1267-S1296 WeakPolarHBondContact OE1-CB 3.1Å; E1267-S1296 PolarHBondContact OE1-N 3.4Å; E1267-S1296 PolarHBondContact OE1-OG 3.21Å; S1296-Q1298 PolarHBondContact O-N 2.86Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1296-S1299 VanDerWaalsContact O-N 3.12Å; S1296-S1299 PolarHBondContact O-OG 3.02Å; S1296-Y1300 PolarHBondContact O-N 2.9Å
1297Q88.9Confident85.8Confident98 Ų9849.1 Ų49.146%0.45826%0.256SS..Hα-helixtrans-59.7-42.9174.6-171.2-177.1-8.400112.4Y91 T1295 S1299 Y1300 D1301Y91-Q1297 HydrophobicContact CD1-CB 3.66Å; Y91-Q1297 HydrophobicContact CD1-CG 3.75Å; Y91-Q1297 HydrophobicContact CE1-CB 3.75Å; Y91-Q1297 HydrophobicContact CE1-CG 4.33Å; Y91-Q1297 HydrophobicContact CG-CB 4.48Å; Y91-Q1297 HydrophobicContact CG-CG 4.18Å; T1295-Q1297 VanDerWaalsContact C-N 3.26Å; T1295-Q1297 PolarHBondContact O-N 2.99Å; Q1297-S1299 VanDerWaalsContact C-N 3.29Å; Q1297-S1299 PolarHBondContact O-N 3.25Å; Q1297-Y1300 WeakPolarHBondContact O-CB 3.28Å; Q1297-Y1300 PolarHBondContact O-N 2.87Å; Q1297-Y1300 VanDerWaalsContact O-N 3.14Å; Q1297-D1301 PolarHBondContact O-N 3.5Å
1298Q90.8Very high86.4Confident94 Ų9448.5 Ų48.544%0.43927%0.27SS..Hα-helixtrans-62.1-37.4175.5-76.6171.35.900111.9F1293 T1295 S1296 W1302F1293-Q1298 HydrophobicContact CB-CB 4.21Å; F1293-Q1298 HydrophobicContact CD1-CB 3.83Å; F1293-Q1298 HydrophobicContact CG-CB 4.35Å; T1295-Q1298 PolarHBondContact O-N 2.92Å; T1295-Q1298 VanDerWaalsContact OG1-CG 3.31Å; T1295-Q1298 WeakPolarHBondContact OG1-CG 3.13Å; T1295-Q1298 PolarHBondContact OG1-N 2.83Å; T1295-Q1298 VanDerWaalsContact OG1-N 3.09Å; S1296-Q1298 PolarHBondContact O-N 2.86Å; Q1298-W1302 VanDerWaalsContact O-CB 3.26Å; Q1298-W1302 WeakPolarHBondContact O-CB 3.45Å; Q1298-W1302 PolarHBondContact O-N 2.99Å
1299S89.3Confident86.9Confident0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-68.7-36.3173.562.10000112.8S1265 T1295 S1296 Q1297 W1302 V1303S1265-S1299 PolarHBondContact OG-OG 3.39Å; T1295-S1299 PolarHBondContact O-N 2.96Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1296-S1299 VanDerWaalsContact O-N 3.12Å; S1296-S1299 PolarHBondContact O-OG 3.02Å; Q1297-S1299 VanDerWaalsContact C-N 3.29Å; Q1297-S1299 PolarHBondContact O-N 3.25Å; S1299-W1302 PolarHBondContact O-N 3.48Å; S1299-V1303 WeakPolarHBondContact O-CB 3.41Å; S1299-V1303 VanDerWaalsContact O-CG2 3.22Å; S1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; S1299-V1303 PolarHBondContact O-N 3.5Å
1300Y91Very high86.9Confident0 Ų050.7 Ų50.70%027%0.27CS..Hα-helixtrans-64.2-52174.8176.4-89.8000112.1Q58 A88 Y91 P614 S1296 Q1297 W1302 V1303 L1304 W1328Q58-Y1300 HydrophobicContact CB-CE2 4.03Å; A88-Y1300 VanDerWaalsContact CA-OH 3.27Å; A88-Y1300 WeakPolarHBondContact CA-OH 3.28Å; A88-Y1300 WeakPolarHBondContact CB-OH 3.5Å; A88-Y1300 PolarHBondContact O-OH 3.06Å; Y91-Y1300 AromaticContact CD2-CD1 3.63Å; Y91-Y1300 HydrophobicContact CD2-CD1 3.63Å; Y91-Y1300 AromaticContact CD2-CD2 3.41Å; Y91-Y1300 HydrophobicContact CD2-CD2 3.41Å; Y91-Y1300 VanDerWaalsContact CD2-CD2 3.41Å; Y91-Y1300 AromaticContact CD2-CE1 3.93Å; Y91-Y1300 HydrophobicContact CD2-CE1 3.93Å; Y91-Y1300 AromaticContact CD2-CE2 3.72Å; Y91-Y1300 HydrophobicContact CD2-CE2 3.72Å; Y91-Y1300 AromaticContact CD2-CG 3.36Å; Y91-Y1300 HydrophobicContact CD2-CG 3.36Å; Y91-Y1300 AromaticContact CD2-CZ 3.98Å; Y91-Y1300 HydrophobicContact CE2-CD1 4.26Å; Y91-Y1300 AromaticContact CE2-CD2 3.42Å; Y91-Y1300 HydrophobicContact CE2-CD2 3.42Å; Y91-Y1300 VanDerWaalsContact CE2-CD2 3.42Å; Y91-Y1300 HydrophobicContact CE2-CE2 4.08Å; Y91-Y1300 AromaticContact CE2-CG 3.53Å; Y91-Y1300 HydrophobicContact CE2-CG 3.53Å; Y91-Y1300 HydrophobicContact CG-CD1 4.2Å; Y91-Y1300 HydrophobicContact CG-CG 4.27Å; P614-Y1300 HydrophobicContact CB-CD2 4.18Å; P614-Y1300 HydrophobicContact CB-CE2 3.51Å; P614-Y1300 HydrophobicContact CG-CD2 3.63Å; P614-Y1300 HydrophobicContact CG-CE2 3.5Å; P614-Y1300 VanDerWaalsContact CG-CE2 3.5Å; P614-Y1300 HydrophobicContact CG-CG 4.41Å; S1296-Y1300 PolarHBondContact O-N 2.9Å; Q1297-Y1300 WeakPolarHBondContact O-CB 3.28Å; Q1297-Y1300 PolarHBondContact O-N 2.87Å; Q1297-Y1300 VanDerWaalsContact O-N 3.14Å; Y1300-W1302 VanDerWaalsContact C-N 3.28Å; Y1300-W1302 PolarHBondContact O-N 3.44Å; Y1300-V1303 PolarHBondContact O-N 3.42Å; Y1300-V1303 VanDerWaalsContact O-N 3.08Å; Y1300-L1304 HydrophobicContact CD1-CD1 4.22Å; Y1300-L1304 HydrophobicContact CE1-CD1 3.58Å; Y1300-L1304 PolarHBondContact O-N 3.07Å; Y1300-W1328 HydrophobicContact CD2-CH2 4.05Å; Y1300-W1328 HydrophobicContact CD2-CZ3 4.11Å
1301D90.5Very high86.5Confident53 Ų5351 Ų5128%0.28327%0.272SS..Hα-helixtrans-62.6-37.2177.6-70.7-29.8000110.7Q1297 N1305Q1297-D1301 PolarHBondContact O-N 3.5Å; D1301-N1305 WeakPolarHBondContact O-CB 3.41Å; D1301-N1305 PolarHBondContact O-N 3.31Å; D1301-N1305 PolarHBondContact O-ND2 3.14Å
1302W90.5Very high86Confident29 Ų2952.5 Ų52.511%0.1128%0.283CS..Hα-helixtrans-65.1-43.2171.317671.2000112.3F1263 R1291 F1293 Q1298 S1299 Y1300 L1304 N1305 S1306 Y1310F1263-W1302 HydrophobicContact CB-CZ3 4.22Å; F1263-W1302 HydrophobicContact CD1-CE3 4.4Å; F1263-W1302 AromaticContact CD1-CZ3 3.89Å; F1263-W1302 HydrophobicContact CD1-CZ3 3.89Å; F1263-W1302 HydrophobicContact CG-CZ3 4.43Å; R1291-W1302 VanDerWaalsContact NH1-NE1 3.15Å; F1293-W1302 HydrophobicContact CE1-CB 3.92Å; F1293-W1302 HydrophobicContact CE1-CG 4.15Å; F1293-W1302 HydrophobicContact CE2-CB 4.48Å; F1293-W1302 HydrophobicContact CE2-CD2 4.13Å; F1293-W1302 AromaticContact CE2-CE3 3.88Å; F1293-W1302 HydrophobicContact CE2-CE3 3.88Å; F1293-W1302 HydrophobicContact CE2-CG 4.38Å; F1293-W1302 HydrophobicContact CZ-CB 3.64Å; F1293-W1302 AromaticContact CZ-CD2 3.64Å; F1293-W1302 HydrophobicContact CZ-CD2 3.64Å; F1293-W1302 AromaticContact CZ-CE3 3.88Å; F1293-W1302 HydrophobicContact CZ-CE3 3.88Å; F1293-W1302 AromaticContact CZ-CG 3.5Å; F1293-W1302 HydrophobicContact CZ-CG 3.5Å; Q1298-W1302 VanDerWaalsContact O-CB 3.26Å; Q1298-W1302 WeakPolarHBondContact O-CB 3.45Å; Q1298-W1302 PolarHBondContact O-N 2.99Å; S1299-W1302 PolarHBondContact O-N 3.48Å; Y1300-W1302 VanDerWaalsContact C-N 3.28Å; Y1300-W1302 PolarHBondContact O-N 3.44Å; W1302-L1304 VanDerWaalsContact C-N 3.34Å; W1302-L1304 PolarHBondContact O-N 2.9Å; W1302-N1305 PolarHBondContact O-N 3.14Å; W1302-S1306 VanDerWaalsContact CE2-OG 3.24Å; W1302-S1306 PolarHBondContact NE1-OG 2.9Å; W1302-S1306 VanDerWaalsContact O-CB 3.29Å; W1302-S1306 WeakPolarHBondContact O-CB 3.2Å; W1302-S1306 PolarHBondContact O-N 3.34Å; W1302-S1306 PolarHBondContact O-OG 3.37Å; W1302-Y1310 HydrophobicContact CH2-CD2 4.48Å; W1302-Y1310 AromaticContact CZ2-CD2 3.8Å; W1302-Y1310 HydrophobicContact CZ2-CD2 3.8Å; W1302-Y1310 AromaticContact CZ2-CE2 3.82Å; W1302-Y1310 HydrophobicContact CZ2-CE2 3.82Å; W1302-Y1310 HydrophobicContact CZ2-CG 4.37Å
1303V89.3Confident85.8Confident0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-59.3-44.2179.6164.30000111.3F613 P614 F1263 S1299 Y1300 W1307 R1314F613-V1303 HydrophobicContact CB-CG1 4.11Å; F613-V1303 HydrophobicContact CD1-CG1 4.42Å; F613-V1303 HydrophobicContact CG-CG1 4.21Å; P614-V1303 HydrophobicContact CG-CB 4.5Å; P614-V1303 HydrophobicContact CG-CG1 3.9Å; F1263-V1303 HydrophobicContact CD1-CG2 4.23Å; F1263-V1303 HydrophobicContact CE1-CG2 3.63Å; F1263-V1303 HydrophobicContact CZ-CG2 4.24Å; S1299-V1303 WeakPolarHBondContact O-CB 3.41Å; S1299-V1303 VanDerWaalsContact O-CG2 3.22Å; S1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; S1299-V1303 PolarHBondContact O-N 3.5Å; Y1300-V1303 PolarHBondContact O-N 3.42Å; Y1300-V1303 VanDerWaalsContact O-N 3.08Å; V1303-W1307 PolarHBondContact O-N 2.97Å; V1303-R1314 PolarHBondContact O-NH2 3.05Å
1304L88.4Confident85.7Confident26 Ų2655.6 Ų55.614%0.13629%0.288CS..Hα-helixtrans-65.8-56.5174.5-77.7172.9000112.2A88 P614 P616 Y1300 W1302 S1306 W1307A88-L1304 HydrophobicContact CB-CD1 4.27Å; P614-L1304 HydrophobicContact CB-CD1 4.42Å; P614-L1304 HydrophobicContact CB-CD2 3.95Å; P614-L1304 HydrophobicContact CB-CG 4.1Å; P614-L1304 HydrophobicContact CG-CD2 4.19Å; P614-L1304 HydrophobicContact CG-CG 3.92Å; P616-L1304 HydrophobicContact CB-CD2 4.44Å; Y1300-L1304 HydrophobicContact CD1-CD1 4.22Å; Y1300-L1304 HydrophobicContact CE1-CD1 3.58Å; Y1300-L1304 PolarHBondContact O-N 3.07Å; W1302-L1304 VanDerWaalsContact C-N 3.34Å; W1302-L1304 PolarHBondContact O-N 2.9Å; L1304-S1306 VanDerWaalsContact C-N 3.34Å; L1304-S1306 PolarHBondContact O-N 3.31Å; L1304-W1307 WeakPolarHBondContact O-CB 3.47Å; L1304-W1307 PolarHBondContact O-N 2.9Å
1305N88.7Confident85.8Confident142 Ų14250.3 Ų50.376%0.75926%0.259SS*.Hα-helixtrans-68-29.6-171.8-73.7-69.5000113.8D1301 W1302D1301-N1305 WeakPolarHBondContact O-CB 3.41Å; D1301-N1305 PolarHBondContact O-N 3.31Å; D1301-N1305 PolarHBondContact O-ND2 3.14Å; W1302-N1305 PolarHBondContact O-N 3.14Å
1306S87.9Confident85.9Confident7 Ų748.2 Ų48.25%0.04925%0.246CC..THydrogen-bonded Turntrans-96.110.917969.50000114.2W1302 L1304 G1308 E1309 Y1310 R1314W1302-S1306 VanDerWaalsContact CE2-OG 3.24Å; W1302-S1306 PolarHBondContact NE1-OG 2.9Å; W1302-S1306 VanDerWaalsContact O-CB 3.29Å; W1302-S1306 WeakPolarHBondContact O-CB 3.2Å; W1302-S1306 PolarHBondContact O-N 3.34Å; W1302-S1306 PolarHBondContact O-OG 3.37Å; L1304-S1306 VanDerWaalsContact C-N 3.34Å; L1304-S1306 PolarHBondContact O-N 3.31Å; S1306-G1308 VanDerWaalsContact C-N 3.28Å; S1306-G1308 PolarHBondContact O-N 3.23Å; S1306-E1309 PolarHBondContact O-N 3.29Å; S1306-Y1310 PolarHBondContact O-N 3.14Å; S1306-R1314 PolarHBondContact OG-NH1 3.19Å
1307W83.1Confident86.1Confident22 Ų2248.1 Ų48.18%0.08325%0.245CC..Hα-helixtrans-52.7-42.7-173.4-178-93.7000113.6W436 Y615 P616 V1303 L1304 E1309 Y1310 S1311 R1314W436-W1307 HydrophobicContact CH2-CZ2 4.13Å; W436-W1307 AromaticContact CH2-NE1 3.7Å; W436-W1307 AromaticContact CZ2-CE2 4Å; W436-W1307 AromaticContact CZ2-CZ2 3.62Å; W436-W1307 HydrophobicContact CZ2-CZ2 3.62Å; W436-W1307 AromaticContact CZ2-NE1 3.86Å; Y615-W1307 AromaticContact CD2-CH2 3.75Å; Y615-W1307 HydrophobicContact CD2-CH2 3.75Å; Y615-W1307 AromaticContact CD2-CZ2 3.8Å; Y615-W1307 HydrophobicContact CD2-CZ2 3.8Å; Y615-W1307 HydrophobicContact CD2-CZ3 4.38Å; Y615-W1307 AromaticContact CE2-CE2 3.93Å; Y615-W1307 AromaticContact CE2-CH2 3.6Å; Y615-W1307 HydrophobicContact CE2-CH2 3.6Å; Y615-W1307 AromaticContact CE2-CZ2 3.2Å; Y615-W1307 HydrophobicContact CE2-CZ2 3.2Å; Y615-W1307 AromaticContact CZ-CZ2 3.79Å; P616-W1307 HydrophobicContact CG-CB 4.02Å; P616-W1307 HydrophobicContact CG-CD2 4.06Å; P616-W1307 HydrophobicContact CG-CG 3.61Å; V1303-W1307 PolarHBondContact O-N 2.97Å; L1304-W1307 WeakPolarHBondContact O-CB 3.47Å; L1304-W1307 PolarHBondContact O-N 2.9Å; W1307-E1309 VanDerWaalsContact C-N 3.3Å; W1307-E1309 PolarHBondContact O-N 2.88Å; W1307-Y1310 PolarHBondContact O-N 2.66Å; W1307-S1311 WeakPolarHBondContact O-CB 3.43Å; W1307-S1311 PolarHBondContact O-N 3.11Å; W1307-R1314 VanDerWaalsContact CE3-NH2 3.34Å
1308G76.9Confident86.2Confident72 Ų7243.5 Ų43.574%0.74222%0.224SC*.Hα-helixtrans-67.1-23.1179.300000115.1S1306S1306-G1308 VanDerWaalsContact C-N 3.28Å; S1306-G1308 PolarHBondContact O-N 3.23Å
1309E80.2Confident86.2Confident139 Ų13939 Ų3965%0.6520%0.203SC*.Hα-helixtrans-83.7-29.3179.9-62.4-177.1150.200112.5S1306 W1307S1306-E1309 PolarHBondContact O-N 3.29Å; W1307-E1309 VanDerWaalsContact C-N 3.3Å; W1307-E1309 PolarHBondContact O-N 2.88Å
1310Y81.2Confident86.2Confident24 Ų2439.2 Ų39.29%0.09420%0.204CC..Hα-helixtrans-124.45.9-166.7-66.9-76.5000115.1A1261 E1289 R1291 W1302 S1306 W1307 E1312 R1313 R1314A1261-Y1310 HydrophobicContact CB-CD1 3.35Å; A1261-Y1310 HydrophobicContact CB-CE1 3.73Å; A1261-Y1310 HydrophobicContact CB-CG 4.24Å; E1289-Y1310 VanDerWaalsContact CD-OH 3.27Å; E1289-Y1310 PolarHBondContact OE1-OH 3.45Å; E1289-Y1310 VanDerWaalsContact OE2-CE1 3.26Å; E1289-Y1310 WeakPolarHBondContact OE2-CE1 3.42Å; E1289-Y1310 PolarHBondContact OE2-OH 3.41Å; R1291-Y1310 PolarHBondContact NH2-OH 3.03Å; W1302-Y1310 HydrophobicContact CH2-CD2 4.48Å; W1302-Y1310 AromaticContact CZ2-CD2 3.8Å; W1302-Y1310 HydrophobicContact CZ2-CD2 3.8Å; W1302-Y1310 AromaticContact CZ2-CE2 3.82Å; W1302-Y1310 HydrophobicContact CZ2-CE2 3.82Å; W1302-Y1310 HydrophobicContact CZ2-CG 4.37Å; S1306-Y1310 PolarHBondContact O-N 3.14Å; W1307-Y1310 PolarHBondContact O-N 2.66Å; Y1310-E1312 VanDerWaalsContact C-N 3.31Å; Y1310-E1312 PolarHBondContact O-N 2.97Å; Y1310-E1312 VanDerWaalsContact O-N 3.14Å; Y1310-R1313 PolarHBondContact O-N 3.02Å; Y1310-R1314 WeakPolarHBondContact O-CB 3.31Å; Y1310-R1314 PolarHBondContact O-N 2.9Å
1311S75.5Confident86Confident29 Ų2940.4 Ų40.420%0.20321%0.21CC..THydrogen-bonded Turntrans-45.8-41.6-17654.20000115.9W436 W1307W436-S1311 PolarHBondContact NE1-O 3.47Å; W1307-S1311 WeakPolarHBondContact O-CB 3.43Å; W1307-S1311 PolarHBondContact O-N 3.11Å
1312E76.1Confident85.7Confident114 Ų11438.6 Ų38.653%0.53320%0.204SC..THydrogen-bonded Turntrans-95.1-4.5-179.7-63.7-170162.100114.5W436 Y1310 Y1315W436-E1312 HydrophobicContact CG-CG 4.29Å; Y1310-E1312 VanDerWaalsContact C-N 3.31Å; Y1310-E1312 PolarHBondContact O-N 2.97Å; Y1310-E1312 VanDerWaalsContact O-N 3.14Å; E1312-Y1315 WeakPolarHBondContact O-CE2 3.26Å
1313R82.5Confident85.4Confident149 Ų14939.3 Ų39.356%0.56221%0.213SC*.THydrogen-bonded Turntrans-118.8-21.1-172.2-64.2-174.8-178.5-176.8-1.7114.4T1260 A1261 Y1310T1260-R1313 CarbonylContact C-O 3.56Å; T1260-R1313 WeakPolarHBondContact CA-O 3.37Å; T1260-R1313 VanDerWaalsContact CB-O 3.29Å; T1260-R1313 WeakPolarHBondContact CB-O 3.5Å; A1261-R1313 PolarHBondContact N-O 2.91Å; Y1310-R1313 PolarHBondContact O-N 3.02Å
1314R87.8Confident85.3Confident2 Ų239.5 Ų39.51%0.00822%0.215CC..BIsolated β-bridgetrans-96.2106.2-176.1-169.5173.857.3-149-1.7110.6F613 V1303 S1306 W1307 Y1310 N1330F613-R1314 HydrophobicContact CE2-CB 4.47Å; F613-R1314 HydrophobicContact CE2-CG 3.68Å; F613-R1314 HydrophobicContact CZ-CG 3.86Å; V1303-R1314 PolarHBondContact O-NH2 3.05Å; S1306-R1314 PolarHBondContact OG-NH1 3.19Å; W1307-R1314 VanDerWaalsContact CE3-NH2 3.34Å; Y1310-R1314 WeakPolarHBondContact O-CB 3.31Å; Y1310-R1314 PolarHBondContact O-N 2.9Å; R1314-N1330 WeakPolarHBondContact O-CB 3.18Å; R1314-N1330 PolarHBondContact O-ND2 3.23Å
1315Y89.6Confident85.3Confident10 Ų1038.3 Ų38.34%0.03921%0.209CC..  trans-111.7-23.6-176.5-74.7-78.3000114.7R432 Y1257 T1260 E1312 Y1329 N1330 K1332 S1336R432-Y1315 WeakPolarHBondContact CD-OH 3.45Å; R432-Y1315 PolarHBondContact NH1-OH 2.95Å; Y1257-Y1315 HydrophobicContact CD1-CD1 4.14Å; Y1257-Y1315 HydrophobicContact CD1-CD2 4.11Å; Y1257-Y1315 HydrophobicContact CD1-CE1 4.18Å; Y1257-Y1315 HydrophobicContact CD1-CE2 4.13Å; Y1257-Y1315 HydrophobicContact CD1-CG 4.11Å; Y1257-Y1315 HydrophobicContact CE1-CD1 4.23Å; Y1257-Y1315 HydrophobicContact CE1-CE1 4.19Å; Y1257-Y1315 HydrophobicContact CG-CD2 4.26Å; Y1257-Y1315 HydrophobicContact CG-CG 4.21Å; T1260-Y1315 HydrophobicContact CG2-CD2 3.89Å; E1312-Y1315 WeakPolarHBondContact O-CE2 3.26Å; Y1315-Y1329 WeakPolarHBondContact O-CA 3.44Å; Y1315-N1330 HydrophobicContact CD1-CB 4.47Å; Y1315-N1330 PolarHBondContact O-N 3.45Å; Y1315-K1332 HydrophobicContact CE1-CB 4.47Å; Y1315-S1336 WeakPolarHBondContact O-CB 3.5Å
1316G89.5Confident85.5Confident0 Ų031.6 Ų31.60%017%0.173CC..EExtended strand (participates in β ladder)trans-168.3175.2174.700000113.8W1328 W1340G1316-W1328 CarbonylContact C-O 3.57Å; G1316-W1328 WeakPolarHBondContact CA-O 3.38Å; G1316-W1340 VanDerWaalsContact C-NE1 3.34Å
1317G90.5Very high85.7Confident0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-171171.7179.500000111.9F1263 W1328F1263-G1317 CarbonylContact O-C 3.45Å; F1263-G1317 WeakPolarHBondContact O-CA 3.39Å; G1317-W1328 PolarHBondContact N-O 3.14Å; G1317-W1328 PolarHBondContact O-N 3.1Å
1318Y91.3Very high86.2Confident2 Ų230.3 Ų30.31%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-120.9144.5-175-54.7-63.7000111.1F1263 L1264 S1265 L1280 T1326 W1340 D1343 L1344F1263-Y1318 PolarHBondContact O-N 3.35Å; L1264-Y1318 CarbonylContact C-O 3.05Å; L1264-Y1318 WeakPolarHBondContact CA-O 3.46Å; S1265-Y1318 PolarHBondContact N-O 2.87Å; S1265-Y1318 PolarHBondContact OG-O 3.31Å; L1280-Y1318 HydrophobicContact CD2-CD2 4.01Å; L1280-Y1318 HydrophobicContact CD2-CE1 4.46Å; L1280-Y1318 HydrophobicContact CD2-CE2 3.88Å; L1280-Y1318 HydrophobicContact CD2-CG 4.34Å; Y1318-T1326 WeakPolarHBondContact CA-O 3.39Å; Y1318-W1340 HydrophobicContact CE1-CB 4.22Å; Y1318-W1340 AromaticContact CE1-CD1 3.8Å; Y1318-W1340 HydrophobicContact CE1-CG 4.44Å; Y1318-W1340 AromaticContact CZ-CD1 3.56Å; Y1318-D1343 WeakPolarHBondContact OH-CB 3.42Å; Y1318-D1343 PolarHBondContact OH-OD2 3Å; Y1318-L1344 HydrophobicContact CE1-CB 4.13Å
1319G90.7Very high87Confident0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-138.6126.9168.900000112S1265 T1326S1265-G1319 CarbonylContact O-C 3.57Å; S1265-G1319 WeakPolarHBondContact O-CA 3.27Å; S1265-G1319 VanDerWaalsContact OG-CA 3.22Å; S1265-G1319 WeakPolarHBondContact OG-CA 3.19Å; G1319-T1326 WeakPolarHBondContact CA-OG1 3.01Å; G1319-T1326 PolarHBondContact N-O 3.07Å; G1319-T1326 PolarHBondContact N-OG1 3.49Å; G1319-T1326 PolarHBondContact O-N 2.72Å; G1319-T1326 PolarHBondContact O-OG1 3Å
1320L88.9Confident87.5Confident4 Ų420.5 Ų20.52%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-115.1114.8-176.2-61.6177000110.8S1265 H1266 E1267 Y1277 L1280 A1325S1265-L1320 PolarHBondContact O-N 2.72Å; H1266-L1320 WeakPolarHBondContact CA-O 3.45Å; E1267-L1320 PolarHBondContact N-O 3.37Å; Y1277-L1320 HydrophobicContact CD2-CD1 4.42Å; L1280-L1320 HydrophobicContact CD1-CD1 4.07Å; L1320-A1325 HydrophobicContact CD2-CB 3.89Å
1321N88Confident87.8Confident25 Ų2519.5 Ų19.513%0.13410%0.098CC..EExtended strand (participates in β ladder)trans-127.594.5175.7-156.6-10000111E93 E1267 R1268 S1323 G1324E93-N1321 PolarHBondContact OE2-ND2 3.17Å; E1267-N1321 HydrophobicContact CB-CB 4.34Å; E1267-N1321 WeakPolarHBondContact CB-OD1 3.46Å; E1267-N1321 PolarHBondContact OE2-ND2 2.81Å; R1268-N1321 WeakPolarHBondContact CD-OD1 3.49Å; R1268-N1321 WeakPolarHBondContact CG-OD1 3.33Å; N1321-S1323 PolarHBondContact O-N 2.76Å; N1321-S1323 VanDerWaalsContact O-N 3.15Å; N1321-G1324 PolarHBondContact N-O 3.49Å; N1321-G1324 PolarHBondContact O-N 3.44Å
1322G83.9Confident88.4Confident14 Ų1419.3 Ų19.314%0.1449%0.094CC..THydrogen-bonded Turntrans71.1-107.2179.900000111.9R1268 T1270 S1273R1268-G1322 WeakPolarHBondContact O-CA 3.29Å; R1268-G1322 PolarHBondContact O-N 3.15Å; T1270-G1322 WeakPolarHBondContact CG2-O 3.2Å; T1270-G1322 PolarHBondContact OG1-O 3.36Å; S1273-G1322 PolarHBondContact OG-O 2.89Å
1323S82.7Confident89Confident45 Ų4513.9 Ų13.932%0.3157%0.069SC..THydrogen-bonded Turntrans-96.1-10.8170.950.80000113.4N605 M606 Q607 N1321N605-S1323 WeakPolarHBondContact O-CB 3.42Å; M606-S1323 WeakPolarHBondContact CE-O 3.2Å; Q607-S1323 PolarHBondContact N-O 2.89Å; N1321-S1323 PolarHBondContact O-N 2.76Å; N1321-S1323 VanDerWaalsContact O-N 3.15Å
1324G87Confident89.3Confident3 Ų38.6 Ų8.63%0.0315%0.049CC..EExtended strand (participates in β ladder)trans-80.8120.1178.400000111.7N1321N1321-G1324 PolarHBondContact N-O 3.49Å; N1321-G1324 PolarHBondContact O-N 3.44Å
1325A89.9Confident89.5Confident1 Ų18.5 Ų8.51%0.0085%0.049CC..EExtended strand (participates in β ladder)trans-113.4111.5173.200000109.8M606 Q607 F608 Y609 L1320 L1344M606-A1325 HydrophobicContact CE-CB 4.06Å; Q607-A1325 PolarHBondContact O-N 3.41Å; F608-A1325 HydrophobicContact CD1-CB 3.86Å; F608-A1325 HydrophobicContact CE1-CB 4.08Å; Y609-A1325 PolarHBondContact N-O 2.59Å; L1320-A1325 HydrophobicContact CD2-CB 3.89Å; A1325-L1344 HydrophobicContact CB-CD2 4.42Å
1326T91.9Very high89.6Confident2 Ų28 Ų81%0.0125%0.047CC..EExtended strand (participates in β ladder)trans-100.2120.9-177.960.40000110.9Y94 Y609 Y1318 G1319 W1328Y94-T1326 HydrophobicContact CE1-CG2 3.63Å; Y609-T1326 HydrophobicContact CD2-CG2 4.44Å; Y609-T1326 HydrophobicContact CG-CG2 4.45Å; Y609-T1326 WeakPolarHBondContact O-CA 3.34Å; Y1318-T1326 WeakPolarHBondContact CA-O 3.39Å; G1319-T1326 WeakPolarHBondContact CA-OG1 3.01Å; G1319-T1326 PolarHBondContact N-O 3.07Å; G1319-T1326 PolarHBondContact N-OG1 3.49Å; G1319-T1326 PolarHBondContact O-N 2.72Å; G1319-T1326 PolarHBondContact O-OG1 3Å; T1326-W1328 PolarHBondContact OG1-NE1 2.79Å
1327V93.4Very high89.7Confident1 Ų18.1 Ų8.11%0.0065%0.047CC..EExtended strand (participates in β ladder)trans-91.9110.9164.9176.40000108.1Y609 T610 K611 W1340 L1341 L1344Y609-V1327 PolarHBondContact O-N 3.24Å; T610-V1327 WeakPolarHBondContact CA-O 3.47Å; K611-V1327 PolarHBondContact N-O 2.69Å; V1327-W1340 HydrophobicContact CG1-CB 3.76Å; V1327-L1341 HydrophobicContact CG2-CD1 3.95Å; V1327-L1344 HydrophobicContact CG2-CB 4.43Å; V1327-L1344 HydrophobicContact CG2-CD2 3.53Å
1328W93.2Very high89.9Confident0 Ų08.1 Ų8.10%05%0.047CC..EExtended strand (participates in β ladder)trans-91.7138.2173.9-62.369.7000110Y91 K611 F613 F1263 Y1300 G1316 G1317 T1326Y91-W1328 HydrophobicContact CE2-CH2 4.01Å; K611-W1328 HydrophobicContact CB-CD2 4.27Å; K611-W1328 HydrophobicContact CB-CE3 4.35Å; K611-W1328 HydrophobicContact CD-CD2 3.98Å; K611-W1328 HydrophobicContact CD-CE3 3.77Å; K611-W1328 HydrophobicContact CD-CH2 3.68Å; K611-W1328 HydrophobicContact CD-CZ2 3.81Å; K611-W1328 HydrophobicContact CD-CZ3 3.62Å; K611-W1328 HydrophobicContact CG-CD2 4.35Å; K611-W1328 HydrophobicContact CG-CE3 4.01Å; K611-W1328 HydrophobicContact CG-CZ3 4.22Å; K611-W1328 CarbonylContact O-C 3.56Å; K611-W1328 VanDerWaalsContact O-CA 3.24Å; K611-W1328 WeakPolarHBondContact O-CA 3.13Å; F613-W1328 HydrophobicContact CD1-CB 3.92Å; F613-W1328 HydrophobicContact CD1-CE3 4.15Å; F613-W1328 HydrophobicContact CE1-CB 3.54Å; F1263-W1328 HydrophobicContact CE2-CB 4.48Å; F1263-W1328 HydrophobicContact CE2-CD2 4.38Å; F1263-W1328 HydrophobicContact CE2-CG 4.11Å; F1263-W1328 HydrophobicContact CZ-CB 3.78Å; F1263-W1328 AromaticContact CZ-CD2 3.93Å; F1263-W1328 HydrophobicContact CZ-CD2 3.93Å; F1263-W1328 HydrophobicContact CZ-CE3 4.37Å; F1263-W1328 AromaticContact CZ-CG 3.72Å; F1263-W1328 HydrophobicContact CZ-CG 3.72Å; Y1300-W1328 HydrophobicContact CD2-CH2 4.05Å; Y1300-W1328 HydrophobicContact CD2-CZ3 4.11Å; G1316-W1328 CarbonylContact C-O 3.57Å; G1316-W1328 WeakPolarHBondContact CA-O 3.38Å; G1317-W1328 PolarHBondContact N-O 3.14Å; G1317-W1328 PolarHBondContact O-N 3.1Å; T1326-W1328 PolarHBondContact OG1-NE1 2.79Å
1329Y92.6Very high89.9Confident0 Ų08 Ų80%05%0.047CC..EExtended strand (participates in β ladder)trans-142.4154.7-174.768.1-86.7000114.3L448 H451 K611 Q612 F613 Y1315 N1331 M1337L448-Y1329 HydrophobicContact CD2-CE2 3.98Å; H451-Y1329 PolarHBondContact NE2-OH 3.29Å; H451-Y1329 VanDerWaalsContact NE2-OH 3.17Å; K611-Y1329 WeakPolarHBondContact O-CD1 3.28Å; K611-Y1329 PolarHBondContact O-N 3.26Å; Q612-Y1329 HydrophobicContact CB-CE1 4.36Å; Q612-Y1329 HydrophobicContact CB-CE2 4.12Å; Q612-Y1329 HydrophobicContact CG-CE2 4.39Å; F613-Y1329 PolarHBondContact N-O 2.95Å; Y1315-Y1329 WeakPolarHBondContact O-CA 3.44Å; Y1329-N1331 HydrophobicContact CD2-CB 4.39Å; Y1329-N1331 HydrophobicContact CE2-CB 4.19Å; Y1329-M1337 HydrophobicContact CD1-CB 4.09Å; Y1329-M1337 HydrophobicContact CD1-CG 3.76Å; Y1329-M1337 HydrophobicContact CD1-SD 3.94Å; Y1329-M1337 HydrophobicContact CD2-CB 3.82Å; Y1329-M1337 HydrophobicContact CD2-CG 4.29Å; Y1329-M1337 HydrophobicContact CD2-SD 4.33Å; Y1329-M1337 HydrophobicContact CE1-CG 3.94Å; Y1329-M1337 HydrophobicContact CE1-SD 3.45Å; Y1329-M1337 WeakPolarHBondContact CE1-SD 3.46Å; Y1329-M1337 HydrophobicContact CE2-CB 4.27Å; Y1329-M1337 HydrophobicContact CE2-CG 4.45Å; Y1329-M1337 HydrophobicContact CE2-SD 3.9Å; Y1329-M1337 HydrophobicContact CG-CB 3.73Å; Y1329-M1337 HydrophobicContact CG-CG 3.96Å; Y1329-M1337 HydrophobicContact CG-SD 4.36Å
1330N91.2Very high90Very high6 Ų68 Ų83%0.0325%0.047CC..  trans-109.4108.2172.5-170-11.3000110.2F613 R1314 Y1315 K1332 G1333 S1336F613-N1330 HydrophobicContact CD2-CB 3.57Å; F613-N1330 HydrophobicContact CE2-CB 3.63Å; R1314-N1330 WeakPolarHBondContact O-CB 3.18Å; R1314-N1330 PolarHBondContact O-ND2 3.23Å; Y1315-N1330 HydrophobicContact CD1-CB 4.47Å; Y1315-N1330 PolarHBondContact O-N 3.45Å; N1330-K1332 PolarHBondContact O-N 3.3Å; N1330-K1332 WeakPolarHBondContact OD1-CB 3.15Å; N1330-K1332 WeakPolarHBondContact OD1-CG 3.46Å; N1330-K1332 PolarHBondContact OD1-N 2.82Å; N1330-G1333 PolarHBondContact O-N 3.16Å; N1330-S1336 PolarHBondContact O-OG 3.36Å
1331N88.7Confident90.2Very high2 Ų27.9 Ų7.91%0.0115%0.046CC..THydrogen-bonded Turntrans-67.4-4.4-174.7-148.444000114.4A441 D447 L448 Y1329 G1333A441-N1331 HydrophobicContact CB-CB 4.37Å; A441-N1331 WeakPolarHBondContact O-CB 3.34Å; A441-N1331 PolarHBondContact O-ND2 3.47Å; D447-N1331 VanDerWaalsContact CB-ND2 3.27Å; D447-N1331 WeakPolarHBondContact CB-ND2 3.29Å; D447-N1331 PolarHBondContact O-ND2 3.35Å; L448-N1331 HydrophobicContact CD2-CB 4.42Å; L448-N1331 VanDerWaalsContact CD2-ND2 3.32Å; L448-N1331 WeakPolarHBondContact CD2-ND2 3.37Å; Y1329-N1331 HydrophobicContact CD2-CB 4.39Å; Y1329-N1331 HydrophobicContact CE2-CB 4.19Å; N1331-G1333 PolarHBondContact O-N 2.66Å
1332K87.8Confident90.4Very high25 Ų257 Ų711%0.1094%0.041CC..THydrogen-bonded Turntrans-59.9-24.2163.9-68-52.5-155.2-161.50114.2R432 F437 G439 A441 Y1315 N1330R432-K1332 WeakPolarHBondContact CB-O 3.28Å; F437-K1332 WeakPolarHBondContact O-CE 3.22Å; F437-K1332 PolarHBondContact O-NZ 2.85Å; G439-K1332 WeakPolarHBondContact O-CE 3.42Å; G439-K1332 PolarHBondContact O-NZ 3.13Å; A441-K1332 HydrophobicContact CB-CD 4.27Å; Y1315-K1332 HydrophobicContact CE1-CB 4.47Å; N1330-K1332 PolarHBondContact O-N 3.3Å; N1330-K1332 WeakPolarHBondContact OD1-CB 3.15Å; N1330-K1332 WeakPolarHBondContact OD1-CG 3.46Å; N1330-K1332 PolarHBondContact OD1-N 2.82Å
1333G88.3Confident90.6Very high0 Ų07.4 Ų7.40%04%0.04CC..BIsolated β-bridgetrans-101.1108.6165.300000108.1Y1257 N1330 N1331 H1335 S1336Y1257-G1333 WeakPolarHBondContact OH-CA 3.4Å; N1330-G1333 PolarHBondContact O-N 3.16Å; N1331-G1333 PolarHBondContact O-N 2.66Å; G1333-H1335 PolarHBondContact O-N 2.88Å; G1333-H1335 VanDerWaalsContact O-N 3.13Å; G1333-S1336 VanDerWaalsContact O-CB 3.23Å; G1333-S1336 WeakPolarHBondContact O-CB 3.14Å; G1333-S1336 PolarHBondContact O-N 3.2Å; G1333-S1336 PolarHBondContact O-OG 3.43Å
1334Y88.7Confident91Very high39 Ų395.4 Ų5.415%0.1533%0.026CC..THydrogen-bonded Turntrans-58.5-33.1-169-56.3-45.3000113.2E430 N431 N433 Y450 Y1257E430-Y1334 HydrophobicContact CB-CE2 4.46Å; E430-Y1334 VanDerWaalsContact O-CD2 3.31Å; E430-Y1334 WeakPolarHBondContact O-CD2 2.93Å; N431-Y1334 PolarHBondContact O-N 2.8Å; N431-Y1334 VanDerWaalsContact O-N 3.16Å; N433-Y1334 PolarHBondContact ND2-OH 3.33Å; Y450-Y1334 WeakPolarHBondContact CD2-O 3.17Å; Y450-Y1334 VanDerWaalsContact CE2-O 3.24Å; Y450-Y1334 WeakPolarHBondContact CE2-O 3.49Å; Y1257-Y1334 PolarHBondContact OH-N 3.46Å
1335H91.4Very high91.2Very high0 Ų05.3 Ų5.30%03%0.025CC..THydrogen-bonded Turntrans-99.93.1179.9-42.7-73.3000113.1P427 E430 Y450 L1250 L1252 L1256 Y1257 G1333 M1337 M1338 A1339P427-H1335 PolarHBondContact O-CE1 3.4Å; E430-H1335 PolarHBondContact O-NE2 3.4Å; Y450-H1335 AromaticContact CE2-ND1 3.89Å; Y450-H1335 AromaticContact CZ-ND1 3.77Å; Y450-H1335 PolarHBondContact OH-CE1 2.83Å; Y450-H1335 PolarHBondContact OH-ND1 3.22Å; L1250-H1335 WeakPolarHBondContact CD2-NE2 3.34Å; L1252-H1335 HydrophobicContact CD2-CB 4.02Å; L1256-H1335 HydrophobicContact CD1-CB 3.89Å; Y1257-H1335 PolarHBondContact OH-N 3.32Å; Y1257-H1335 VanDerWaalsContact OH-N 3.12Å; G1333-H1335 PolarHBondContact O-N 2.88Å; G1333-H1335 VanDerWaalsContact O-N 3.13Å; H1335-M1337 PolarHBondContact O-N 3.4Å; H1335-M1338 PolarHBondContact O-N 3.04Å; H1335-M1338 VanDerWaalsContact O-N 3.09Å; H1335-A1339 WeakPolarHBondContact O-CB 3.45Å; H1335-A1339 PolarHBondContact O-N 3.32Å
1336S91.6Very high91.2Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-56.5-48.8-175.460.40000112.6Y1315 N1330 G1333 M1338 A1339 W1340Y1315-S1336 WeakPolarHBondContact O-CB 3.5Å; N1330-S1336 PolarHBondContact O-OG 3.36Å; G1333-S1336 VanDerWaalsContact O-CB 3.23Å; G1333-S1336 WeakPolarHBondContact O-CB 3.14Å; G1333-S1336 PolarHBondContact O-N 3.2Å; G1333-S1336 PolarHBondContact O-OG 3.43Å; S1336-M1338 VanDerWaalsContact C-N 3.25Å; S1336-M1338 PolarHBondContact O-N 2.84Å; S1336-A1339 PolarHBondContact O-N 2.87Å; S1336-W1340 VanDerWaalsContact O-CE3 3.27Å; S1336-W1340 PolarHBondContact O-N 2.77Å
1337M92.4Very high91.1Very high2 Ų25.8 Ų5.81%0.013%0.028CC..Hα-helixtrans-56.3-39.7177-173.5173.967.900112.3H451 V455 T610 Y1329 H1335 L1341H451-M1337 PolarHBondContact CE1-SD 2.82Å; H451-M1337 VanDerWaalsContact NE2-CE 3.33Å; H451-M1337 WeakPolarHBondContact NE2-CE 3.43Å; H451-M1337 PolarHBondContact NE2-SD 2.89Å; V455-M1337 HydrophobicContact CB-CE 4.41Å; V455-M1337 HydrophobicContact CG2-CE 4.48Å; T610-M1337 HydrophobicContact CG2-CG 4.33Å; T610-M1337 HydrophobicContact CG2-SD 4.36Å; Y1329-M1337 HydrophobicContact CD1-CB 4.09Å; Y1329-M1337 HydrophobicContact CD1-CG 3.76Å; Y1329-M1337 HydrophobicContact CD1-SD 3.94Å; Y1329-M1337 HydrophobicContact CD2-CB 3.82Å; Y1329-M1337 HydrophobicContact CD2-CG 4.29Å; Y1329-M1337 HydrophobicContact CD2-SD 4.33Å; Y1329-M1337 HydrophobicContact CE1-CG 3.94Å; Y1329-M1337 HydrophobicContact CE1-SD 3.45Å; Y1329-M1337 WeakPolarHBondContact CE1-SD 3.46Å; Y1329-M1337 HydrophobicContact CE2-CB 4.27Å; Y1329-M1337 HydrophobicContact CE2-CG 4.45Å; Y1329-M1337 HydrophobicContact CE2-SD 3.9Å; Y1329-M1337 HydrophobicContact CG-CB 3.73Å; Y1329-M1337 HydrophobicContact CG-CG 3.96Å; Y1329-M1337 HydrophobicContact CG-SD 4.36Å; H1335-M1337 PolarHBondContact O-N 3.4Å; M1337-L1341 WeakPolarHBondContact O-CB 3.43Å; M1337-L1341 PolarHBondContact O-N 3.47Å
1338M93.5Very high90.9Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-73.4-41.6178.2-60.3-56.484.700112Y450 F454 V455 K458 L1252 H1335 S1336 L1341 N1342Y450-M1338 HydrophobicContact CD1-CG 3.96Å; Y450-M1338 HydrophobicContact CD1-SD 3.99Å; Y450-M1338 HydrophobicContact CD2-CG 4.12Å; Y450-M1338 HydrophobicContact CE1-CG 4.03Å; Y450-M1338 HydrophobicContact CE2-CG 4.21Å; Y450-M1338 HydrophobicContact CG-CG 4.02Å; Y450-M1338 HydrophobicContact CG-SD 4.12Å; F454-M1338 HydrophobicContact CD1-SD 3.67Å; F454-M1338 HydrophobicContact CE1-CG 4.26Å; F454-M1338 HydrophobicContact CE1-SD 3.73Å; V455-M1338 HydrophobicContact CB-CE 3.83Å; V455-M1338 HydrophobicContact CB-SD 4.37Å; V455-M1338 HydrophobicContact CG2-CE 3.52Å; V455-M1338 HydrophobicContact CG2-SD 4.4Å; K458-M1338 HydrophobicContact CD-SD 4.24Å; L1252-M1338 HydrophobicContact CB-CB 4.16Å; L1252-M1338 HydrophobicContact CD1-CB 3.98Å; L1252-M1338 HydrophobicContact CD1-CG 4.25Å; L1252-M1338 HydrophobicContact CD2-CB 4.01Å; L1252-M1338 HydrophobicContact CD2-CG 4.44Å; L1252-M1338 HydrophobicContact CG-CB 4.28Å; H1335-M1338 PolarHBondContact O-N 3.04Å; H1335-M1338 VanDerWaalsContact O-N 3.09Å; S1336-M1338 VanDerWaalsContact C-N 3.25Å; S1336-M1338 PolarHBondContact O-N 2.84Å; M1338-L1341 PolarHBondContact O-N 3.38Å; M1338-N1342 VanDerWaalsContact O-CB 3.25Å; M1338-N1342 WeakPolarHBondContact O-CB 3.3Å; M1338-N1342 PolarHBondContact O-N 2.7Å
1339A91.9Very high90.6Very high0 Ų06 Ų60%03%0.028CC..Hα-helixtrans-65.4-42.4-177.300000112.8S1253 H1335 S1336 D1343S1253-A1339 WeakPolarHBondContact O-CB 3.19Å; H1335-A1339 WeakPolarHBondContact O-CB 3.45Å; H1335-A1339 PolarHBondContact O-N 3.32Å; S1336-A1339 PolarHBondContact O-N 2.87Å; A1339-D1343 VanDerWaalsContact O-CB 3.32Å; A1339-D1343 WeakPolarHBondContact O-CB 3.44Å; A1339-D1343 PolarHBondContact O-N 3.1Å
1340W92.5Very high90.5Very high0 Ų08.8 Ų8.80%04%0.039CC..Hα-helixtrans-75.5-30.6175.4-86.4-105.6000112.4R1254 Y1257 T1260 Q1262 G1316 Y1318 V1327 S1336 L1344R1254-W1340 HydrophobicContact CG-CD2 3.86Å; R1254-W1340 HydrophobicContact CG-CE3 4Å; R1254-W1340 HydrophobicContact CG-CG 4.31Å; R1254-W1340 HydrophobicContact CG-CH2 4.42Å; R1254-W1340 HydrophobicContact CG-CZ2 4.28Å; R1254-W1340 HydrophobicContact CG-CZ3 4.3Å; Y1257-W1340 HydrophobicContact CD2-CH2 4.26Å; Y1257-W1340 AromaticContact CD2-CZ3 3.75Å; Y1257-W1340 HydrophobicContact CD2-CZ3 3.75Å; Y1257-W1340 HydrophobicContact CE2-CZ3 4.35Å; T1260-W1340 HydrophobicContact CG2-CH2 3.88Å; T1260-W1340 HydrophobicContact CG2-CZ2 4.27Å; Q1262-W1340 HydrophobicContact CG-CZ2 3.98Å; G1316-W1340 VanDerWaalsContact C-NE1 3.34Å; Y1318-W1340 HydrophobicContact CE1-CB 4.22Å; Y1318-W1340 AromaticContact CE1-CD1 3.8Å; Y1318-W1340 HydrophobicContact CE1-CG 4.44Å; Y1318-W1340 AromaticContact CZ-CD1 3.56Å; V1327-W1340 HydrophobicContact CG1-CB 3.76Å; S1336-W1340 VanDerWaalsContact O-CE3 3.27Å; S1336-W1340 PolarHBondContact O-N 2.77Å; W1340-L1344 WeakPolarHBondContact O-CB 3.5Å; W1340-L1344 PolarHBondContact O-N 3.08Å
1341L93.3Very high90.2Very high1 Ų19 Ų91%0.0054%0.04CC..Hα-helixtrans-70.6-41.5174.1-17365.1000112.2L64 V455 V1327 M1337 M1338 D1343 L1344 N1345L64-L1341 HydrophobicContact CD1-CD1 3.92Å; L64-L1341 HydrophobicContact CD1-CD2 3.88Å; V455-L1341 HydrophobicContact CG2-CD2 3.6Å; V1327-L1341 HydrophobicContact CG2-CD1 3.95Å; M1337-L1341 WeakPolarHBondContact O-CB 3.43Å; M1337-L1341 PolarHBondContact O-N 3.47Å; M1338-L1341 PolarHBondContact O-N 3.38Å; L1341-D1343 VanDerWaalsContact C-N 3.3Å; L1341-D1343 PolarHBondContact O-N 3.02Å; L1341-L1344 PolarHBondContact O-N 2.87Å; L1341-N1345 WeakPolarHBondContact O-CB 3.26Å; L1341-N1345 VanDerWaalsContact O-CG 3.26Å; L1341-N1345 PolarHBondContact O-N 3.28Å; L1341-N1345 PolarHBondContact O-ND2 2.93Å
1342N92.5Very high90Very high6 Ų69.4 Ų9.43%0.0324%0.043CC..Hα-helixtrans-63.3-38.3175.5-171.486.6000112.1K458 L1252 M1338 S1346 I1360 T1362K458-N1342 PolarHBondContact NZ-OD1 3.47Å; L1252-N1342 VanDerWaalsContact O-CB 3.24Å; L1252-N1342 WeakPolarHBondContact O-CB 3.46Å; M1338-N1342 VanDerWaalsContact O-CB 3.25Å; M1338-N1342 WeakPolarHBondContact O-CB 3.3Å; M1338-N1342 PolarHBondContact O-N 2.7Å; N1342-S1346 WeakPolarHBondContact O-CB 3.17Å; N1342-S1346 PolarHBondContact O-N 3Å; N1342-S1346 PolarHBondContact O-OG 3.15Å; N1342-I1360 PolarHBondContact ND2-O 3.4Å; N1342-T1362 PolarHBondContact OD1-N 2.74Å; N1342-T1362 PolarHBondContact OD1-OG1 3.05Å
1343D89.3Confident89.7Confident23 Ų239.8 Ų9.812%0.1235%0.046CC..Hα-helixtrans-66.6-48.7175.8-169.394.4000111.2R1254 Y1318 A1339 L1341 N1345 S1346 E1347R1254-D1343 HydrophobicContact CG-CB 4.22Å; R1254-D1343 VanDerWaalsContact CZ-CG 3.48Å; R1254-D1343 IonicContact CZ-OD1 2.78Å; R1254-D1343 IonicContact CZ-OD2 3.92Å; R1254-D1343 IonicContact NE-OD1 2.74Å; R1254-D1343 PolarHBondContact NE-OD1 3.13Å; R1254-D1343 IonicContact NE-OD2 2.84Å; R1254-D1343 PolarHBondContact NE-OD2 3.3Å; R1254-D1343 VanDerWaalsContact NH2-CG 3.29Å; R1254-D1343 IonicContact NH2-OD1 3.7Å; R1254-D1343 PolarHBondContact NH2-OD1 3.25Å; R1254-D1343 IonicContact NH2-OD2 2.84Å; R1254-D1343 PolarHBondContact NH2-OD2 3.44Å; Y1318-D1343 WeakPolarHBondContact OH-CB 3.42Å; Y1318-D1343 PolarHBondContact OH-OD2 3Å; A1339-D1343 VanDerWaalsContact O-CB 3.32Å; A1339-D1343 WeakPolarHBondContact O-CB 3.44Å; A1339-D1343 PolarHBondContact O-N 3.1Å; L1341-D1343 VanDerWaalsContact C-N 3.3Å; L1341-D1343 PolarHBondContact O-N 3.02Å; D1343-N1345 VanDerWaalsContact C-N 3.33Å; D1343-N1345 PolarHBondContact O-N 3.01Å; D1343-S1346 WeakPolarHBondContact O-CA 3.28Å; D1343-S1346 WeakPolarHBondContact O-CB 3.44Å; D1343-S1346 PolarHBondContact O-N 3.27Å; D1343-E1347 PolarHBondContact O-N 3Å
1344L90.7Very high89.4Confident3 Ų316 Ų162%0.0168%0.079CC..Hα-helixtrans-55.7-45.7172.3179.463.3000111.9F608 L1276 L1280 Y1318 A1325 V1327 W1340 L1341 S1346 E1347 L1348F608-L1344 HydrophobicContact CD1-CD2 4.38Å; L1276-L1344 HydrophobicContact CD2-CD1 4.27Å; L1280-L1344 HydrophobicContact CD1-CD1 4.08Å; L1280-L1344 HydrophobicContact CD2-CD1 4.07Å; Y1318-L1344 HydrophobicContact CE1-CB 4.13Å; A1325-L1344 HydrophobicContact CB-CD2 4.42Å; V1327-L1344 HydrophobicContact CG2-CB 4.43Å; V1327-L1344 HydrophobicContact CG2-CD2 3.53Å; W1340-L1344 WeakPolarHBondContact O-CB 3.5Å; W1340-L1344 PolarHBondContact O-N 3.08Å; L1341-L1344 PolarHBondContact O-N 2.87Å; L1344-S1346 VanDerWaalsContact C-N 3.26Å; L1344-S1346 PolarHBondContact O-N 2.97Å; L1344-E1347 PolarHBondContact O-N 2.91Å; L1344-L1348 HydrophobicContact CD1-CD1 4.43Å; L1344-L1348 HydrophobicContact CG-CD1 4.01Å; L1344-L1348 WeakPolarHBondContact O-CB 3.31Å; L1344-L1348 VanDerWaalsContact O-CG 3.22Å; L1344-L1348 WeakPolarHBondContact O-CG 3.43Å; L1344-L1348 PolarHBondContact O-N 2.9Å
1345N91.3Very high88.9Confident0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-66.4-26.3177.5-68.4-17.8000112.6Q459 D462 L1341 D1343 L1349Q459-N1345 PolarHBondContact NE2-OD1 3.44Å; Q459-N1345 VanDerWaalsContact NE2-OD1 3.08Å; Q459-N1345 PolarHBondContact OE1-ND2 3.42Å; D462-N1345 HydrophobicContact CB-CB 4.21Å; D462-N1345 WeakPolarHBondContact CB-ND2 3.35Å; D462-N1345 PolarHBondContact OD2-ND2 3.39Å; L1341-N1345 WeakPolarHBondContact O-CB 3.26Å; L1341-N1345 VanDerWaalsContact O-CG 3.26Å; L1341-N1345 PolarHBondContact O-N 3.28Å; L1341-N1345 PolarHBondContact O-ND2 2.93Å; D1343-N1345 VanDerWaalsContact C-N 3.33Å; D1343-N1345 PolarHBondContact O-N 3.01Å; N1345-L1349 PolarHBondContact O-N 3.44Å
1346S90.1Very high88.1Confident8 Ų821 Ų216%0.05612%0.115CC..Hα-helixtrans-74.9-42.3172.5-62.90000112.8N1342 D1343 L1344 L1348 L1349 R1350 I1360N1342-S1346 WeakPolarHBondContact O-CB 3.17Å; N1342-S1346 PolarHBondContact O-N 3Å; N1342-S1346 PolarHBondContact O-OG 3.15Å; D1343-S1346 WeakPolarHBondContact O-CA 3.28Å; D1343-S1346 WeakPolarHBondContact O-CB 3.44Å; D1343-S1346 PolarHBondContact O-N 3.27Å; L1344-S1346 VanDerWaalsContact C-N 3.26Å; L1344-S1346 PolarHBondContact O-N 2.97Å; S1346-L1348 VanDerWaalsContact C-N 3.25Å; S1346-L1348 PolarHBondContact O-N 3.39Å; S1346-L1349 PolarHBondContact O-N 3.22Å; S1346-R1350 WeakPolarHBondContact O-CG 3.46Å; S1346-R1350 PolarHBondContact O-N 3.39Å; S1346-I1360 PolarHBondContact OG-N 3Å; S1346-I1360 VanDerWaalsContact OG-N 3.11Å; S1346-I1360 PolarHBondContact OG-O 3.47Å; S1346-I1360 VanDerWaalsContact OG-O 3.12Å
1347E87.9Confident87.4Confident6 Ų627 Ų273%0.02814%0.144CC..Hα-helixtrans-67.6-28.2172.1-50.7-57172.300111.4L1276 Q1279 L1280 S1283 D1343 L1344 R1350 T1351L1276-E1347 HydrophobicContact CD1-CB 3.9Å; Q1279-E1347 PolarHBondContact OE1-O 2.97Å; L1280-E1347 HydrophobicContact CD2-CB 4.28Å; L1280-E1347 HydrophobicContact CD2-CG 3.91Å; L1280-E1347 HydrophobicContact CG-CB 4.46Å; L1280-E1347 HydrophobicContact CG-CG 4.42Å; S1283-E1347 WeakPolarHBondContact CB-OE1 3.46Å; S1283-E1347 PolarHBondContact OG-OE1 3.23Å; D1343-E1347 PolarHBondContact O-N 3Å; L1344-E1347 PolarHBondContact O-N 2.91Å; E1347-R1350 PolarHBondContact O-N 3Å; E1347-R1350 IonicContact OE1-NH1 2.68Å; E1347-R1350 PolarHBondContact OE1-NH1 3.42Å; E1347-R1350 WeakPolarHBondContact OE2-CD 3.15Å; E1347-R1350 IonicContact OE2-CZ 2.81Å; E1347-R1350 IonicContact OE2-NE 3.32Å; E1347-R1350 IonicContact OE2-NH1 3.18Å; E1347-R1350 PolarHBondContact OE2-NH1 2.94Å; E1347-T1351 PolarHBondContact O-N 3.14Å; E1347-T1351 PolarHBondContact O-OG1 2.94Å
1348L89.2Confident86.9Confident0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-66.7-41.6169.8-73.6165.5000112I466 F608 F1272 L1276 L1344 S1346 T1351 T1352I466-L1348 HydrophobicContact CD1-CB 4.15Å; F608-L1348 HydrophobicContact CD1-CD1 4.49Å; F608-L1348 HydrophobicContact CE1-CD1 3.51Å; F608-L1348 HydrophobicContact CZ-CD1 3.66Å; F1272-L1348 HydrophobicContact CE1-CD2 3.52Å; F1272-L1348 HydrophobicContact CZ-CD2 3.8Å; L1276-L1348 HydrophobicContact CD1-CD2 4.15Å; L1276-L1348 HydrophobicContact CD1-CG 4.34Å; L1276-L1348 HydrophobicContact CD2-CD2 3.75Å; L1276-L1348 HydrophobicContact CD2-CG 4.38Å; L1344-L1348 HydrophobicContact CD1-CD1 4.43Å; L1344-L1348 HydrophobicContact CG-CD1 4.01Å; L1344-L1348 WeakPolarHBondContact O-CB 3.31Å; L1344-L1348 VanDerWaalsContact O-CG 3.22Å; L1344-L1348 WeakPolarHBondContact O-CG 3.43Å; L1344-L1348 PolarHBondContact O-N 2.9Å; S1346-L1348 VanDerWaalsContact C-N 3.25Å; S1346-L1348 PolarHBondContact O-N 3.39Å; L1348-T1351 WeakPolarHBondContact CA-OG1 3.12Å; L1348-T1351 PolarHBondContact O-OG1 3.21Å; L1348-T1352 WeakPolarHBondContact O-CB 3.38Å; L1348-T1352 WeakPolarHBondContact O-CG2 3.17Å; L1348-T1352 PolarHBondContact O-N 3.37Å; L1348-T1352 PolarHBondContact O-OG1 3.04Å
1349L88.5Confident86.6Confident4 Ų428.1 Ų28.12%0.02115%0.152CC..Hα-helixtrans-59.6-50.6171.8-174.564.6000110.6I466 K469 N1345 S1346 T1351 T1352 M1353 I1360I466-L1349 HydrophobicContact CB-CD1 4.41Å; I466-L1349 HydrophobicContact CG1-CB 4.17Å; I466-L1349 HydrophobicContact CG1-CD1 4.02Å; K469-L1349 HydrophobicContact CB-CD1 4.15Å; N1345-L1349 PolarHBondContact O-N 3.44Å; S1346-L1349 PolarHBondContact O-N 3.22Å; L1349-T1351 PolarHBondContact O-N 3.25Å; L1349-T1352 PolarHBondContact O-N 3.3Å; L1349-T1352 VanDerWaalsContact O-N 3.08Å; L1349-T1352 PolarHBondContact O-OG1 3.02Å; L1349-M1353 HydrophobicContact CD1-CG 3.66Å; L1349-M1353 HydrophobicContact CD1-SD 4.37Å; L1349-M1353 HydrophobicContact CG-CG 4.06Å; L1349-M1353 WeakPolarHBondContact O-CB 3.29Å; L1349-M1353 VanDerWaalsContact O-CG 3.24Å; L1349-M1353 WeakPolarHBondContact O-CG 3.34Å; L1349-M1353 PolarHBondContact O-N 2.91Å; L1349-I1360 HydrophobicContact CB-CD1 4.36Å; L1349-I1360 HydrophobicContact CB-CG1 4.45Å; L1349-I1360 HydrophobicContact CD2-CD1 4.3Å; L1349-I1360 HydrophobicContact CD2-CG1 3.78Å
1350R88.8Confident86.5Confident60 Ų6028.2 Ų28.223%0.22615%0.152CC..Hα-helixtrans-59.3-40.6179.9-69.3166.5179.7165.81.4114Q1279 S1346 E1347 N1354 D1355 S1356 S1358Q1279-R1350 VanDerWaalsContact OE1-CB 3.3Å; S1346-R1350 WeakPolarHBondContact O-CG 3.46Å; S1346-R1350 PolarHBondContact O-N 3.39Å; E1347-R1350 PolarHBondContact O-N 3Å; E1347-R1350 IonicContact OE1-NH1 2.68Å; E1347-R1350 PolarHBondContact OE1-NH1 3.42Å; E1347-R1350 WeakPolarHBondContact OE2-CD 3.15Å; E1347-R1350 IonicContact OE2-CZ 2.81Å; E1347-R1350 IonicContact OE2-NE 3.32Å; E1347-R1350 IonicContact OE2-NH1 3.18Å; E1347-R1350 PolarHBondContact OE2-NH1 2.94Å; R1350-N1354 VanDerWaalsContact O-CA 3.25Å; R1350-N1354 WeakPolarHBondContact O-CA 3.33Å; R1350-N1354 PolarHBondContact O-N 2.76Å; R1350-D1355 WeakPolarHBondContact CG-O 3.43Å; R1350-S1356 PolarHBondContact NE-O 3.22Å; R1350-S1358 WeakPolarHBondContact CA-OG 3.26Å; R1350-S1358 VanDerWaalsContact CG-O 3.24Å; R1350-S1358 WeakPolarHBondContact CG-O 3.46Å; R1350-S1358 WeakPolarHBondContact CG-OG 3.42Å; R1350-S1358 PolarHBondContact NE-O 2.8Å
1351T86.3Confident86.4Confident9 Ų929.9 Ų29.96%0.05516%0.161CC..Hα-helixtrans-70.3-32.517442.80000113.7K1275 L1276 Q1279 E1347 L1348 L1349K1275-T1351 HydrophobicContact CB-CG2 4.49Å; L1276-T1351 HydrophobicContact CB-CG2 4.07Å; L1276-T1351 HydrophobicContact CD1-CG2 3.78Å; Q1279-T1351 HydrophobicContact CG-CG2 4.33Å; E1347-T1351 PolarHBondContact O-N 3.14Å; E1347-T1351 PolarHBondContact O-OG1 2.94Å; L1348-T1351 WeakPolarHBondContact CA-OG1 3.12Å; L1348-T1351 PolarHBondContact O-OG1 3.21Å; L1349-T1351 PolarHBondContact O-N 3.25Å
1352T84.2Confident86.3Confident11 Ų1130 Ų307%0.06716%0.161CC..Hα-helixtrans-80.9-25.2177.756.60000114.6I466 V603 F1272 L1348 L1349I466-T1352 HydrophobicContact CG2-CG2 4.27Å; V603-T1352 HydrophobicContact CG2-CG2 3.53Å; F1272-T1352 HydrophobicContact CE2-CG2 3.91Å; F1272-T1352 HydrophobicContact CZ-CG2 3.94Å; L1348-T1352 WeakPolarHBondContact O-CB 3.38Å; L1348-T1352 WeakPolarHBondContact O-CG2 3.17Å; L1348-T1352 PolarHBondContact O-N 3.37Å; L1348-T1352 PolarHBondContact O-OG1 3.04Å; L1349-T1352 PolarHBondContact O-N 3.3Å; L1349-T1352 VanDerWaalsContact O-N 3.08Å; L1349-T1352 PolarHBondContact O-OG1 3.02Å
1353M82.1Confident86.3Confident34 Ų3430.8 Ų30.817%0.16717%0.166CC..Hα-helixtrans-99-16.1179.9-61.1-68.2-70.300113.1K469 R470 A473 L1349 D1355K469-M1353 HydrophobicContact CB-CE 4.26Å; K469-M1353 HydrophobicContact CB-SD 4.18Å; K469-M1353 WeakPolarHBondContact O-CE 3.38Å; R470-M1353 HydrophobicContact CB-SD 4.24Å; A473-M1353 HydrophobicContact CB-CE 3.69Å; A473-M1353 HydrophobicContact CB-SD 4.41Å; L1349-M1353 HydrophobicContact CD1-CG 3.66Å; L1349-M1353 HydrophobicContact CD1-SD 4.37Å; L1349-M1353 HydrophobicContact CG-CG 4.06Å; L1349-M1353 WeakPolarHBondContact O-CB 3.29Å; L1349-M1353 VanDerWaalsContact O-CG 3.24Å; L1349-M1353 WeakPolarHBondContact O-CG 3.34Å; L1349-M1353 PolarHBondContact O-N 2.91Å; M1353-D1355 HydrophobicContact CB-CB 4.42Å; M1353-D1355 PolarHBondContact O-N 3.5Å
1354N81.4Confident86.4Confident130 Ų13029.7 Ų29.770%0.69516%0.16SC*.  trans55.17.8-165.2-72.7-37.1000115.5R1350R1350-N1354 VanDerWaalsContact O-CA 3.25Å; R1350-N1354 WeakPolarHBondContact O-CA 3.33Å; R1350-N1354 PolarHBondContact O-N 2.76Å
1355D78.9Confident86.3Confident48 Ų4831.3 Ų31.326%0.25717%0.167SC..  trans-98.3118.4175.8-175.82.2000111.3K412 R1350 M1353 E1357 S1358K412-D1355 IonicContact NZ-OD1 2.76Å; K412-D1355 IonicContact NZ-OD2 3.3Å; K412-D1355 PolarHBondContact NZ-OD2 3.47Å; R1350-D1355 WeakPolarHBondContact CG-O 3.43Å; M1353-D1355 HydrophobicContact CB-CB 4.42Å; M1353-D1355 PolarHBondContact O-N 3.5Å; D1355-E1357 VanDerWaalsContact C-N 3.32Å; D1355-E1357 PolarHBondContact O-N 3.21Å; D1355-E1357 WeakPolarHBondContact OD1-CB 3.31Å; D1355-E1357 PolarHBondContact OD1-N 2.86Å; D1355-S1358 PolarHBondContact O-N 3.39Å; D1355-S1358 PolarHBondContact O-OG 2.86Å
1356S73.5Confident85.9Confident95 Ų9531.6 Ų31.666%0.66417%0.169SC*.THydrogen-bonded Turntrans-71.8-19177.6500000114.3R1350 S1358R1350-S1356 PolarHBondContact NE-O 3.22Å; S1356-S1358 VanDerWaalsContact C-N 3.3Å
1357E78.1Confident85.5Confident127 Ų12732.2 Ų32.259%0.59317%0.17SC*.THydrogen-bonded Turntrans-76.9-19.4175.2-63.4-174.4163.900112.4K412 D1355K412-E1357 HydrophobicContact CD-CB 4.05Å; K412-E1357 WeakPolarHBondContact CE-OE2 3.23Å; K412-E1357 IonicContact NZ-OE2 3.27Å; K412-E1357 PolarHBondContact NZ-OE2 2.63Å; D1355-E1357 VanDerWaalsContact C-N 3.32Å; D1355-E1357 PolarHBondContact O-N 3.21Å; D1355-E1357 WeakPolarHBondContact OD1-CB 3.31Å; D1355-E1357 PolarHBondContact OD1-N 2.86Å
1358S81.8Confident84.7Confident6 Ų635.9 Ų35.94%0.04219%0.186CC..  trans-66.9140.5179.171.30000112K412 R1350 D1355 S1356K412-S1358 WeakPolarHBondContact O-CA 3.49Å; R1350-S1358 WeakPolarHBondContact CA-OG 3.26Å; R1350-S1358 VanDerWaalsContact CG-O 3.24Å; R1350-S1358 WeakPolarHBondContact CG-O 3.46Å; R1350-S1358 WeakPolarHBondContact CG-OG 3.42Å; R1350-S1358 PolarHBondContact NE-O 2.8Å; D1355-S1358 PolarHBondContact O-N 3.39Å; D1355-S1358 PolarHBondContact O-OG 2.86Å; S1356-S1358 VanDerWaalsContact C-N 3.3Å
1359S86.7Confident83.7Confident19 Ų1936.5 Ų36.513%0.13319%0.19CC..EExtended strand (participates in β ladder)trans-162.8161.1174.650.40000112K412 Q413 A414K412-S1359 PolarHBondContact O-N 2.92Å; Q413-S1359 CarbonylContact C-O 3.6Å; Q413-S1359 WeakPolarHBondContact CA-O 3.36Å; A414-S1359 PolarHBondContact N-O 3.24Å
1360I90.4Very high82.4Confident3 Ų336.8 Ų36.82%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-117.5131.7176.9-55.8178.5000108.2A414 Y416 I465 I466 N1342 S1346 L1349 T1362A414-I1360 CarbonylContact O-C 3.5Å; A414-I1360 WeakPolarHBondContact O-CA 3.48Å; Y416-I1360 HydrophobicContact CE1-CG2 4.48Å; I465-I1360 HydrophobicContact CG2-CD1 4.2Å; I465-I1360 HydrophobicContact CG2-CG1 4.42Å; I466-I1360 HydrophobicContact CD1-CD1 4.16Å; I466-I1360 HydrophobicContact CG1-CD1 3.79Å; N1342-I1360 PolarHBondContact ND2-O 3.4Å; S1346-I1360 PolarHBondContact OG-N 3Å; S1346-I1360 VanDerWaalsContact OG-N 3.11Å; S1346-I1360 PolarHBondContact OG-O 3.47Å; S1346-I1360 VanDerWaalsContact OG-O 3.12Å; L1349-I1360 HydrophobicContact CB-CD1 4.36Å; L1349-I1360 HydrophobicContact CB-CG1 4.45Å; L1349-I1360 HydrophobicContact CD2-CD1 4.3Å; L1349-I1360 HydrophobicContact CD2-CG1 3.78Å; I1360-T1362 HydrophobicContact CG2-CG2 4.49Å
1361L90.2Very high80.8Confident35 Ų3540.1 Ų40.118%0.18321%0.21CC..EExtended strand (participates in β ladder)trans-124.9107.9176.4-177.761.7000111.2A414 S415 Y416 P1251 L1363A414-L1361 PolarHBondContact O-N 3.2Å; S415-L1361 WeakPolarHBondContact CA-O 3.46Å; Y416-L1361 PolarHBondContact N-O 2.76Å; P1251-L1361 HydrophobicContact CB-CD1 3.91Å; P1251-L1361 HydrophobicContact CB-CD2 4.46Å; L1361-L1363 HydrophobicContact CD2-CD2 4.13Å; L1361-L1363 HydrophobicContact CG-CD2 4.05Å
1362T91.3Very high79.1Confident2 Ų242.1 Ų42.11%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-91.6130.7173.255.50000112.7Y416 K458 L1252 N1342 I1360Y416-T1362 HydrophobicContact CD1-CG2 3.98Å; Y416-T1362 HydrophobicContact CD2-CG2 4.48Å; Y416-T1362 HydrophobicContact CE1-CG2 3.3Å; Y416-T1362 HydrophobicContact CE2-CG2 3.88Å; Y416-T1362 WeakPolarHBondContact OH-CG2 3.42Å; K458-T1362 HydrophobicContact CD-CG2 4.32Å; K458-T1362 WeakPolarHBondContact CE-OG1 3.48Å; K458-T1362 HydrophobicContact CG-CG2 4.44Å; K458-T1362 PolarHBondContact NZ-OG1 3.08Å; L1252-T1362 WeakPolarHBondContact CB-O 3.4Å; L1252-T1362 WeakPolarHBondContact CG-O 3.11Å; L1252-T1362 PolarHBondContact N-O 3.13Å; N1342-T1362 PolarHBondContact OD1-N 2.74Å; N1342-T1362 PolarHBondContact OD1-OG1 3.05Å; I1360-T1362 HydrophobicContact CG2-CG2 4.49Å
1363L92Very high77.4Confident23 Ų2343.6 Ų43.612%0.1223%0.233CC..EExtended strand (participates in β ladder)trans-106.5121.3179.9-55.2176.7000109Y416 R417 L418 V1249 L1250 P1251 L1361Y416-L1363 WeakPolarHBondContact O-CB 3.45Å; Y416-L1363 PolarHBondContact O-N 3.13Å; R417-L1363 WeakPolarHBondContact CA-O 3.44Å; R417-L1363 HydrophobicContact CB-CB 4.39Å; R417-L1363 HydrophobicContact CG-CB 4.02Å; R417-L1363 HydrophobicContact CG-CD1 3.85Å; L418-L1363 PolarHBondContact N-O 3.5Å; V1249-L1363 HydrophobicContact CG1-CB 3.75Å; V1249-L1363 HydrophobicContact CG1-CD1 4.12Å; V1249-L1363 HydrophobicContact CG1-CD2 4.45Å; V1249-L1363 HydrophobicContact CG1-CG 4.32Å; L1250-L1363 WeakPolarHBondContact O-CA 3.46Å; P1251-L1363 HydrophobicContact CB-CD2 3.84Å; L1361-L1363 HydrophobicContact CD2-CD2 4.13Å; L1361-L1363 HydrophobicContact CG-CD2 4.05Å
1364N91.6Very high76Confident0 Ų043.3 Ų43.30%023%0.232CC..EExtended strand (participates in β ladder)trans-87.1126.4171.4-176.441000109.2T425 Q426 T428 Y450 F454 L1250 L1252T425-N1364 PolarHBondContact OG1-ND2 3.04Å; T425-N1364 PolarHBondContact OG1-OD1 3.33Å; Q426-N1364 PolarHBondContact O-ND2 2.86Å; Q426-N1364 VanDerWaalsContact O-ND2 3.1Å; T428-N1364 HydrophobicContact CG2-CB 4.17Å; T428-N1364 WeakPolarHBondContact CG2-ND2 3.33Å; Y450-N1364 PolarHBondContact OH-ND2 3.42Å; Y450-N1364 VanDerWaalsContact OH-ND2 3.13Å; F454-N1364 WeakPolarHBondContact CE2-OD1 3.15Å; F454-N1364 HydrophobicContact CZ-CB 4.21Å; L1250-N1364 PolarHBondContact N-O 2.93Å; L1250-N1364 PolarHBondContact O-N 3.44Å; L1252-N1364 HydrophobicContact CD1-CB 4.11Å; L1252-N1364 HydrophobicContact CD2-CB 4.12Å; L1252-N1364 HydrophobicContact CG-CB 4.22Å
1365E87.2Confident74.6Confident37 Ų3739.4 Ų39.417%0.17322%0.215CC..  trans-135.690.4173.8-172.2-165.2118.400108.4R417 L418 H419 V1249 W1367R417-E1365 IonicContact NH1-OE2 2.75Å; L418-E1365 PolarHBondContact O-N 2.88Å; H419-E1365 WeakPolarHBondContact CA-O 3.32Å; H419-E1365 IonicContact CE1-OE1 3.94Å; H419-E1365 PolarHBondContact CE1-OE1 3.29Å; H419-E1365 IonicContact CE1-OE2 3.23Å; H419-E1365 PolarHBondContact CE1-OE2 3.41Å; H419-E1365 PolarHBondContact ND1-O 2.95Å; H419-E1365 IonicContact ND1-OE1 3.16Å; H419-E1365 PolarHBondContact ND1-OE1 2.88Å; H419-E1365 IonicContact ND1-OE2 2.78Å; V1249-E1365 HydrophobicContact CG2-CB 4.3Å; V1249-E1365 HydrophobicContact CG2-CG 3.96Å; V1249-E1365 WeakPolarHBondContact CG2-OE2 3.39Å; E1365-W1367 PolarHBondContact OE1-NE1 3.37Å
1366P84.8Confident73Confident7 Ų741 Ų415%0.04523%0.227CC..  trans-75.4140.8-172.333.8-37.5000111T422 T425 T428 D1247T422-P1366 HydrophobicContact CG2-CB 3.92Å; T425-P1366 HydrophobicContact CG2-CB 3.54Å; T428-P1366 HydrophobicContact CG2-CG 4.23Å; D1247-P1366 HydrophobicContact CB-CG 3.55Å
1367W81.6Confident71.8Confident20 Ų2039 Ų398%0.07621%0.212CC..BIsolated β-bridgetrans-111.1139.4-178.4-73.4-2.8000111L387 H388 A391 F400 A403 H419 M420 D421 T422 E1365 L1369L387-W1367 HydrophobicContact CD2-CH2 3.4Å; L387-W1367 VanDerWaalsContact CD2-CH2 3.4Å; L387-W1367 HydrophobicContact CD2-CZ2 4.44Å; L387-W1367 HydrophobicContact CD2-CZ3 3.87Å; H388-W1367 HydrophobicContact CB-CH2 3.78Å; H388-W1367 HydrophobicContact CB-CZ2 4.47Å; H388-W1367 HydrophobicContact CB-CZ3 4.13Å; A391-W1367 HydrophobicContact CB-CE3 4.13Å; A391-W1367 HydrophobicContact CB-CZ3 3.77Å; F400-W1367 HydrophobicContact CZ-CE3 4.46Å; A403-W1367 HydrophobicContact CB-CZ3 4.48Å; H419-W1367 HydrophobicContact CB-CD2 3.83Å; H419-W1367 HydrophobicContact CB-CE3 4.07Å; H419-W1367 HydrophobicContact CB-CG 4.3Å; H419-W1367 HydrophobicContact CB-CH2 4.49Å; H419-W1367 HydrophobicContact CB-CZ2 4.22Å; H419-W1367 HydrophobicContact CB-CZ3 4.38Å; H419-W1367 AromaticContact CE1-CZ2 3.85Å; H419-W1367 AromaticContact CE1-NE1 3.95Å; H419-W1367 AromaticContact CG-CE2 3.69Å; H419-W1367 AromaticContact CG-CZ2 3.76Å; H419-W1367 AromaticContact CG-NE1 3.94Å; H419-W1367 AromaticContact ND1-CD1 3.99Å; H419-W1367 AromaticContact ND1-CE2 3.32Å; H419-W1367 VanDerWaalsContact ND1-CE2 3.32Å; H419-W1367 AromaticContact ND1-CZ2 3.52Å; H419-W1367 AromaticContact ND1-NE1 3.17Å; H419-W1367 PolarHBondContact ND1-NE1 3.42Å; H419-W1367 VanDerWaalsContact ND1-NE1 3.17Å; M420-W1367 PolarHBondContact O-N 3.05Å; D421-W1367 CarbonylContact C-O 3.54Å; D421-W1367 VanDerWaalsContact CA-O 3.28Å; D421-W1367 WeakPolarHBondContact CA-O 3.13Å; T422-W1367 PolarHBondContact N-O 3.42Å; T422-W1367 PolarHBondContact OG1-O 2.93Å; E1365-W1367 PolarHBondContact OE1-NE1 3.37Å; W1367-L1369 HydrophobicContact CB-CD1 4.34Å; W1367-L1369 HydrophobicContact CB-CG 4.1Å; W1367-L1369 HydrophobicContact CE3-CD1 4.42Å
1368K71.1Confident70.4Confident84 Ų8434 Ų3437%0.36519%0.191SC..  trans-99.681.1179.8-77162.6174.1155.40109.8T422 D1247 L1374T422-K1368 HydrophobicContact CG2-CG 3.74Å; T422-K1368 VanDerWaalsContact OG1-CG 3.3Å; T422-K1368 WeakPolarHBondContact OG1-CG 3.46Å; D1247-K1368 IonicContact OD1-NZ 2.74Å; D1247-K1368 WeakPolarHBondContact OD2-CE 3.36Å; D1247-K1368 IonicContact OD2-NZ 2.76Å; D1247-K1368 PolarHBondContact OD2-NZ 2.82Å; K1368-L1374 HydrophobicContact CB-CD1 4.49Å
1369L67.5Low68.8Low13 Ų1338.1 Ų38.17%0.06821%0.212CC..  trans-94.8-1.9-173.8-59.3166000112.5A391 Y392 N395 F400 D421 W1367A391-L1369 HydrophobicContact CB-CD1 4.16Å; Y392-L1369 HydrophobicContact CD2-CD2 4.37Å; N395-L1369 HydrophobicContact CB-CB 3.96Å; N395-L1369 HydrophobicContact CB-CD1 4.23Å; N395-L1369 WeakPolarHBondContact ND2-CB 3.26Å; N395-L1369 PolarHBondContact ND2-O 3.42Å; F400-L1369 HydrophobicContact CD1-CD1 3.55Å; F400-L1369 HydrophobicContact CE1-CD1 3.48Å; F400-L1369 VanDerWaalsContact CE1-CD1 3.48Å; F400-L1369 HydrophobicContact CG-CD1 4.34Å; F400-L1369 HydrophobicContact CZ-CD1 4.23Å; D421-L1369 WeakPolarHBondContact OD1-CB 3.31Å; D421-L1369 PolarHBondContact OD1-N 2.96Å; W1367-L1369 HydrophobicContact CB-CD1 4.34Å; W1367-L1369 HydrophobicContact CB-CG 4.1Å; W1367-L1369 HydrophobicContact CE3-CD1 4.42Å
1370G61.8Low66.9Low10 Ų1043.5 Ų43.510%0.10324%0.239CC..  trans-90.3125.9-178.100000115.4A1372 E1373 L1374G1370-A1372 PolarHBondContact O-N 3.17Å; G1370-E1373 WeakPolarHBondContact CA-OE2 3.45Å; G1370-E1373 PolarHBondContact N-OE2 3.44Å; G1370-E1373 VanDerWaalsContact N-OE2 3.14Å; G1370-E1373 PolarHBondContact O-N 3.39Å; G1370-L1374 VanDerWaalsContact O-CD1 3.25Å; G1370-L1374 WeakPolarHBondContact O-CD1 3.33Å; G1370-L1374 PolarHBondContact O-N 2.66Å
1371F54.4Low65Low130 Ų13046.8 Ų46.857%0.5725%0.251SS*.THydrogen-bonded Turntrans-61-28.1177.3-144.7-83.9000113.4Y1567F1371-Y1567 HydrophobicContact CD2-CE1 4.49Å; F1371-Y1567 AromaticContact CD2-CZ 4Å; F1371-Y1567 HydrophobicContact CE2-CE1 4.23Å; F1371-Y1567 AromaticContact CE2-CE2 3.95Å; F1371-Y1567 HydrophobicContact CE2-CE2 3.95Å; F1371-Y1567 AromaticContact CE2-CZ 3.73Å; F1371-Y1567 HydrophobicContact CZ-CE2 4.25Å
1372A49.9Very low63.2Low51 Ų5147.5 Ų47.542%0.42125%0.254SS..THydrogen-bonded Turntrans-80.9-34.6178.200000113.2G1370 L1374 S1375 T1376G1370-A1372 PolarHBondContact O-N 3.17Å; A1372-L1374 VanDerWaalsContact C-N 3.31Å; A1372-L1374 PolarHBondContact O-N 3.41Å; A1372-S1375 WeakPolarHBondContact O-CA 3.29Å; A1372-S1375 WeakPolarHBondContact O-CB 3.29Å; A1372-S1375 PolarHBondContact O-N 2.99Å; A1372-S1375 PolarHBondContact O-OG 3.1Å; A1372-T1376 PolarHBondContact O-N 3.36Å; A1372-T1376 VanDerWaalsContact O-N 3.17Å
1373E49.7Very low61.3Low42 Ų4250.8 Ų50.820%0.19628%0.281CS..Hα-helixtrans-64.8-38177.8-61.8174.410600111.4T422 G1370 S1375 S1377T422-E1373 WeakPolarHBondContact CB-OE1 3.49Å; T422-E1373 PolarHBondContact OG1-OE1 2.88Å; T422-E1373 PolarHBondContact OG1-OE2 2.74Å; G1370-E1373 WeakPolarHBondContact CA-OE2 3.45Å; G1370-E1373 PolarHBondContact N-OE2 3.44Å; G1370-E1373 VanDerWaalsContact N-OE2 3.14Å; G1370-E1373 PolarHBondContact O-N 3.39Å; E1373-S1375 PolarHBondContact O-N 3.19Å; E1373-S1377 WeakPolarHBondContact O-CB 3.5Å; E1373-S1377 PolarHBondContact O-N 3.31Å; E1373-S1377 PolarHBondContact O-OG 2.94Å
1374L51.4Low59.6Low27 Ų2750 Ų5014%0.14128%0.278CS..Hα-helixtrans-65.6-17.9171.3-83.787.1000113K1368 G1370 A1372 S1378K1368-L1374 HydrophobicContact CB-CD1 4.49Å; G1370-L1374 VanDerWaalsContact O-CD1 3.25Å; G1370-L1374 WeakPolarHBondContact O-CD1 3.33Å; G1370-L1374 PolarHBondContact O-N 2.66Å; A1372-L1374 VanDerWaalsContact C-N 3.31Å; A1372-L1374 PolarHBondContact O-N 3.41Å; L1374-S1378 WeakPolarHBondContact O-CB 3.32Å
1375S53.2Low57.9Low48 Ų4852 Ų5234%0.33629%0.289SS..Hα-helixtrans-84.8-60.4176.1910000110.9A1372 E1373 S1378 I1379A1372-S1375 WeakPolarHBondContact O-CA 3.29Å; A1372-S1375 WeakPolarHBondContact O-CB 3.29Å; A1372-S1375 PolarHBondContact O-N 2.99Å; A1372-S1375 PolarHBondContact O-OG 3.1Å; E1373-S1375 PolarHBondContact O-N 3.19Å; S1375-S1378 PolarHBondContact O-N 2.87Å; S1375-I1379 WeakPolarHBondContact O-CB 3.42Å; S1375-I1379 WeakPolarHBondContact O-CD1 3.27Å; S1375-I1379 WeakPolarHBondContact O-CG1 3.49Å; S1375-I1379 PolarHBondContact O-N 3.24Å
1376T45.7Very low56.7Low83 Ų8350.5 Ų50.551%0.50928%0.283SS..Hα-helixtrans-68.2-44.9-169.3560000113A1372 I1379 L1380A1372-T1376 PolarHBondContact O-N 3.36Å; A1372-T1376 VanDerWaalsContact O-N 3.17Å; T1376-I1379 PolarHBondContact O-N 2.77Å; T1376-L1380 PolarHBondContact O-N 3.1Å
1377S47.2Very low55.8Low51 Ų5152.2 Ų52.236%0.35730%0.296SS..Hα-helixtrans-65.6-42.3177.467.80000111.8E1373 L1380 R1381E1373-S1377 WeakPolarHBondContact O-CB 3.5Å; E1373-S1377 PolarHBondContact O-N 3.31Å; E1373-S1377 PolarHBondContact O-OG 2.94Å; S1377-L1380 PolarHBondContact O-N 3.48Å; S1377-R1381 WeakPolarHBondContact O-CG 3.37Å; S1377-R1381 PolarHBondContact O-N 2.91Å
1378S50Low55.3Low22 Ų2251.5 Ų51.515%0.15429%0.293CS..Hα-helixtrans-68.3-38175.3-166.80000111.8L1374 S1375 R1381 Q1382L1374-S1378 WeakPolarHBondContact O-CB 3.32Å; S1375-S1378 PolarHBondContact O-N 2.87Å; S1378-R1381 CarbonylContact O-C 3.6Å; S1378-R1381 PolarHBondContact O-N 3.5Å; S1378-R1381 VanDerWaalsContact O-N 3.17Å; S1378-Q1382 WeakPolarHBondContact O-CB 3.1Å; S1378-Q1382 WeakPolarHBondContact O-CG 3.22Å; S1378-Q1382 PolarHBondContact O-N 2.84Å; S1378-Q1382 PolarHBondContact O-NE2 3.44Å; S1378-Q1382 PolarHBondContact OG-NE2 2.91Å
1379I47.1Very low55.5Low94 Ų9447.6 Ų47.648%0.48228%0.276SS..Hα-helixtrans-66.5-38.2178.1-73.9164.5000111S1375 T1376 R1381 Q1382 A1383S1375-I1379 WeakPolarHBondContact O-CB 3.42Å; S1375-I1379 WeakPolarHBondContact O-CD1 3.27Å; S1375-I1379 WeakPolarHBondContact O-CG1 3.49Å; S1375-I1379 PolarHBondContact O-N 3.24Å; T1376-I1379 PolarHBondContact O-N 2.77Å; I1379-R1381 VanDerWaalsContact C-N 3.35Å; I1379-Q1382 PolarHBondContact O-N 3.17Å; I1379-A1383 PolarHBondContact O-N 3.19Å
1380L47.3Very low55.8Low131 Ų13149.4 Ų49.469%0.68628%0.284SS*.Hα-helixtrans-67.2-33.3172.1-78.1163.3000112.5T1376 S1377 G1384T1376-L1380 PolarHBondContact O-N 3.1Å; S1377-L1380 PolarHBondContact O-N 3.48Å; L1380-G1384 PolarHBondContact O-N 3.46Å
1381R50.9Low56.4Low72 Ų7251.2 Ų51.227%0.27229%0.291SS..Hα-helixtrans-70-40.5169.1-72.4-179.5178153.16.4112.5D1244 D1245 S1377 S1378 I1379 A1383 G1384 D1385D1244-R1381 VanDerWaalsContact C-NH2 3.31Å; D1244-R1381 PolarHBondContact O-NH2 3.25Å; D1245-R1381 IonicContact OD1-NH1 2.67Å; D1245-R1381 PolarHBondContact OD1-NH1 3.19Å; D1245-R1381 IonicContact OD2-CZ 3.2Å; D1245-R1381 IonicContact OD2-NE 3.52Å; D1245-R1381 IonicContact OD2-NH1 2.73Å; D1245-R1381 PolarHBondContact OD2-NH1 2.79Å; S1377-R1381 WeakPolarHBondContact O-CG 3.37Å; S1377-R1381 PolarHBondContact O-N 2.91Å; S1378-R1381 CarbonylContact O-C 3.6Å; S1378-R1381 PolarHBondContact O-N 3.5Å; S1378-R1381 VanDerWaalsContact O-N 3.17Å; I1379-R1381 VanDerWaalsContact C-N 3.35Å; R1381-A1383 VanDerWaalsContact C-N 3.31Å; R1381-A1383 PolarHBondContact O-N 2.87Å; R1381-G1384 CarbonylContact O-C 3.56Å; R1381-G1384 WeakPolarHBondContact O-CA 3.25Å; R1381-G1384 PolarHBondContact O-N 3.21Å; R1381-D1385 PolarHBondContact O-N 3.23Å
1382Q51.3Low57.6Low51 Ų5145.3 Ų45.324%0.23827%0.265CS..Hα-helixtrans-64.2-32.2175.2-70.9163.340.900112.3S1378 I1379 G1384 D1385 G1386 M1559S1378-Q1382 WeakPolarHBondContact O-CB 3.1Å; S1378-Q1382 WeakPolarHBondContact O-CG 3.22Å; S1378-Q1382 PolarHBondContact O-N 2.84Å; S1378-Q1382 PolarHBondContact O-NE2 3.44Å; S1378-Q1382 PolarHBondContact OG-NE2 2.91Å; I1379-Q1382 PolarHBondContact O-N 3.17Å; Q1382-G1384 VanDerWaalsContact C-N 3.26Å; Q1382-D1385 PolarHBondContact O-N 3.19Å; Q1382-G1386 PolarHBondContact O-N 3.44Å; Q1382-M1559 HydrophobicContact CG-CB 4.07Å; Q1382-M1559 HydrophobicContact CG-CE 3.58Å; Q1382-M1559 HydrophobicContact CG-CG 4.01Å
1383A51.4Low59.2Low70 Ų7043 Ų4358%0.57925%0.245SC*.Hα-helixtrans-65.9-32168.100000111.6I1379 R1381 S1387I1379-A1383 PolarHBondContact O-N 3.19Å; R1381-A1383 VanDerWaalsContact C-N 3.31Å; R1381-A1383 PolarHBondContact O-N 2.87Å; A1383-S1387 PolarHBondContact O-N 3.31Å
1384G57.1Low60.7Low7 Ų743.6 Ų43.67%0.07225%0.249CC..Hα-helixtrans-61.5-52.1167.100000112.9L1380 R1381 Q1382 G1386 S1387L1380-G1384 PolarHBondContact O-N 3.46Å; R1381-G1384 CarbonylContact O-C 3.56Å; R1381-G1384 WeakPolarHBondContact O-CA 3.25Å; R1381-G1384 PolarHBondContact O-N 3.21Å; Q1382-G1384 VanDerWaalsContact C-N 3.26Å; G1384-G1386 VanDerWaalsContact C-N 3.31Å; G1384-G1386 PolarHBondContact O-N 2.91Å; G1384-S1387 WeakPolarHBondContact O-CB 3.48Å; G1384-S1387 PolarHBondContact O-N 2.96Å; G1384-S1387 PolarHBondContact O-OG 2.89Å
1385D56.2Low62.2Low42 Ų4242.3 Ų42.323%0.22524%0.243CC..Hα-helixtrans-66.3-35.6177.5-61.6-35.1000112R1381 Q1382 S1387 M1388R1381-D1385 PolarHBondContact O-N 3.23Å; Q1382-D1385 PolarHBondContact O-N 3.19Å; D1385-S1387 PolarHBondContact O-N 2.89Å; D1385-M1388 VanDerWaalsContact O-CB 3.23Å; D1385-M1388 WeakPolarHBondContact O-CB 3.47Å; D1385-M1388 WeakPolarHBondContact O-CG 3.21Å; D1385-M1388 PolarHBondContact O-N 2.74Å
1386G61.9Low63.7Low5 Ų540.3 Ų40.35%0.05223%0.228CC..Hα-helixtrans-58-24.8170.800000113.4Q1382 G1384 M1388 V1389 F1390Q1382-G1386 PolarHBondContact O-N 3.44Å; G1384-G1386 VanDerWaalsContact C-N 3.31Å; G1384-G1386 PolarHBondContact O-N 2.91Å; G1386-M1388 PolarHBondContact O-N 3.34Å; G1386-V1389 WeakPolarHBondContact O-CB 3.12Å; G1386-V1389 PolarHBondContact O-N 3.27Å; G1386-V1389 VanDerWaalsContact O-N 3.13Å; G1386-F1390 WeakPolarHBondContact O-CD2 3.47Å
1387S65.8Low65.6Low44 Ų4436.4 Ų36.431%0.30820%0.204SC..Hα-helixtrans-61.3-29173.180.10000112.7A1383 G1384 D1385 V1389 F1390 I1391A1383-S1387 PolarHBondContact O-N 3.31Å; G1384-S1387 WeakPolarHBondContact O-CB 3.48Å; G1384-S1387 PolarHBondContact O-N 2.96Å; G1384-S1387 PolarHBondContact O-OG 2.89Å; D1385-S1387 PolarHBondContact O-N 2.89Å; S1387-V1389 VanDerWaalsContact C-N 3.3Å; S1387-V1389 PolarHBondContact O-N 3.38Å; S1387-F1390 PolarHBondContact O-N 2.93Å; S1387-F1390 VanDerWaalsContact O-N 3.17Å; S1387-I1391 WeakPolarHBondContact O-CG1 3.32Å; S1387-I1391 PolarHBondContact O-N 2.84Å
1388M70.8Confident67.4Low4 Ų435.3 Ų35.32%0.0219%0.194CC..Hα-helixtrans-64.2-35.7176-62.3-62.6-111.800112.2A1234 M1235 V1238 D1385 G1386 F1390 I1391 L1392 M1457 F1460A1234-M1388 HydrophobicContact CB-SD 4.14Å; A1234-M1388 WeakPolarHBondContact O-CE 3.43Å; M1235-M1388 HydrophobicContact CG-CE 4.41Å; M1235-M1388 HydrophobicContact SD-CE 3.83Å; V1238-M1388 HydrophobicContact CB-CE 3.52Å; V1238-M1388 HydrophobicContact CB-SD 4.08Å; V1238-M1388 HydrophobicContact CG1-CE 4.14Å; V1238-M1388 HydrophobicContact CG2-CE 3.58Å; V1238-M1388 HydrophobicContact CG2-CG 4.06Å; V1238-M1388 HydrophobicContact CG2-SD 3.4Å; V1238-M1388 WeakPolarHBondContact CG2-SD 3.35Å; D1385-M1388 VanDerWaalsContact O-CB 3.23Å; D1385-M1388 WeakPolarHBondContact O-CB 3.47Å; D1385-M1388 WeakPolarHBondContact O-CG 3.21Å; D1385-M1388 PolarHBondContact O-N 2.74Å; G1386-M1388 PolarHBondContact O-N 3.34Å; M1388-F1390 VanDerWaalsContact C-N 3.34Å; M1388-F1390 PolarHBondContact O-N 3.39Å; M1388-I1391 PolarHBondContact O-N 3.43Å; M1388-I1391 HydrophobicContact SD-CD1 4.46Å; M1388-L1392 WeakPolarHBondContact O-CG 3.3Å; M1388-L1392 PolarHBondContact O-N 3.25Å; M1388-M1457 HydrophobicContact CE-CE 3.67Å; M1388-M1457 HydrophobicContact CE-SD 3.97Å; M1388-F1460 HydrophobicContact CB-CE2 4.43Å; M1388-F1460 HydrophobicContact CB-CZ 4.17Å
1389V74.4Confident69.1Low2 Ų234.4 Ų34.41%0.01219%0.188CC..Hα-helixtrans-59-48.2174.1-179.90000109.7G1386 S1387 I1391 L1392 L1393 F1551 L1552G1386-V1389 WeakPolarHBondContact O-CB 3.12Å; G1386-V1389 PolarHBondContact O-N 3.27Å; G1386-V1389 VanDerWaalsContact O-N 3.13Å; S1387-V1389 VanDerWaalsContact C-N 3.3Å; S1387-V1389 PolarHBondContact O-N 3.38Å; V1389-I1391 VanDerWaalsContact C-N 3.3Å; V1389-I1391 PolarHBondContact O-N 2.87Å; V1389-L1392 PolarHBondContact O-N 3.26Å; V1389-L1393 HydrophobicContact CG1-CD1 4.23Å; V1389-L1393 HydrophobicContact CG1-CG 4.4Å; V1389-L1393 VanDerWaalsContact O-CG 3.26Å; V1389-L1393 WeakPolarHBondContact O-CG 3.38Å; V1389-L1393 PolarHBondContact O-N 3.13Å; V1389-F1551 HydrophobicContact CB-CB 4.43Å; V1389-F1551 HydrophobicContact CG1-CB 3.74Å; V1389-F1551 HydrophobicContact CG1-CD2 4.19Å; V1389-F1551 HydrophobicContact CG2-CB 3.87Å; V1389-L1552 HydrophobicContact CB-CD2 4.25Å; V1389-L1552 HydrophobicContact CB-CG 4.39Å; V1389-L1552 HydrophobicContact CG1-CG 4.22Å; V1389-L1552 HydrophobicContact CG2-CD2 3.89Å; V1389-L1552 HydrophobicContact CG2-CG 4.17Å
1390F75.1Confident71.1Confident51 Ų5130.3 Ų30.322%0.22417%0.167CC..Hα-helixtrans-60.2-36.9177.9-68.7-83.6000113G1386 S1387 M1388 L1393 I1394 M1513 L1517G1386-F1390 WeakPolarHBondContact O-CD2 3.47Å; S1387-F1390 PolarHBondContact O-N 2.93Å; S1387-F1390 VanDerWaalsContact O-N 3.17Å; M1388-F1390 VanDerWaalsContact C-N 3.34Å; M1388-F1390 PolarHBondContact O-N 3.39Å; F1390-L1393 PolarHBondContact O-N 3.33Å; F1390-I1394 WeakPolarHBondContact O-CG1 3.4Å; F1390-I1394 PolarHBondContact O-N 2.88Å; F1390-I1394 VanDerWaalsContact O-N 3.09Å; F1390-M1513 HydrophobicContact CE1-CB 3.72Å; F1390-M1513 HydrophobicContact CE1-CG 4.04Å; F1390-M1513 HydrophobicContact CZ-CB 3.55Å; F1390-M1513 HydrophobicContact CZ-CG 4.09Å; F1390-L1517 HydrophobicContact CZ-CD1 4.25Å
1391I74.5Confident73Confident49 Ų4924.1 Ų24.125%0.25113%0.134SC..Hα-helixtrans-73.3-38.7179-54.8164.7000111.5A1234 S1387 M1388 V1389 L1393 I1394 A1395A1234-I1391 HydrophobicContact CB-CB 4.15Å; A1234-I1391 HydrophobicContact CB-CD1 3.64Å; A1234-I1391 HydrophobicContact CB-CG1 4.47Å; A1234-I1391 HydrophobicContact CB-CG2 3.68Å; S1387-I1391 WeakPolarHBondContact O-CG1 3.32Å; S1387-I1391 PolarHBondContact O-N 2.84Å; M1388-I1391 PolarHBondContact O-N 3.43Å; M1388-I1391 HydrophobicContact SD-CD1 4.46Å; V1389-I1391 VanDerWaalsContact C-N 3.3Å; V1389-I1391 PolarHBondContact O-N 2.87Å; I1391-L1393 VanDerWaalsContact C-N 3.3Å; I1391-L1393 PolarHBondContact O-N 3.1Å; I1391-I1394 WeakPolarHBondContact O-CB 3.4Å; I1391-I1394 PolarHBondContact O-N 2.97Å; I1391-I1394 VanDerWaalsContact O-N 3.16Å; I1391-A1395 PolarHBondContact O-N 3.42Å
1392L78.3Confident74.6Confident5 Ų521.6 Ų21.63%0.02613%0.128CC..Hα-helixtrans-59.9-38.8170.1-70.8169.2000111.7E1231 M1235 M1388 V1389 I1394 A1395 F1396 F1460 F1551E1231-L1392 HydrophobicContact CG-CD2 3.83Å; E1231-L1392 VanDerWaalsContact OE1-CD2 3.24Å; E1231-L1392 WeakPolarHBondContact OE1-CD2 3.42Å; M1235-L1392 HydrophobicContact CE-CD2 4.31Å; M1388-L1392 WeakPolarHBondContact O-CG 3.3Å; M1388-L1392 PolarHBondContact O-N 3.25Å; V1389-L1392 PolarHBondContact O-N 3.26Å; L1392-I1394 PolarHBondContact O-N 2.91Å; L1392-A1395 WeakPolarHBondContact O-CB 3.3Å; L1392-A1395 PolarHBondContact O-N 2.92Å; L1392-F1396 HydrophobicContact CB-CD2 4.49Å; L1392-F1396 HydrophobicContact CB-CE2 4.23Å; L1392-F1396 WeakPolarHBondContact O-CD2 3.41Å; L1392-F1396 PolarHBondContact O-N 3.42Å; L1392-F1460 HydrophobicContact CD1-CE1 4.46Å; L1392-F1460 HydrophobicContact CD1-CE2 4.31Å; L1392-F1460 HydrophobicContact CD1-CZ 3.91Å; L1392-F1551 HydrophobicContact CB-CE2 4.3Å; L1392-F1551 HydrophobicContact CD1-CD2 4.31Å; L1392-F1551 HydrophobicContact CD1-CE2 4.18Å
1393L83.7Confident76.2Confident3 Ų320 Ų202%0.01613%0.126CC..Hα-helixtrans-65.9-34.9174.8-63.8175.4000112.6V1389 F1390 I1391 G1397 P1509 I1544 L1547V1389-L1393 HydrophobicContact CG1-CD1 4.23Å; V1389-L1393 HydrophobicContact CG1-CG 4.4Å; V1389-L1393 VanDerWaalsContact O-CG 3.26Å; V1389-L1393 WeakPolarHBondContact O-CG 3.38Å; V1389-L1393 PolarHBondContact O-N 3.13Å; F1390-L1393 PolarHBondContact O-N 3.33Å; I1391-L1393 VanDerWaalsContact C-N 3.3Å; I1391-L1393 PolarHBondContact O-N 3.1Å; L1393-G1397 WeakPolarHBondContact O-CA 3.3Å; L1393-G1397 PolarHBondContact O-N 2.79Å; L1393-P1509 HydrophobicContact CD1-CB 3.68Å; L1393-P1509 HydrophobicContact CD1-CG 4.16Å; L1393-I1544 HydrophobicContact CB-CG1 4.4Å; L1393-I1544 HydrophobicContact CD2-CG1 3.83Å; L1393-I1544 WeakPolarHBondContact CD2-O 3.44Å; L1393-L1547 HydrophobicContact CD2-CB 4.12Å; L1393-L1547 HydrophobicContact CD2-CD2 3.82Å; L1393-L1547 HydrophobicContact CD2-CG 3.92Å
1394I82.3Confident77.9Confident54 Ų5416.7 Ų16.728%0.27710%0.098SC..Hα-helixtrans-63.8-44.8172-67.8162.9000110.5F1390 I1391 L1392 G1397 L1398 F1502 L1506F1390-I1394 WeakPolarHBondContact O-CG1 3.4Å; F1390-I1394 PolarHBondContact O-N 2.88Å; F1390-I1394 VanDerWaalsContact O-N 3.09Å; I1391-I1394 WeakPolarHBondContact O-CB 3.4Å; I1391-I1394 PolarHBondContact O-N 2.97Å; I1391-I1394 VanDerWaalsContact O-N 3.16Å; L1392-I1394 PolarHBondContact O-N 2.91Å; I1394-G1397 PolarHBondContact O-N 3.12Å; I1394-L1398 PolarHBondContact O-N 2.97Å; I1394-F1502 HydrophobicContact CG2-CE2 4.31Å; I1394-F1502 HydrophobicContact CG2-CZ 4.21Å; I1394-L1506 HydrophobicContact CD1-CD1 4.42Å; I1394-L1506 HydrophobicContact CG1-CD1 3.98Å; I1394-L1506 HydrophobicContact CG1-CG 4.23Å
1395A82.1Confident79.3Confident0 Ų018 Ų180%011%0.105CC..Hα-helixtrans-58.5-55.2177.100000111.5P1227 I1391 L1392 G1397 L1398 V1399P1227-A1395 HydrophobicContact CB-CB 3.85Å; I1391-A1395 PolarHBondContact O-N 3.42Å; L1392-A1395 WeakPolarHBondContact O-CB 3.3Å; L1392-A1395 PolarHBondContact O-N 2.92Å; A1395-G1397 PolarHBondContact O-N 2.83Å; A1395-L1398 PolarHBondContact O-N 2.88Å; A1395-V1399 PolarHBondContact O-N 3.09Å
1396F85.2Confident80.8Confident7 Ų717.5 Ų17.53%0.03110%0.1CC..Hα-helixtrans-66-37.3178.7-65.6-54000113.2L1392 L1398 V1399 V1400 L1445 C1448 F1476 L1547 F1551L1392-F1396 HydrophobicContact CB-CD2 4.49Å; L1392-F1396 HydrophobicContact CB-CE2 4.23Å; L1392-F1396 WeakPolarHBondContact O-CD2 3.41Å; L1392-F1396 PolarHBondContact O-N 3.42Å; F1396-L1398 PolarHBondContact O-N 3.19Å; F1396-V1399 PolarHBondContact O-N 3.4Å; F1396-V1399 VanDerWaalsContact O-N 3.16Å; F1396-V1400 WeakPolarHBondContact O-CG2 3.36Å; F1396-V1400 PolarHBondContact O-N 3.11Å; F1396-V1400 VanDerWaalsContact O-N 3.09Å; F1396-L1445 HydrophobicContact CD1-CD2 3.78Å; F1396-L1445 HydrophobicContact CE1-CD2 3.43Å; F1396-L1445 VanDerWaalsContact CE1-CD2 3.43Å; F1396-L1445 HydrophobicContact CZ-CD2 4.25Å; F1396-C1448 HydrophobicContact CE1-CB 3.92Å; F1396-C1448 VanDerWaalsContact CE1-SG 3.51Å; F1396-C1448 HydrophobicContact CZ-CB 3.85Å; F1396-F1476 HydrophobicContact CB-CE1 3.96Å; F1396-F1476 HydrophobicContact CB-CZ 4.22Å; F1396-L1547 HydrophobicContact CB-CD2 4.42Å; F1396-L1547 HydrophobicContact CD2-CD2 3.79Å; F1396-L1547 HydrophobicContact CE2-CD2 4.48Å; F1396-L1547 HydrophobicContact CG-CD2 4.31Å; F1396-F1551 HydrophobicContact CE2-CE2 4.02Å; F1396-F1551 HydrophobicContact CE2-CZ 4.24Å
1397G85.7Confident82.2Confident1 Ų117.2 Ų17.21%0.0110%0.097CC..Hα-helixtrans-59.1-32.3178.100000113.4L1393 I1394 A1395 A1401 N1505L1393-G1397 WeakPolarHBondContact O-CA 3.3Å; L1393-G1397 PolarHBondContact O-N 2.79Å; I1394-G1397 PolarHBondContact O-N 3.12Å; A1395-G1397 PolarHBondContact O-N 2.83Å; G1397-A1401 WeakPolarHBondContact O-CB 3.21Å; G1397-A1401 PolarHBondContact O-N 3.12Å; G1397-N1505 PolarHBondContact O-ND2 2.94Å
1398L84.5Confident83.3Confident28 Ų2815.1 Ų15.115%0.1478%0.083CC..Hα-helixtrans-72.5-43174.4-178.562.9000112.8L1226 P1227 I1394 A1395 F1396 V1400 A1401 S1402 F1502L1226-L1398 HydrophobicContact CB-CD2 4.1Å; L1226-L1398 HydrophobicContact CD2-CD2 3.83Å; L1226-L1398 HydrophobicContact CG-CD2 4.24Å; P1227-L1398 HydrophobicContact CG-CD2 4.13Å; I1394-L1398 PolarHBondContact O-N 2.97Å; A1395-L1398 PolarHBondContact O-N 2.88Å; F1396-L1398 PolarHBondContact O-N 3.19Å; L1398-V1400 VanDerWaalsContact C-N 3.34Å; L1398-V1400 PolarHBondContact O-N 3.13Å; L1398-A1401 PolarHBondContact O-N 3.34Å; L1398-S1402 PolarHBondContact O-N 2.93Å; L1398-F1502 HydrophobicContact CB-CD2 3.97Å; L1398-F1502 HydrophobicContact CB-CE2 3.86Å; L1398-F1502 HydrophobicContact CD1-CD2 4.1Å; L1398-F1502 HydrophobicContact CD1-CE2 4.33Å; L1398-F1502 HydrophobicContact CD1-CG 4.5Å
1399V85.9Confident84.1Confident3 Ų317.1 Ų17.12%0.0189%0.093CC..Hα-helixtrans-61.1-45.9178-170.10000110V1223 P1227 A1395 F1396 A1401 S1402 M1441V1223-V1399 HydrophobicContact CG1-CG1 4.32Å; P1227-V1399 HydrophobicContact CB-CG2 4.28Å; P1227-V1399 HydrophobicContact CG-CG2 3.65Å; A1395-V1399 PolarHBondContact O-N 3.09Å; F1396-V1399 PolarHBondContact O-N 3.4Å; F1396-V1399 VanDerWaalsContact O-N 3.16Å; V1399-A1401 VanDerWaalsContact C-N 3.34Å; V1399-A1401 PolarHBondContact O-N 2.86Å; V1399-S1402 WeakPolarHBondContact O-CB 3.3Å; V1399-S1402 PolarHBondContact O-N 2.9Å; V1399-S1402 VanDerWaalsContact O-N 3.15Å; V1399-S1402 PolarHBondContact O-OG 2.8Å; V1399-M1441 HydrophobicContact CB-CE 4.27Å; V1399-M1441 HydrophobicContact CB-SD 4.05Å; V1399-M1441 HydrophobicContact CG1-CE 4.18Å; V1399-M1441 HydrophobicContact CG1-SD 3.61Å
1400V89Confident84.8Confident8 Ų817.1 Ų17.15%0.0489%0.093CC..Hα-helixtrans-57.6-44.3176173.20000111.8F1396 L1398 S1402 M1441 F1476 C1480 V1484 N1505F1396-V1400 WeakPolarHBondContact O-CG2 3.36Å; F1396-V1400 PolarHBondContact O-N 3.11Å; F1396-V1400 VanDerWaalsContact O-N 3.09Å; L1398-V1400 VanDerWaalsContact C-N 3.34Å; L1398-V1400 PolarHBondContact O-N 3.13Å; V1400-S1402 PolarHBondContact O-N 3.28Å; V1400-M1441 HydrophobicContact CB-SD 4.38Å; V1400-M1441 HydrophobicContact CG2-CE 3.57Å; V1400-M1441 HydrophobicContact CG2-SD 3.74Å; V1400-F1476 HydrophobicContact CG2-CE1 3.96Å; V1400-F1476 HydrophobicContact CG2-CZ 3.8Å; V1400-C1480 HydrophobicContact CG1-CB 4.03Å; V1400-C1480 HydrophobicContact CG2-CB 3.86Å; V1400-V1484 HydrophobicContact CG1-CG2 3.54Å; V1400-N1505 WeakPolarHBondContact CG1-ND2 3.3Å
1401A86.7Confident85.4Confident0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-65.3-26.3-179.700000113.4G1397 L1398 V1399 G1403 S1404 I1498 I1501 F1502G1397-A1401 WeakPolarHBondContact O-CB 3.21Å; G1397-A1401 PolarHBondContact O-N 3.12Å; L1398-A1401 PolarHBondContact O-N 3.34Å; V1399-A1401 VanDerWaalsContact C-N 3.34Å; V1399-A1401 PolarHBondContact O-N 2.86Å; A1401-G1403 VanDerWaalsContact C-N 3.35Å; A1401-G1403 PolarHBondContact O-N 3.4Å; A1401-S1404 PolarHBondContact O-OG 3.36Å; A1401-I1498 HydrophobicContact CB-CG1 4.06Å; A1401-I1501 HydrophobicContact CB-CB 4.2Å; A1401-I1501 HydrophobicContact CB-CG2 3.98Å; A1401-F1502 HydrophobicContact CB-CB 3.82Å
1402S85.4Confident85.9Confident20 Ų2020.4 Ų20.414%0.1411%0.11CC..Hα-helixtrans-64.6-34.8-178.177.60000113.9V1223 L1398 V1399 V1400 S1404 V1405V1223-S1402 WeakPolarHBondContact CG1-OG 3.42Å; V1223-S1402 VanDerWaalsContact CG2-CB 3.5Å; L1398-S1402 PolarHBondContact O-N 2.93Å; V1399-S1402 WeakPolarHBondContact O-CB 3.3Å; V1399-S1402 PolarHBondContact O-N 2.9Å; V1399-S1402 VanDerWaalsContact O-N 3.15Å; V1399-S1402 PolarHBondContact O-OG 2.8Å; V1400-S1402 PolarHBondContact O-N 3.28Å; S1402-S1404 PolarHBondContact O-N 2.92Å; S1402-V1405 WeakPolarHBondContact O-CB 3.23Å; S1402-V1405 PolarHBondContact O-N 3.02Å; S1402-V1405 VanDerWaalsContact O-N 3.15Å
1403G84Confident86.1Confident18 Ų1822.6 Ų22.619%0.18612%0.122CC..Hα-helixtrans-62.1-28.2-176.100000113.7A1401 V1405A1401-G1403 VanDerWaalsContact C-N 3.35Å; A1401-G1403 PolarHBondContact O-N 3.4Å; G1403-V1405 VanDerWaalsContact C-N 3.28Å; G1403-V1405 PolarHBondContact O-N 3.41Å
1404S88.4Confident86.1Confident0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-66.2-28.6178.771.20000113.2A1401 S1402 Y1406 L1407 V1408A1401-S1404 PolarHBondContact O-OG 3.36Å; S1402-S1404 PolarHBondContact O-N 2.92Å; S1404-Y1406 PolarHBondContact O-N 3.23Å; S1404-L1407 PolarHBondContact O-N 3.22Å; S1404-V1408 WeakPolarHBondContact O-CB 3.49Å; S1404-V1408 WeakPolarHBondContact O-CG2 3.45Å; S1404-V1408 PolarHBondContact O-N 3.39Å
1405V85.9Confident86.3Confident34 Ų3421 Ų2121%0.20612%0.119CC..Hα-helixtrans-62.1-45.6-171.1177.60000111.8S1402 G1403 N1409 S1494 I1498S1402-V1405 WeakPolarHBondContact O-CB 3.23Å; S1402-V1405 PolarHBondContact O-N 3.02Å; S1402-V1405 VanDerWaalsContact O-N 3.15Å; G1403-V1405 VanDerWaalsContact C-N 3.28Å; G1403-V1405 PolarHBondContact O-N 3.41Å; V1405-N1409 WeakPolarHBondContact O-CB 3.44Å; V1405-N1409 PolarHBondContact O-N 2.71Å; V1405-S1494 WeakPolarHBondContact O-CB 3.41Å; V1405-I1498 HydrophobicContact CG2-CB 3.73Å; V1405-I1498 HydrophobicContact CG2-CD1 3.82Å; V1405-I1498 HydrophobicContact CG2-CG1 4.23Å; V1405-I1498 HydrophobicContact CG2-CG2 4.16Å
1406Y87.9Confident86.6Confident31 Ų3122.5 Ų22.512%0.12213%0.125CC..Hα-helixtrans-72.9-43.1-178.9-179.6-94000111.5K1208 R1209 H1212 S1404 N1409 E1410K1208-Y1406 VanDerWaalsContact CE-OH 3.24Å; K1208-Y1406 WeakPolarHBondContact CE-OH 3.41Å; K1208-Y1406 PolarHBondContact NZ-OH 2.93Å; R1209-Y1406 HydrophobicContact CG-CE1 4.02Å; H1212-Y1406 HydrophobicContact CB-CE2 4.4Å; H1212-Y1406 AromaticContact CD2-CE2 3.86Å; H1212-Y1406 AromaticContact CE1-CD2 3.52Å; H1212-Y1406 AromaticContact CE1-CE2 3.74Å; H1212-Y1406 AromaticContact CG-CE2 3.72Å; H1212-Y1406 AromaticContact ND1-CD2 3.67Å; H1212-Y1406 AromaticContact ND1-CE2 3.63Å; H1212-Y1406 AromaticContact NE2-CE2 3.89Å; S1404-Y1406 PolarHBondContact O-N 3.23Å; Y1406-N1409 PolarHBondContact O-N 2.88Å; Y1406-E1410 HydrophobicContact CE1-CB 4.34Å; Y1406-E1410 WeakPolarHBondContact CE1-OE2 3.43Å; Y1406-E1410 WeakPolarHBondContact O-CB 3.24Å; Y1406-E1410 PolarHBondContact O-N 3.44Å; Y1406-E1410 PolarHBondContact OH-OE1 3.46Å
1407L90.4Very high86.7Confident0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-61-48.3179.6-67.3170.8000112.3R1209 S1404 N1409 E1410 R1411 W1430 A1433 E1488R1209-L1407 VanDerWaalsContact NH2-CD2 3.32Å; S1404-L1407 PolarHBondContact O-N 3.22Å; L1407-N1409 VanDerWaalsContact C-N 3.32Å; L1407-N1409 PolarHBondContact O-N 3.37Å; L1407-E1410 PolarHBondContact O-N 3.01Å; L1407-R1411 WeakPolarHBondContact O-CB 3.48Å; L1407-R1411 PolarHBondContact O-N 3.42Å; L1407-W1430 HydrophobicContact CD2-CZ3 4.4Å; L1407-A1433 HydrophobicContact CD2-CB 4.23Å; L1407-E1488 HydrophobicContact CB-CB 4.42Å; L1407-E1488 HydrophobicContact CB-CG 4.35Å
1408V89.6Confident86.8Confident0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-64.3-38.2178.9175.50000110.9S1404 R1411 V1412 E1488 F1491 A1497S1404-V1408 WeakPolarHBondContact O-CB 3.49Å; S1404-V1408 WeakPolarHBondContact O-CG2 3.45Å; S1404-V1408 PolarHBondContact O-N 3.39Å; V1408-R1411 WeakPolarHBondContact O-CB 3.25Å; V1408-R1411 PolarHBondContact O-N 3.18Å; V1408-V1412 HydrophobicContact CG1-CG2 4.01Å; V1408-V1412 WeakPolarHBondContact O-CB 3.35Å; V1408-V1412 WeakPolarHBondContact O-CG2 3.21Å; V1408-V1412 PolarHBondContact O-N 2.76Å; V1408-E1488 HydrophobicContact CG2-CB 3.98Å; V1408-F1491 WeakPolarHBondContact CG1-O 3.49Å; V1408-A1497 HydrophobicContact CG2-CB 4.1Å
1409N87.2Confident87Confident45 Ų4523 Ų2324%0.24113%0.127CC..Hα-helixtrans-66.4-46.3175.8-177.466.7000112.4V1405 Y1406 L1407 R1411 V1412 N1413V1405-N1409 WeakPolarHBondContact O-CB 3.44Å; V1405-N1409 PolarHBondContact O-N 2.71Å; Y1406-N1409 PolarHBondContact O-N 2.88Å; L1407-N1409 VanDerWaalsContact C-N 3.32Å; L1407-N1409 PolarHBondContact O-N 3.37Å; N1409-R1411 PolarHBondContact O-N 2.96Å; N1409-V1412 PolarHBondContact O-N 2.95Å; N1409-N1413 PolarHBondContact ND2-ND2 3.23Å; N1409-N1413 WeakPolarHBondContact O-CB 3.35Å; N1409-N1413 VanDerWaalsContact O-CG 3.3Å; N1409-N1413 PolarHBondContact O-N 3.4Å; N1409-N1413 PolarHBondContact O-ND2 2.9Å; N1409-N1413 PolarHBondContact OD1-ND2 3.24Å
1410E88.6Confident87Confident3 Ų328.6 Ų28.61%0.01415%0.148CC..Hα-helixtrans-61.9-27.4175.9-175.7158.6-116.200112K1208 R1209 Y1406 L1407 E1415 K1416 Q1419 Y1429K1208-E1410 IonicContact NZ-OE1 3.59Å; K1208-E1410 PolarHBondContact NZ-OE1 2.89Å; R1209-E1410 IonicContact CZ-OE2 3.78Å; R1209-E1410 IonicContact NH2-OE2 3.87Å; R1209-E1410 PolarHBondContact NH2-OE2 3.03Å; Y1406-E1410 HydrophobicContact CE1-CB 4.34Å; Y1406-E1410 WeakPolarHBondContact CE1-OE2 3.43Å; Y1406-E1410 WeakPolarHBondContact O-CB 3.24Å; Y1406-E1410 PolarHBondContact O-N 3.44Å; Y1406-E1410 PolarHBondContact OH-OE1 3.46Å; L1407-E1410 PolarHBondContact O-N 3.01Å; E1410-E1415 HydrophobicContact CG-CB 4.05Å; E1410-E1415 PolarHBondContact O-N 2.91Å; E1410-K1416 HydrophobicContact CG-CB 4.38Å; E1410-K1416 PolarHBondContact O-N 2.99Å; E1410-Q1419 PolarHBondContact OE1-NE2 3.2Å; E1410-Y1429 PolarHBondContact OE2-OH 3.38Å
1411R88.9Confident86.7Confident82 Ų8229.3 Ų29.331%0.30915%0.152SC..Hα-helixtrans-76.6-52.2171.7-173171.476.9128.1-2.8112.9L1407 V1408 N1409 G1414 E1488 K1489 F1491L1407-R1411 WeakPolarHBondContact O-CB 3.48Å; L1407-R1411 PolarHBondContact O-N 3.42Å; V1408-R1411 WeakPolarHBondContact O-CB 3.25Å; V1408-R1411 PolarHBondContact O-N 3.18Å; N1409-R1411 PolarHBondContact O-N 2.96Å; R1411-G1414 PolarHBondContact O-N 3.37Å; R1411-G1414 VanDerWaalsContact O-N 3.16Å; R1411-E1488 WeakPolarHBondContact CD-OE2 3.4Å; R1411-E1488 IonicContact NE-OE2 3.16Å; R1411-E1488 PolarHBondContact NE-OE2 2.89Å; R1411-E1488 PolarHBondContact NH2-O 2.96Å; R1411-K1489 PolarHBondContact NH1-O 2.71Å; R1411-K1489 PolarHBondContact NH2-O 3.32Å; R1411-K1489 VanDerWaalsContact NH2-O 3.08Å; R1411-F1491 PolarHBondContact NH2-O 2.69Å
1412V83.8Confident86.4Confident86 Ų8630.2 Ų30.252%0.52116%0.158SC..Hα-helixtrans-68.7-36.4-173.11710000112.4V1408 N1409 G1414 S1492V1408-V1412 HydrophobicContact CG1-CG2 4.01Å; V1408-V1412 WeakPolarHBondContact O-CB 3.35Å; V1408-V1412 WeakPolarHBondContact O-CG2 3.21Å; V1408-V1412 PolarHBondContact O-N 2.76Å; N1409-V1412 PolarHBondContact O-N 2.95Å; V1412-G1414 PolarHBondContact O-N 2.77Å; V1412-S1492 WeakPolarHBondContact CG2-O 3.39Å
1413N83.2Confident86Confident52 Ų5231.7 Ų31.728%0.27818%0.176SC..THydrogen-bonded Turntrans-71.6-12.9175.2-63.3-25.2000113.2N1409 E1415 P1723N1409-N1413 PolarHBondContact ND2-ND2 3.23Å; N1409-N1413 WeakPolarHBondContact O-CB 3.35Å; N1409-N1413 VanDerWaalsContact O-CG 3.3Å; N1409-N1413 PolarHBondContact O-N 3.4Å; N1409-N1413 PolarHBondContact O-ND2 2.9Å; N1409-N1413 PolarHBondContact OD1-ND2 3.24Å; N1413-E1415 HydrophobicContact CB-CG 4.05Å; N1413-E1415 PolarHBondContact ND2-OE1 2.66Å; N1413-E1415 VanDerWaalsContact ND2-OE1 3.13Å; N1413-P1723 WeakPolarHBondContact O-CA 3.34Å; N1413-P1723 WeakPolarHBondContact O-CB 3.36Å
1414G83.3Confident86.1Confident20 Ų2031.1 Ų31.121%0.20617%0.169CC..SBendtrans82.85.6-175.600000114.9R1411 V1412 K1416 L1417 Q1418R1411-G1414 PolarHBondContact O-N 3.37Å; R1411-G1414 VanDerWaalsContact O-N 3.16Å; V1412-G1414 PolarHBondContact O-N 2.77Å; G1414-K1416 VanDerWaalsContact C-N 3.34Å; G1414-K1416 PolarHBondContact O-N 2.78Å; G1414-L1417 WeakPolarHBondContact O-CB 3.32Å; G1414-L1417 PolarHBondContact O-N 2.78Å; G1414-L1417 VanDerWaalsContact O-N 3.15Å; G1414-Q1418 PolarHBondContact O-N 2.82Å
1415E87.9Confident85.8Confident3 Ų333.6 Ų33.61%0.01419%0.187CC..Hα-helixtrans-61.6-40-179.7-65.1173.9-118.500112.3K1208 E1410 N1413 L1417 Q1418 Q1419K1208-E1415 IonicContact NZ-OE2 2.85Å; K1208-E1415 PolarHBondContact NZ-OE2 3.26Å; E1410-E1415 HydrophobicContact CG-CB 4.05Å; E1410-E1415 PolarHBondContact O-N 2.91Å; N1413-E1415 HydrophobicContact CB-CG 4.05Å; N1413-E1415 PolarHBondContact ND2-OE1 2.66Å; N1413-E1415 VanDerWaalsContact ND2-OE1 3.13Å; E1415-L1417 VanDerWaalsContact C-N 3.27Å; E1415-L1417 PolarHBondContact O-N 2.6Å; E1415-Q1418 PolarHBondContact O-N 3.06Å; E1415-Q1418 VanDerWaalsContact O-N 3.16Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.49Å; E1415-Q1419 PolarHBondContact O-N 2.86Å
1416K88.1Confident85.7Confident31 Ų3133 Ų3314%0.13519%0.185CC..Hα-helixtrans-59-35.4175-176.4175.7175.6-179.10112.6E1410 G1414 R1420 Y1429 E1488 E1603E1410-K1416 HydrophobicContact CG-CB 4.38Å; E1410-K1416 PolarHBondContact O-N 2.99Å; G1414-K1416 VanDerWaalsContact C-N 3.34Å; G1414-K1416 PolarHBondContact O-N 2.78Å; K1416-R1420 PolarHBondContact O-N 3.29Å; K1416-Y1429 HydrophobicContact CD-CE1 3.99Å; K1416-Y1429 HydrophobicContact CD-CE2 4.36Å; K1416-Y1429 HydrophobicContact CG-CE1 4.39Å; K1416-Y1429 HydrophobicContact CG-CE2 3.98Å; K1416-E1488 IonicContact NZ-OE1 3.06Å; K1416-E1603 WeakPolarHBondContact CE-OE1 3.19Å; K1416-E1603 IonicContact NZ-OE1 2.77Å; K1416-E1603 PolarHBondContact NZ-OE1 3Å
1417L87Confident85.6Confident41 Ų4135.7 Ų35.722%0.21521%0.205CC..Hα-helixtrans-68.5-46.4174.3176.766.7000110.7G1414 E1415 Q1419 R1420 L1421 Q1700 Y1717G1414-L1417 WeakPolarHBondContact O-CB 3.32Å; G1414-L1417 PolarHBondContact O-N 2.78Å; G1414-L1417 VanDerWaalsContact O-N 3.15Å; E1415-L1417 VanDerWaalsContact C-N 3.27Å; E1415-L1417 PolarHBondContact O-N 2.6Å; L1417-Q1419 VanDerWaalsContact C-N 3.29Å; L1417-Q1419 PolarHBondContact O-N 2.92Å; L1417-R1420 PolarHBondContact O-N 2.84Å; L1417-R1420 VanDerWaalsContact O-N 3.16Å; L1417-L1421 HydrophobicContact CD1-CD1 4.2Å; L1417-L1421 HydrophobicContact CD1-CG 4.24Å; L1417-L1421 HydrophobicContact CG-CD1 3.98Å; L1417-L1421 HydrophobicContact CG-CG 4.41Å; L1417-L1421 WeakPolarHBondContact O-CG 3.42Å; L1417-L1421 PolarHBondContact O-N 2.87Å; L1417-Q1700 HydrophobicContact CD1-CG 4.04Å; L1417-Q1700 HydrophobicContact CD2-CG 3.93Å; L1417-Y1717 HydrophobicContact CD2-CD1 4.14Å; L1417-Y1717 HydrophobicContact CD2-CE1 4.04Å
1418Q87.2Confident85.5Confident4 Ų436.4 Ų36.42%0.01921%0.209CC..Hα-helixtrans-62.8-35.9-178.8-16170.1-12.600112.4G1414 E1415 C1422 Y1717 Y1737G1414-Q1418 PolarHBondContact O-N 2.82Å; E1415-Q1418 PolarHBondContact O-N 3.06Å; E1415-Q1418 VanDerWaalsContact O-N 3.16Å; Q1418-C1422 PolarHBondContact O-N 3.37Å; Q1418-C1422 PolarHBondContact O-SG 3.37Å; Q1418-Y1717 PolarHBondContact NE2-O 3.02Å; Q1418-Y1717 PolarHBondContact OE1-O 2.84Å; Q1418-Y1737 HydrophobicContact CB-CE1 4.22Å; Q1418-Y1737 HydrophobicContact CG-CE1 3.73Å
1419Q88.4Confident85.6Confident1 Ų137 Ų371%0.00521%0.211CC..Hα-helixtrans-65-46.5172.8-67.5169.540.500111.8L1205 E1410 E1415 L1417 L1421 C1422 V1424L1205-Q1419 VanDerWaalsContact CD2-OE1 3.25Å; E1410-Q1419 PolarHBondContact OE1-NE2 3.2Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.49Å; E1415-Q1419 PolarHBondContact O-N 2.86Å; L1417-Q1419 VanDerWaalsContact C-N 3.29Å; L1417-Q1419 PolarHBondContact O-N 2.92Å; Q1419-L1421 VanDerWaalsContact C-N 3.35Å; Q1419-L1421 PolarHBondContact O-N 2.89Å; Q1419-C1422 PolarHBondContact O-N 3.25Å; Q1419-C1422 VanDerWaalsContact O-N 3.14Å; Q1419-V1424 HydrophobicContact CB-CG2 4.36Å; Q1419-V1424 WeakPolarHBondContact O-CB 3.24Å; Q1419-V1424 WeakPolarHBondContact O-CG2 3.48Å; Q1419-V1424 PolarHBondContact O-N 2.8Å
1420R85.4Confident85.7Confident121 Ų12135.6 Ų35.646%0.45720%0.202SC..Hα-helixtrans-60.5-41.4177.2-171.9175.5-177.6144.4-3.3112.2K1416 L1417 C1422 G1423 E1603K1416-R1420 PolarHBondContact O-N 3.29Å; L1417-R1420 PolarHBondContact O-N 2.84Å; L1417-R1420 VanDerWaalsContact O-N 3.16Å; R1420-C1422 VanDerWaalsContact C-N 3.3Å; R1420-C1422 PolarHBondContact O-N 3.12Å; R1420-G1423 PolarHBondContact O-N 3.22Å; R1420-G1423 VanDerWaalsContact O-N 3.14Å; R1420-E1603 IonicContact NH1-OE2 2.91Å; R1420-E1603 PolarHBondContact NH1-OE2 3.18Å
1421L83Confident85.8Confident24 Ų2439.6 Ų39.613%0.12622%0.223CC..Hα-helixtrans-67.5-26.6176.2-69.9174.7000113.3L1417 Q1419 G1423 T1698 Y1717L1417-L1421 HydrophobicContact CD1-CD1 4.2Å; L1417-L1421 HydrophobicContact CD1-CG 4.24Å; L1417-L1421 HydrophobicContact CG-CD1 3.98Å; L1417-L1421 HydrophobicContact CG-CG 4.41Å; L1417-L1421 WeakPolarHBondContact O-CG 3.42Å; L1417-L1421 PolarHBondContact O-N 2.87Å; Q1419-L1421 VanDerWaalsContact C-N 3.35Å; Q1419-L1421 PolarHBondContact O-N 2.89Å; L1421-G1423 PolarHBondContact O-N 2.94Å; L1421-T1698 HydrophobicContact CD1-CG2 4.44Å; L1421-Y1717 HydrophobicContact CD1-CD1 3.95Å; L1421-Y1717 HydrophobicContact CD1-CG 4.23Å
1422C81.2Confident86Confident19 Ų1935.8 Ų35.813%0.12821%0.209CC..THydrogen-bonded Turntrans-80.513.8171.3-63.70000113.8Q1418 Q1419 R1420 L1740Q1418-C1422 PolarHBondContact O-N 3.37Å; Q1418-C1422 PolarHBondContact O-SG 3.37Å; Q1419-C1422 PolarHBondContact O-N 3.25Å; Q1419-C1422 VanDerWaalsContact O-N 3.14Å; R1420-C1422 VanDerWaalsContact C-N 3.3Å; R1420-C1422 PolarHBondContact O-N 3.12Å; C1422-L1740 HydrophobicContact CB-CD2 3.67Å; C1422-L1740 HydrophobicContact CB-CG 3.99Å
1423G77.5Confident86.3Confident50 Ų5031.7 Ų31.752%0.51518%0.184SC..THydrogen-bonded Turntrans86.214.617600000115.4Q1201 R1420 L1421 S1425Q1201-G1423 PolarHBondContact NE2-O 3.28Å; R1420-G1423 PolarHBondContact O-N 3.22Å; R1420-G1423 VanDerWaalsContact O-N 3.14Å; L1421-G1423 PolarHBondContact O-N 2.94Å; G1423-S1425 PolarHBondContact O-N 3.21Å
1424V84.7Confident86.7Confident6 Ų630.7 Ų30.74%0.03618%0.179CC..  trans-74.5118.4169.6179.40000109.5L1205 Q1419 L1740L1205-V1424 HydrophobicContact CD1-CG1 3.81Å; L1205-V1424 HydrophobicContact CD1-CG2 4.4Å; Q1419-V1424 HydrophobicContact CB-CG2 4.36Å; Q1419-V1424 WeakPolarHBondContact O-CB 3.24Å; Q1419-V1424 WeakPolarHBondContact O-CG2 3.48Å; Q1419-V1424 PolarHBondContact O-N 2.8Å; V1424-L1740 HydrophobicContact CG2-CD1 3.71Å; V1424-L1740 HydrophobicContact CG2-CD2 3.95Å; V1424-L1740 HydrophobicContact CG2-CG 4.1Å
1425S82.6Confident87.2Confident53 Ų5332.2 Ų32.237%0.37118%0.184SC..  trans-67.2149.5175.383.60000111.2G1423 V1427 T1428 Y1429G1423-S1425 PolarHBondContact O-N 3.21Å; S1425-V1427 PolarHBondContact O-N 3.2Å; S1425-T1428 PolarHBondContact N-OG1 3.24Å; S1425-T1428 PolarHBondContact O-N 2.92Å; S1425-T1428 PolarHBondContact O-OG1 3.22Å; S1425-T1428 WeakPolarHBondContact OG-CB 3.38Å; S1425-T1428 PolarHBondContact OG-N 3.18Å; S1425-T1428 PolarHBondContact OG-OG1 3.02Å; S1425-Y1429 PolarHBondContact O-N 3.36Å
1426A83Confident87.3Confident22 Ų2233.6 Ų33.618%0.18219%0.19CC..Hα-helixtrans-58.6-35.3175.600000111.8Y1429 W1430A1426-Y1429 PolarHBondContact O-N 2.99Å; A1426-W1430 PolarHBondContact O-N 3.35Å
1427V86.1Confident87.4Confident87 Ų8732.9 Ų32.953%0.52719%0.187SC..Hα-helixtrans-65.7-47.2177.7-176.90000110.9S1425 Y1429 W1430 L1431S1425-V1427 PolarHBondContact O-N 3.2Å; V1427-Y1429 PolarHBondContact O-N 3.06Å; V1427-W1430 PolarHBondContact O-N 2.97Å; V1427-L1431 VanDerWaalsContact O-CB 3.24Å; V1427-L1431 WeakPolarHBondContact O-CB 3.47Å; V1427-L1431 PolarHBondContact O-N 3.07Å
1428T89.4Confident87.6Confident14 Ų1434.3 Ų34.39%0.08619%0.19CC..Hα-helixtrans-66-36.1177.644.10000112.8A1198 Q1201 S1425 V1432A1198-T1428 HydrophobicContact CB-CG2 3.72Å; Q1201-T1428 PolarHBondContact OE1-OG1 3.18Å; S1425-T1428 PolarHBondContact N-OG1 3.24Å; S1425-T1428 PolarHBondContact O-N 2.92Å; S1425-T1428 PolarHBondContact O-OG1 3.22Å; S1425-T1428 WeakPolarHBondContact OG-CB 3.38Å; S1425-T1428 PolarHBondContact OG-N 3.18Å; S1425-T1428 PolarHBondContact OG-OG1 3.02Å; T1428-V1432 VanDerWaalsContact O-CG2 3.28Å; T1428-V1432 WeakPolarHBondContact O-CG2 3.48Å; T1428-V1432 PolarHBondContact O-N 3.26Å
1429Y90.6Very high87.7Confident12 Ų1238.8 Ų38.85%0.04721%0.213CC..Hα-helixtrans-62-52.2173.1173.3-87.7000111.4E1410 K1416 S1425 A1426 V1427 L1431 V1432 A1433E1410-Y1429 PolarHBondContact OE2-OH 3.38Å; K1416-Y1429 HydrophobicContact CD-CE1 3.99Å; K1416-Y1429 HydrophobicContact CD-CE2 4.36Å; K1416-Y1429 HydrophobicContact CG-CE1 4.39Å; K1416-Y1429 HydrophobicContact CG-CE2 3.98Å; S1425-Y1429 PolarHBondContact O-N 3.36Å; A1426-Y1429 PolarHBondContact O-N 2.99Å; V1427-Y1429 PolarHBondContact O-N 3.06Å; Y1429-L1431 PolarHBondContact O-N 2.91Å; Y1429-V1432 PolarHBondContact O-N 3.11Å; Y1429-A1433 PolarHBondContact O-N 2.8Å
1430W90.8Very high87.7Confident16 Ų1639.9 Ų39.96%0.06122%0.22CC..Hα-helixtrans-72.3-28.8-176.8-73.8116.7000113.2L1407 A1426 V1427 A1433 L1434 H1485 E1488 N1599 E1603L1407-W1430 HydrophobicContact CD2-CZ3 4.4Å; A1426-W1430 PolarHBondContact O-N 3.35Å; V1427-W1430 PolarHBondContact O-N 2.97Å; W1430-A1433 HydrophobicContact CE3-CB 4.06Å; W1430-A1433 PolarHBondContact O-N 2.03Å; W1430-L1434 VanDerWaalsContact O-CB 3.27Å; W1430-L1434 WeakPolarHBondContact O-CB 3.32Å; W1430-L1434 PolarHBondContact O-N 2.89Å; W1430-H1485 HydrophobicContact CE3-CB 4.14Å; W1430-H1485 AromaticContact CE3-CG 3.86Å; W1430-H1485 AromaticContact CE3-ND1 3.49Å; W1430-H1485 HydrophobicContact CH2-CB 4.12Å; W1430-H1485 HydrophobicContact CZ3-CB 3.58Å; W1430-H1485 AromaticContact CZ3-CG 3.5Å; W1430-H1485 AromaticContact CZ3-ND1 3.66Å; W1430-E1488 HydrophobicContact CH2-CG 4.27Å; W1430-N1599 WeakPolarHBondContact CZ2-OD1 3.39Å; W1430-E1603 WeakPolarHBondContact CZ2-OE1 3.26Å; W1430-E1603 PolarHBondContact NE1-OE1 3.31Å; W1430-E1603 VanDerWaalsContact NE1-OE1 3.09Å
1431L90.9Very high87.7Confident87 Ų8734.4 Ų34.446%0.45520%0.2SC..Hα-helixtrans-64.4-43.2170.9-171.574.6000111.5F1202 V1427 Y1429 L1434 V1435F1202-L1431 HydrophobicContact CD2-CD2 4.11Å; F1202-L1431 HydrophobicContact CD2-CG 4.46Å; F1202-L1431 HydrophobicContact CE2-CD2 4.12Å; F1202-L1431 HydrophobicContact CE2-CG 4.12Å; V1427-L1431 VanDerWaalsContact O-CB 3.24Å; V1427-L1431 WeakPolarHBondContact O-CB 3.47Å; V1427-L1431 PolarHBondContact O-N 3.07Å; Y1429-L1431 PolarHBondContact O-N 2.91Å; L1431-L1434 PolarHBondContact O-N 3.05Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.23Å; L1431-V1435 PolarHBondContact O-N 3.4Å
1432V92.3Very high88Confident2 Ų234.7 Ų34.71%0.01220%0.203CC..Hα-helixtrans-64-43.3174.3173.80000110.7F1202 L1205 M1206 T1428 Y1429 W1436F1202-V1432 HydrophobicContact CB-CG2 4.12Å; F1202-V1432 HydrophobicContact CD2-CB 4.39Å; F1202-V1432 HydrophobicContact CD2-CG2 3.27Å; F1202-V1432 HydrophobicContact CE2-CB 4.4Å; F1202-V1432 HydrophobicContact CE2-CG2 3.7Å; F1202-V1432 HydrophobicContact CG-CG2 3.75Å; F1202-V1432 HydrophobicContact CZ-CG2 4.49Å; L1205-V1432 HydrophobicContact CB-CB 4.31Å; L1205-V1432 HydrophobicContact CB-CG1 3.85Å; L1205-V1432 HydrophobicContact CB-CG2 3.98Å; L1205-V1432 HydrophobicContact CD1-CG2 4.17Å; M1206-V1432 HydrophobicContact SD-CG1 4.18Å; T1428-V1432 VanDerWaalsContact O-CG2 3.28Å; T1428-V1432 WeakPolarHBondContact O-CG2 3.48Å; T1428-V1432 PolarHBondContact O-N 3.26Å; Y1429-V1432 PolarHBondContact O-N 3.11Å; V1432-W1436 WeakPolarHBondContact O-CB 3.5Å; V1432-W1436 PolarHBondContact O-N 2.59Å
1433A90.3Very high88.4Confident0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-60.1-48.5176.200000111.4L1407 Y1429 W1430 V1435 W1436 D1437L1407-A1433 HydrophobicContact CD2-CB 4.23Å; Y1429-A1433 PolarHBondContact O-N 2.8Å; W1430-A1433 HydrophobicContact CE3-CB 4.06Å; W1430-A1433 PolarHBondContact O-N 2.03Å; A1433-V1435 PolarHBondContact O-N 2.98Å; A1433-W1436 PolarHBondContact O-N 3.26Å; A1433-D1437 VanDerWaalsContact O-CB 3.27Å; A1433-D1437 WeakPolarHBondContact O-CB 3.48Å; A1433-D1437 PolarHBondContact O-N 3Å; A1433-D1437 VanDerWaalsContact O-OD2 3.12Å
1434L91.5Very high88.8Confident31 Ų3135 Ų3516%0.16219%0.192CC..Hα-helixtrans-58.9-50.9180-179.664.5000111.9W1430 L1431 Y1438 V1481 P1482 L1596W1430-L1434 VanDerWaalsContact O-CB 3.27Å; W1430-L1434 WeakPolarHBondContact O-CB 3.32Å; W1430-L1434 PolarHBondContact O-N 2.89Å; L1431-L1434 PolarHBondContact O-N 3.05Å; L1434-Y1438 WeakPolarHBondContact O-CB 3.36Å; L1434-Y1438 PolarHBondContact O-N 3.48Å; L1434-V1481 HydrophobicContact CD1-CB 4.34Å; L1434-V1481 HydrophobicContact CD1-CG1 3.79Å; L1434-P1482 HydrophobicContact CD1-CG 3.94Å; L1434-L1596 HydrophobicContact CD1-CD2 4.27Å; L1434-L1596 HydrophobicContact CD2-CD1 4.49Å; L1434-L1596 HydrophobicContact CD2-CD2 3.89Å
1435V92.5Very high88.8Confident53 Ų5335 Ų3532%0.32119%0.191SC..Hα-helixtrans-66.2-39.2-179.9174.90000111.5F1202 M1206 L1431 A1433 L1439F1202-V1435 HydrophobicContact CE2-CG2 4.42Å; F1202-V1435 HydrophobicContact CZ-CB 4.25Å; F1202-V1435 HydrophobicContact CZ-CG1 4.22Å; F1202-V1435 HydrophobicContact CZ-CG2 4.35Å; M1206-V1435 HydrophobicContact CE-CG1 4.1Å; L1431-V1435 WeakPolarHBondContact O-CG2 3.23Å; L1431-V1435 PolarHBondContact O-N 3.4Å; A1433-V1435 PolarHBondContact O-N 2.98Å; V1435-L1439 HydrophobicContact CG1-CD1 4.08Å; V1435-L1439 WeakPolarHBondContact O-CB 3.02Å; V1435-L1439 WeakPolarHBondContact O-CD1 3.45Å; V1435-L1439 VanDerWaalsContact O-CG 3.3Å; V1435-L1439 WeakPolarHBondContact O-CG 3.05Å; V1435-L1439 PolarHBondContact O-N 2.85Å
1436W91.1Very high89.1Confident32 Ų3236.8 Ų36.812%0.12120%0.196CC..Hα-helixtrans-66.6-51.6178.1179-87000112.3M1206 R1209 L1210 L1213 V1432 A1433 Y1438 L1439 V1440M1206-W1436 HydrophobicContact CE-CB 4.43Å; M1206-W1436 HydrophobicContact CE-CE3 3.74Å; M1206-W1436 HydrophobicContact CE-CZ3 4.44Å; M1206-W1436 HydrophobicContact CG-CE3 4.37Å; M1206-W1436 HydrophobicContact SD-CB 4.24Å; M1206-W1436 HydrophobicContact SD-CE3 3.79Å; R1209-W1436 HydrophobicContact CB-CD2 3.67Å; R1209-W1436 HydrophobicContact CB-CE3 3.81Å; R1209-W1436 HydrophobicContact CB-CG 4.29Å; R1209-W1436 HydrophobicContact CB-CH2 4.2Å; R1209-W1436 HydrophobicContact CB-CZ2 4Å; R1209-W1436 HydrophobicContact CB-CZ3 4.09Å; R1209-W1436 HydrophobicContact CG-CD2 4.46Å; L1210-W1436 HydrophobicContact CB-CH2 4.07Å; L1210-W1436 HydrophobicContact CB-CZ3 4.01Å; L1210-W1436 HydrophobicContact CD1-CH2 4.06Å; L1210-W1436 HydrophobicContact CD1-CZ3 4.31Å; L1213-W1436 HydrophobicContact CB-CH2 4.08Å; L1213-W1436 HydrophobicContact CB-CZ2 3.82Å; L1213-W1436 HydrophobicContact CD1-CZ2 4.13Å; L1213-W1436 HydrophobicContact CD2-CH2 3.84Å; L1213-W1436 HydrophobicContact CD2-CZ2 3.66Å; L1213-W1436 HydrophobicContact CG-CH2 4.5Å; L1213-W1436 HydrophobicContact CG-CZ2 4.07Å; V1432-W1436 WeakPolarHBondContact O-CB 3.5Å; V1432-W1436 PolarHBondContact O-N 2.59Å; A1433-W1436 PolarHBondContact O-N 3.26Å; W1436-Y1438 VanDerWaalsContact C-N 3.34Å; W1436-Y1438 PolarHBondContact O-N 3.44Å; W1436-L1439 PolarHBondContact O-N 3.41Å; W1436-V1440 PolarHBondContact O-N 3.36Å; W1436-V1440 VanDerWaalsContact O-N 3.15Å
1437D90.1Very high89.3Confident15 Ų1537.8 Ų37.88%0.0820%0.199CC..Hα-helixtrans-69.2-34.7-176.4-57.5-23000110.4R1209 A1433 V1440 M1441 V1481 H1485R1209-D1437 IonicContact NH1-OD1 3.72Å; R1209-D1437 PolarHBondContact NH1-OD1 3.28Å; A1433-D1437 VanDerWaalsContact O-CB 3.27Å; A1433-D1437 WeakPolarHBondContact O-CB 3.48Å; A1433-D1437 PolarHBondContact O-N 3Å; A1433-D1437 VanDerWaalsContact O-OD2 3.12Å; D1437-V1440 PolarHBondContact O-N 3.26Å; D1437-M1441 WeakPolarHBondContact O-CG 3.34Å; D1437-M1441 PolarHBondContact O-N 2.83Å; D1437-V1481 HydrophobicContact CB-CG1 3.66Å; D1437-V1481 HydrophobicContact CB-CG2 4.33Å; D1437-H1485 IonicContact OD2-CD2 2.72Å; D1437-H1485 IonicContact OD2-CE1 3.72Å; D1437-H1485 IonicContact OD2-NE2 3.17Å; D1437-H1485 PolarHBondContact OD2-NE2 3Å
1438Y91.5Very high89.2Confident72 Ų7233.8 Ų33.828%0.28218%0.176SC..Hα-helixtrans-66.1-40.3172.3-175.8-101.4000112.7L1434 W1436 V1440 M1441 V1442 F1478L1434-Y1438 WeakPolarHBondContact O-CB 3.36Å; L1434-Y1438 PolarHBondContact O-N 3.48Å; W1436-Y1438 VanDerWaalsContact C-N 3.34Å; W1436-Y1438 PolarHBondContact O-N 3.44Å; Y1438-V1440 VanDerWaalsContact C-N 3.3Å; Y1438-V1440 PolarHBondContact O-N 3.18Å; Y1438-M1441 WeakPolarHBondContact O-CB 3.41Å; Y1438-M1441 PolarHBondContact O-N 2.66Å; Y1438-V1442 HydrophobicContact CD1-CG2 4.02Å; Y1438-V1442 HydrophobicContact CE1-CG2 3.65Å; Y1438-V1442 HydrophobicContact CE2-CG2 4.22Å; Y1438-V1442 HydrophobicContact CG-CG2 4.46Å; Y1438-V1442 WeakPolarHBondContact O-CG2 3.41Å; Y1438-V1442 PolarHBondContact O-N 2.69Å; Y1438-F1478 HydrophobicContact CE2-CB 4.26Å
1439L89.8Confident89Confident97 Ų9734.6 Ų34.651%0.50818%0.179SC..Hα-helixtrans-62.7-35.8173.9-81166.7000112.5M1206 V1435 W1436 L1443M1206-L1439 HydrophobicContact CE-CD1 3.74Å; V1435-L1439 HydrophobicContact CG1-CD1 4.08Å; V1435-L1439 WeakPolarHBondContact O-CB 3.02Å; V1435-L1439 WeakPolarHBondContact O-CD1 3.45Å; V1435-L1439 VanDerWaalsContact O-CG 3.3Å; V1435-L1439 WeakPolarHBondContact O-CG 3.05Å; V1435-L1439 PolarHBondContact O-N 2.85Å; W1436-L1439 PolarHBondContact O-N 3.41Å; L1439-L1443 WeakPolarHBondContact O-CB 3.35Å; L1439-L1443 PolarHBondContact O-N 3.5Å
1440V86.8Confident88.9Confident24 Ų2438.1 Ų38.115%0.14520%0.202CC..Hα-helixtrans-69.1-40.5174.1175.40000111.2L1220 W1436 D1437 Y1438 L1443 G1444L1220-V1440 HydrophobicContact CD1-CG1 4.12Å; W1436-V1440 PolarHBondContact O-N 3.36Å; W1436-V1440 VanDerWaalsContact O-N 3.15Å; D1437-V1440 PolarHBondContact O-N 3.26Å; Y1438-V1440 VanDerWaalsContact C-N 3.3Å; Y1438-V1440 PolarHBondContact O-N 3.18Å; V1440-L1443 PolarHBondContact O-N 3.5Å; V1440-G1444 PolarHBondContact O-N 3.38Å; V1440-G1444 VanDerWaalsContact O-N 3.11Å
1441M86.4Confident88.7Confident7 Ų737.7 Ų37.73%0.03420%0.201CC..Hα-helixtrans-59.5-50.9172.7-76.2-59.7-49.500112V1399 V1400 D1437 Y1438 L1443 G1444 L1445 F1476 V1481V1399-M1441 HydrophobicContact CB-CE 4.27Å; V1399-M1441 HydrophobicContact CB-SD 4.05Å; V1399-M1441 HydrophobicContact CG1-CE 4.18Å; V1399-M1441 HydrophobicContact CG1-SD 3.61Å; V1400-M1441 HydrophobicContact CB-SD 4.38Å; V1400-M1441 HydrophobicContact CG2-CE 3.57Å; V1400-M1441 HydrophobicContact CG2-SD 3.74Å; D1437-M1441 WeakPolarHBondContact O-CG 3.34Å; D1437-M1441 PolarHBondContact O-N 2.83Å; Y1438-M1441 WeakPolarHBondContact O-CB 3.41Å; Y1438-M1441 PolarHBondContact O-N 2.66Å; M1441-L1443 VanDerWaalsContact C-N 3.31Å; M1441-L1443 PolarHBondContact O-N 3.05Å; M1441-G1444 CarbonylContact O-C 3.47Å; M1441-G1444 WeakPolarHBondContact O-CA 3.19Å; M1441-G1444 PolarHBondContact O-N 2.94Å; M1441-L1445 WeakPolarHBondContact O-CG 3.1Å; M1441-L1445 PolarHBondContact O-N 3.32Å; M1441-F1476 HydrophobicContact CE-CE1 4.07Å; M1441-V1481 HydrophobicContact CG-CG2 3.68Å
1442V89.1Confident88.3Confident30 Ų3033.8 Ų33.818%0.18218%0.18CC..Hα-helixtrans-62-37.1179.91720000111.7Y1438 G1444 L1445 I1446 L1474Y1438-V1442 HydrophobicContact CD1-CG2 4.02Å; Y1438-V1442 HydrophobicContact CE1-CG2 3.65Å; Y1438-V1442 HydrophobicContact CE2-CG2 4.22Å; Y1438-V1442 HydrophobicContact CG-CG2 4.46Å; Y1438-V1442 WeakPolarHBondContact O-CG2 3.41Å; Y1438-V1442 PolarHBondContact O-N 2.69Å; V1442-G1444 VanDerWaalsContact C-N 3.29Å; V1442-G1444 PolarHBondContact O-N 2.92Å; V1442-L1445 WeakPolarHBondContact O-CB 3.49Å; V1442-L1445 PolarHBondContact O-N 2.76Å; V1442-I1446 HydrophobicContact CG1-CD1 4.07Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.34Å; V1442-I1446 PolarHBondContact O-N 3.25Å; V1442-L1474 HydrophobicContact CG2-CD2 3.92Å
1443L88.7Confident88.1Confident73 Ų7338.2 Ų38.238%0.38220%0.203SC..Hα-helixtrans-63.2-35.7172.4-177.158.7000112L1224 L1439 V1440 M1441 V1447L1224-L1443 HydrophobicContact CD1-CD2 3.69Å; L1224-L1443 HydrophobicContact CD1-CG 3.91Å; L1224-L1443 HydrophobicContact CD2-CB 4.41Å; L1224-L1443 HydrophobicContact CD2-CD2 4.48Å; L1224-L1443 HydrophobicContact CD2-CG 4.03Å; L1439-L1443 WeakPolarHBondContact O-CB 3.35Å; L1439-L1443 PolarHBondContact O-N 3.5Å; V1440-L1443 PolarHBondContact O-N 3.5Å; M1441-L1443 VanDerWaalsContact C-N 3.31Å; M1441-L1443 PolarHBondContact O-N 3.05Å; L1443-V1447 WeakPolarHBondContact O-CG2 3.5Å; L1443-V1447 PolarHBondContact O-N 2.96Å
1444G85.8Confident88Confident3 Ų344 Ų443%0.03123%0.232CC..Hα-helixtrans-61.8-48.5169.300000112.5V1440 M1441 V1442 I1446 V1447 C1448V1440-G1444 PolarHBondContact O-N 3.38Å; V1440-G1444 VanDerWaalsContact O-N 3.11Å; M1441-G1444 CarbonylContact O-C 3.47Å; M1441-G1444 WeakPolarHBondContact O-CA 3.19Å; M1441-G1444 PolarHBondContact O-N 2.94Å; V1442-G1444 VanDerWaalsContact C-N 3.29Å; V1442-G1444 PolarHBondContact O-N 2.92Å; G1444-I1446 VanDerWaalsContact C-N 3.3Å; G1444-I1446 PolarHBondContact O-N 3.16Å; G1444-V1447 PolarHBondContact O-N 3.46Å; G1444-V1447 VanDerWaalsContact O-N 3.13Å; G1444-C1448 PolarHBondContact O-N 3.29Å; G1444-C1448 VanDerWaalsContact O-N 3.13Å; G1444-C1448 PolarHBondContact O-SG 3.4Å; G1444-C1448 VanDerWaalsContact O-SG 3.41Å
1445L85Confident87.6Confident5 Ų545.2 Ų45.23%0.02624%0.236CC..Hα-helixtrans-56.4-43177.4-56-173.3000112.4F1396 M1441 V1442 V1447 C1448 L1449 S1473 L1474F1396-L1445 HydrophobicContact CD1-CD2 3.78Å; F1396-L1445 HydrophobicContact CE1-CD2 3.43Å; F1396-L1445 VanDerWaalsContact CE1-CD2 3.43Å; F1396-L1445 HydrophobicContact CZ-CD2 4.25Å; M1441-L1445 WeakPolarHBondContact O-CG 3.1Å; M1441-L1445 PolarHBondContact O-N 3.32Å; V1442-L1445 WeakPolarHBondContact O-CB 3.49Å; V1442-L1445 PolarHBondContact O-N 2.76Å; L1445-V1447 VanDerWaalsContact C-N 3.3Å; L1445-V1447 PolarHBondContact O-N 3.48Å; L1445-C1448 PolarHBondContact O-N 3.03Å; L1445-L1449 WeakPolarHBondContact O-CB 3.47Å; L1445-L1449 VanDerWaalsContact O-CG 3.27Å; L1445-L1449 WeakPolarHBondContact O-CG 3.33Å; L1445-L1449 PolarHBondContact O-N 3.32Å; L1445-S1473 WeakPolarHBondContact CD1-O 3.46Å; L1445-L1474 HydrophobicContact CD1-CD2 3.96Å; L1445-L1474 HydrophobicContact CD1-CG 4.29Å
1446I88.7Confident87Confident90 Ų9044.7 Ų44.746%0.46224%0.241SC..Hα-helixtrans-61.9-39.1179.7-69.8164.8000110.9V1442 G1444 V1450V1442-I1446 HydrophobicContact CG1-CD1 4.07Å; V1442-I1446 WeakPolarHBondContact O-CG1 3.34Å; V1442-I1446 PolarHBondContact O-N 3.25Å; G1444-I1446 VanDerWaalsContact C-N 3.3Å; G1444-I1446 PolarHBondContact O-N 3.16Å; I1446-V1450 WeakPolarHBondContact O-CG2 3.34Å; I1446-V1450 PolarHBondContact O-N 3.33Å; I1446-V1450 VanDerWaalsContact O-N 3.09Å
1447V87.7Confident86.2Confident43 Ų4344.4 Ų44.426%0.26124%0.242SC..Hα-helixtrans-66.1-43.6176.5177.80000110.8A1228 L1443 G1444 L1445 V1450 V1451A1228-V1447 HydrophobicContact CB-CG1 3.5Å; L1443-V1447 WeakPolarHBondContact O-CG2 3.5Å; L1443-V1447 PolarHBondContact O-N 2.96Å; G1444-V1447 PolarHBondContact O-N 3.46Å; G1444-V1447 VanDerWaalsContact O-N 3.13Å; L1445-V1447 VanDerWaalsContact C-N 3.3Å; L1445-V1447 PolarHBondContact O-N 3.48Å; V1447-V1450 PolarHBondContact O-N 2.88Å; V1447-V1451 PolarHBondContact O-N 3.14Å; V1447-V1451 VanDerWaalsContact O-N 3.13Å
1448C83.4Confident85.5Confident4 Ų447 Ų473%0.02726%0.259CS..Hα-helixtrans-60.7-47.2176-61.60000112.3E1231 F1396 G1444 L1445 V1450 V1451 I1452E1231-C1448 WeakPolarHBondContact OE1-CA 3.36Å; E1231-C1448 WeakPolarHBondContact OE1-CB 3Å; E1231-C1448 WeakPolarHBondContact OE2-CA 3.39Å; E1231-C1448 VanDerWaalsContact OE2-CB 3.24Å; E1231-C1448 WeakPolarHBondContact OE2-CB 3Å; E1231-C1448 PolarHBondContact OE2-SG 3.29Å; F1396-C1448 HydrophobicContact CE1-CB 3.92Å; F1396-C1448 VanDerWaalsContact CE1-SG 3.51Å; F1396-C1448 HydrophobicContact CZ-CB 3.85Å; G1444-C1448 PolarHBondContact O-N 3.29Å; G1444-C1448 VanDerWaalsContact O-N 3.13Å; G1444-C1448 PolarHBondContact O-SG 3.4Å; G1444-C1448 VanDerWaalsContact O-SG 3.41Å; L1445-C1448 PolarHBondContact O-N 3.03Å; C1448-V1450 PolarHBondContact O-N 2.93Å; C1448-V1451 WeakPolarHBondContact O-CA 3.48Å; C1448-V1451 PolarHBondContact O-N 3.25Å; C1448-I1452 WeakPolarHBondContact O-CG1 3.26Å; C1448-I1452 PolarHBondContact O-N 3.02Å
1449L85.6Confident84.7Confident30 Ų3044.4 Ų44.416%0.15725%0.251CS..Hα-helixtrans-58.8-34.1176.4-69.8163.5000112.7L1445 L1453 L1466 I1469 I1470L1445-L1449 WeakPolarHBondContact O-CB 3.47Å; L1445-L1449 VanDerWaalsContact O-CG 3.27Å; L1445-L1449 WeakPolarHBondContact O-CG 3.33Å; L1445-L1449 PolarHBondContact O-N 3.32Å; L1449-L1453 WeakPolarHBondContact O-CB 3.35Å; L1449-L1453 VanDerWaalsContact O-CG 3.26Å; L1449-L1453 WeakPolarHBondContact O-CG 3.29Å; L1449-L1453 PolarHBondContact O-N 3.38Å; L1449-L1466 HydrophobicContact CD2-CD1 3.88Å; L1449-I1469 HydrophobicContact CD2-CG2 4.22Å; L1449-I1470 HydrophobicContact CD1-CG1 3.81Å; L1449-I1470 HydrophobicContact CD2-CD1 4.41Å; L1449-I1470 HydrophobicContact CD2-CG1 3.66Å; L1449-I1470 HydrophobicContact CG-CG1 4.42Å
1450V88.3Confident84.2Confident86 Ų8640.1 Ų40.152%0.52123%0.228SC..Hα-helixtrans-69.6-34.2173.2168.40000112.1I1446 V1447 C1448 M1454I1446-V1450 WeakPolarHBondContact O-CG2 3.34Å; I1446-V1450 PolarHBondContact O-N 3.33Å; I1446-V1450 VanDerWaalsContact O-N 3.09Å; V1447-V1450 PolarHBondContact O-N 2.88Å; C1448-V1450 PolarHBondContact O-N 2.93Å; V1450-M1454 WeakPolarHBondContact O-CB 3.49Å; V1450-M1454 PolarHBondContact O-N 3.24Å
1451V86.8Confident84.1Confident8 Ų841.3 Ų41.35%0.04824%0.235CC..Hα-helixtrans-69.8-45.8173.7-179.80000110.8A1228 E1231 L1232 M1235 V1447 C1448 L1453 M1454 F1455A1228-V1451 HydrophobicContact CB-CG2 4.4Å; E1231-V1451 HydrophobicContact CB-CG1 4.32Å; E1231-V1451 HydrophobicContact CG-CB 4.19Å; E1231-V1451 HydrophobicContact CG-CG1 3.83Å; L1232-V1451 HydrophobicContact CB-CG1 4.27Å; M1235-V1451 HydrophobicContact CG-CG1 4.2Å; V1447-V1451 PolarHBondContact O-N 3.14Å; V1447-V1451 VanDerWaalsContact O-N 3.13Å; C1448-V1451 WeakPolarHBondContact O-CA 3.48Å; C1448-V1451 PolarHBondContact O-N 3.25Å; V1451-L1453 VanDerWaalsContact C-N 3.3Å; V1451-L1453 PolarHBondContact O-N 3.2Å; V1451-M1454 WeakPolarHBondContact O-CB 3.44Å; V1451-M1454 PolarHBondContact O-N 2.92Å; V1451-F1455 HydrophobicContact CG1-CD2 4.1Å; V1451-F1455 HydrophobicContact CG1-CE2 4.09Å; V1451-F1455 WeakPolarHBondContact O-CD2 3.4Å; V1451-F1455 PolarHBondContact O-N 3.08Å
1452I82.6Confident83.8Confident5 Ų543.7 Ų43.73%0.02625%0.248CC..Hα-helixtrans-55.9-45.6175-65.9166.4000110.9M1235 C1448 M1454 G1456 F1460 V1461M1235-I1452 HydrophobicContact CE-CG1 3.75Å; C1448-I1452 WeakPolarHBondContact O-CG1 3.26Å; C1448-I1452 PolarHBondContact O-N 3.02Å; I1452-M1454 VanDerWaalsContact C-N 3.34Å; I1452-M1454 PolarHBondContact O-N 3.3Å; I1452-G1456 PolarHBondContact O-N 2.65Å; I1452-G1456 VanDerWaalsContact O-N 3.08Å; I1452-F1460 HydrophobicContact CG2-CB 3.68Å; I1452-F1460 HydrophobicContact CG2-CD2 4.36Å; I1452-F1460 HydrophobicContact CG2-CG 4.37Å; I1452-V1461 HydrophobicContact CG2-CG2 4.01Å
1453L87.5Confident83.6Confident94 Ų9446.7 Ų46.749%0.49226%0.256SS..Hα-helixtrans-70.2-24.7177.3-74170.8000114L1449 V1451 V1461 L1466L1449-L1453 WeakPolarHBondContact O-CB 3.35Å; L1449-L1453 VanDerWaalsContact O-CG 3.26Å; L1449-L1453 WeakPolarHBondContact O-CG 3.29Å; L1449-L1453 PolarHBondContact O-N 3.38Å; V1451-L1453 VanDerWaalsContact C-N 3.3Å; V1451-L1453 PolarHBondContact O-N 3.2Å; L1453-V1461 HydrophobicContact CD2-CG1 4.39Å; L1453-V1461 HydrophobicContact CD2-CG2 4.49Å; L1453-L1466 HydrophobicContact CD2-CD2 3.9Å
1454M88.2Confident83.5Confident123 Ų12347.9 Ų47.961%0.60626%0.26SS*.Hα-helixtrans-70.9-41.8176.7-174.9-166.2-54.500111.9V1450 V1451 I1452V1450-M1454 WeakPolarHBondContact O-CB 3.49Å; V1450-M1454 PolarHBondContact O-N 3.24Å; V1451-M1454 WeakPolarHBondContact O-CB 3.44Å; V1451-M1454 PolarHBondContact O-N 2.92Å; I1452-M1454 VanDerWaalsContact C-N 3.34Å; I1452-M1454 PolarHBondContact O-N 3.3Å
1455F84.2Confident83.6Confident56 Ų5647.8 Ų47.825%0.24626%0.258CS..Hα-helixtrans-84.2-20178.7-75.8-92.9000113.3L1232 M1235 W1236 V1451 M1457L1232-F1455 HydrophobicContact CB-CE2 4.47Å; L1232-F1455 HydrophobicContact CG-CE2 4.02Å; L1232-F1455 HydrophobicContact CG-CZ 4.12Å; M1235-F1455 HydrophobicContact CB-CB 4.19Å; M1235-F1455 HydrophobicContact CB-CD1 3.76Å; M1235-F1455 HydrophobicContact CB-CD2 3.4Å; M1235-F1455 HydrophobicContact CB-CE1 3.9Å; M1235-F1455 HydrophobicContact CB-CE2 3.55Å; M1235-F1455 HydrophobicContact CB-CG 3.5Å; M1235-F1455 HydrophobicContact CB-CZ 3.8Å; M1235-F1455 HydrophobicContact CG-CD2 3.97Å; M1235-F1455 HydrophobicContact CG-CE2 4.35Å; M1235-F1455 HydrophobicContact CG-CG 4.3Å; W1236-F1455 HydrophobicContact CB-CE1 4.01Å; W1236-F1455 HydrophobicContact CB-CZ 4.05Å; V1451-F1455 HydrophobicContact CG1-CD2 4.1Å; V1451-F1455 HydrophobicContact CG1-CE2 4.09Å; V1451-F1455 WeakPolarHBondContact O-CD2 3.4Å; V1451-F1455 PolarHBondContact O-N 3.08Å; F1455-M1457 HydrophobicContact CB-CG 4.1Å; F1455-M1457 PolarHBondContact O-N 2.92Å; F1455-M1457 VanDerWaalsContact O-N 3.12Å
1456G80.8Confident83.7Confident41 Ų4149.3 Ų49.342%0.42327%0.266SS..  trans66.215.1171.900000115.3I1452I1452-G1456 PolarHBondContact O-N 2.65Å; I1452-G1456 VanDerWaalsContact O-N 3.08Å
1457M74.2Confident83.7Confident27 Ų2748.1 Ų48.113%0.13326%0.263CS..  trans-58129.9-171.6-55.9-162.5-37.200111.6M1235 M1388 F1455 V1459 F1460 V1461M1235-M1457 HydrophobicContact SD-CE 3.5Å; M1235-M1457 WeakPolarHBondContact SD-CE 3.13Å; M1235-M1457 HydrophobicContact SD-CG 4.42Å; M1235-M1457 HydrophobicContact SD-SD 3.83Å; M1388-M1457 HydrophobicContact CE-CE 3.67Å; M1388-M1457 HydrophobicContact CE-SD 3.97Å; F1455-M1457 HydrophobicContact CB-CG 4.1Å; F1455-M1457 PolarHBondContact O-N 2.92Å; F1455-M1457 VanDerWaalsContact O-N 3.12Å; M1457-V1459 VanDerWaalsContact C-N 3.29Å; M1457-V1459 PolarHBondContact O-N 3.06Å; M1457-F1460 HydrophobicContact CE-CD2 3.7Å; M1457-F1460 HydrophobicContact CE-CE2 3.51Å; M1457-F1460 PolarHBondContact O-N 2.88Å; M1457-F1460 VanDerWaalsContact O-N 3.14Å; M1457-V1461 PolarHBondContact O-N 2.99Å; M1457-V1461 VanDerWaalsContact O-N 3.14Å
1458P74.1Confident83.8Confident69 Ų6946.1 Ų46.145%0.44825%0.251SS..Hα-helixtrans-63.4-34.5-167.923.8-34.1000112.8F1460 V1461 D1462 Y1558P1458-F1460 PolarHBondContact O-N 2.88Å; P1458-V1461 PolarHBondContact O-N 2.94Å; P1458-D1462 HydrophobicContact CB-CB 4.44Å; P1458-D1462 VanDerWaalsContact O-CB 3.24Å; P1458-D1462 WeakPolarHBondContact O-CB 3.29Å; P1458-D1462 PolarHBondContact O-N 2.84Å; P1458-Y1558 HydrophobicContact CB-CE1 4.48Å
1459V75.3Confident84Confident18 Ų1846.3 Ų46.311%0.10925%0.252CS..Hα-helixtrans-56.3-22.7179-170.80000113.8M1457 Q1465 C1555 Y1558M1457-V1459 VanDerWaalsContact C-N 3.29Å; M1457-V1459 PolarHBondContact O-N 3.06Å; V1459-Q1465 PolarHBondContact O-OE1 2.58Å; V1459-C1555 HydrophobicContact CG1-CB 3.96Å; V1459-Y1558 HydrophobicContact CB-CD1 4.22Å; V1459-Y1558 HydrophobicContact CG1-CD1 4.33Å; V1459-Y1558 HydrophobicContact CG2-CD1 3.9Å; V1459-Y1558 HydrophobicContact CG2-CE1 4.04Å
1460F79.5Confident84.3Confident7 Ų747.9 Ų47.93%0.03126%0.26CS..Hα-helixtrans-114-27.8178.1-61.4-46.7000114.1M1235 M1388 L1392 I1452 M1457 P1458 L1466 I1469M1235-F1460 HydrophobicContact CE-CD2 4.24Å; M1235-F1460 HydrophobicContact CE-CE2 3.97Å; M1235-F1460 HydrophobicContact SD-CE2 4.49Å; M1388-F1460 HydrophobicContact CB-CE2 4.43Å; M1388-F1460 HydrophobicContact CB-CZ 4.17Å; L1392-F1460 HydrophobicContact CD1-CE1 4.46Å; L1392-F1460 HydrophobicContact CD1-CE2 4.31Å; L1392-F1460 HydrophobicContact CD1-CZ 3.91Å; I1452-F1460 HydrophobicContact CG2-CB 3.68Å; I1452-F1460 HydrophobicContact CG2-CD2 4.36Å; I1452-F1460 HydrophobicContact CG2-CG 4.37Å; M1457-F1460 HydrophobicContact CE-CD2 3.7Å; M1457-F1460 HydrophobicContact CE-CE2 3.51Å; M1457-F1460 PolarHBondContact O-N 2.88Å; M1457-F1460 VanDerWaalsContact O-N 3.14Å; P1458-F1460 PolarHBondContact O-N 2.88Å; F1460-L1466 PolarHBondContact O-N 3.32Å; F1460-L1466 VanDerWaalsContact O-N 3.16Å; F1460-I1469 HydrophobicContact CB-CD1 3.77Å; F1460-I1469 HydrophobicContact CD1-CD1 3.74Å; F1460-I1469 HydrophobicContact CG-CD1 4.1Å
1461V84.1Confident84.4Confident48 Ų4844.6 Ų44.629%0.29124%0.244SC..Hα-helixtrans-101.6-27.1-170.9-177.20000112.9I1452 L1453 M1457 P1458I1452-V1461 HydrophobicContact CG2-CG2 4.01Å; L1453-V1461 HydrophobicContact CD2-CG1 4.39Å; L1453-V1461 HydrophobicContact CD2-CG2 4.49Å; M1457-V1461 PolarHBondContact O-N 2.99Å; M1457-V1461 VanDerWaalsContact O-N 3.14Å; P1458-V1461 PolarHBondContact O-N 2.94Å
1462D81Confident84.6Confident58 Ų5844.2 Ų44.231%0.3124%0.241SC..SBendtrans-68.1155.8-174-169.132.7000113.5P1458 Q1464 Q1465 Y1558P1458-D1462 HydrophobicContact CB-CB 4.44Å; P1458-D1462 VanDerWaalsContact O-CB 3.24Å; P1458-D1462 WeakPolarHBondContact O-CB 3.29Å; P1458-D1462 PolarHBondContact O-N 2.84Å; D1462-Q1464 PolarHBondContact O-N 2.86Å; D1462-Q1465 PolarHBondContact O-N 2.84Å; D1462-Q1465 VanDerWaalsContact O-N 3.13Å; D1462-Y1558 HydrophobicContact CB-CE2 3.91Å
1463R84.3Confident84.9Confident93 Ų9344.1 Ų44.135%0.35124%0.241SC..THydrogen-bonded Turntrans53.2-104.6179.3-66.9162.8176.7-117.9-8111.6D1570 Y1572R1463-D1570 IonicContact CZ-OD1 3.35Å; R1463-D1570 IonicContact CZ-OD2 2.9Å; R1463-D1570 VanDerWaalsContact CZ-OD2 3.22Å; R1463-D1570 VanDerWaalsContact NH1-CG 3.26Å; R1463-D1570 IonicContact NH1-OD1 2.76Å; R1463-D1570 PolarHBondContact NH1-OD1 3.45Å; R1463-D1570 IonicContact NH1-OD2 3.33Å; R1463-D1570 PolarHBondContact NH1-OD2 2.89Å; R1463-D1570 IonicContact NH2-OD1 2.97Å; R1463-D1570 IonicContact NH2-OD2 2.78Å; R1463-D1570 PolarHBondContact NH2-OD2 2.95Å; R1463-Y1572 HydrophobicContact CB-CE1 4.01Å; R1463-Y1572 HydrophobicContact CB-CE2 4.08Å; R1463-Y1572 WeakPolarHBondContact CB-OH 3.48Å; R1463-Y1572 HydrophobicContact CG-CE2 4.47Å
1464Q87.3Confident85.1Confident97 Ų9742.7 Ų42.745%0.45323%0.233SC..THydrogen-bonded Turntrans-132.520.6178.8-58.6-162.437.500113D1462 L1466 V1467 Y1572 P1575D1462-Q1464 PolarHBondContact O-N 2.86Å; Q1464-L1466 PolarHBondContact O-N 2.9Å; Q1464-V1467 HydrophobicContact CB-CG2 4.42Å; Q1464-V1467 WeakPolarHBondContact O-CB 3.25Å; Q1464-V1467 PolarHBondContact O-N 2.82Å; Q1464-Y1572 PolarHBondContact N-OH 3.21Å; Q1464-P1575 WeakPolarHBondContact O-CG 3.24Å
1465Q86.5Confident85.2Confident1 Ų137.8 Ų37.81%0.00521%0.212CC..Hα-helixtrans-68.7-36.6-172.6-62.2-166.5-89.900113.1V1459 D1462 V1467 G1468 I1469 L1554 Y1572V1459-Q1465 PolarHBondContact O-OE1 2.58Å; D1462-Q1465 PolarHBondContact O-N 2.84Å; D1462-Q1465 VanDerWaalsContact O-N 3.13Å; Q1465-V1467 PolarHBondContact O-N 3.37Å; Q1465-V1467 VanDerWaalsContact O-N 3.14Å; Q1465-G1468 WeakPolarHBondContact O-CA 3.27Å; Q1465-G1468 PolarHBondContact O-N 3.42Å; Q1465-I1469 PolarHBondContact O-N 2.96Å; Q1465-L1554 PolarHBondContact NE2-O 3.46Å; Q1465-Y1572 HydrophobicContact CG-CE2 3.99Å; Q1465-Y1572 WeakPolarHBondContact CG-OH 3.2Å
1466L87.5Confident85.6Confident37 Ų3735.1 Ų35.119%0.19420%0.201CC..Hα-helixtrans-50.4-37.6172.2-174.966.4000112.7L1449 L1453 F1460 Q1464 I1469 I1470L1449-L1466 HydrophobicContact CD2-CD1 3.88Å; L1453-L1466 HydrophobicContact CD2-CD2 3.9Å; F1460-L1466 PolarHBondContact O-N 3.32Å; F1460-L1466 VanDerWaalsContact O-N 3.16Å; Q1464-L1466 PolarHBondContact O-N 2.9Å; L1466-I1469 PolarHBondContact O-N 3Å; L1466-I1470 HydrophobicContact CD1-CD1 4.46Å; L1466-I1470 HydrophobicContact CG-CD1 3.99Å; L1466-I1470 WeakPolarHBondContact O-CB 3.39Å; L1466-I1470 WeakPolarHBondContact O-CD1 3.34Å; L1466-I1470 VanDerWaalsContact O-CG1 3.24Å; L1466-I1470 WeakPolarHBondContact O-CG1 3.44Å; L1466-I1470 PolarHBondContact O-N 2.75Å
1467V89.8Confident86.1Confident66 Ų6633.1 Ų33.140%0.418%0.18SC..Hα-helixtrans-69-35.9178.6-161.50000111.4Q1464 Q1465 G1471 L1576Q1464-V1467 HydrophobicContact CB-CG2 4.42Å; Q1464-V1467 WeakPolarHBondContact O-CB 3.25Å; Q1464-V1467 PolarHBondContact O-N 2.82Å; Q1465-V1467 PolarHBondContact O-N 3.37Å; Q1465-V1467 VanDerWaalsContact O-N 3.14Å; V1467-G1471 PolarHBondContact O-N 2.65Å; V1467-L1576 HydrophobicContact CB-CD1 4.5Å; V1467-L1576 HydrophobicContact CG1-CD1 3.74Å
1468G88.9Confident87Confident0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-64.1-44.6170.900000112.5Q1465 G1471 L1472Q1465-G1468 WeakPolarHBondContact O-CA 3.27Å; Q1465-G1468 PolarHBondContact O-N 3.42Å; G1468-G1471 PolarHBondContact O-N 2.88Å; G1468-L1472 WeakPolarHBondContact O-CB 3.19Å; G1468-L1472 PolarHBondContact O-N 2.83Å
1469I88.2Confident87.9Confident8 Ų831.5 Ų31.54%0.04117%0.166CC..Hα-helixtrans-61.3-46.7177.1-62.6170.4000110.9L1449 F1460 Q1465 L1466 L1472 S1473 F1551 L1554L1449-I1469 HydrophobicContact CD2-CG2 4.22Å; F1460-I1469 HydrophobicContact CB-CD1 3.77Å; F1460-I1469 HydrophobicContact CD1-CD1 3.74Å; F1460-I1469 HydrophobicContact CG-CD1 4.1Å; Q1465-I1469 PolarHBondContact O-N 2.96Å; L1466-I1469 PolarHBondContact O-N 3Å; I1469-L1472 PolarHBondContact O-N 3.47Å; I1469-S1473 VanDerWaalsContact O-CB 3.29Å; I1469-S1473 WeakPolarHBondContact O-CB 3.33Å; I1469-S1473 PolarHBondContact O-N 3.44Å; I1469-S1473 PolarHBondContact O-OG 2.75Å; I1469-F1551 HydrophobicContact CB-CE1 4.36Å; I1469-F1551 HydrophobicContact CG1-CE1 4.32Å; I1469-F1551 HydrophobicContact CG2-CE1 3.92Å; I1469-F1551 HydrophobicContact CG2-CZ 4.06Å; I1469-L1554 HydrophobicContact CG1-CD1 3.89Å
1470I90.4Very high88.6Confident63 Ų6331 Ų3132%0.32316%0.163SC..Hα-helixtrans-60.4-47176.4-69.6165000110.7L1449 L1466 S1473 L1474L1449-I1470 HydrophobicContact CD1-CG1 3.81Å; L1449-I1470 HydrophobicContact CD2-CD1 4.41Å; L1449-I1470 HydrophobicContact CD2-CG1 3.66Å; L1449-I1470 HydrophobicContact CG-CG1 4.42Å; L1466-I1470 HydrophobicContact CD1-CD1 4.46Å; L1466-I1470 HydrophobicContact CG-CD1 3.99Å; L1466-I1470 WeakPolarHBondContact O-CB 3.39Å; L1466-I1470 WeakPolarHBondContact O-CD1 3.34Å; L1466-I1470 VanDerWaalsContact O-CG1 3.24Å; L1466-I1470 WeakPolarHBondContact O-CG1 3.44Å; L1466-I1470 PolarHBondContact O-N 2.75Å; I1470-S1473 PolarHBondContact O-OG 3.35Å; I1470-S1473 VanDerWaalsContact O-OG 3.14Å; I1470-L1474 HydrophobicContact CG2-CD1 3.95Å; I1470-L1474 WeakPolarHBondContact O-CB 3.28Å; I1470-L1474 WeakPolarHBondContact O-CD1 3.25Å; I1470-L1474 VanDerWaalsContact O-CG 3.26Å; I1470-L1474 WeakPolarHBondContact O-CG 3.48Å; I1470-L1474 PolarHBondContact O-N 2.84Å
1471G91.1Very high89.2Confident18 Ų1831 Ų3119%0.18616%0.164CC..Hα-helixtrans-59.7-53.1177.500000112.5V1467 G1468 S1473 L1474 A1475 F1585V1467-G1471 PolarHBondContact O-N 2.65Å; G1468-G1471 PolarHBondContact O-N 2.88Å; G1471-S1473 PolarHBondContact O-N 3.36Å; G1471-L1474 PolarHBondContact O-N 3.37Å; G1471-A1475 PolarHBondContact O-N 2.83Å; G1471-A1475 VanDerWaalsContact O-N 3.09Å; G1471-F1585 VanDerWaalsContact C-CE1 3.44Å; G1471-F1585 WeakPolarHBondContact O-CE1 3.36Å
1472L90.9Very high89.6Confident0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-63.9-41-174.9-171.967000112.1G1468 I1469 A1475 F1476 L1547 F1551 H1584 F1585 L1588G1468-L1472 WeakPolarHBondContact O-CB 3.19Å; G1468-L1472 PolarHBondContact O-N 2.83Å; I1469-L1472 PolarHBondContact O-N 3.47Å; L1472-A1475 PolarHBondContact O-N 3.1Å; L1472-F1476 WeakPolarHBondContact O-CB 3.5Å; L1472-F1476 PolarHBondContact O-N 3.04Å; L1472-L1547 HydrophobicContact CD2-CD1 4.01Å; L1472-L1547 HydrophobicContact CG-CD1 3.9Å; L1472-F1551 HydrophobicContact CD2-CD1 3.76Å; L1472-F1551 HydrophobicContact CD2-CE1 4.01Å; L1472-H1584 HydrophobicContact CD1-CB 3.76Å; L1472-F1585 HydrophobicContact CB-CZ 4.39Å; L1472-L1588 HydrophobicContact CD1-CD1 3.81Å
1473S88.2Confident90.1Very high3 Ų327.6 Ų27.62%0.02115%0.146CC..Hα-helixtrans-69.5-33.3179.359.30000113.5L1445 I1469 I1470 G1471 S1477L1445-S1473 WeakPolarHBondContact CD1-O 3.46Å; I1469-S1473 VanDerWaalsContact O-CB 3.29Å; I1469-S1473 WeakPolarHBondContact O-CB 3.33Å; I1469-S1473 PolarHBondContact O-N 3.44Å; I1469-S1473 PolarHBondContact O-OG 2.75Å; I1470-S1473 PolarHBondContact O-OG 3.35Å; I1470-S1473 VanDerWaalsContact O-OG 3.14Å; G1471-S1473 PolarHBondContact O-N 3.36Å; S1473-S1477 WeakPolarHBondContact O-CB 3.44Å; S1473-S1477 PolarHBondContact O-N 2.86Å; S1473-S1477 PolarHBondContact O-OG 2.66Å
1474L91.7Very high90.4Very high63 Ų6323.7 Ų23.733%0.3313%0.133SC..Hα-helixtrans-67.4-40.9171.1-73170.4000112.1V1442 L1445 I1470 G1471 S1477 F1478V1442-L1474 HydrophobicContact CG2-CD2 3.92Å; L1445-L1474 HydrophobicContact CD1-CD2 3.96Å; L1445-L1474 HydrophobicContact CD1-CG 4.29Å; I1470-L1474 HydrophobicContact CG2-CD1 3.95Å; I1470-L1474 WeakPolarHBondContact O-CB 3.28Å; I1470-L1474 WeakPolarHBondContact O-CD1 3.25Å; I1470-L1474 VanDerWaalsContact O-CG 3.26Å; I1470-L1474 WeakPolarHBondContact O-CG 3.48Å; I1470-L1474 PolarHBondContact O-N 2.84Å; G1471-L1474 PolarHBondContact O-N 3.37Å; L1474-S1477 PolarHBondContact O-N 2.95Å; L1474-F1478 PolarHBondContact O-N 2.98Å; L1474-F1478 VanDerWaalsContact O-N 3.17Å
1475A92.3Very high90.6Very high20 Ų2019.1 Ų19.117%0.16511%0.112CC..Hα-helixtrans-66.2-42.1174.900000112.1G1471 L1472 S1477 F1478 A1479 F1585 L1588G1471-A1475 PolarHBondContact O-N 2.83Å; G1471-A1475 VanDerWaalsContact O-N 3.09Å; L1472-A1475 PolarHBondContact O-N 3.1Å; A1475-S1477 VanDerWaalsContact C-N 3.34Å; A1475-S1477 PolarHBondContact O-N 3.17Å; A1475-F1478 PolarHBondContact O-N 2.99Å; A1475-A1479 PolarHBondContact O-N 3.25Å; A1475-A1479 VanDerWaalsContact O-N 3.07Å; A1475-F1585 HydrophobicContact CB-CD1 3.85Å; A1475-F1585 HydrophobicContact CB-CE1 4.01Å; A1475-L1588 HydrophobicContact CB-CB 4.28Å; A1475-L1588 HydrophobicContact CB-CD1 3.98Å
1476F92.2Very high90.8Very high0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-56.2-46.5171.7164.5-99.8000112F1396 V1400 M1441 L1472 F1478 A1479 C1480 P1543 I1544 L1547 L1588F1396-F1476 HydrophobicContact CB-CE1 3.96Å; F1396-F1476 HydrophobicContact CB-CZ 4.22Å; V1400-F1476 HydrophobicContact CG2-CE1 3.96Å; V1400-F1476 HydrophobicContact CG2-CZ 3.8Å; M1441-F1476 HydrophobicContact CE-CE1 4.07Å; L1472-F1476 WeakPolarHBondContact O-CB 3.5Å; L1472-F1476 PolarHBondContact O-N 3.04Å; F1476-F1478 VanDerWaalsContact C-N 3.28Å; F1476-F1478 PolarHBondContact O-N 3.11Å; F1476-A1479 PolarHBondContact O-N 3.19Å; F1476-C1480 WeakPolarHBondContact CE2-SG 3.33Å; F1476-C1480 VanDerWaalsContact CZ-SG 3.6Å; F1476-C1480 WeakPolarHBondContact O-CB 3.31Å; F1476-C1480 PolarHBondContact O-N 2.94Å; F1476-P1543 HydrophobicContact CD2-CB 4.05Å; F1476-P1543 WeakPolarHBondContact CD2-O 3.28Å; F1476-P1543 HydrophobicContact CE2-CB 4.31Å; F1476-I1544 HydrophobicContact CE2-CB 3.96Å; F1476-I1544 HydrophobicContact CE2-CG1 4.18Å; F1476-I1544 HydrophobicContact CZ-CD1 4.46Å; F1476-L1547 HydrophobicContact CB-CB 4.41Å; F1476-L1547 HydrophobicContact CB-CD1 4.16Å; F1476-L1547 HydrophobicContact CB-CD2 4.37Å; F1476-L1547 HydrophobicContact CD1-CD2 3.83Å; F1476-L1547 HydrophobicContact CD2-CB 3.81Å; F1476-L1547 HydrophobicContact CD2-CD2 3.8Å; F1476-L1547 HydrophobicContact CD2-CG 4.34Å; F1476-L1547 HydrophobicContact CE1-CD2 3.96Å; F1476-L1547 HydrophobicContact CE2-CB 4.32Å; F1476-L1547 HydrophobicContact CE2-CD2 3.92Å; F1476-L1547 HydrophobicContact CG-CB 4.22Å; F1476-L1547 HydrophobicContact CG-CD1 4.41Å; F1476-L1547 HydrophobicContact CG-CD2 3.73Å; F1476-L1547 HydrophobicContact CG-CG 4.35Å; F1476-L1547 HydrophobicContact CZ-CD2 3.99Å; F1476-L1588 HydrophobicContact CB-CD1 4.49Å
1477S90.2Very high90.9Very high0 Ų020.4 Ų20.40%012%0.123CC..Hα-helixtrans-62.8-34.5179-63.40000112.6S1473 L1474 A1475 V1481S1473-S1477 WeakPolarHBondContact O-CB 3.44Å; S1473-S1477 PolarHBondContact O-N 2.86Å; S1473-S1477 PolarHBondContact O-OG 2.66Å; L1474-S1477 PolarHBondContact O-N 2.95Å; A1475-S1477 VanDerWaalsContact C-N 3.34Å; A1475-S1477 PolarHBondContact O-N 3.17Å; S1477-V1481 WeakPolarHBondContact O-CG2 3.13Å; S1477-V1481 PolarHBondContact O-N 3.49Å
1478F92.7Very high90.9Very high61 Ų6117.4 Ų17.427%0.26811%0.105SC..Hα-helixtrans-69-34.5173.1178.4-96.4000112.7Y1438 L1474 A1475 F1476 P1482 L1589 V1593 L1596Y1438-F1478 HydrophobicContact CE2-CB 4.26Å; L1474-F1478 PolarHBondContact O-N 2.98Å; L1474-F1478 VanDerWaalsContact O-N 3.17Å; A1475-F1478 PolarHBondContact O-N 2.99Å; F1476-F1478 VanDerWaalsContact C-N 3.28Å; F1476-F1478 PolarHBondContact O-N 3.11Å; F1478-P1482 WeakPolarHBondContact O-CD 3.24Å; F1478-P1482 VanDerWaalsContact O-CG 3.32Å; F1478-P1482 WeakPolarHBondContact O-CG 3.27Å; F1478-L1589 HydrophobicContact CD1-CD1 4.38Å; F1478-L1589 HydrophobicContact CE1-CD1 3.96Å; F1478-V1593 HydrophobicContact CE1-CG2 4.27Å; F1478-V1593 HydrophobicContact CZ-CG2 4.41Å; F1478-L1596 HydrophobicContact CE2-CD1 4.43Å; F1478-L1596 HydrophobicContact CZ-CD1 4.09Å
1479A93.1Very high90.7Very high0 Ų019.3 Ų19.30%011%0.113CC..Hα-helixtrans-76.6-39.2177.900000113.3A1475 F1476 S1483 P1543 L1588A1475-A1479 PolarHBondContact O-N 3.25Å; A1475-A1479 VanDerWaalsContact O-N 3.07Å; F1476-A1479 PolarHBondContact O-N 3.19Å; A1479-S1483 PolarHBondContact O-OG 3.35Å; A1479-P1543 HydrophobicContact CB-CB 3.9Å; A1479-P1543 HydrophobicContact CB-CG 3.83Å; A1479-L1588 HydrophobicContact CB-CB 4.29Å; A1479-L1588 HydrophobicContact CB-CD2 3.85Å; A1479-L1588 WeakPolarHBondContact CB-O 3.41Å
1480C91.5Very high90.7Very high7 Ų725.3 Ų25.35%0.04714%0.144CC..Hα-helixtrans-73.6-42.8-175.1-91.80000114.2V1400 F1476 S1483 V1484V1400-C1480 HydrophobicContact CG1-CB 4.03Å; V1400-C1480 HydrophobicContact CG2-CB 3.86Å; F1476-C1480 WeakPolarHBondContact CE2-SG 3.33Å; F1476-C1480 VanDerWaalsContact CZ-SG 3.6Å; F1476-C1480 WeakPolarHBondContact O-CB 3.31Å; F1476-C1480 PolarHBondContact O-N 2.94Å; C1480-S1483 WeakPolarHBondContact O-CB 3.32Å; C1480-S1483 PolarHBondContact O-N 3.5Å; C1480-S1483 VanDerWaalsContact O-N 3.12Å; C1480-V1484 PolarHBondContact O-N 3.49Å
1481V91.7Very high90.4Very high9 Ų924 Ų246%0.05514%0.136CC..Hα-helixtrans-60.4-49.3-175.5171.90000112.6L1434 D1437 M1441 S1477 S1483 V1484 H1485L1434-V1481 HydrophobicContact CD1-CB 4.34Å; L1434-V1481 HydrophobicContact CD1-CG1 3.79Å; D1437-V1481 HydrophobicContact CB-CG1 3.66Å; D1437-V1481 HydrophobicContact CB-CG2 4.33Å; M1441-V1481 HydrophobicContact CG-CG2 3.68Å; S1477-V1481 WeakPolarHBondContact O-CG2 3.13Å; S1477-V1481 PolarHBondContact O-N 3.49Å; V1481-S1483 VanDerWaalsContact C-N 3.27Å; V1481-S1483 PolarHBondContact O-N 3.05Å; V1481-V1484 PolarHBondContact O-N 3.08Å; V1481-H1485 PolarHBondContact O-CD2 3.02Å; V1481-H1485 PolarHBondContact O-N 2.88Å; V1481-H1485 VanDerWaalsContact O-N 3.08Å
1482P92Very high89.8Confident0 Ų026.8 Ų26.80%015%0.153CC..Hα-helixtrans-61.3-34.3174-23.735.4000113.3L1434 F1478 H1485 V1486 A1595 L1596L1434-P1482 HydrophobicContact CD1-CG 3.94Å; F1478-P1482 WeakPolarHBondContact O-CD 3.24Å; F1478-P1482 VanDerWaalsContact O-CG 3.32Å; F1478-P1482 WeakPolarHBondContact O-CG 3.27Å; P1482-H1485 WeakPolarHBondContact O-CB 3.38Å; P1482-H1485 PolarHBondContact O-N 2.92Å; P1482-H1485 VanDerWaalsContact O-N 3.15Å; P1482-V1486 WeakPolarHBondContact O-CG2 3.27Å; P1482-V1486 PolarHBondContact O-N 2.95Å; P1482-A1595 HydrophobicContact CB-CB 3.75Å; P1482-L1596 HydrophobicContact CB-CD2 3.81Å; P1482-L1596 HydrophobicContact CB-CG 3.74Å; P1482-L1596 HydrophobicContact CG-CD1 4.33Å; P1482-L1596 HydrophobicContact CG-CD2 3.73Å; P1482-L1596 HydrophobicContact CG-CG 3.66Å
1483S90.8Very high89.3Confident33 Ų3330.8 Ų30.823%0.23117%0.174CC..Hα-helixtrans-65.4-42.9177.7-59.90000111.4A1479 C1480 V1481 H1485 V1486 A1487A1479-S1483 PolarHBondContact O-OG 3.35Å; C1480-S1483 WeakPolarHBondContact O-CB 3.32Å; C1480-S1483 PolarHBondContact O-N 3.5Å; C1480-S1483 VanDerWaalsContact O-N 3.12Å; V1481-S1483 VanDerWaalsContact C-N 3.27Å; V1481-S1483 PolarHBondContact O-N 3.05Å; S1483-H1485 VanDerWaalsContact C-N 3.27Å; S1483-H1485 PolarHBondContact O-N 3.03Å; S1483-V1486 PolarHBondContact O-N 3.33Å; S1483-A1487 PolarHBondContact O-N 3.02Å
1484V91.5Very high89Confident12 Ų1232.1 Ų32.17%0.07318%0.183CC..Hα-helixtrans-61.6-35.2171.1174.20000111.4V1400 C1480 V1481 V1486 A1487 E1488 I1501V1400-V1484 HydrophobicContact CG1-CG2 3.54Å; C1480-V1484 PolarHBondContact O-N 3.49Å; V1481-V1484 PolarHBondContact O-N 3.08Å; V1484-V1486 VanDerWaalsContact C-N 3.32Å; V1484-V1486 PolarHBondContact O-N 2.97Å; V1484-A1487 PolarHBondContact O-N 2.97Å; V1484-E1488 PolarHBondContact O-N 3.37Å; V1484-I1501 HydrophobicContact CG1-CD1 4.48Å
1485H91.9Very high88.4Confident1 Ų130.9 Ų30.91%0.00518%0.18CC..Hα-helixtrans-67.9-24.9176.8-65.2-176.7000114.3W1430 D1437 V1481 P1482 S1483 K1489 N1599W1430-H1485 HydrophobicContact CE3-CB 4.14Å; W1430-H1485 AromaticContact CE3-CG 3.86Å; W1430-H1485 AromaticContact CE3-ND1 3.49Å; W1430-H1485 HydrophobicContact CH2-CB 4.12Å; W1430-H1485 HydrophobicContact CZ3-CB 3.58Å; W1430-H1485 AromaticContact CZ3-CG 3.5Å; W1430-H1485 AromaticContact CZ3-ND1 3.66Å; D1437-H1485 IonicContact OD2-CD2 2.72Å; D1437-H1485 IonicContact OD2-CE1 3.72Å; D1437-H1485 IonicContact OD2-NE2 3.17Å; D1437-H1485 PolarHBondContact OD2-NE2 3Å; V1481-H1485 PolarHBondContact O-CD2 3.02Å; V1481-H1485 PolarHBondContact O-N 2.88Å; V1481-H1485 VanDerWaalsContact O-N 3.08Å; P1482-H1485 WeakPolarHBondContact O-CB 3.38Å; P1482-H1485 PolarHBondContact O-N 2.92Å; P1482-H1485 VanDerWaalsContact O-N 3.15Å; S1483-H1485 VanDerWaalsContact C-N 3.27Å; S1483-H1485 PolarHBondContact O-N 3.03Å; H1485-K1489 VanDerWaalsContact O-CE 3.29Å; H1485-K1489 WeakPolarHBondContact O-CE 3.33Å; H1485-N1599 WeakPolarHBondContact CB-ND2 3.47Å
1486V90.6Very high87.9Confident42 Ų4233.1 Ų33.126%0.25519%0.189SC..Hα-helixtrans-82.4-37.4168.492.50000111P1482 S1483 V1484 K1489 A1595 I1598 N1599P1482-V1486 WeakPolarHBondContact O-CG2 3.27Å; P1482-V1486 PolarHBondContact O-N 2.95Å; S1483-V1486 PolarHBondContact O-N 3.33Å; V1484-V1486 VanDerWaalsContact C-N 3.32Å; V1484-V1486 PolarHBondContact O-N 2.97Å; V1486-K1489 WeakPolarHBondContact O-CB 3.24Å; V1486-K1489 PolarHBondContact O-N 3.37Å; V1486-A1595 WeakPolarHBondContact CG2-O 3.28Å; V1486-I1598 HydrophobicContact CB-CG2 4.37Å; V1486-I1598 HydrophobicContact CG2-CB 4.36Å; V1486-I1598 HydrophobicContact CG2-CG2 3.97Å; V1486-N1599 HydrophobicContact CG2-CB 4.14Å
1487A89Confident87.6Confident23 Ų2333.1 Ų33.119%0.1919%0.189CC..Hα-helixtrans-67.3-36.3-178.800000113.6S1483 V1484 K1489 I1490 F1491 I1501S1483-A1487 PolarHBondContact O-N 3.02Å; V1484-A1487 PolarHBondContact O-N 2.97Å; A1487-K1489 PolarHBondContact O-N 3.37Å; A1487-I1490 WeakPolarHBondContact O-CB 3.49Å; A1487-I1490 PolarHBondContact O-N 2.9Å; A1487-F1491 HydrophobicContact CB-CE2 4.48Å; A1487-F1491 VanDerWaalsContact O-CD2 3.32Å; A1487-F1491 WeakPolarHBondContact O-CD2 3.37Å; A1487-F1491 WeakPolarHBondContact O-CE2 3.27Å; A1487-I1501 HydrophobicContact CB-CD1 4.43Å
1488E89.4Confident87.4Confident2 Ų235.3 Ų35.31%0.00920%0.2CC..G310 helixtrans-53-3118076.490.4-166.200112.6L1407 V1408 R1411 K1416 W1430 V1484 I1490 F1491L1407-E1488 HydrophobicContact CB-CB 4.42Å; L1407-E1488 HydrophobicContact CB-CG 4.35Å; V1408-E1488 HydrophobicContact CG2-CB 3.98Å; R1411-E1488 WeakPolarHBondContact CD-OE2 3.4Å; R1411-E1488 IonicContact NE-OE2 3.16Å; R1411-E1488 PolarHBondContact NE-OE2 2.89Å; R1411-E1488 PolarHBondContact NH2-O 2.96Å; K1416-E1488 IonicContact NZ-OE1 3.06Å; W1430-E1488 HydrophobicContact CH2-CG 4.27Å; V1484-E1488 PolarHBondContact O-N 3.37Å; E1488-I1490 PolarHBondContact O-N 3.4Å; E1488-F1491 PolarHBondContact O-N 2.99Å
1489K85.9Confident86.8Confident41 Ų4134.3 Ų34.318%0.17820%0.199CC..G310 helixtrans-64.6-24.5-177-58.2178.3-174.8172.80112.8R1411 H1485 V1486 A1487 N1599 I1602R1411-K1489 PolarHBondContact NH1-O 2.71Å; R1411-K1489 PolarHBondContact NH2-O 3.32Å; R1411-K1489 VanDerWaalsContact NH2-O 3.08Å; H1485-K1489 VanDerWaalsContact O-CE 3.29Å; H1485-K1489 WeakPolarHBondContact O-CE 3.33Å; V1486-K1489 WeakPolarHBondContact O-CB 3.24Å; V1486-K1489 PolarHBondContact O-N 3.37Å; A1487-K1489 PolarHBondContact O-N 3.37Å; K1489-N1599 WeakPolarHBondContact CE-OD1 3.45Å; K1489-N1599 PolarHBondContact NZ-O 2.99Å; K1489-N1599 VanDerWaalsContact NZ-O 3.15Å; K1489-N1599 PolarHBondContact NZ-OD1 3.25Å; K1489-I1602 HydrophobicContact CD-CD1 4.3Å; K1489-I1602 HydrophobicContact CD-CG2 3.85Å
1490I86.8Confident86.4Confident133 Ų13336 Ų3668%0.68221%0.211SC*.G310 helixtrans-75.1-34.5-179.3-56.8173.8000111.7A1487 E1488A1487-I1490 WeakPolarHBondContact O-CB 3.49Å; A1487-I1490 PolarHBondContact O-N 2.9Å; E1488-I1490 PolarHBondContact O-N 3.4Å
1491F85.6Confident86.2Confident35 Ų3536.4 Ų36.415%0.15421%0.212CC..  trans-96.2121.9-164.5-57.1-69.2000113.7V1408 R1411 A1487 E1488 D1493 I1496 A1497 S1500 I1501V1408-F1491 WeakPolarHBondContact CG1-O 3.49Å; R1411-F1491 PolarHBondContact NH2-O 2.69Å; A1487-F1491 HydrophobicContact CB-CE2 4.48Å; A1487-F1491 VanDerWaalsContact O-CD2 3.32Å; A1487-F1491 WeakPolarHBondContact O-CD2 3.37Å; A1487-F1491 WeakPolarHBondContact O-CE2 3.27Å; E1488-F1491 PolarHBondContact O-N 2.99Å; F1491-D1493 VanDerWaalsContact C-N 3.29Å; F1491-D1493 PolarHBondContact O-N 3.25Å; F1491-I1496 HydrophobicContact CD1-CG2 4.17Å; F1491-A1497 HydrophobicContact CB-CB 3.7Å; F1491-A1497 HydrophobicContact CD2-CB 3.68Å; F1491-A1497 HydrophobicContact CE2-CB 4.49Å; F1491-A1497 HydrophobicContact CG-CB 3.71Å; F1491-S1500 WeakPolarHBondContact CE1-OG 3.35Å; F1491-S1500 WeakPolarHBondContact CZ-OG 3.43Å; F1491-I1501 HydrophobicContact CD2-CD1 4.49Å; F1491-I1501 HydrophobicContact CE2-CD1 4.02Å; F1491-I1501 HydrophobicContact CE2-CG1 4.01Å; F1491-I1501 HydrophobicContact CZ-CG1 4.46Å
1492S79Confident86Confident78 Ų7837.7 Ų37.755%0.54522%0.217SC..SBendtrans-68.5-25.4174.950.80000113.9V1412V1412-S1492 WeakPolarHBondContact CG2-O 3.39Å
1493D79.1Confident85.6Confident84 Ų8440.2 Ų40.245%0.44923%0.234SC..SBendtrans-134129.4-170.1-60-88.1000110.5F1491 S1495 I1496 A1497F1491-D1493 VanDerWaalsContact C-N 3.29Å; F1491-D1493 PolarHBondContact O-N 3.25Å; D1493-S1495 VanDerWaalsContact C-N 3.27Å; D1493-S1495 PolarHBondContact O-N 2.93Å; D1493-I1496 HydrophobicContact CB-CB 4.39Å; D1493-I1496 HydrophobicContact CB-CD1 4.04Å; D1493-I1496 HydrophobicContact CB-CG1 4.05Å; D1493-I1496 PolarHBondContact O-N 2.93Å; D1493-A1497 PolarHBondContact O-N 3.26Å; D1493-A1497 VanDerWaalsContact O-N 3.09Å
1494S82.4Confident85.4Confident30 Ų3041 Ų4121%0.2124%0.242CC..Hα-helixtrans-61.7-33.7-177.252.80000113V1405 I1496 A1497 I1498V1405-S1494 WeakPolarHBondContact O-CB 3.41Å; S1494-I1496 VanDerWaalsContact C-N 3.3Å; S1494-I1496 PolarHBondContact O-N 2.99Å; S1494-A1497 PolarHBondContact O-N 3.32Å; S1494-I1498 PolarHBondContact O-N 3.27Å
1495S78.9Confident85.2Confident38 Ų3841.5 Ų41.527%0.26624%0.244SC..Hα-helixtrans-66.8-27.4175-51.80000113.6D1493 V1499D1493-S1495 VanDerWaalsContact C-N 3.27Å; D1493-S1495 PolarHBondContact O-N 2.93Å; S1495-V1499 WeakPolarHBondContact O-CG2 3.32Å
1496I82.1Confident84.8Confident67 Ų6744.1 Ų44.134%0.34426%0.258SS..Hα-helixtrans-80.4-44.2174.9-61.9178.4000108.9F1491 D1493 S1494 I1498 V1499 S1500F1491-I1496 HydrophobicContact CD1-CG2 4.17Å; D1493-I1496 HydrophobicContact CB-CB 4.39Å; D1493-I1496 HydrophobicContact CB-CD1 4.04Å; D1493-I1496 HydrophobicContact CB-CG1 4.05Å; D1493-I1496 PolarHBondContact O-N 2.93Å; S1494-I1496 VanDerWaalsContact C-N 3.3Å; S1494-I1496 PolarHBondContact O-N 2.99Å; I1496-I1498 PolarHBondContact O-N 2.98Å; I1496-V1499 PolarHBondContact O-N 2.94Å; I1496-S1500 WeakPolarHBondContact O-CB 3.31Å; I1496-S1500 PolarHBondContact O-N 2.93Å; I1496-S1500 PolarHBondContact O-OG 2.93Å
1497A85.6Confident84.6Confident0 Ų046.7 Ų46.70%027%0.269CS..Hα-helixtrans-54.2-50.6-179.700000113.3V1408 F1491 D1493 S1494 V1499 S1500 I1501V1408-A1497 HydrophobicContact CG2-CB 4.1Å; F1491-A1497 HydrophobicContact CB-CB 3.7Å; F1491-A1497 HydrophobicContact CD2-CB 3.68Å; F1491-A1497 HydrophobicContact CE2-CB 4.49Å; F1491-A1497 HydrophobicContact CG-CB 3.71Å; D1493-A1497 PolarHBondContact O-N 3.26Å; D1493-A1497 VanDerWaalsContact O-N 3.09Å; S1494-A1497 PolarHBondContact O-N 3.32Å; A1497-V1499 PolarHBondContact O-N 3.23Å; A1497-S1500 PolarHBondContact O-N 2.84Å; A1497-S1500 PolarHBondContact O-OG 3.04Å; A1497-S1500 VanDerWaalsContact O-OG 3.1Å; A1497-I1501 VanDerWaalsContact O-CB 3.32Å; A1497-I1501 WeakPolarHBondContact O-CB 3.4Å; A1497-I1501 WeakPolarHBondContact O-CD1 3.38Å; A1497-I1501 WeakPolarHBondContact O-CG1 3.24Å; A1497-I1501 PolarHBondContact O-N 3.18Å
1498I85.3Confident84.4Confident45 Ų4547.2 Ų47.223%0.23127%0.27CS..Hα-helixtrans-62.5-43.3-179.1-175.2170.7000112.1A1401 V1405 S1494 I1496 F1502A1401-I1498 HydrophobicContact CB-CG1 4.06Å; V1405-I1498 HydrophobicContact CG2-CB 3.73Å; V1405-I1498 HydrophobicContact CG2-CD1 3.82Å; V1405-I1498 HydrophobicContact CG2-CG1 4.23Å; V1405-I1498 HydrophobicContact CG2-CG2 4.16Å; S1494-I1498 PolarHBondContact O-N 3.27Å; I1496-I1498 PolarHBondContact O-N 2.98Å; I1498-F1502 WeakPolarHBondContact O-CB 3.32Å; I1498-F1502 PolarHBondContact O-N 2.96Å
1499V80.7Confident84.1Confident41 Ų4147.3 Ų47.325%0.24827%0.271CS..Hα-helixtrans-68-46.2180176.40000110.8V741 S1495 I1496 A1497 F1502 C1503V741-V1499 HydrophobicContact CG1-CG1 3.95Å; V741-V1499 HydrophobicContact CG1-CG2 4.16Å; V741-V1499 HydrophobicContact CG2-CG1 3.95Å; V741-V1499 HydrophobicContact CG2-CG2 4.27Å; S1495-V1499 WeakPolarHBondContact O-CG2 3.32Å; I1496-V1499 PolarHBondContact O-N 2.94Å; A1497-V1499 PolarHBondContact O-N 3.23Å; V1499-F1502 PolarHBondContact O-N 2.86Å; V1499-C1503 WeakPolarHBondContact O-CB 3.34Å; V1499-C1503 PolarHBondContact O-N 2.95Å; V1499-C1503 PolarHBondContact O-SG 2.8Å
1500S84.7Confident83.9Confident36 Ų3650.2 Ų50.225%0.25229%0.288SS..Hα-helixtrans-67.1-38.5-178.258.20000112.6F1491 I1496 A1497 A1504F1491-S1500 WeakPolarHBondContact CE1-OG 3.35Å; F1491-S1500 WeakPolarHBondContact CZ-OG 3.43Å; I1496-S1500 WeakPolarHBondContact O-CB 3.31Å; I1496-S1500 PolarHBondContact O-N 2.93Å; I1496-S1500 PolarHBondContact O-OG 2.93Å; A1497-S1500 PolarHBondContact O-N 2.84Å; A1497-S1500 PolarHBondContact O-OG 3.04Å; A1497-S1500 VanDerWaalsContact O-OG 3.1Å; S1500-A1504 VanDerWaalsContact O-CB 3.26Å; S1500-A1504 WeakPolarHBondContact O-CB 3.43Å; S1500-A1504 PolarHBondContact O-N 3.4Å
1501I87.8Confident83.9Confident15 Ų1547.6 Ų47.68%0.07728%0.278CS..Hα-helixtrans-70.4-41.7176.9-65.8167.5000110.3A1401 V1484 A1487 F1491 A1497 A1504 N1505A1401-I1501 HydrophobicContact CB-CB 4.2Å; A1401-I1501 HydrophobicContact CB-CG2 3.98Å; V1484-I1501 HydrophobicContact CG1-CD1 4.48Å; A1487-I1501 HydrophobicContact CB-CD1 4.43Å; F1491-I1501 HydrophobicContact CD2-CD1 4.49Å; F1491-I1501 HydrophobicContact CE2-CD1 4.02Å; F1491-I1501 HydrophobicContact CE2-CG1 4.01Å; F1491-I1501 HydrophobicContact CZ-CG1 4.46Å; A1497-I1501 VanDerWaalsContact O-CB 3.32Å; A1497-I1501 WeakPolarHBondContact O-CB 3.4Å; A1497-I1501 WeakPolarHBondContact O-CD1 3.38Å; A1497-I1501 WeakPolarHBondContact O-CG1 3.24Å; A1497-I1501 PolarHBondContact O-N 3.18Å; I1501-A1504 PolarHBondContact O-N 3.02Å; I1501-N1505 VanDerWaalsContact O-CB 3.26Å; I1501-N1505 WeakPolarHBondContact O-CB 3.22Å; I1501-N1505 PolarHBondContact O-N 2.79Å; I1501-N1505 PolarHBondContact O-ND2 3.4Å
1502F86.4Confident84Confident36 Ų3646.3 Ų46.316%0.15827%0.273CS..Hα-helixtrans-61.5-48.3174.1176.3-114.3000112.1I1394 L1398 A1401 I1498 V1499 A1504 N1505 L1506I1394-F1502 HydrophobicContact CG2-CE2 4.31Å; I1394-F1502 HydrophobicContact CG2-CZ 4.21Å; L1398-F1502 HydrophobicContact CB-CD2 3.97Å; L1398-F1502 HydrophobicContact CB-CE2 3.86Å; L1398-F1502 HydrophobicContact CD1-CD2 4.1Å; L1398-F1502 HydrophobicContact CD1-CE2 4.33Å; L1398-F1502 HydrophobicContact CD1-CG 4.5Å; A1401-F1502 HydrophobicContact CB-CB 3.82Å; I1498-F1502 WeakPolarHBondContact O-CB 3.32Å; I1498-F1502 PolarHBondContact O-N 2.96Å; V1499-F1502 PolarHBondContact O-N 2.86Å; F1502-A1504 PolarHBondContact O-N 2.92Å; F1502-N1505 WeakPolarHBondContact O-CB 3.19Å; F1502-N1505 PolarHBondContact O-N 2.69Å; F1502-L1506 HydrophobicContact CE1-CD1 4.46Å; F1502-L1506 HydrophobicContact CZ-CD1 4.18Å; F1502-L1506 PolarHBondContact O-N 3.11Å
1503C85.2Confident84.1Confident53 Ų5342.7 Ų42.736%0.35825%0.248SC..Hα-helixtrans-64-38177.4-70.90000112.5V1499 L1506 I1507V1499-C1503 WeakPolarHBondContact O-CB 3.34Å; V1499-C1503 PolarHBondContact O-N 2.95Å; V1499-C1503 PolarHBondContact O-SG 2.8Å; C1503-L1506 PolarHBondContact O-N 3.47Å; C1503-I1507 HydrophobicContact CB-CD1 4.44Å; C1503-I1507 VanDerWaalsContact O-CB 3.31Å; C1503-I1507 WeakPolarHBondContact O-CB 3.48Å; C1503-I1507 WeakPolarHBondContact O-CD1 3.42Å; C1503-I1507 WeakPolarHBondContact O-CG1 3.36Å; C1503-I1507 PolarHBondContact O-N 2.77Å
1504A86.4Confident84.1Confident48 Ų4839.7 Ų39.740%0.39724%0.237SC..Hα-helixtrans-64.5-44.6173.500000111.6S1500 I1501 F1502 L1506 I1507 V1508S1500-A1504 VanDerWaalsContact O-CB 3.26Å; S1500-A1504 WeakPolarHBondContact O-CB 3.43Å; S1500-A1504 PolarHBondContact O-N 3.4Å; I1501-A1504 PolarHBondContact O-N 3.02Å; F1502-A1504 PolarHBondContact O-N 2.92Å; A1504-L1506 PolarHBondContact O-N 2.89Å; A1504-I1507 PolarHBondContact O-N 3.12Å; A1504-V1508 WeakPolarHBondContact O-CB 3.47Å; A1504-V1508 VanDerWaalsContact O-CG2 3.25Å; A1504-V1508 WeakPolarHBondContact O-CG2 3.45Å; A1504-V1508 PolarHBondContact O-N 2.95Å
1505N86.6Confident84.1Confident23 Ų2341.4 Ų41.412%0.12324%0.242CC..Hα-helixtrans-60.8-29175.8-76.4-9000113G1397 V1400 I1501 F1502 P1509 I1544G1397-N1505 PolarHBondContact O-ND2 2.94Å; V1400-N1505 WeakPolarHBondContact CG1-ND2 3.3Å; I1501-N1505 VanDerWaalsContact O-CB 3.26Å; I1501-N1505 WeakPolarHBondContact O-CB 3.22Å; I1501-N1505 PolarHBondContact O-N 2.79Å; I1501-N1505 PolarHBondContact O-ND2 3.4Å; F1502-N1505 WeakPolarHBondContact O-CB 3.19Å; F1502-N1505 PolarHBondContact O-N 2.69Å; N1505-P1509 WeakPolarHBondContact O-CD 3.46Å; N1505-P1509 WeakPolarHBondContact O-CG 3.32Å; N1505-I1544 HydrophobicContact CB-CD1 3.84Å; N1505-I1544 WeakPolarHBondContact O-CD1 3.37Å
1506L83.6Confident84.3Confident57 Ų5740.6 Ų40.630%0.29824%0.235SC..Hα-helixtrans-86-44.8177.1-171.9157.7000112.4I1394 F1502 C1503 A1504 P1509 L1510I1394-L1506 HydrophobicContact CD1-CD1 4.42Å; I1394-L1506 HydrophobicContact CG1-CD1 3.98Å; I1394-L1506 HydrophobicContact CG1-CG 4.23Å; F1502-L1506 HydrophobicContact CE1-CD1 4.46Å; F1502-L1506 HydrophobicContact CZ-CD1 4.18Å; F1502-L1506 PolarHBondContact O-N 3.11Å; C1503-L1506 PolarHBondContact O-N 3.47Å; A1504-L1506 PolarHBondContact O-N 2.89Å; L1506-P1509 WeakPolarHBondContact O-CD 3.48Å; L1506-L1510 HydrophobicContact CD2-CD2 4.48Å; L1506-L1510 WeakPolarHBondContact O-CB 3.43Å; L1506-L1510 PolarHBondContact O-N 2.88Å
1507I85.4Confident83.8Confident95 Ų9541.8 Ų41.849%0.48724%0.241SC..Hα-helixtrans-70.2-39-176.1-68.4165.8000111.6C1503 A1504 L1510 V1511C1503-I1507 HydrophobicContact CB-CD1 4.44Å; C1503-I1507 VanDerWaalsContact O-CB 3.31Å; C1503-I1507 WeakPolarHBondContact O-CB 3.48Å; C1503-I1507 WeakPolarHBondContact O-CD1 3.42Å; C1503-I1507 WeakPolarHBondContact O-CG1 3.36Å; C1503-I1507 PolarHBondContact O-N 2.77Å; A1504-I1507 PolarHBondContact O-N 3.12Å; I1507-L1510 PolarHBondContact O-N 3.08Å; I1507-V1511 HydrophobicContact CG2-CG2 4.02Å; I1507-V1511 WeakPolarHBondContact O-CB 3.07Å; I1507-V1511 VanDerWaalsContact O-CG2 3.32Å; I1507-V1511 WeakPolarHBondContact O-CG2 3.38Å; I1507-V1511 PolarHBondContact O-N 3.44Å
1508V86.6Confident83.3Confident35 Ų3546.9 Ų46.921%0.21227%0.268CS..Hα-helixtrans-55.3-61.1-180167.40000112A1504 L1510 V1511 T1512 F1542 I1544A1504-V1508 WeakPolarHBondContact O-CB 3.47Å; A1504-V1508 VanDerWaalsContact O-CG2 3.25Å; A1504-V1508 WeakPolarHBondContact O-CG2 3.45Å; A1504-V1508 PolarHBondContact O-N 2.95Å; V1508-L1510 VanDerWaalsContact C-N 3.34Å; V1508-L1510 PolarHBondContact O-N 2.86Å; V1508-V1511 PolarHBondContact O-N 3.42Å; V1508-T1512 HydrophobicContact CG1-CG2 4.38Å; V1508-T1512 WeakPolarHBondContact O-CG2 3.49Å; V1508-T1512 PolarHBondContact O-N 3.34Å; V1508-T1512 PolarHBondContact O-OG1 3.05Å; V1508-F1542 HydrophobicContact CG1-CB 3.75Å; V1508-F1542 HydrophobicContact CG1-CD1 4.23Å; V1508-F1542 HydrophobicContact CG1-CD2 3.96Å; V1508-F1542 HydrophobicContact CG1-CG 3.72Å; V1508-I1544 HydrophobicContact CB-CG2 4.47Å; V1508-I1544 HydrophobicContact CG1-CG2 4.26Å
1509P82.6Confident82.8Confident4 Ų446.1 Ų46.13%0.02626%0.264CS..Hα-helixtrans-66.3-34.1-177.927.4-34.4000112.4L1393 N1505 L1506 V1511 T1512 M1513 I1544L1393-P1509 HydrophobicContact CD1-CB 3.68Å; L1393-P1509 HydrophobicContact CD1-CG 4.16Å; N1505-P1509 WeakPolarHBondContact O-CD 3.46Å; N1505-P1509 WeakPolarHBondContact O-CG 3.32Å; L1506-P1509 WeakPolarHBondContact O-CD 3.48Å; P1509-V1511 VanDerWaalsContact C-N 3.29Å; P1509-V1511 PolarHBondContact O-N 2.94Å; P1509-T1512 WeakPolarHBondContact CA-OG1 3.49Å; P1509-M1513 WeakPolarHBondContact O-CB 3.36Å; P1509-M1513 VanDerWaalsContact O-CG 3.24Å; P1509-M1513 WeakPolarHBondContact O-CG 3.4Å; P1509-M1513 PolarHBondContact O-N 2.96Å; P1509-I1544 HydrophobicContact CG-CG1 4.42Å; P1509-I1544 HydrophobicContact CG-CG2 4.32Å
1510L81.4Confident82.2Confident102 Ų10246.2 Ų46.253%0.53427%0.273SS..Hα-helixtrans-60-40.8175.5-176.565.2000111.7L1506 I1507 V1508 G1514L1506-L1510 HydrophobicContact CD2-CD2 4.48Å; L1506-L1510 WeakPolarHBondContact O-CB 3.43Å; L1506-L1510 PolarHBondContact O-N 2.88Å; I1507-L1510 PolarHBondContact O-N 3.08Å; V1508-L1510 VanDerWaalsContact C-N 3.34Å; V1508-L1510 PolarHBondContact O-N 2.86Å; L1510-G1514 WeakPolarHBondContact O-CA 3.25Å; L1510-G1514 PolarHBondContact O-N 2.92Å; L1510-G1514 VanDerWaalsContact O-N 3.09Å
1511V86.2Confident81.3Confident77 Ų7750.3 Ų50.347%0.46730%0.297SS..Hα-helixtrans-79.8-44.8178.8173.50000111.9I1507 V1508 P1509 G1514 I1515I1507-V1511 HydrophobicContact CG2-CG2 4.02Å; I1507-V1511 WeakPolarHBondContact O-CB 3.07Å; I1507-V1511 VanDerWaalsContact O-CG2 3.32Å; I1507-V1511 WeakPolarHBondContact O-CG2 3.38Å; I1507-V1511 PolarHBondContact O-N 3.44Å; V1508-V1511 PolarHBondContact O-N 3.42Å; P1509-V1511 VanDerWaalsContact C-N 3.29Å; P1509-V1511 PolarHBondContact O-N 2.94Å; V1511-G1514 PolarHBondContact O-N 2.9Å; V1511-I1515 HydrophobicContact CG1-CD1 3.79Å; V1511-I1515 WeakPolarHBondContact O-CB 3.37Å; V1511-I1515 WeakPolarHBondContact O-CD1 3.32Å; V1511-I1515 WeakPolarHBondContact O-CG1 3.16Å; V1511-I1515 PolarHBondContact O-N 3.08Å
1512T87.9Confident80.4Confident8 Ų854.8 Ų54.85%0.04932%0.324CS..Hα-helixtrans-71.3-42.1-176.7540000112.3V1508 P1509 I1516 F1539 H1545V1508-T1512 HydrophobicContact CG1-CG2 4.38Å; V1508-T1512 WeakPolarHBondContact O-CG2 3.49Å; V1508-T1512 PolarHBondContact O-N 3.34Å; V1508-T1512 PolarHBondContact O-OG1 3.05Å; P1509-T1512 WeakPolarHBondContact CA-OG1 3.49Å; T1512-I1516 WeakPolarHBondContact O-CG1 3.22Å; T1512-I1516 PolarHBondContact O-N 2.99Å; T1512-I1516 VanDerWaalsContact O-N 3.1Å; T1512-F1539 HydrophobicContact CG2-CB 4.04Å; T1512-F1539 HydrophobicContact CG2-CD1 3.74Å; T1512-F1539 HydrophobicContact CG2-CD2 3.72Å; T1512-F1539 HydrophobicContact CG2-CE1 4.07Å; T1512-F1539 HydrophobicContact CG2-CE2 4.04Å; T1512-F1539 HydrophobicContact CG2-CG 3.56Å; T1512-F1539 HydrophobicContact CG2-CZ 4.21Å; T1512-H1545 WeakPolarHBondContact CB-ND1 3.33Å; T1512-H1545 PolarHBondContact OG1-ND1 3.4Å
1513M81.3Confident79Confident3 Ų353.5 Ų53.52%0.01532%0.321CS..Hα-helixtrans-69.1-40.2171.1-61.1-58.917800111.5F1390 P1509 I1515 I1516 L1517 H1545 G1548 D1549 L1552F1390-M1513 HydrophobicContact CE1-CB 3.72Å; F1390-M1513 HydrophobicContact CE1-CG 4.04Å; F1390-M1513 HydrophobicContact CZ-CB 3.55Å; F1390-M1513 HydrophobicContact CZ-CG 4.09Å; P1509-M1513 WeakPolarHBondContact O-CB 3.36Å; P1509-M1513 VanDerWaalsContact O-CG 3.24Å; P1509-M1513 WeakPolarHBondContact O-CG 3.4Å; P1509-M1513 PolarHBondContact O-N 2.96Å; M1513-I1515 VanDerWaalsContact C-N 3.28Å; M1513-I1515 PolarHBondContact O-N 3.46Å; M1513-I1516 PolarHBondContact O-N 3.41Å; M1513-I1516 VanDerWaalsContact O-N 3.15Å; M1513-L1517 WeakPolarHBondContact O-CB 3.43Å; M1513-L1517 VanDerWaalsContact O-CG 3.28Å; M1513-L1517 WeakPolarHBondContact O-CG 3.39Å; M1513-L1517 PolarHBondContact O-N 2.94Å; M1513-H1545 WeakPolarHBondContact CE-CE1 3.27Å; M1513-H1545 WeakPolarHBondContact CE-ND1 3.35Å; M1513-H1545 WeakPolarHBondContact CE-O 3.37Å; M1513-H1545 PolarHBondContact SD-CE1 3.21Å; M1513-G1548 VanDerWaalsContact CE-C 3.46Å; M1513-D1549 HydrophobicContact CE-CB 3.82Å; M1513-L1552 HydrophobicContact CE-CD1 4.21Å; M1513-L1552 HydrophobicContact CG-CD1 4.47Å; M1513-L1552 HydrophobicContact SD-CD1 3.79Å
1514G78.6Confident77.6Confident21 Ų2158.4 Ų58.422%0.21634%0.344CS..Hα-helixtrans-55.5-44.4174.700000111.9L1510 V1511 I1518L1510-G1514 WeakPolarHBondContact O-CA 3.25Å; L1510-G1514 PolarHBondContact O-N 2.92Å; L1510-G1514 VanDerWaalsContact O-N 3.09Å; V1511-G1514 PolarHBondContact O-N 2.9Å; G1514-I1518 VanDerWaalsContact O-CB 3.29Å; G1514-I1518 WeakPolarHBondContact O-CB 3.33Å; G1514-I1518 WeakPolarHBondContact O-CD1 3.02Å; G1514-I1518 WeakPolarHBondContact O-CG1 3.34Å; G1514-I1518 PolarHBondContact O-N 3.1Å
1515I83.5Confident77Confident65 Ų6557.7 Ų57.733%0.33334%0.342SS..Hα-helixtrans-63.6-45.8174.8-72.1164.6000111.6V1511 M1513 I1518 L1519 L1535 F1539V1511-I1515 HydrophobicContact CG1-CD1 3.79Å; V1511-I1515 WeakPolarHBondContact O-CB 3.37Å; V1511-I1515 WeakPolarHBondContact O-CD1 3.32Å; V1511-I1515 WeakPolarHBondContact O-CG1 3.16Å; V1511-I1515 PolarHBondContact O-N 3.08Å; M1513-I1515 VanDerWaalsContact C-N 3.28Å; M1513-I1515 PolarHBondContact O-N 3.46Å; I1515-I1518 PolarHBondContact O-N 3.37Å; I1515-L1519 HydrophobicContact CG2-CD1 3.73Å; I1515-L1519 HydrophobicContact CG2-CG 4.4Å; I1515-L1519 WeakPolarHBondContact O-CB 3.33Å; I1515-L1519 WeakPolarHBondContact O-CG 3.28Å; I1515-L1519 PolarHBondContact O-N 2.78Å; I1515-L1535 HydrophobicContact CG2-CD1 4.34Å; I1515-F1539 HydrophobicContact CB-CE2 4.46Å; I1515-F1539 HydrophobicContact CD1-CZ 4.39Å; I1515-F1539 HydrophobicContact CG2-CE2 4.2Å; I1515-F1539 HydrophobicContact CG2-CZ 4.5Å
1516I81.5Confident76.7Confident21 Ų2161.5 Ų61.511%0.10837%0.367CS..Hα-helixtrans-64.2-42.3179.3-71.9163.6000111.8T1512 M1513 G1520 R1532 N1536 F1539T1512-I1516 WeakPolarHBondContact O-CG1 3.22Å; T1512-I1516 PolarHBondContact O-N 2.99Å; T1512-I1516 VanDerWaalsContact O-N 3.1Å; M1513-I1516 PolarHBondContact O-N 3.41Å; M1513-I1516 VanDerWaalsContact O-N 3.15Å; I1516-G1520 PolarHBondContact O-N 2.78Å; I1516-R1532 HydrophobicContact CG2-CG 3.97Å; I1516-N1536 HydrophobicContact CD1-CB 3.67Å; I1516-N1536 HydrophobicContact CG1-CB 4.31Å; I1516-F1539 HydrophobicContact CD1-CD2 4.13Å; I1516-F1539 HydrophobicContact CG1-CD2 4.47Å
1517L72.7Confident76.7Confident92 Ų9261.7 Ų61.748%0.48238%0.377SS..Hα-helixtrans-67.4-45.4177.9-70.5168000111.2F1390 M1513 L1519 G1520 V1521F1390-L1517 HydrophobicContact CZ-CD1 4.25Å; M1513-L1517 WeakPolarHBondContact O-CB 3.43Å; M1513-L1517 VanDerWaalsContact O-CG 3.28Å; M1513-L1517 WeakPolarHBondContact O-CG 3.39Å; M1513-L1517 PolarHBondContact O-N 2.94Å; L1517-L1519 PolarHBondContact O-N 3.42Å; L1517-G1520 CarbonylContact O-C 3.54Å; L1517-G1520 PolarHBondContact O-N 3.23Å; L1517-G1520 VanDerWaalsContact O-N 3.1Å; L1517-V1521 WeakPolarHBondContact O-CB 3.37Å; L1517-V1521 WeakPolarHBondContact O-CG2 3.31Å; L1517-V1521 PolarHBondContact O-N 2.95Å
1518I74.9Confident76.6Confident107 Ų10763 Ų6355%0.54938%0.376SS..Hα-helixtrans-62.2-44176.1-70.1165.2000110.7G1514 I1515 G1520 V1521 V1522G1514-I1518 VanDerWaalsContact O-CB 3.29Å; G1514-I1518 WeakPolarHBondContact O-CB 3.33Å; G1514-I1518 WeakPolarHBondContact O-CD1 3.02Å; G1514-I1518 WeakPolarHBondContact O-CG1 3.34Å; G1514-I1518 PolarHBondContact O-N 3.1Å; I1515-I1518 PolarHBondContact O-N 3.37Å; I1518-G1520 PolarHBondContact O-N 3.02Å; I1518-V1521 PolarHBondContact O-N 3.07Å; I1518-V1522 HydrophobicContact CG2-CG2 4.1Å; I1518-V1522 WeakPolarHBondContact O-CB 3.33Å; I1518-V1522 WeakPolarHBondContact O-CG2 3.26Å; I1518-V1522 PolarHBondContact O-N 3.34Å
1519L75.4Confident76.1Confident30 Ų3064.3 Ų64.316%0.15738%0.382CS..Hα-helixtrans-65.4-27.2174.8-70.9170.4000112.9I1515 L1517 G1523 W1528 R1532 L1535I1515-L1519 HydrophobicContact CG2-CD1 3.73Å; I1515-L1519 HydrophobicContact CG2-CG 4.4Å; I1515-L1519 WeakPolarHBondContact O-CB 3.33Å; I1515-L1519 WeakPolarHBondContact O-CG 3.28Å; I1515-L1519 PolarHBondContact O-N 2.78Å; L1517-L1519 PolarHBondContact O-N 3.42Å; L1519-G1523 WeakPolarHBondContact O-CA 3.25Å; L1519-G1523 PolarHBondContact O-N 2.83Å; L1519-W1528 HydrophobicContact CD2-CE3 3.8Å; L1519-W1528 HydrophobicContact CD2-CZ3 3.9Å; L1519-R1532 HydrophobicContact CB-CB 4.47Å; L1519-L1535 HydrophobicContact CD1-CD1 3.5Å
1520G67.7Low76.3Confident43 Ų4369.5 Ų69.544%0.44341%0.41SS..Hα-helixtrans-83.8-9.4174.200000115.4I1516 L1517 I1518I1516-G1520 PolarHBondContact O-N 2.78Å; L1517-G1520 CarbonylContact O-C 3.54Å; L1517-G1520 PolarHBondContact O-N 3.23Å; L1517-G1520 VanDerWaalsContact O-N 3.1Å; I1518-G1520 PolarHBondContact O-N 3.02Å
1521V65.1Low76.6Confident122 Ų12272.4 Ų72.474%0.73941%0.414SS*.Hα-helixtrans-112.5-26.5-179.8170.10000112.4L1517 I1518L1517-V1521 WeakPolarHBondContact O-CB 3.37Å; L1517-V1521 WeakPolarHBondContact O-CG2 3.31Å; L1517-V1521 PolarHBondContact O-N 2.95Å; I1518-V1521 PolarHBondContact O-N 3.07Å
1522V68.7Low76.4Confident108 Ų10871.4 Ų71.466%0.65540%0.401SS*.Hα-helixtrans-104.4-12.8179.7-177.70000111.8I1518 D1524I1518-V1522 HydrophobicContact CG2-CG2 4.1Å; I1518-V1522 WeakPolarHBondContact O-CB 3.33Å; I1518-V1522 WeakPolarHBondContact O-CG2 3.26Å; I1518-V1522 PolarHBondContact O-N 3.34Å; V1522-D1524 PolarHBondContact O-N 3.31Å
1523G56.9Low76.3Confident10 Ų1075.2 Ų75.210%0.10342%0.419CS..  trans-102.867.2-166.900000114.5L1519 G1525 W1528L1519-G1523 WeakPolarHBondContact O-CA 3.25Å; L1519-G1523 PolarHBondContact O-N 2.83Å; G1523-G1525 PolarHBondContact O-N 2.83Å; G1523-W1528 VanDerWaalsContact C-CD1 3.48Å; G1523-W1528 VanDerWaalsContact CA-CD1 3.45Å; G1523-W1528 VanDerWaalsContact CA-CG 3.42Å; G1523-W1528 VanDerWaalsContact O-CB 3.29Å; G1523-W1528 WeakPolarHBondContact O-CB 3.48Å
1524D57.6Low76.6Confident155 Ų15577.6 Ų77.683%0.82944%0.438SS*.  trans-70.2117.2170.9-71.4-50.5000111.3V1522V1522-D1524 PolarHBondContact O-N 3.31Å
1525G72.7Confident77.1Confident34 Ų3478.9 Ų78.935%0.35144%0.44SS..SBendtrans123.1155.2172.600000114.7G1523 A1527 W1528 D1529G1523-G1525 PolarHBondContact O-N 2.83Å; G1525-A1527 PolarHBondContact O-N 2.89Å; G1525-A1527 VanDerWaalsContact O-N 3.08Å; G1525-W1528 PolarHBondContact O-N 3.33Å; G1525-D1529 PolarHBondContact O-N 3.49Å
1526P81Confident77.3Confident102 Ų10277 Ų7766%0.66243%0.43SS*.Hα-helixtrans-62.8-26.6-166.624-35.1000114.2W1528 D1529 D1530P1526-W1528 VanDerWaalsContact C-N 3.32Å; P1526-W1528 PolarHBondContact O-N 3.26Å; P1526-D1529 PolarHBondContact O-N 2.77Å; P1526-D1530 PolarHBondContact O-N 2.95Å
1527A83.5Confident77.5Confident61 Ų6181.7 Ų81.750%0.50445%0.452SS..Hα-helixtrans-65.7-34.2175.500000112.5G1525 W1531G1525-A1527 PolarHBondContact O-N 2.89Å; G1525-A1527 VanDerWaalsContact O-N 3.08Å; A1527-W1531 PolarHBondContact O-N 3Å
1528W82.9Confident78.3Confident123 Ų12380.1 Ų80.147%0.46645%0.453SS..Hα-helixtrans-76.3-36.9176.4-65.3117.4000111.6L1519 G1523 G1525 P1526 W1531 R1532L1519-W1528 HydrophobicContact CD2-CE3 3.8Å; L1519-W1528 HydrophobicContact CD2-CZ3 3.9Å; G1523-W1528 VanDerWaalsContact C-CD1 3.48Å; G1523-W1528 VanDerWaalsContact CA-CD1 3.45Å; G1523-W1528 VanDerWaalsContact CA-CG 3.42Å; G1523-W1528 VanDerWaalsContact O-CB 3.29Å; G1523-W1528 WeakPolarHBondContact O-CB 3.48Å; G1525-W1528 PolarHBondContact O-N 3.33Å; P1526-W1528 VanDerWaalsContact C-N 3.32Å; P1526-W1528 PolarHBondContact O-N 3.26Å; W1528-W1531 PolarHBondContact O-N 3.29Å; W1528-R1532 VanDerWaalsContact O-CB 3.27Å; W1528-R1532 WeakPolarHBondContact O-CB 3.14Å; W1528-R1532 PolarHBondContact O-N 3.47Å
1529D77Confident79.1Confident62 Ų6276.7 Ų76.733%0.33243%0.434SS..Hα-helixtrans-56-49.4168.3-75.5-48.1000111.3G1525 P1526 W1531 R1532 H1533G1525-D1529 PolarHBondContact O-N 3.49Å; P1526-D1529 PolarHBondContact O-N 2.77Å; D1529-W1531 PolarHBondContact O-N 2.88Å; D1529-R1532 WeakPolarHBondContact O-CB 3.4Å; D1529-R1532 PolarHBondContact O-N 2.76Å; D1529-R1532 IonicContact OD1-CZ 3.15Å; D1529-R1532 IonicContact OD1-NH1 2.7Å; D1529-R1532 PolarHBondContact OD1-NH1 3.37Å; D1529-R1532 IonicContact OD1-NH2 3.17Å; D1529-R1532 PolarHBondContact OD1-NH2 3.33Å; D1529-H1533 WeakPolarHBondContact O-CB 3.26Å; D1529-H1533 PolarHBondContact O-CD2 2.94Å; D1529-H1533 PolarHBondContact O-N 2.76Å
1530D85.7Confident79.8Confident114 Ų11476 Ų7661%0.6143%0.43SS*.Hα-helixtrans-58.9-47.5177.4-84.9-24.5000111.7P1526 R1532 H1533 A1534P1526-D1530 PolarHBondContact O-N 2.95Å; D1530-R1532 PolarHBondContact O-N 3Å; D1530-H1533 PolarHBondContact O-N 3.35Å; D1530-A1534 WeakPolarHBondContact O-CB 3.31Å; D1530-A1534 PolarHBondContact O-N 2.93Å
1531W87.7Confident80.9Confident163 Ų16379.3 Ų79.362%0.61744%0.436SS*.Hα-helixtrans-62.8-41.2175.8-85.1113.1000112.5A1527 W1528 D1529 A1534 L1535A1527-W1531 PolarHBondContact O-N 3Å; W1528-W1531 PolarHBondContact O-N 3.29Å; D1529-W1531 PolarHBondContact O-N 2.88Å; W1531-A1534 PolarHBondContact O-N 2.69Å; W1531-L1535 VanDerWaalsContact O-CB 3.29Å; W1531-L1535 WeakPolarHBondContact O-CB 3.41Å; W1531-L1535 VanDerWaalsContact O-CG 3.29Å; W1531-L1535 WeakPolarHBondContact O-CG 3.48Å; W1531-L1535 PolarHBondContact O-N 3.48Å
1532R82Confident82Confident55 Ų5577.7 Ų77.721%0.20842%0.42CS..Hα-helixtrans-60.7-45175.4-174.6-170.366.7-133.3-10.4110.9I1516 L1519 W1528 D1529 D1530 N1536I1516-R1532 HydrophobicContact CG2-CG 3.97Å; L1519-R1532 HydrophobicContact CB-CB 4.47Å; W1528-R1532 VanDerWaalsContact O-CB 3.27Å; W1528-R1532 WeakPolarHBondContact O-CB 3.14Å; W1528-R1532 PolarHBondContact O-N 3.47Å; D1529-R1532 WeakPolarHBondContact O-CB 3.4Å; D1529-R1532 PolarHBondContact O-N 2.76Å; D1529-R1532 IonicContact OD1-CZ 3.15Å; D1529-R1532 IonicContact OD1-NH1 2.7Å; D1529-R1532 PolarHBondContact OD1-NH1 3.37Å; D1529-R1532 IonicContact OD1-NH2 3.17Å; D1529-R1532 PolarHBondContact OD1-NH2 3.33Å; D1530-R1532 PolarHBondContact O-N 3Å; R1532-N1536 WeakPolarHBondContact O-CB 3.45Å; R1532-N1536 PolarHBondContact O-N 2.73Å
1533H85.3Confident83.1Confident89 Ų8973.4 Ų73.441%0.41239%0.394SS..Hα-helixtrans-68.9-39.2178.2-73.6-55.7000113D1529 D1530 Q1537D1529-H1533 WeakPolarHBondContact O-CB 3.26Å; D1529-H1533 PolarHBondContact O-CD2 2.94Å; D1529-H1533 PolarHBondContact O-N 2.76Å; D1530-H1533 PolarHBondContact O-N 3.35Å; H1533-Q1537 VanDerWaalsContact O-CG 3.31Å; H1533-Q1537 WeakPolarHBondContact O-CG 3.13Å; H1533-Q1537 PolarHBondContact O-N 3.11Å; H1533-Q1537 VanDerWaalsContact O-N 3.11Å
1534A88.8Confident84.6Confident52 Ų5273.2 Ų73.243%0.4339%0.39SS..Hα-helixtrans-66.8-44.3175.800000112.3D1530 W1531 Q1537 A1538D1530-A1534 WeakPolarHBondContact O-CB 3.31Å; D1530-A1534 PolarHBondContact O-N 2.93Å; W1531-A1534 PolarHBondContact O-N 2.69Å; A1534-Q1537 PolarHBondContact O-N 3.29Å; A1534-A1538 PolarHBondContact O-N 2.86Å
1535L89.2Confident86.2Confident49 Ų4965.8 Ų65.826%0.25735%0.351SS..Hα-helixtrans-66.8-41.4177.6-74.2169.3000111.9I1515 L1519 W1531 A1538 F1539I1515-L1535 HydrophobicContact CG2-CD1 4.34Å; L1519-L1535 HydrophobicContact CD1-CD1 3.5Å; W1531-L1535 VanDerWaalsContact O-CB 3.29Å; W1531-L1535 WeakPolarHBondContact O-CB 3.41Å; W1531-L1535 VanDerWaalsContact O-CG 3.29Å; W1531-L1535 WeakPolarHBondContact O-CG 3.48Å; W1531-L1535 PolarHBondContact O-N 3.48Å; L1535-A1538 WeakPolarHBondContact O-CB 3.15Å; L1535-A1538 PolarHBondContact O-N 3.36Å; L1535-F1539 HydrophobicContact CB-CE2 4.06Å; L1535-F1539 HydrophobicContact CB-CZ 4.36Å; L1535-F1539 HydrophobicContact CD2-CZ 4.17Å; L1535-F1539 VanDerWaalsContact O-CD2 3.29Å; L1535-F1539 WeakPolarHBondContact O-CD2 3.17Å; L1535-F1539 WeakPolarHBondContact O-CG 3.37Å; L1535-F1539 PolarHBondContact O-N 3.29Å
1536N86.2Confident87Confident24 Ų2464.2 Ų64.213%0.12833%0.334CS..Hα-helixtrans-61.1-47.8175.5-169.46.9000111.4I1516 R1532 A1538 F1539 L1540 H1545 D1549I1516-N1536 HydrophobicContact CD1-CB 3.67Å; I1516-N1536 HydrophobicContact CG1-CB 4.31Å; R1532-N1536 WeakPolarHBondContact O-CB 3.45Å; R1532-N1536 PolarHBondContact O-N 2.73Å; N1536-A1538 PolarHBondContact O-N 2.89Å; N1536-F1539 PolarHBondContact O-N 3.44Å; N1536-L1540 PolarHBondContact O-N 2.84Å; N1536-L1540 VanDerWaalsContact O-N 3.1Å; N1536-H1545 PolarHBondContact OD1-NE2 3.04Å; N1536-D1549 VanDerWaalsContact ND2-CG 3.25Å; N1536-D1549 PolarHBondContact ND2-OD1 3.46Å; N1536-D1549 PolarHBondContact ND2-OD2 3.01Å; N1536-D1549 PolarHBondContact OD1-OD1 2.89Å; N1536-D1549 PolarHBondContact OD1-OD2 3Å
1537Q86.8Confident87.4Confident120 Ų12059.3 Ų59.356%0.56130%0.303SS*.Hα-helixtrans-55.6-38.5174.3-74.417844.200112.9H1533 A1534H1533-Q1537 VanDerWaalsContact O-CG 3.31Å; H1533-Q1537 WeakPolarHBondContact O-CG 3.13Å; H1533-Q1537 PolarHBondContact O-N 3.11Å; H1533-Q1537 VanDerWaalsContact O-N 3.11Å; A1534-Q1537 PolarHBondContact O-N 3.29Å
1538A90Very high87.6Confident60 Ų6056.4 Ų56.450%0.49628%0.279SS..Hα-helixtrans-68.6-39175.100000112.7A1534 L1535 N1536 L1540 I1541A1534-A1538 PolarHBondContact O-N 2.86Å; L1535-A1538 WeakPolarHBondContact O-CB 3.15Å; L1535-A1538 PolarHBondContact O-N 3.36Å; N1536-A1538 PolarHBondContact O-N 2.89Å; A1538-L1540 VanDerWaalsContact C-N 3.32Å; A1538-L1540 PolarHBondContact O-N 3.33Å; A1538-I1541 VanDerWaalsContact O-CG2 3.23Å; A1538-I1541 WeakPolarHBondContact O-CG2 3.47Å; A1538-I1541 PolarHBondContact O-N 2.96Å
1539F92Very high87.8Confident35 Ų3551.2 Ų51.215%0.15426%0.26CS..Hα-helixtrans-73.1-18.1-179.3-62-29000114T1512 I1515 I1516 L1535 N1536 I1541 F1542 H1545T1512-F1539 HydrophobicContact CG2-CB 4.04Å; T1512-F1539 HydrophobicContact CG2-CD1 3.74Å; T1512-F1539 HydrophobicContact CG2-CD2 3.72Å; T1512-F1539 HydrophobicContact CG2-CE1 4.07Å; T1512-F1539 HydrophobicContact CG2-CE2 4.04Å; T1512-F1539 HydrophobicContact CG2-CG 3.56Å; T1512-F1539 HydrophobicContact CG2-CZ 4.21Å; I1515-F1539 HydrophobicContact CB-CE2 4.46Å; I1515-F1539 HydrophobicContact CD1-CZ 4.39Å; I1515-F1539 HydrophobicContact CG2-CE2 4.2Å; I1515-F1539 HydrophobicContact CG2-CZ 4.5Å; I1516-F1539 HydrophobicContact CD1-CD2 4.13Å; I1516-F1539 HydrophobicContact CG1-CD2 4.47Å; L1535-F1539 HydrophobicContact CB-CE2 4.06Å; L1535-F1539 HydrophobicContact CB-CZ 4.36Å; L1535-F1539 HydrophobicContact CD2-CZ 4.17Å; L1535-F1539 VanDerWaalsContact O-CD2 3.29Å; L1535-F1539 WeakPolarHBondContact O-CD2 3.17Å; L1535-F1539 WeakPolarHBondContact O-CG 3.37Å; L1535-F1539 PolarHBondContact O-N 3.29Å; N1536-F1539 PolarHBondContact O-N 3.44Å; F1539-I1541 PolarHBondContact O-N 3.38Å; F1539-F1542 WeakPolarHBondContact O-CD2 3.32Å; F1539-F1542 PolarHBondContact O-N 3.42Å; F1539-H1545 VanDerWaalsContact C-CD2 3.41Å; F1539-H1545 VanDerWaalsContact CB-CD2 3.48Å; F1539-H1545 WeakPolarHBondContact CB-CD2 3.4Å; F1539-H1545 PolarHBondContact O-CD2 2.92Å
1540L90.2Very high88.3Confident16 Ų1648.2 Ų48.28%0.08424%0.244CC..THydrogen-bonded Turntrans-57.5-14170.8-66180000114.2N1536 A1538 F1542 A1546 R1583 H1584 A1587N1536-L1540 PolarHBondContact O-N 2.84Å; N1536-L1540 VanDerWaalsContact O-N 3.1Å; A1538-L1540 VanDerWaalsContact C-N 3.32Å; A1538-L1540 PolarHBondContact O-N 3.33Å; L1540-F1542 PolarHBondContact O-N 3.01Å; L1540-A1546 HydrophobicContact CD2-CB 3.75Å; L1540-R1583 HydrophobicContact CD1-CB 4.41Å; L1540-H1584 WeakPolarHBondContact CD2-ND1 3.37Å; L1540-A1587 HydrophobicContact CB-CB 3.89Å; L1540-A1587 HydrophobicContact CD1-CB 4.4Å
1541I89.3Confident88.3Confident111 Ų11143 Ų4357%0.56922%0.216SC*.THydrogen-bonded Turntrans-62.1-23.7170.3-160.5170.9000113A1538 F1539 P1543 V1591A1538-I1541 VanDerWaalsContact O-CG2 3.23Å; A1538-I1541 WeakPolarHBondContact O-CG2 3.47Å; A1538-I1541 PolarHBondContact O-N 2.96Å; F1539-I1541 PolarHBondContact O-N 3.38Å; I1541-P1543 WeakPolarHBondContact O-CD 3.44Å; I1541-V1591 HydrophobicContact CG1-CG2 4.43Å
1542F89.7Confident88Confident89 Ų8937.2 Ų37.239%0.3920%0.197SC..SBendtrans-92.4114.9175.3-58.1-67.9000109.6V1508 F1539 L1540 I1544 H1545 A1546V1508-F1542 HydrophobicContact CG1-CB 3.75Å; V1508-F1542 HydrophobicContact CG1-CD1 4.23Å; V1508-F1542 HydrophobicContact CG1-CD2 3.96Å; V1508-F1542 HydrophobicContact CG1-CG 3.72Å; F1539-F1542 WeakPolarHBondContact O-CD2 3.32Å; F1539-F1542 PolarHBondContact O-N 3.42Å; L1540-F1542 PolarHBondContact O-N 3.01Å; F1542-I1544 PolarHBondContact O-N 3.32Å; F1542-I1544 VanDerWaalsContact O-N 3.09Å; F1542-H1545 HydrophobicContact CB-CB 4.01Å; F1542-H1545 WeakPolarHBondContact O-CB 3.35Å; F1542-H1545 PolarHBondContact O-N 2.83Å; F1542-A1546 PolarHBondContact O-N 3.43Å; F1542-A1546 VanDerWaalsContact O-N 3.08Å
1543P90.4Very high88Confident17 Ų1737.2 Ų37.211%0.1120%0.199CC..Hα-helixtrans-57.2-34.1-174-3037.2000114.6F1476 A1479 I1541 A1546 L1547 L1588 V1591F1476-P1543 HydrophobicContact CD2-CB 4.05Å; F1476-P1543 WeakPolarHBondContact CD2-O 3.28Å; F1476-P1543 HydrophobicContact CE2-CB 4.31Å; A1479-P1543 HydrophobicContact CB-CB 3.9Å; A1479-P1543 HydrophobicContact CB-CG 3.83Å; I1541-P1543 WeakPolarHBondContact O-CD 3.44Å; P1543-A1546 PolarHBondContact O-N 2.85Å; P1543-L1547 PolarHBondContact O-N 2.9Å; P1543-L1588 HydrophobicContact CB-CD2 3.71Å; P1543-V1591 HydrophobicContact CG-CG1 3.82Å
1544I89.8Confident88Confident6 Ų633.2 Ų33.23%0.03118%0.181CC..Hα-helixtrans-77-25.2-179.8-160.5154.6000113.2L1393 F1476 N1505 V1508 P1509 F1542 G1548L1393-I1544 HydrophobicContact CB-CG1 4.4Å; L1393-I1544 HydrophobicContact CD2-CG1 3.83Å; L1393-I1544 WeakPolarHBondContact CD2-O 3.44Å; F1476-I1544 HydrophobicContact CE2-CB 3.96Å; F1476-I1544 HydrophobicContact CE2-CG1 4.18Å; F1476-I1544 HydrophobicContact CZ-CD1 4.46Å; N1505-I1544 HydrophobicContact CB-CD1 3.84Å; N1505-I1544 WeakPolarHBondContact O-CD1 3.37Å; V1508-I1544 HydrophobicContact CB-CG2 4.47Å; V1508-I1544 HydrophobicContact CG1-CG2 4.26Å; P1509-I1544 HydrophobicContact CG-CG1 4.42Å; P1509-I1544 HydrophobicContact CG-CG2 4.32Å; F1542-I1544 PolarHBondContact O-N 3.32Å; F1542-I1544 VanDerWaalsContact O-N 3.09Å; I1544-G1548 PolarHBondContact O-N 3.48Å
1545H89.6Confident87.6Confident0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-68.5-49.9166.4178.774.3000109.9T1512 M1513 N1536 F1539 F1542 L1547 G1548 D1549T1512-H1545 WeakPolarHBondContact CB-ND1 3.33Å; T1512-H1545 PolarHBondContact OG1-ND1 3.4Å; M1513-H1545 WeakPolarHBondContact CE-CE1 3.27Å; M1513-H1545 WeakPolarHBondContact CE-ND1 3.35Å; M1513-H1545 WeakPolarHBondContact CE-O 3.37Å; M1513-H1545 PolarHBondContact SD-CE1 3.21Å; N1536-H1545 PolarHBondContact OD1-NE2 3.04Å; F1539-H1545 VanDerWaalsContact C-CD2 3.41Å; F1539-H1545 VanDerWaalsContact CB-CD2 3.48Å; F1539-H1545 WeakPolarHBondContact CB-CD2 3.4Å; F1539-H1545 PolarHBondContact O-CD2 2.92Å; F1542-H1545 HydrophobicContact CB-CB 4.01Å; F1542-H1545 WeakPolarHBondContact O-CB 3.35Å; F1542-H1545 PolarHBondContact O-N 2.83Å; H1545-L1547 VanDerWaalsContact C-N 3.27Å; H1545-L1547 PolarHBondContact O-N 3.44Å; H1545-G1548 PolarHBondContact O-N 3.42Å; H1545-D1549 WeakPolarHBondContact O-CB 3.49Å; H1545-D1549 PolarHBondContact O-N 2.91Å
1546A90.8Very high87.1Confident0 Ų033.6 Ų33.60%017%0.172CC..Hα-helixtrans-61.5-30.6179.300000113.9L1540 F1542 P1543 G1550 L1588L1540-A1546 HydrophobicContact CD2-CB 3.75Å; F1542-A1546 PolarHBondContact O-N 3.43Å; F1542-A1546 VanDerWaalsContact O-N 3.08Å; P1543-A1546 PolarHBondContact O-N 2.85Å; A1546-G1550 PolarHBondContact O-N 3.39Å; A1546-L1588 HydrophobicContact CB-CD2 3.96Å; A1546-L1588 HydrophobicContact CB-CG 4.07Å
1547L89.5Confident87Confident0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-67.3-47.4170-18064000111.7L1393 F1396 L1472 F1476 P1543 H1545 F1551L1393-L1547 HydrophobicContact CD2-CB 4.12Å; L1393-L1547 HydrophobicContact CD2-CD2 3.82Å; L1393-L1547 HydrophobicContact CD2-CG 3.92Å; F1396-L1547 HydrophobicContact CB-CD2 4.42Å; F1396-L1547 HydrophobicContact CD2-CD2 3.79Å; F1396-L1547 HydrophobicContact CE2-CD2 4.48Å; F1396-L1547 HydrophobicContact CG-CD2 4.31Å; L1472-L1547 HydrophobicContact CD2-CD1 4.01Å; L1472-L1547 HydrophobicContact CG-CD1 3.9Å; F1476-L1547 HydrophobicContact CB-CB 4.41Å; F1476-L1547 HydrophobicContact CB-CD1 4.16Å; F1476-L1547 HydrophobicContact CB-CD2 4.37Å; F1476-L1547 HydrophobicContact CD1-CD2 3.83Å; F1476-L1547 HydrophobicContact CD2-CB 3.81Å; F1476-L1547 HydrophobicContact CD2-CD2 3.8Å; F1476-L1547 HydrophobicContact CD2-CG 4.34Å; F1476-L1547 HydrophobicContact CE1-CD2 3.96Å; F1476-L1547 HydrophobicContact CE2-CB 4.32Å; F1476-L1547 HydrophobicContact CE2-CD2 3.92Å; F1476-L1547 HydrophobicContact CG-CB 4.22Å; F1476-L1547 HydrophobicContact CG-CD1 4.41Å; F1476-L1547 HydrophobicContact CG-CD2 3.73Å; F1476-L1547 HydrophobicContact CG-CG 4.35Å; F1476-L1547 HydrophobicContact CZ-CD2 3.99Å; P1543-L1547 PolarHBondContact O-N 2.9Å; H1545-L1547 VanDerWaalsContact C-N 3.27Å; H1545-L1547 PolarHBondContact O-N 3.44Å; L1547-F1551 HydrophobicContact CD1-CD1 4.31Å; L1547-F1551 HydrophobicContact CD1-CE1 3.72Å; L1547-F1551 HydrophobicContact CD1-CE2 4.03Å; L1547-F1551 HydrophobicContact CD1-CZ 3.56Å; L1547-F1551 HydrophobicContact CG-CD2 4.49Å; L1547-F1551 HydrophobicContact CG-CE2 4.13Å; L1547-F1551 HydrophobicContact CG-CZ 4.18Å; L1547-F1551 WeakPolarHBondContact O-CG 3.25Å; L1547-F1551 PolarHBondContact O-N 2.94Å
1548G86.6Confident86.8Confident0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-63.6-41.4178.900000112.9M1513 I1544 H1545 F1551 L1552M1513-G1548 VanDerWaalsContact CE-C 3.46Å; I1544-G1548 PolarHBondContact O-N 3.48Å; H1545-G1548 PolarHBondContact O-N 3.42Å; G1548-F1551 PolarHBondContact O-N 3.07Å; G1548-L1552 WeakPolarHBondContact O-CG 3.36Å; G1548-L1552 PolarHBondContact O-N 3.26Å
1549D86.5Confident85.9Confident13 Ų1326.5 Ų26.57%0.0713%0.128CC..Hα-helixtrans-66.3-45.4-177.4-154.657.1000110.5M1513 N1536 H1545 F1551 L1552 E1553 H1584M1513-D1549 HydrophobicContact CE-CB 3.82Å; N1536-D1549 VanDerWaalsContact ND2-CG 3.25Å; N1536-D1549 PolarHBondContact ND2-OD1 3.46Å; N1536-D1549 PolarHBondContact ND2-OD2 3.01Å; N1536-D1549 PolarHBondContact OD1-OD1 2.89Å; N1536-D1549 PolarHBondContact OD1-OD2 3Å; H1545-D1549 WeakPolarHBondContact O-CB 3.49Å; H1545-D1549 PolarHBondContact O-N 2.91Å; D1549-F1551 VanDerWaalsContact C-N 3.31Å; D1549-F1551 PolarHBondContact O-N 3.12Å; D1549-L1552 PolarHBondContact O-N 3.47Å; D1549-E1553 PolarHBondContact O-N 2.95Å; D1549-H1584 IonicContact OD2-CE1 2.71Å; D1549-H1584 PolarHBondContact OD2-CE1 3.21Å; D1549-H1584 IonicContact OD2-ND1 3.77Å
1550G87.6Confident85Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-67.4-27.5174.800000113.7A1546 L1554A1546-G1550 PolarHBondContact O-N 3.39Å; G1550-L1554 WeakPolarHBondContact O-CB 3.38Å; G1550-L1554 WeakPolarHBondContact O-CD1 3.16Å; G1550-L1554 WeakPolarHBondContact O-CG 3.32Å; G1550-L1554 PolarHBondContact O-N 3.01Å; G1550-L1554 VanDerWaalsContact O-N 3.13Å
1551F86.4Confident84.3Confident5 Ų527.1 Ų27.12%0.02214%0.135CC..Hα-helixtrans-72.2-41.1168.9-75.4-3.4000111.9V1389 L1392 F1396 I1469 L1472 L1547 G1548 D1549 L1554 C1555V1389-F1551 HydrophobicContact CB-CB 4.43Å; V1389-F1551 HydrophobicContact CG1-CB 3.74Å; V1389-F1551 HydrophobicContact CG1-CD2 4.19Å; V1389-F1551 HydrophobicContact CG2-CB 3.87Å; L1392-F1551 HydrophobicContact CB-CE2 4.3Å; L1392-F1551 HydrophobicContact CD1-CD2 4.31Å; L1392-F1551 HydrophobicContact CD1-CE2 4.18Å; F1396-F1551 HydrophobicContact CE2-CE2 4.02Å; F1396-F1551 HydrophobicContact CE2-CZ 4.24Å; I1469-F1551 HydrophobicContact CB-CE1 4.36Å; I1469-F1551 HydrophobicContact CG1-CE1 4.32Å; I1469-F1551 HydrophobicContact CG2-CE1 3.92Å; I1469-F1551 HydrophobicContact CG2-CZ 4.06Å; L1472-F1551 HydrophobicContact CD2-CD1 3.76Å; L1472-F1551 HydrophobicContact CD2-CE1 4.01Å; L1547-F1551 HydrophobicContact CD1-CD1 4.31Å; L1547-F1551 HydrophobicContact CD1-CE1 3.72Å; L1547-F1551 HydrophobicContact CD1-CE2 4.03Å; L1547-F1551 HydrophobicContact CD1-CZ 3.56Å; L1547-F1551 HydrophobicContact CG-CD2 4.49Å; L1547-F1551 HydrophobicContact CG-CE2 4.13Å; L1547-F1551 HydrophobicContact CG-CZ 4.18Å; L1547-F1551 WeakPolarHBondContact O-CG 3.25Å; L1547-F1551 PolarHBondContact O-N 2.94Å; G1548-F1551 PolarHBondContact O-N 3.07Å; D1549-F1551 VanDerWaalsContact C-N 3.31Å; D1549-F1551 PolarHBondContact O-N 3.12Å; F1551-L1554 HydrophobicContact CD1-CD1 4.36Å; F1551-L1554 WeakPolarHBondContact O-CB 3.47Å; F1551-L1554 PolarHBondContact O-N 2.94Å; F1551-C1555 PolarHBondContact O-N 3.1Å; F1551-C1555 PolarHBondContact O-SG 3.12Å
1552L80.9Confident83.5Confident41 Ų4124.8 Ų24.822%0.21512%0.123CC..Hα-helixtrans-65.8-42.4176.5-73167.9000112.2V1389 M1513 G1548 D1549 L1554 C1555 K1556V1389-L1552 HydrophobicContact CB-CD2 4.25Å; V1389-L1552 HydrophobicContact CB-CG 4.39Å; V1389-L1552 HydrophobicContact CG1-CG 4.22Å; V1389-L1552 HydrophobicContact CG2-CD2 3.89Å; V1389-L1552 HydrophobicContact CG2-CG 4.17Å; M1513-L1552 HydrophobicContact CE-CD1 4.21Å; M1513-L1552 HydrophobicContact CG-CD1 4.47Å; M1513-L1552 HydrophobicContact SD-CD1 3.79Å; G1548-L1552 WeakPolarHBondContact O-CG 3.36Å; G1548-L1552 PolarHBondContact O-N 3.26Å; D1549-L1552 PolarHBondContact O-N 3.47Å; L1552-L1554 VanDerWaalsContact C-N 3.31Å; L1552-L1554 PolarHBondContact O-N 3.31Å; L1552-C1555 PolarHBondContact O-N 3.1Å; L1552-K1556 WeakPolarHBondContact O-CB 3.21Å; L1552-K1556 PolarHBondContact O-N 2.98Å
1553E83.2Confident82.3Confident55 Ų5522.3 Ų22.326%0.25712%0.116SC..Hα-helixtrans-67.7-28.7173.6-74.9-67.7161.300112.5D1549 K1556 N1557 L1580D1549-E1553 PolarHBondContact O-N 2.95Å; E1553-K1556 VanDerWaalsContact CD-NZ 3.3Å; E1553-K1556 IonicContact OE1-NZ 3.99Å; E1553-K1556 PolarHBondContact OE1-NZ 2.83Å; E1553-K1556 WeakPolarHBondContact OE2-CD 3.26Å; E1553-K1556 IonicContact OE2-NZ 2.85Å; E1553-K1556 PolarHBondContact OE2-NZ 3.43Å; E1553-K1556 VanDerWaalsContact OE2-NZ 3.14Å; E1553-N1557 WeakPolarHBondContact O-CB 3.29Å; E1553-N1557 PolarHBondContact O-N 3.01Å; E1553-L1580 HydrophobicContact CB-CD1 4.32Å
1554L85.6Confident81.3Confident4 Ų424.9 Ų24.92%0.02113%0.125CC..Hα-helixtrans-65.6-51.4168.1-82.1168.5000111.7Q1465 I1469 G1550 F1551 L1552 K1556 N1557 Y1558 P1575 L1581Q1465-L1554 PolarHBondContact NE2-O 3.46Å; I1469-L1554 HydrophobicContact CG1-CD1 3.89Å; G1550-L1554 WeakPolarHBondContact O-CB 3.38Å; G1550-L1554 WeakPolarHBondContact O-CD1 3.16Å; G1550-L1554 WeakPolarHBondContact O-CG 3.32Å; G1550-L1554 PolarHBondContact O-N 3.01Å; G1550-L1554 VanDerWaalsContact O-N 3.13Å; F1551-L1554 HydrophobicContact CD1-CD1 4.36Å; F1551-L1554 WeakPolarHBondContact O-CB 3.47Å; F1551-L1554 PolarHBondContact O-N 2.94Å; L1552-L1554 VanDerWaalsContact C-N 3.31Å; L1552-L1554 PolarHBondContact O-N 3.31Å; L1554-K1556 VanDerWaalsContact C-N 3.33Å; L1554-K1556 PolarHBondContact O-N 3.08Å; L1554-N1557 PolarHBondContact O-N 3.45Å; L1554-Y1558 PolarHBondContact O-N 3.2Å; L1554-P1575 HydrophobicContact CD2-CB 3.6Å; L1554-P1575 HydrophobicContact CD2-CG 4.41Å; L1554-L1581 HydrophobicContact CD1-CD1 4.25Å; L1554-L1581 HydrophobicContact CD2-CD1 4.28Å; L1554-L1581 HydrophobicContact CG-CD1 4.3Å; L1554-L1581 HydrophobicContact CG-CD2 4.31Å
1555C80.3Confident80.3Confident10 Ų1032 Ų327%0.06815%0.152CC..Hα-helixtrans-58.8-45.1177.5-63.80000111.1V1459 F1551 L1552 N1557 Y1558 M1559V1459-C1555 HydrophobicContact CG1-CB 3.96Å; F1551-C1555 PolarHBondContact O-N 3.1Å; F1551-C1555 PolarHBondContact O-SG 3.12Å; L1552-C1555 PolarHBondContact O-N 3.1Å; C1555-N1557 PolarHBondContact O-N 3.17Å; C1555-Y1558 WeakPolarHBondContact O-CB 3.49Å; C1555-Y1558 PolarHBondContact O-N 2.9Å; C1555-Y1558 VanDerWaalsContact O-N 3.1Å; C1555-M1559 VanDerWaalsContact O-CG 3.31Å; C1555-M1559 WeakPolarHBondContact O-CG 3.44Å; C1555-M1559 PolarHBondContact O-N 3.08Å
1556K78.4Confident78.9Confident100 Ų10039.5 Ų39.544%0.43518%0.18SC..Hα-helixtrans-59.3-43.9175.7177.6176.3160.7-160.60112.3L1552 E1553 L1554 Y1558 M1559 V1560L1552-K1556 WeakPolarHBondContact O-CB 3.21Å; L1552-K1556 PolarHBondContact O-N 2.98Å; E1553-K1556 VanDerWaalsContact CD-NZ 3.3Å; E1553-K1556 IonicContact OE1-NZ 3.99Å; E1553-K1556 PolarHBondContact OE1-NZ 2.83Å; E1553-K1556 WeakPolarHBondContact OE2-CD 3.26Å; E1553-K1556 IonicContact OE2-NZ 2.85Å; E1553-K1556 PolarHBondContact OE2-NZ 3.43Å; E1553-K1556 VanDerWaalsContact OE2-NZ 3.14Å; L1554-K1556 VanDerWaalsContact C-N 3.33Å; L1554-K1556 PolarHBondContact O-N 3.08Å; K1556-Y1558 VanDerWaalsContact C-N 3.28Å; K1556-Y1558 PolarHBondContact O-N 3.34Å; K1556-M1559 PolarHBondContact O-N 2.85Å; K1556-V1560 HydrophobicContact CG-CG2 4.3Å; K1556-V1560 VanDerWaalsContact O-CB 3.27Å; K1556-V1560 WeakPolarHBondContact O-CB 3.46Å; K1556-V1560 WeakPolarHBondContact O-CG2 3.45Å; K1556-V1560 PolarHBondContact O-N 3.35Å
1557N83.3Confident77.4Confident13 Ų1342.3 Ų42.37%0.0719%0.191CC..Hα-helixtrans-65.2-28.4174.8179.172.5000113.2E1553 L1554 C1555 A1561 K1573 L1580E1553-N1557 WeakPolarHBondContact O-CB 3.29Å; E1553-N1557 PolarHBondContact O-N 3.01Å; L1554-N1557 PolarHBondContact O-N 3.45Å; C1555-N1557 PolarHBondContact O-N 3.17Å; N1557-A1561 WeakPolarHBondContact O-CB 3.18Å; N1557-K1573 PolarHBondContact ND2-O 3.12Å; N1557-K1573 WeakPolarHBondContact OD1-CB 3.22Å; N1557-K1573 PolarHBondContact OD1-N 3.48Å; N1557-L1580 HydrophobicContact CB-CD2 3.9Å
1558Y82.1Confident76.3Confident22 Ų2250 Ų509%0.08623%0.232CC..Hα-helixtrans-70.3-54.5168.2-176.2-106.1000111.7P1458 V1459 D1462 L1554 C1555 K1556 V1560 A1561 L1562P1458-Y1558 HydrophobicContact CB-CE1 4.48Å; V1459-Y1558 HydrophobicContact CB-CD1 4.22Å; V1459-Y1558 HydrophobicContact CG1-CD1 4.33Å; V1459-Y1558 HydrophobicContact CG2-CD1 3.9Å; V1459-Y1558 HydrophobicContact CG2-CE1 4.04Å; D1462-Y1558 HydrophobicContact CB-CE2 3.91Å; L1554-Y1558 PolarHBondContact O-N 3.2Å; C1555-Y1558 WeakPolarHBondContact O-CB 3.49Å; C1555-Y1558 PolarHBondContact O-N 2.9Å; C1555-Y1558 VanDerWaalsContact O-N 3.1Å; K1556-Y1558 VanDerWaalsContact C-N 3.28Å; K1556-Y1558 PolarHBondContact O-N 3.34Å; Y1558-V1560 PolarHBondContact O-N 3.49Å; Y1558-A1561 CarbonylContact O-C 3.56Å; Y1558-A1561 WeakPolarHBondContact O-CA 3.45Å; Y1558-A1561 WeakPolarHBondContact O-CB 3.44Å; Y1558-A1561 PolarHBondContact O-N 2.97Å; Y1558-L1562 HydrophobicContact CE1-CB 4.34Å; Y1558-L1562 HydrophobicContact CE1-CD2 3.92Å; Y1558-L1562 PolarHBondContact O-N 2.76Å
1559M72.1Confident75.6Confident20 Ų2054.3 Ų54.310%0.09925%0.254CS..Hα-helixtrans-66.1-37.6-171.7-65-63.4-82.900112.1Q1382 C1555 K1556 L1562 V1563Q1382-M1559 HydrophobicContact CG-CB 4.07Å; Q1382-M1559 HydrophobicContact CG-CE 3.58Å; Q1382-M1559 HydrophobicContact CG-CG 4.01Å; C1555-M1559 VanDerWaalsContact O-CG 3.31Å; C1555-M1559 WeakPolarHBondContact O-CG 3.44Å; C1555-M1559 PolarHBondContact O-N 3.08Å; K1556-M1559 PolarHBondContact O-N 2.85Å; M1559-L1562 PolarHBondContact O-N 3.14Å; M1559-L1562 HydrophobicContact SD-CD2 4.27Å; M1559-V1563 WeakPolarHBondContact O-CG2 3.34Å; M1559-V1563 PolarHBondContact O-N 2.64Å
1560V72.1Confident75.1Confident59 Ų5958.4 Ų58.436%0.35828%0.276SS..Hα-helixtrans-62.1-42.4171.5171.80000110.9K1556 Y1558 F1564 S1571K1556-V1560 HydrophobicContact CG-CG2 4.3Å; K1556-V1560 VanDerWaalsContact O-CB 3.27Å; K1556-V1560 WeakPolarHBondContact O-CB 3.46Å; K1556-V1560 WeakPolarHBondContact O-CG2 3.45Å; K1556-V1560 PolarHBondContact O-N 3.35Å; Y1558-V1560 PolarHBondContact O-N 3.49Å; V1560-F1564 HydrophobicContact CG1-CD2 3.68Å; V1560-F1564 HydrophobicContact CG1-CE2 3.83Å; V1560-F1564 WeakPolarHBondContact O-CB 3.33Å; V1560-F1564 VanDerWaalsContact O-CD2 3.26Å; V1560-F1564 WeakPolarHBondContact O-CD2 3.32Å; V1560-F1564 PolarHBondContact O-N 2.83Å; V1560-S1571 PolarHBondContact O-OG 2.86Å
1561A76.4Confident74.8Confident4 Ų460.1 Ų60.13%0.03329%0.288CS..Hα-helixtrans-67.1-37.2174.800000112.8N1557 Y1558 R1565 S1571 Y1572N1557-A1561 WeakPolarHBondContact O-CB 3.18Å; Y1558-A1561 CarbonylContact O-C 3.56Å; Y1558-A1561 WeakPolarHBondContact O-CA 3.45Å; Y1558-A1561 WeakPolarHBondContact O-CB 3.44Å; Y1558-A1561 PolarHBondContact O-N 2.97Å; A1561-R1565 WeakPolarHBondContact O-CB 3.46Å; A1561-R1565 PolarHBondContact O-N 2.98Å; A1561-S1571 WeakPolarHBondContact CA-OG 3.48Å; A1561-Y1572 HydrophobicContact CB-CD2 4.23Å
1562L73.1Confident74.8Confident63 Ų6361.9 Ų61.933%0.3330%0.295SS..Hα-helixtrans-66.7-41.8176.7-17764.1000112.1Y1558 M1559Y1558-L1562 HydrophobicContact CE1-CB 4.34Å; Y1558-L1562 HydrophobicContact CE1-CD2 3.92Å; Y1558-L1562 PolarHBondContact O-N 2.76Å; M1559-L1562 PolarHBondContact O-N 3.14Å; M1559-L1562 HydrophobicContact SD-CD2 4.27Å
1563V63.2Low75.1Confident37 Ų3765.9 Ų65.922%0.22431%0.31CS..Hα-helixtrans-67.3-47.7175.9171.20000110.8M1559 R1565 R1566M1559-V1563 WeakPolarHBondContact O-CG2 3.34Å; M1559-V1563 PolarHBondContact O-N 2.64Å; V1563-R1565 VanDerWaalsContact C-N 3.29Å; V1563-R1565 PolarHBondContact O-N 2.8Å; V1563-R1566 WeakPolarHBondContact O-CB 3.47Å; V1563-R1566 PolarHBondContact O-N 3.35Å; V1563-R1566 VanDerWaalsContact O-N 3.14Å
1564F70.4Confident75.3Confident71 Ų7166.4 Ų66.431%0.31131%0.313SS..Hα-helixtrans-67.8-26.3178.1-80.8-65.3000113.5V1560 R1566 Y1567 D1568 I1569 S1571V1560-F1564 HydrophobicContact CG1-CD2 3.68Å; V1560-F1564 HydrophobicContact CG1-CE2 3.83Å; V1560-F1564 WeakPolarHBondContact O-CB 3.33Å; V1560-F1564 VanDerWaalsContact O-CD2 3.26Å; V1560-F1564 WeakPolarHBondContact O-CD2 3.32Å; V1560-F1564 PolarHBondContact O-N 2.83Å; F1564-R1566 PolarHBondContact O-N 3.23Å; F1564-Y1567 CarbonylContact O-C 3.59Å; F1564-Y1567 WeakPolarHBondContact O-CA 3.49Å; F1564-Y1567 PolarHBondContact O-N 3.05Å; F1564-D1568 PolarHBondContact O-N 2.77Å; F1564-I1569 CarbonylContact C-O 3.41Å; F1564-I1569 HydrophobicContact CB-CB 4.1Å; F1564-I1569 HydrophobicContact CB-CG2 4.14Å; F1564-I1569 WeakPolarHBondContact CB-O 2.93Å; F1564-I1569 HydrophobicContact CD1-CB 4.35Å; F1564-I1569 HydrophobicContact CD1-CD1 4.42Å; F1564-I1569 HydrophobicContact CD1-CG2 4.25Å; F1564-I1569 HydrophobicContact CG-CG2 4.36Å; F1564-I1569 PolarHBondContact O-N 3.3Å; F1564-I1569 VanDerWaalsContact O-N 3.08Å; F1564-S1571 WeakPolarHBondContact CD2-OG 3.33Å
1565R68.1Low75.4Confident156 Ų15666.3 Ų66.359%0.58931%0.312SS*.Hα-helixtrans-63.2-24.6171.8-176.6177.4-179.7-171.9-0.4113.3A1561 V1563 Y1567 D1568 I1569A1561-R1565 WeakPolarHBondContact O-CB 3.46Å; A1561-R1565 PolarHBondContact O-N 2.98Å; V1563-R1565 VanDerWaalsContact C-N 3.29Å; V1563-R1565 PolarHBondContact O-N 2.8Å; R1565-Y1567 PolarHBondContact O-N 2.92Å; R1565-D1568 PolarHBondContact O-N 3.13Å; R1565-I1569 PolarHBondContact N-O 2.86Å
1566R60.5Low75.7Confident156 Ų15669.5 Ų69.559%0.58933%0.328SS*.THydrogen-bonded Turntrans-68.2-8.6170.3-64-174.6177.4-178.5-0.6113.1D1245 V1563 F1564D1245-R1566 IonicContact OD1-NH2 3.81Å; V1563-R1566 WeakPolarHBondContact O-CB 3.47Å; V1563-R1566 PolarHBondContact O-N 3.35Å; V1563-R1566 VanDerWaalsContact O-N 3.14Å; F1564-R1566 PolarHBondContact O-N 3.23Å
1567Y59Low76Confident59 Ų5968.7 Ų68.723%0.23134%0.34CS..THydrogen-bonded Turntrans-120.920.8177-55.1-74000112.5Y392 F1371 F1564 R1565 I1569Y392-Y1567 HydrophobicContact CE2-CE1 4.31Å; Y392-Y1567 WeakPolarHBondContact OH-CE1 3.24Å; F1371-Y1567 HydrophobicContact CD2-CE1 4.49Å; F1371-Y1567 AromaticContact CD2-CZ 4Å; F1371-Y1567 HydrophobicContact CE2-CE1 4.23Å; F1371-Y1567 AromaticContact CE2-CE2 3.95Å; F1371-Y1567 HydrophobicContact CE2-CE2 3.95Å; F1371-Y1567 AromaticContact CE2-CZ 3.73Å; F1371-Y1567 HydrophobicContact CZ-CE2 4.25Å; F1564-Y1567 CarbonylContact O-C 3.59Å; F1564-Y1567 WeakPolarHBondContact O-CA 3.49Å; F1564-Y1567 PolarHBondContact O-N 3.05Å; R1565-Y1567 PolarHBondContact O-N 2.92Å; Y1567-I1569 PolarHBondContact O-N 2.96Å; Y1567-I1569 VanDerWaalsContact O-N 3.13Å
1568D66.2Low76.1Confident161 Ų16170 Ų7086%0.86135%0.35SS*.THydrogen-bonded Turntrans54.923.7-174.3-72.5-39.7000115.9F1564 R1565F1564-D1568 PolarHBondContact O-N 2.77Å; R1565-D1568 PolarHBondContact O-N 3.13Å
1569I72.5Confident76.4Confident91 Ų9176.2 Ų76.247%0.46739%0.385SS..  trans-106.1115.5176.7-65.2164.7000109.5F1564 R1565 Y1567 S1571F1564-I1569 CarbonylContact C-O 3.41Å; F1564-I1569 HydrophobicContact CB-CB 4.1Å; F1564-I1569 HydrophobicContact CB-CG2 4.14Å; F1564-I1569 WeakPolarHBondContact CB-O 2.93Å; F1564-I1569 HydrophobicContact CD1-CB 4.35Å; F1564-I1569 HydrophobicContact CD1-CD1 4.42Å; F1564-I1569 HydrophobicContact CD1-CG2 4.25Å; F1564-I1569 HydrophobicContact CG-CG2 4.36Å; F1564-I1569 PolarHBondContact O-N 3.3Å; F1564-I1569 VanDerWaalsContact O-N 3.08Å; R1565-I1569 PolarHBondContact N-O 2.86Å; Y1567-I1569 PolarHBondContact O-N 2.96Å; Y1567-I1569 VanDerWaalsContact O-N 3.13Å; I1569-S1571 PolarHBondContact O-N 2.85Å
1570D76.2Confident77Confident99 Ų9976.9 Ų76.953%0.52939%0.389SS..  trans-90.4106.1171-158.8-32.8000111.1R1463 Y1572R1463-D1570 IonicContact CZ-OD1 3.35Å; R1463-D1570 IonicContact CZ-OD2 2.9Å; R1463-D1570 VanDerWaalsContact CZ-OD2 3.22Å; R1463-D1570 VanDerWaalsContact NH1-CG 3.26Å; R1463-D1570 IonicContact NH1-OD1 2.76Å; R1463-D1570 PolarHBondContact NH1-OD1 3.45Å; R1463-D1570 IonicContact NH1-OD2 3.33Å; R1463-D1570 PolarHBondContact NH1-OD2 2.89Å; R1463-D1570 IonicContact NH2-OD1 2.97Å; R1463-D1570 IonicContact NH2-OD2 2.78Å; R1463-D1570 PolarHBondContact NH2-OD2 2.95Å; D1570-Y1572 WeakPolarHBondContact OD1-CB 3.42Å; D1570-Y1572 PolarHBondContact OD1-N 2.95Å; D1570-Y1572 VanDerWaalsContact OD1-N 3.08Å
1571S81.5Confident77.9Confident36 Ų3674.1 Ų74.125%0.25237%0.372SS..  trans-98.65.3-178.8600000114.1V1560 A1561 F1564 I1569 K1573V1560-S1571 PolarHBondContact O-OG 2.86Å; A1561-S1571 WeakPolarHBondContact CA-OG 3.48Å; F1564-S1571 WeakPolarHBondContact CD2-OG 3.33Å; I1569-S1571 PolarHBondContact O-N 2.85Å; S1571-K1573 PolarHBondContact O-N 2.67Å
1572Y85.5Confident78.5Confident42 Ų4275.4 Ų75.417%0.16539%0.386CS..PPolyproline II helixtrans-66.6128.6-170.4179.9-97.5000113.8R1463 Q1464 Q1465 A1561 D1570R1463-Y1572 HydrophobicContact CB-CE1 4.01Å; R1463-Y1572 HydrophobicContact CB-CE2 4.08Å; R1463-Y1572 WeakPolarHBondContact CB-OH 3.48Å; R1463-Y1572 HydrophobicContact CG-CE2 4.47Å; Q1464-Y1572 PolarHBondContact N-OH 3.21Å; Q1465-Y1572 HydrophobicContact CG-CE2 3.99Å; Q1465-Y1572 WeakPolarHBondContact CG-OH 3.2Å; A1561-Y1572 HydrophobicContact CB-CD2 4.23Å; D1570-Y1572 WeakPolarHBondContact OD1-CB 3.42Å; D1570-Y1572 PolarHBondContact OD1-N 2.95Å; D1570-Y1572 VanDerWaalsContact OD1-N 3.08Å
1573K87Confident79.3Confident125 Ų12580.2 Ų80.254%0.54340%0.4SS..PPolyproline II helixtrans-99.8136.3174-60.9174.3-175.5171.50110.9N1557 S1571N1557-K1573 PolarHBondContact ND2-O 3.12Å; N1557-K1573 WeakPolarHBondContact OD1-CB 3.22Å; N1557-K1573 PolarHBondContact OD1-N 3.48Å; S1571-K1573 PolarHBondContact O-N 2.67Å
1574H88.7Confident80.7Confident67 Ų6778.9 Ų78.931%0.3139%0.391SS..PPolyproline II helixtrans-69.4126.1177.6-174.3-54.6000110.6L1576 A1577 S1578H1574-L1576 VanDerWaalsContact CE1-C 3.43Å; H1574-L1576 WeakPolarHBondContact CE1-CA 3.41Å; H1574-L1576 PolarHBondContact CE1-N 3.44Å; H1574-L1576 PolarHBondContact ND1-N 3.38Å; H1574-L1576 PolarHBondContact O-N 2.89Å; H1574-A1577 HydrophobicContact CB-CB 4.19Å; H1574-A1577 PolarHBondContact CE1-N 2.85Å; H1574-A1577 PolarHBondContact ND1-N 2.76Å; H1574-S1578 WeakPolarHBondContact O-CB 3.47Å; H1574-S1578 PolarHBondContact O-N 3.39Å; H1574-S1578 VanDerWaalsContact O-N 3.17Å; H1574-S1578 PolarHBondContact O-OG 3.26Å
1575P87.6Confident81.7Confident1 Ų178.1 Ų78.11%0.00639%0.388CS..THydrogen-bonded Turntrans-69.5-33.3-164.325.2-35.9000115.6Q1464 L1554 L1581Q1464-P1575 WeakPolarHBondContact O-CG 3.24Å; L1554-P1575 HydrophobicContact CD2-CB 3.6Å; L1554-P1575 HydrophobicContact CD2-CG 4.41Å; P1575-L1581 HydrophobicContact CB-CD1 4.03Å
1576L84.9Confident82.9Confident78 Ų7874.6 Ų74.641%0.40838%0.384SS..THydrogen-bonded Turntrans-97.5-20.3177.9-64.3-178.6000115.3V1467 H1574 F1585V1467-L1576 HydrophobicContact CB-CD1 4.5Å; V1467-L1576 HydrophobicContact CG1-CD1 3.74Å; H1574-L1576 VanDerWaalsContact CE1-C 3.43Å; H1574-L1576 WeakPolarHBondContact CE1-CA 3.41Å; H1574-L1576 PolarHBondContact CE1-N 3.44Å; H1574-L1576 PolarHBondContact ND1-N 3.38Å; H1574-L1576 PolarHBondContact O-N 2.89Å; L1576-F1585 HydrophobicContact CD2-CE2 3.56Å; L1576-F1585 HydrophobicContact CD2-CZ 3.56Å
1577A85.9Confident84.4Confident83 Ų8368 Ų6869%0.68636%0.363SS*.THydrogen-bonded Turntrans-101.2-6.8-173.900000113.2H1574H1574-A1577 HydrophobicContact CB-CB 4.19Å; H1574-A1577 PolarHBondContact CE1-N 2.85Å; H1574-A1577 PolarHBondContact ND1-N 2.76Å
1578S86.2Confident86Confident39 Ų3965.3 Ų65.327%0.27335%0.352SS..SBendtrans-115.2164.7172.672.20000110.7H1574 L1580H1574-S1578 WeakPolarHBondContact O-CB 3.47Å; H1574-S1578 PolarHBondContact O-N 3.39Å; H1574-S1578 VanDerWaalsContact O-N 3.17Å; H1574-S1578 PolarHBondContact O-OG 3.26Å; S1578-L1580 PolarHBondContact O-N 3.14Å
1579D87.1Confident87.4Confident153 Ų15362.5 Ų62.582%0.81834%0.336SS*.G310 helixtrans-63.1-8-178.9-64.5-39.9000114.7L1581 G1582D1579-L1581 VanDerWaalsContact C-N 3.33Å; D1579-L1581 PolarHBondContact O-N 3.5Å; D1579-G1582 PolarHBondContact O-N 3.09Å; D1579-G1582 VanDerWaalsContact O-N 3.1Å
1580L86Confident88.4Confident35 Ų3564 Ų6418%0.18335%0.345CS..G310 helixtrans-45.2-52.2-175.3-175.270000112.6E1553 N1557 S1578E1553-L1580 HydrophobicContact CB-CD1 4.32Å; N1557-L1580 HydrophobicContact CB-CD2 3.9Å; S1578-L1580 PolarHBondContact O-N 3.14Å
1581L89.3Confident89.2Confident0 Ų060.6 Ų60.60%033%0.327CS..G310 helixtrans-100.5-4.7-179.3-64.2179.9000114.6L1554 P1575 D1579 R1583 H1584 F1585L1554-L1581 HydrophobicContact CD1-CD1 4.25Å; L1554-L1581 HydrophobicContact CD2-CD1 4.28Å; L1554-L1581 HydrophobicContact CG-CD1 4.3Å; L1554-L1581 HydrophobicContact CG-CD2 4.31Å; P1575-L1581 HydrophobicContact CB-CD1 4.03Å; D1579-L1581 VanDerWaalsContact C-N 3.33Å; D1579-L1581 PolarHBondContact O-N 3.5Å; L1581-R1583 PolarHBondContact O-N 2.77Å; L1581-R1583 VanDerWaalsContact O-N 3.12Å; L1581-H1584 PolarHBondContact O-N 3.23Å; L1581-F1585 HydrophobicContact CB-CD2 3.8Å; L1581-F1585 HydrophobicContact CB-CE2 3.6Å; L1581-F1585 HydrophobicContact CD1-CE2 4.07Å; L1581-F1585 VanDerWaalsContact O-CD2 3.3Å; L1581-F1585 WeakPolarHBondContact O-CD2 3.43Å; L1581-F1585 PolarHBondContact O-N 3.25Å; L1581-F1585 VanDerWaalsContact O-N 3.17Å
1582G90.1Very high89.7Confident32 Ų3258.9 Ų58.933%0.3332%0.315SS..Hα-helixtrans-59-31.4-170.100000114.1D1579 T1586D1579-G1582 PolarHBondContact O-N 3.09Å; D1579-G1582 VanDerWaalsContact O-N 3.1Å; G1582-T1586 WeakPolarHBondContact O-CG2 3.43Å; G1582-T1586 PolarHBondContact O-N 2.9Å; G1582-T1586 VanDerWaalsContact O-N 3.16Å; G1582-T1586 PolarHBondContact O-OG1 2.85Å
1583R90.1Very high90.1Very high164 Ų16460 Ų6062%0.61933%0.326SS*.Hα-helixtrans-69.7-39.1176.6-64.4179.9-178.7170.80.2112.6L1540 L1581 T1586 A1587L1540-R1583 HydrophobicContact CD1-CB 4.41Å; L1581-R1583 PolarHBondContact O-N 2.77Å; L1581-R1583 VanDerWaalsContact O-N 3.12Å; R1583-T1586 PolarHBondContact O-OG1 2.82Å; R1583-T1586 VanDerWaalsContact O-OG1 3.11Å; R1583-A1587 WeakPolarHBondContact O-CB 3.28Å; R1583-A1587 PolarHBondContact O-N 3.5Å; R1583-A1587 VanDerWaalsContact O-N 3.1Å
1584H91.7Very high90.4Very high9 Ų956.1 Ų56.14%0.04232%0.318CS..Hα-helixtrans-72.9-41.9178.5-41.5-62.6000111L1472 L1540 D1549 L1581 T1586 A1587 L1588L1472-H1584 HydrophobicContact CD1-CB 3.76Å; L1540-H1584 WeakPolarHBondContact CD2-ND1 3.37Å; D1549-H1584 IonicContact OD2-CE1 2.71Å; D1549-H1584 PolarHBondContact OD2-CE1 3.21Å; D1549-H1584 IonicContact OD2-ND1 3.77Å; L1581-H1584 PolarHBondContact O-N 3.23Å; H1584-T1586 PolarHBondContact O-N 3.32Å; H1584-A1587 PolarHBondContact O-N 3.15Å; H1584-L1588 WeakPolarHBondContact O-CB 3.41Å; H1584-L1588 WeakPolarHBondContact O-CG 3.31Å; H1584-L1588 PolarHBondContact O-N 2.73Å
1585F92.3Very high90.6Very high55 Ų5553.3 Ų53.324%0.24131%0.307CS..Hα-helixtrans-59.2-45.7176.4-79.6-68.2000112.8G1471 L1472 A1475 L1576 L1581 L1589G1471-F1585 VanDerWaalsContact C-CE1 3.44Å; G1471-F1585 WeakPolarHBondContact O-CE1 3.36Å; L1472-F1585 HydrophobicContact CB-CZ 4.39Å; A1475-F1585 HydrophobicContact CB-CD1 3.85Å; A1475-F1585 HydrophobicContact CB-CE1 4.01Å; L1576-F1585 HydrophobicContact CD2-CE2 3.56Å; L1576-F1585 HydrophobicContact CD2-CZ 3.56Å; L1581-F1585 HydrophobicContact CB-CD2 3.8Å; L1581-F1585 HydrophobicContact CB-CE2 3.6Å; L1581-F1585 HydrophobicContact CD1-CE2 4.07Å; L1581-F1585 VanDerWaalsContact O-CD2 3.3Å; L1581-F1585 WeakPolarHBondContact O-CD2 3.43Å; L1581-F1585 PolarHBondContact O-N 3.25Å; L1581-F1585 VanDerWaalsContact O-N 3.17Å; F1585-L1589 WeakPolarHBondContact O-CB 3.18Å; F1585-L1589 PolarHBondContact O-N 2.86Å; F1585-L1589 VanDerWaalsContact O-N 3.09Å
1586T92.4Very high90.7Very high82 Ų8255.5 Ų55.550%0.50332%0.318SS..Hα-helixtrans-67.2-42.6178.347.20000112.1G1582 R1583 H1584 L1590G1582-T1586 WeakPolarHBondContact O-CG2 3.43Å; G1582-T1586 PolarHBondContact O-N 2.9Å; G1582-T1586 VanDerWaalsContact O-N 3.16Å; G1582-T1586 PolarHBondContact O-OG1 2.85Å; R1583-T1586 PolarHBondContact O-OG1 2.82Å; R1583-T1586 VanDerWaalsContact O-OG1 3.11Å; H1584-T1586 PolarHBondContact O-N 3.32Å; T1586-L1590 WeakPolarHBondContact O-CB 3.18Å; T1586-L1590 VanDerWaalsContact O-CG 3.27Å; T1586-L1590 WeakPolarHBondContact O-CG 3.48Å; T1586-L1590 PolarHBondContact O-N 2.88Å; T1586-L1590 VanDerWaalsContact O-N 3.08Å
1587A92.5Very high90.9Very high18 Ų1856.1 Ų56.115%0.14932%0.321CS..Hα-helixtrans-61.3-49.5175.100000112.7L1540 R1583 H1584 L1589 L1590 V1591L1540-A1587 HydrophobicContact CB-CB 3.89Å; L1540-A1587 HydrophobicContact CD1-CB 4.4Å; R1583-A1587 WeakPolarHBondContact O-CB 3.28Å; R1583-A1587 PolarHBondContact O-N 3.5Å; R1583-A1587 VanDerWaalsContact O-N 3.1Å; H1584-A1587 PolarHBondContact O-N 3.15Å; A1587-L1589 PolarHBondContact O-N 2.77Å; A1587-L1590 PolarHBondContact O-N 2.87Å; A1587-V1591 WeakPolarHBondContact O-CG2 3.33Å; A1587-V1591 PolarHBondContact O-N 3.03Å
1588L93.5Very high91.1Very high1 Ų155.5 Ų55.51%0.00531%0.305CS..Hα-helixtrans-60.4-43.3179.8-72.3170000112.1L1472 A1475 F1476 A1479 P1543 A1546 H1584 V1591 G1592L1472-L1588 HydrophobicContact CD1-CD1 3.81Å; A1475-L1588 HydrophobicContact CB-CB 4.28Å; A1475-L1588 HydrophobicContact CB-CD1 3.98Å; F1476-L1588 HydrophobicContact CB-CD1 4.49Å; A1479-L1588 HydrophobicContact CB-CB 4.29Å; A1479-L1588 HydrophobicContact CB-CD2 3.85Å; A1479-L1588 WeakPolarHBondContact CB-O 3.41Å; P1543-L1588 HydrophobicContact CB-CD2 3.71Å; A1546-L1588 HydrophobicContact CB-CD2 3.96Å; A1546-L1588 HydrophobicContact CB-CG 4.07Å; H1584-L1588 WeakPolarHBondContact O-CB 3.41Å; H1584-L1588 WeakPolarHBondContact O-CG 3.31Å; H1584-L1588 PolarHBondContact O-N 2.73Å; L1588-V1591 PolarHBondContact O-N 2.91Å; L1588-G1592 PolarHBondContact O-N 3.5Å
1589L93.6Very high91.2Very high102 Ų10253.8 Ų53.853%0.53429%0.293SS..Hα-helixtrans-62-46.3176.6-176.865000111.7F1478 F1585 A1587 G1592 V1593F1478-L1589 HydrophobicContact CD1-CD1 4.38Å; F1478-L1589 HydrophobicContact CE1-CD1 3.96Å; F1585-L1589 WeakPolarHBondContact O-CB 3.18Å; F1585-L1589 PolarHBondContact O-N 2.86Å; F1585-L1589 VanDerWaalsContact O-N 3.09Å; A1587-L1589 PolarHBondContact O-N 2.77Å; L1589-G1592 PolarHBondContact O-N 3.5Å; L1589-V1593 WeakPolarHBondContact O-CG2 3.44Å; L1589-V1593 PolarHBondContact O-N 3.1Å
1590L94.1Very high91Very high123 Ų12348.8 Ų48.864%0.64427%0.268SS*.Hα-helixtrans-63.1-44.1178.7-73.2170.3000112T1586 A1587 V1593 A1594T1586-L1590 WeakPolarHBondContact O-CB 3.18Å; T1586-L1590 VanDerWaalsContact O-CG 3.27Å; T1586-L1590 WeakPolarHBondContact O-CG 3.48Å; T1586-L1590 PolarHBondContact O-N 2.88Å; T1586-L1590 VanDerWaalsContact O-N 3.08Å; A1587-L1590 PolarHBondContact O-N 2.87Å; L1590-V1593 PolarHBondContact O-N 3.41Å; L1590-A1594 VanDerWaalsContact O-CB 3.25Å; L1590-A1594 WeakPolarHBondContact O-CB 3.29Å; L1590-A1594 PolarHBondContact O-N 3.5Å
1591V93.6Very high90.9Very high27 Ų2749.6 Ų49.616%0.16427%0.272CS..Hα-helixtrans-63.7-43.8177.5173.50000111.2I1541 P1543 A1587 L1588 A1594 A1595I1541-V1591 HydrophobicContact CG1-CG2 4.43Å; P1543-V1591 HydrophobicContact CG-CG1 3.82Å; A1587-V1591 WeakPolarHBondContact O-CG2 3.33Å; A1587-V1591 PolarHBondContact O-N 3.03Å; L1588-V1591 PolarHBondContact O-N 2.91Å; V1591-A1594 PolarHBondContact O-N 3.14Å; V1591-A1595 VanDerWaalsContact O-CB 3.3Å; V1591-A1595 WeakPolarHBondContact O-CB 3.48Å; V1591-A1595 PolarHBondContact O-N 2.89Å
1592G92.5Very high90.6Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-60.7-46.5176.500000113.1L1588 L1589 A1595 L1596L1588-G1592 PolarHBondContact O-N 3.5Å; L1589-G1592 PolarHBondContact O-N 3.5Å; G1592-A1595 PolarHBondContact O-N 3.43Å; G1592-L1596 WeakPolarHBondContact O-CG 3.44Å; G1592-L1596 PolarHBondContact O-N 3.32Å
1593V94.1Very high90.1Very high65 Ų6552.1 Ų52.139%0.39428%0.276SS..Hα-helixtrans-65-43.8176.6172.40000111.4F1478 L1589 L1590 A1595 L1596 I1597F1478-V1593 HydrophobicContact CE1-CG2 4.27Å; F1478-V1593 HydrophobicContact CZ-CG2 4.41Å; L1589-V1593 WeakPolarHBondContact O-CG2 3.44Å; L1589-V1593 PolarHBondContact O-N 3.1Å; L1590-V1593 PolarHBondContact O-N 3.41Å; V1593-A1595 PolarHBondContact O-N 3.45Å; V1593-L1596 PolarHBondContact O-N 3.47Å; V1593-I1597 HydrophobicContact CG1-CD1 3.83Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.19Å; V1593-I1597 PolarHBondContact O-N 2.81Å
1594A93Very high89.3Confident45 Ų4550.5 Ų50.537%0.37227%0.271SS..Hα-helixtrans-61.4-44.1176.900000112L1590 V1591 I1597 I1598L1590-A1594 VanDerWaalsContact O-CB 3.25Å; L1590-A1594 WeakPolarHBondContact O-CB 3.29Å; L1590-A1594 PolarHBondContact O-N 3.5Å; V1591-A1594 PolarHBondContact O-N 3.14Å; A1594-I1597 PolarHBondContact O-N 3.48Å; A1594-I1598 WeakPolarHBondContact O-CB 3.31Å; A1594-I1598 VanDerWaalsContact O-CG1 3.25Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.21Å; A1594-I1598 PolarHBondContact O-N 3.36Å
1595A92Very high88.3Confident8 Ų853 Ų537%0.06628%0.282CS..Hα-helixtrans-65.9-37.2177.500000112.6P1482 V1486 V1591 G1592 V1593 I1598 N1599P1482-A1595 HydrophobicContact CB-CB 3.75Å; V1486-A1595 WeakPolarHBondContact CG2-O 3.28Å; V1591-A1595 VanDerWaalsContact O-CB 3.3Å; V1591-A1595 WeakPolarHBondContact O-CB 3.48Å; V1591-A1595 PolarHBondContact O-N 2.89Å; G1592-A1595 PolarHBondContact O-N 3.43Å; V1593-A1595 PolarHBondContact O-N 3.45Å; A1595-I1598 PolarHBondContact O-N 3.31Å; A1595-N1599 WeakPolarHBondContact O-CB 3.21Å; A1595-N1599 PolarHBondContact O-N 2.88Å
1596L90.2Very high87.1Confident46 Ų4653.2 Ų53.224%0.24129%0.285CS..Hα-helixtrans-60.9-46.8170.4-75.2172000111.8L1434 F1478 P1482 G1592 V1593 N1599 V1600L1434-L1596 HydrophobicContact CD1-CD2 4.27Å; L1434-L1596 HydrophobicContact CD2-CD1 4.49Å; L1434-L1596 HydrophobicContact CD2-CD2 3.89Å; F1478-L1596 HydrophobicContact CE2-CD1 4.43Å; F1478-L1596 HydrophobicContact CZ-CD1 4.09Å; P1482-L1596 HydrophobicContact CB-CD2 3.81Å; P1482-L1596 HydrophobicContact CB-CG 3.74Å; P1482-L1596 HydrophobicContact CG-CD1 4.33Å; P1482-L1596 HydrophobicContact CG-CD2 3.73Å; P1482-L1596 HydrophobicContact CG-CG 3.66Å; G1592-L1596 WeakPolarHBondContact O-CG 3.44Å; G1592-L1596 PolarHBondContact O-N 3.32Å; V1593-L1596 PolarHBondContact O-N 3.47Å; L1596-N1599 WeakPolarHBondContact O-CB 3.43Å; L1596-N1599 PolarHBondContact O-N 3.44Å; L1596-V1600 WeakPolarHBondContact O-CG2 3.4Å; L1596-V1600 PolarHBondContact O-N 3.27Å; L1596-V1600 VanDerWaalsContact O-N 3.12Å
1597I89.9Confident85.7Confident92 Ų9252.9 Ų52.947%0.47228%0.28SS..Hα-helixtrans-61.2-46.9177.6-69.7166.5000110.3V1593 A1594 N1599 V1600 L1601V1593-I1597 HydrophobicContact CG1-CD1 3.83Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.19Å; V1593-I1597 PolarHBondContact O-N 2.81Å; A1594-I1597 PolarHBondContact O-N 3.48Å; I1597-N1599 VanDerWaalsContact C-N 3.34Å; I1597-N1599 PolarHBondContact O-N 3.38Å; I1597-V1600 PolarHBondContact O-N 3.04Å; I1597-L1601 HydrophobicContact CG2-CD1 3.67Å; I1597-L1601 HydrophobicContact CG2-CG 4.11Å; I1597-L1601 WeakPolarHBondContact O-CB 3.2Å; I1597-L1601 VanDerWaalsContact O-CG 3.26Å; I1597-L1601 WeakPolarHBondContact O-CG 3.29Å; I1597-L1601 PolarHBondContact O-N 2.67Å
1598I89.1Confident84.4Confident70 Ų7058.3 Ų58.336%0.35930%0.297SS..Hα-helixtrans-60.3-42.3176.4-69.6164000111.1V1486 A1594 A1595 V1600 L1601 I1602V1486-I1598 HydrophobicContact CB-CG2 4.37Å; V1486-I1598 HydrophobicContact CG2-CB 4.36Å; V1486-I1598 HydrophobicContact CG2-CG2 3.97Å; A1594-I1598 WeakPolarHBondContact O-CB 3.31Å; A1594-I1598 VanDerWaalsContact O-CG1 3.25Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.21Å; A1594-I1598 PolarHBondContact O-N 3.36Å; A1595-I1598 PolarHBondContact O-N 3.31Å; I1598-V1600 VanDerWaalsContact C-N 3.34Å; I1598-V1600 PolarHBondContact O-N 3.22Å; I1598-L1601 PolarHBondContact O-N 3.28Å; I1598-I1602 HydrophobicContact CG2-CD1 3.73Å; I1598-I1602 HydrophobicContact CG2-CG1 4.4Å; I1598-I1602 WeakPolarHBondContact O-CD1 3.33Å; I1598-I1602 VanDerWaalsContact O-CG1 3.24Å; I1598-I1602 WeakPolarHBondContact O-CG1 3.25Å; I1598-I1602 PolarHBondContact O-N 3.42Å
1599N88Confident83Confident3 Ų364.4 Ų64.42%0.01632%0.32CS..Hα-helixtrans-55.8-49176.9-172.48.2000111.3W1430 H1485 V1486 K1489 A1595 L1596 I1597 E1603W1430-N1599 WeakPolarHBondContact CZ2-OD1 3.39Å; H1485-N1599 WeakPolarHBondContact CB-ND2 3.47Å; V1486-N1599 HydrophobicContact CG2-CB 4.14Å; K1489-N1599 WeakPolarHBondContact CE-OD1 3.45Å; K1489-N1599 PolarHBondContact NZ-O 2.99Å; K1489-N1599 VanDerWaalsContact NZ-O 3.15Å; K1489-N1599 PolarHBondContact NZ-OD1 3.25Å; A1595-N1599 WeakPolarHBondContact O-CB 3.21Å; A1595-N1599 PolarHBondContact O-N 2.88Å; L1596-N1599 WeakPolarHBondContact O-CB 3.43Å; L1596-N1599 PolarHBondContact O-N 3.44Å; I1597-N1599 VanDerWaalsContact C-N 3.34Å; I1597-N1599 PolarHBondContact O-N 3.38Å; N1599-E1603 PolarHBondContact O-N 3.44Å
1600V83.1Confident81.6Confident47 Ų4763.4 Ų63.429%0.28532%0.315SS..Hα-helixtrans-67.6-44.6178.6175.60000112.1L1596 I1597 I1598 I1602 E1603 W1604L1596-V1600 WeakPolarHBondContact O-CG2 3.4Å; L1596-V1600 PolarHBondContact O-N 3.27Å; L1596-V1600 VanDerWaalsContact O-N 3.12Å; I1597-V1600 PolarHBondContact O-N 3.04Å; I1598-V1600 VanDerWaalsContact C-N 3.34Å; I1598-V1600 PolarHBondContact O-N 3.22Å; V1600-I1602 VanDerWaalsContact C-N 3.27Å; V1600-I1602 PolarHBondContact O-N 3.35Å; V1600-E1603 PolarHBondContact O-N 3.02Å; V1600-E1603 VanDerWaalsContact O-N 3.15Å; V1600-W1604 HydrophobicContact CG1-CD2 3.57Å; V1600-W1604 HydrophobicContact CG1-CE3 3.75Å; V1600-W1604 HydrophobicContact CG1-CG 4.19Å; V1600-W1604 HydrophobicContact CG1-CH2 3.9Å; V1600-W1604 HydrophobicContact CG1-CZ2 3.71Å; V1600-W1604 HydrophobicContact CG1-CZ3 3.91Å; V1600-W1604 WeakPolarHBondContact O-CB 3.31Å; V1600-W1604 PolarHBondContact O-N 2.92Å
1601L84.7Confident80Confident53 Ų5365.3 Ų65.328%0.27731%0.313SS..Hα-helixtrans-61.1-33.6178.6-73.3174.4000113I1597 I1598 H1605 L1606 L1607I1597-L1601 HydrophobicContact CG2-CD1 3.67Å; I1597-L1601 HydrophobicContact CG2-CG 4.11Å; I1597-L1601 WeakPolarHBondContact O-CB 3.2Å; I1597-L1601 VanDerWaalsContact O-CG 3.26Å; I1597-L1601 WeakPolarHBondContact O-CG 3.29Å; I1597-L1601 PolarHBondContact O-N 2.67Å; I1598-L1601 PolarHBondContact O-N 3.28Å; L1601-H1605 PolarHBondContact O-N 2.97Å; L1601-L1606 HydrophobicContact CD2-CB 3.86Å; L1601-L1606 HydrophobicContact CD2-CD1 3.96Å; L1601-L1606 HydrophobicContact CD2-CG 4.39Å; L1601-L1606 PolarHBondContact O-N 3.14Å; L1601-L1607 HydrophobicContact CB-CD1 4.12Å; L1601-L1607 HydrophobicContact CB-CG 4.4Å; L1601-L1607 PolarHBondContact O-N 2.87Å
1602I82.5Confident78.5Confident63 Ų6367 Ų6732%0.32332%0.32SS..Hα-helixtrans-68.3-48.6173.2-67.3164.8000110.5K1489 I1598 V1600 W1604 H1605 L1607K1489-I1602 HydrophobicContact CD-CD1 4.3Å; K1489-I1602 HydrophobicContact CD-CG2 3.85Å; I1598-I1602 HydrophobicContact CG2-CD1 3.73Å; I1598-I1602 HydrophobicContact CG2-CG1 4.4Å; I1598-I1602 WeakPolarHBondContact O-CD1 3.33Å; I1598-I1602 VanDerWaalsContact O-CG1 3.24Å; I1598-I1602 WeakPolarHBondContact O-CG1 3.25Å; I1598-I1602 PolarHBondContact O-N 3.42Å; V1600-I1602 VanDerWaalsContact C-N 3.27Å; V1600-I1602 PolarHBondContact O-N 3.35Å; I1602-W1604 PolarHBondContact O-N 3.09Å; I1602-H1605 WeakPolarHBondContact O-CA 3.33Å; I1602-H1605 PolarHBondContact O-N 2.86Å; I1602-L1607 HydrophobicContact CG1-CD1 3.72Å
1603E78.7Confident76.9Confident21 Ų2174.7 Ų74.710%0.09835%0.348CS..Hα-helixtrans-67.7-35.4-177.8-78-84.7-169.700113.4K1416 R1420 W1430 N1599 V1600 H1605K1416-E1603 WeakPolarHBondContact CE-OE1 3.19Å; K1416-E1603 IonicContact NZ-OE1 2.77Å; K1416-E1603 PolarHBondContact NZ-OE1 3Å; R1420-E1603 IonicContact NH1-OE2 2.91Å; R1420-E1603 PolarHBondContact NH1-OE2 3.18Å; W1430-E1603 WeakPolarHBondContact CZ2-OE1 3.26Å; W1430-E1603 PolarHBondContact NE1-OE1 3.31Å; W1430-E1603 VanDerWaalsContact NE1-OE1 3.09Å; N1599-E1603 PolarHBondContact O-N 3.44Å; V1600-E1603 PolarHBondContact O-N 3.02Å; V1600-E1603 VanDerWaalsContact O-N 3.15Å; E1603-H1605 PolarHBondContact O-N 3.14Å; E1603-H1605 PolarHBondContact O-ND1 3.41Å
1604W74.8Confident75.4Confident131 Ų13174.9 Ų74.950%0.49635%0.35SS..THydrogen-bonded Turntrans-75.32.4170.1-67.9-4000113.1V1600 I1602 L1606 R1609V1600-W1604 HydrophobicContact CG1-CD2 3.57Å; V1600-W1604 HydrophobicContact CG1-CE3 3.75Å; V1600-W1604 HydrophobicContact CG1-CG 4.19Å; V1600-W1604 HydrophobicContact CG1-CH2 3.9Å; V1600-W1604 HydrophobicContact CG1-CZ2 3.71Å; V1600-W1604 HydrophobicContact CG1-CZ3 3.91Å; V1600-W1604 WeakPolarHBondContact O-CB 3.31Å; V1600-W1604 PolarHBondContact O-N 2.92Å; I1602-W1604 PolarHBondContact O-N 3.09Å; W1604-L1606 HydrophobicContact CB-CB 4.46Å; W1604-L1606 HydrophobicContact CB-CD1 4.48Å; W1604-L1606 HydrophobicContact CE3-CD1 4.14Å; W1604-L1606 PolarHBondContact O-N 2.84Å; W1604-R1609 PolarHBondContact O-NH2 3.35Å
1605H70.6Confident73.8Confident60 Ų6076.5 Ų76.528%0.27835%0.349SS..THydrogen-bonded Turntrans53.926.4-178.6-64.456.4000112.5L1601 I1602 E1603 R1608 R1609L1601-H1605 PolarHBondContact O-N 2.97Å; I1602-H1605 WeakPolarHBondContact O-CA 3.33Å; I1602-H1605 PolarHBondContact O-N 2.86Å; E1603-H1605 PolarHBondContact O-N 3.14Å; E1603-H1605 PolarHBondContact O-ND1 3.41Å; H1605-R1608 PolarHBondContact O-N 2.75Å; H1605-R1609 WeakPolarHBondContact O-CG 3.41Å; H1605-R1609 PolarHBondContact O-N 2.04Å; H1605-R1609 PolarHBondContact O-NE 3.01Å
1606L67Low71.8Confident60 Ų6082.1 Ų82.131%0.31437%0.369SS..Hα-helixtrans-78-40.6-174.9-125.2161.5000110L1601 W1604 R1608 R1609 L1610L1601-L1606 HydrophobicContact CD2-CB 3.86Å; L1601-L1606 HydrophobicContact CD2-CD1 3.96Å; L1601-L1606 HydrophobicContact CD2-CG 4.39Å; L1601-L1606 PolarHBondContact O-N 3.14Å; W1604-L1606 HydrophobicContact CB-CB 4.46Å; W1604-L1606 HydrophobicContact CB-CD1 4.48Å; W1604-L1606 HydrophobicContact CE3-CD1 4.14Å; W1604-L1606 PolarHBondContact O-N 2.84Å; L1606-R1608 VanDerWaalsContact C-N 3.34Å; L1606-R1608 PolarHBondContact O-N 3Å; L1606-R1609 PolarHBondContact O-N 3.33Å; L1606-L1610 HydrophobicContact CD2-CD1 4.4Å; L1606-L1610 WeakPolarHBondContact O-CB 3.28Å; L1606-L1610 PolarHBondContact O-N 3.15Å
1607L62.9Low70.2Confident76 Ų7685.8 Ų85.840%0.39839%0.388SS..Hα-helixtrans-57-43.8167.7-100.9159.8000112.1L1601 I1602 L1610 W1611L1601-L1607 HydrophobicContact CB-CD1 4.12Å; L1601-L1607 HydrophobicContact CB-CG 4.4Å; L1601-L1607 PolarHBondContact O-N 2.87Å; I1602-L1607 HydrophobicContact CG1-CD1 3.72Å; L1607-L1610 PolarHBondContact O-N 3.14Å; L1607-W1611 WeakPolarHBondContact O-CB 3.37Å; L1607-W1611 PolarHBondContact O-N 2.93Å
1608R64Low68.4Low131 Ų13187.7 Ų87.749%0.49440%0.399SS..Hα-helixtrans-64.7-41.7175.9-169.9175.4179.6-170.1-4.1111.8H1605 L1606 W1611 Q1612H1605-R1608 PolarHBondContact O-N 2.75Å; L1606-R1608 VanDerWaalsContact C-N 3.34Å; L1606-R1608 PolarHBondContact O-N 3Å; R1608-W1611 PolarHBondContact O-N 2.91Å; R1608-Q1612 HydrophobicContact CG-CG 4.49Å; R1608-Q1612 VanDerWaalsContact O-CB 3.27Å; R1608-Q1612 WeakPolarHBondContact O-CB 3.14Å; R1608-Q1612 VanDerWaalsContact O-CG 3.22Å; R1608-Q1612 WeakPolarHBondContact O-CG 3.28Å; R1608-Q1612 PolarHBondContact O-N 2.87Å; R1608-Q1612 PolarHBondContact O-OE1 2.92Å
1609R65.2Low66.6Low129 Ų12988.4 Ų88.449%0.48740%0.403SS..Hα-helixtrans-66.7-33.2176.2-77.1-177-82177.3-5.9113.1W1604 H1605 L1606 R1613W1604-R1609 PolarHBondContact O-NH2 3.35Å; H1605-R1609 WeakPolarHBondContact O-CG 3.41Å; H1605-R1609 PolarHBondContact O-N 2.04Å; H1605-R1609 PolarHBondContact O-NE 3.01Å; L1606-R1609 PolarHBondContact O-N 3.33Å; R1609-R1613 WeakPolarHBondContact O-CG 3.42Å; R1609-R1613 PolarHBondContact O-N 3.38Å
1610L64.1Low64.7Low82 Ų8293 Ų9343%0.42943%0.434SS..Hα-helixtrans-71.1-49172.2-85.1162.1000111.6L1606 L1607 Q1612 R1613 V1614L1606-L1610 HydrophobicContact CD2-CD1 4.4Å; L1606-L1610 WeakPolarHBondContact O-CB 3.28Å; L1606-L1610 PolarHBondContact O-N 3.15Å; L1607-L1610 PolarHBondContact O-N 3.14Å; L1610-Q1612 VanDerWaalsContact C-N 3.3Å; L1610-Q1612 PolarHBondContact O-N 3.09Å; L1610-R1613 WeakPolarHBondContact O-CA 3.41Å; L1610-R1613 WeakPolarHBondContact O-CB 3.49Å; L1610-R1613 PolarHBondContact O-N 2.92Å; L1610-V1614 PolarHBondContact O-N 2.9Å
1611W59.5Low63.2Low163 Ų16396 Ų9662%0.61745%0.453SS*.Hα-helixtrans-61.5-40.6178.1-15366.7000111.2L1607 R1608 R1613 V1614 E1615L1607-W1611 WeakPolarHBondContact O-CB 3.37Å; L1607-W1611 PolarHBondContact O-N 2.93Å; R1608-W1611 PolarHBondContact O-N 2.91Å; W1611-R1613 PolarHBondContact O-N 2.77Å; W1611-V1614 CarbonylContact O-C 3.57Å; W1611-V1614 WeakPolarHBondContact O-CA 3.34Å; W1611-V1614 WeakPolarHBondContact O-CB 3.44Å; W1611-V1614 PolarHBondContact O-N 2.66Å; W1611-E1615 HydrophobicContact CD2-CG 4.34Å; W1611-E1615 VanDerWaalsContact CE3-CD 3.42Å; W1611-E1615 HydrophobicContact CE3-CG 4.02Å; W1611-E1615 VanDerWaalsContact CZ3-CD 3.4Å; W1611-E1615 HydrophobicContact CZ3-CG 4.15Å; W1611-E1615 WeakPolarHBondContact CZ3-OE1 3.3Å; W1611-E1615 PolarHBondContact O-N 3.15Å
1612Q61.9Low61.7Low63 Ų6399.9 Ų99.929%0.29447%0.465SS..Hα-helixtrans-63.4-22.2170-75.3175-39.800114.1R1608 L1610 R1616R1608-Q1612 HydrophobicContact CG-CG 4.49Å; R1608-Q1612 VanDerWaalsContact O-CB 3.27Å; R1608-Q1612 WeakPolarHBondContact O-CB 3.14Å; R1608-Q1612 VanDerWaalsContact O-CG 3.22Å; R1608-Q1612 WeakPolarHBondContact O-CG 3.28Å; R1608-Q1612 PolarHBondContact O-N 2.87Å; R1608-Q1612 PolarHBondContact O-OE1 2.92Å; L1610-Q1612 VanDerWaalsContact C-N 3.3Å; L1610-Q1612 PolarHBondContact O-N 3.09Å; Q1612-R1616 WeakPolarHBondContact O-CB 3.15Å; Q1612-R1616 VanDerWaalsContact O-CG 3.31Å; Q1612-R1616 WeakPolarHBondContact O-CG 3.19Å; Q1612-R1616 PolarHBondContact O-N 3.42Å; Q1612-R1616 PolarHBondContact O-NE 2.9Å; Q1612-R1616 PolarHBondContact O-NH2 2.98Å
1613R60.3Low60Low160 Ų160102.3 Ų102.360%0.60447%0.47SS*.Hα-helixtrans-77.7-35.1169.2-74.7172.7-178.3174.7-0.1111.1R1609 L1610 W1611 L1617R1609-R1613 WeakPolarHBondContact O-CG 3.42Å; R1609-R1613 PolarHBondContact O-N 3.38Å; L1610-R1613 WeakPolarHBondContact O-CA 3.41Å; L1610-R1613 WeakPolarHBondContact O-CB 3.49Å; L1610-R1613 PolarHBondContact O-N 2.92Å; W1611-R1613 PolarHBondContact O-N 2.77Å; R1613-L1617 WeakPolarHBondContact O-CG 3.35Å; R1613-L1617 PolarHBondContact O-N 2.85Å
1614V62.4Low58.5Low70 Ų70111.2 Ų111.242%0.42450%0.503SS..Hα-helixtrans-72.1-45.8177.7175.50000111.4L1610 W1611 R1616 L1617 L1618L1610-V1614 PolarHBondContact O-N 2.9Å; W1611-V1614 CarbonylContact O-C 3.57Å; W1611-V1614 WeakPolarHBondContact O-CA 3.34Å; W1611-V1614 WeakPolarHBondContact O-CB 3.44Å; W1611-V1614 PolarHBondContact O-N 2.66Å; V1614-R1616 VanDerWaalsContact C-N 3.33Å; V1614-R1616 PolarHBondContact O-N 3.39Å; V1614-L1617 WeakPolarHBondContact O-CA 3.47Å; V1614-L1617 WeakPolarHBondContact O-CB 3.34Å; V1614-L1617 PolarHBondContact O-N 2.76Å; V1614-L1618 HydrophobicContact CG1-CD1 3.86Å; V1614-L1618 PolarHBondContact O-N 2.81Å
1615E59.2Low57.6Low78 Ų78111.9 Ų111.936%0.36451%0.512SS..Hα-helixtrans-54.5-48.6168.9-71.3176121.200110.4W1611 L1617 L1618 D1619W1611-E1615 HydrophobicContact CD2-CG 4.34Å; W1611-E1615 VanDerWaalsContact CE3-CD 3.42Å; W1611-E1615 HydrophobicContact CE3-CG 4.02Å; W1611-E1615 VanDerWaalsContact CZ3-CD 3.4Å; W1611-E1615 HydrophobicContact CZ3-CG 4.15Å; W1611-E1615 WeakPolarHBondContact CZ3-OE1 3.3Å; W1611-E1615 PolarHBondContact O-N 3.15Å; E1615-L1617 PolarHBondContact O-N 2.73Å; E1615-L1617 VanDerWaalsContact O-N 3.13Å; E1615-L1618 PolarHBondContact O-N 3.37Å; E1615-L1618 VanDerWaalsContact O-N 3.07Å; E1615-D1619 PolarHBondContact O-N 3.05Å
1616R50.7Low56.8Low126 Ų126112.6 Ų112.648%0.47552%0.517SS..Hα-helixtrans-64.4-13.4174.8-80.8-178.9-70.9177.9-6.1114.9Q1612 V1614 R1623Q1612-R1616 WeakPolarHBondContact O-CB 3.15Å; Q1612-R1616 VanDerWaalsContact O-CG 3.31Å; Q1612-R1616 WeakPolarHBondContact O-CG 3.19Å; Q1612-R1616 PolarHBondContact O-N 3.42Å; Q1612-R1616 PolarHBondContact O-NE 2.9Å; Q1612-R1616 PolarHBondContact O-NH2 2.98Å; V1614-R1616 VanDerWaalsContact C-N 3.33Å; V1614-R1616 PolarHBondContact O-N 3.39Å; R1616-R1623 PolarHBondContact O-NE 2.9Å; R1616-R1623 PolarHBondContact O-NH2 3.24Å
1617L55.1Low56Low123 Ų123113.7 Ų113.764%0.64452%0.523SS*.Hα-helixtrans-93.1-23.1173.4-88.9161.8000112.7R1613 V1614 E1615R1613-L1617 WeakPolarHBondContact O-CG 3.35Å; R1613-L1617 PolarHBondContact O-N 2.85Å; V1614-L1617 WeakPolarHBondContact O-CA 3.47Å; V1614-L1617 WeakPolarHBondContact O-CB 3.34Å; V1614-L1617 PolarHBondContact O-N 2.76Å; E1615-L1617 PolarHBondContact O-N 2.73Å; E1615-L1617 VanDerWaalsContact O-N 3.13Å
1618L53.3Low55.5Low132 Ų132118.3 Ų118.369%0.69154%0.54SS*.Hα-helixtrans-97-38.9-179.2-68.8164.1000112.6V1614 E1615 C1620V1614-L1618 HydrophobicContact CG1-CD1 3.86Å; V1614-L1618 PolarHBondContact O-N 2.81Å; E1615-L1618 PolarHBondContact O-N 3.37Å; E1615-L1618 VanDerWaalsContact O-N 3.07Å; L1618-C1620 PolarHBondContact O-N 2.69Å
1619D50.6Low54.8Low86 Ų86118.6 Ų118.646%0.4655%0.55SS.*  trans-82.882.1-179.7-86.8-34.8000113E1615 T1621 R1623E1615-D1619 PolarHBondContact O-N 3.05Å; D1619-T1621 PolarHBondContact O-N 3.46Å; D1619-R1623 PolarHBondContact O-N 2.94Å
1620C47.3Very low54.1Low98 Ų98114 Ų11466%0.66254%0.543SS*.Hα-helixtrans-62.1-23.5174-740000114.2L1618L1618-C1620 PolarHBondContact O-N 2.69Å
1621T53.2Low53.3Low112 Ų112117.4 Ų117.469%0.68756%0.557SS**Hα-helixtrans-74.1-52178.444.50000111.8D1619 R1623 R1624D1619-T1621 PolarHBondContact O-N 3.46Å; T1621-R1623 VanDerWaalsContact C-N 3.26Å; T1621-R1623 PolarHBondContact O-N 3.47Å; T1621-R1624 PolarHBondContact O-N 3.5Å
1622Y53Low52.8Low133 Ų133117.3 Ų117.352%0.52257%0.568SS.*Hα-helixtrans-60.7-35.3-179.1-171.6-117.1000112.5R1624 E1625 L1626Y1622-R1624 VanDerWaalsContact C-N 3.3Å; Y1622-R1624 PolarHBondContact O-N 3.11Å; Y1622-E1625 PolarHBondContact O-N 2.89Å; Y1622-L1626 HydrophobicContact CE1-CD1 4.09Å; Y1622-L1626 HydrophobicContact CE1-CD2 3.81Å; Y1622-L1626 HydrophobicContact CE1-CG 4.43Å; Y1622-L1626 HydrophobicContact CE2-CD1 4.28Å; Y1622-L1626 PolarHBondContact O-N 3.27Å
1623R45.6Very low52.1Low114 Ų114120.6 Ų120.643%0.4358%0.581SS.*Hα-helixtrans-57.2-37.5178.9-171.1-179.6-72.9-147.25.2113.1R1616 D1619 T1621 E1625 L1626 D1627R1616-R1623 PolarHBondContact O-NE 2.9Å; R1616-R1623 PolarHBondContact O-NH2 3.24Å; D1619-R1623 PolarHBondContact O-N 2.94Å; T1621-R1623 VanDerWaalsContact C-N 3.26Å; T1621-R1623 PolarHBondContact O-N 3.47Å; R1623-E1625 PolarHBondContact O-N 3.33Å; R1623-L1626 PolarHBondContact O-N 3.36Å; R1623-D1627 VanDerWaalsContact CG-OD2 3.25Å; R1623-D1627 WeakPolarHBondContact CG-OD2 2.9Å; R1623-D1627 WeakPolarHBondContact O-CB 3.17Å; R1623-D1627 PolarHBondContact O-N 3.33Å
1624R49Very low51.5Low208 Ų208119.7 Ų119.779%0.78559%0.587SS**Hα-helixtrans-69.8-26.4-176.4-85.1-175.5170.7171.3-1.4114.9T1621 Y1622T1621-R1624 PolarHBondContact O-N 3.5Å; Y1622-R1624 VanDerWaalsContact C-N 3.3Å; Y1622-R1624 PolarHBondContact O-N 3.11Å
1625E54.9Low50.8Low146 Ų146122.9 Ų122.968%0.68261%0.607SS**Hα-helixtrans-87.2-39172.6-65.9-160.8136.500111.6Y1622 R1623 K1628 L1629Y1622-E1625 PolarHBondContact O-N 2.89Å; R1623-E1625 PolarHBondContact O-N 3.33Å; E1625-K1628 PolarHBondContact O-N 3.04Å; E1625-L1629 PolarHBondContact O-N 3.29Å
1626L52.9Low50.1Low74 Ų74124.6 Ų124.639%0.38762%0.618SS.*Hα-helixtrans-68.7-37.1-178.8-135.274.7000112.9Y1622 R1623 L1629 G1630Y1622-L1626 HydrophobicContact CE1-CD1 4.09Å; Y1622-L1626 HydrophobicContact CE1-CD2 3.81Å; Y1622-L1626 HydrophobicContact CE1-CG 4.43Å; Y1622-L1626 HydrophobicContact CE2-CD1 4.28Å; Y1622-L1626 PolarHBondContact O-N 3.27Å; R1623-L1626 PolarHBondContact O-N 3.36Å; L1626-L1629 CarbonylContact O-C 3.59Å; L1626-L1629 PolarHBondContact O-N 2.97Å; L1626-G1630 PolarHBondContact O-N 3.01Å
1627D50.8Low50Low84 Ų84122.8 Ų122.845%0.44962%0.617SS.*Hα-helixtrans-67.9-34.7176.5-74.2-19.5000111.9R1623 L1629 G1630 Q1631R1623-D1627 VanDerWaalsContact CG-OD2 3.25Å; R1623-D1627 WeakPolarHBondContact CG-OD2 2.9Å; R1623-D1627 WeakPolarHBondContact O-CB 3.17Å; R1623-D1627 PolarHBondContact O-N 3.33Å; D1627-L1629 VanDerWaalsContact C-N 3.27Å; D1627-L1629 PolarHBondContact O-N 2.75Å; D1627-G1630 PolarHBondContact O-N 3.41Å; D1627-Q1631 WeakPolarHBondContact O-CG 3.14Å; D1627-Q1631 PolarHBondContact O-N 2.78Å
1628K51.7Low49.6Very low173 Ų173126.1 Ų126.175%0.75263%0.63SS**Hα-helixtrans-62.4-31.2172.8-81.5-176.8172.8-1760113.2E1625E1625-K1628 PolarHBondContact O-N 3.04Å
1629L50.5Low49.3Very low136 Ų136124 Ų12471%0.71263%0.625SS**Hα-helixtrans-89.7-22174.1-80.6158.4000113E1625 L1626 D1627E1625-L1629 PolarHBondContact O-N 3.29Å; L1626-L1629 CarbonylContact O-C 3.59Å; L1626-L1629 PolarHBondContact O-N 2.97Å; D1627-L1629 VanDerWaalsContact C-N 3.27Å; D1627-L1629 PolarHBondContact O-N 2.75Å
1630G50.7Low49.2Very low32 Ų32124.7 Ų124.733%0.3363%0.628SS.*Hα-helixtrans-83.1-36.1-176.600000114.5L1626 D1627 L1632 K1633L1626-G1630 PolarHBondContact O-N 3.01Å; D1627-G1630 PolarHBondContact O-N 3.41Å; G1630-L1632 PolarHBondContact O-N 2.76Å; G1630-L1632 VanDerWaalsContact O-N 3.11Å; G1630-K1633 PolarHBondContact O-N 3.27Å
1631Q46.5Very low49.1Very low155 Ų155128.9 Ų128.972%0.72464%0.635SS**G310 helixtrans-61.2-24.1-174.3-77.9178.2-700114.1D1627 K1633D1627-Q1631 WeakPolarHBondContact O-CG 3.14Å; D1627-Q1631 PolarHBondContact O-N 2.78Å; Q1631-K1633 VanDerWaalsContact C-N 3.32Å; Q1631-K1633 PolarHBondContact O-N 3.42Å
1632L49.6Very low48.6Very low160 Ų160132.6 Ų132.684%0.83864%0.642SS**G310 helixtrans-75.6-9.5175.8-79.1165.2000115G1630G1630-L1632 PolarHBondContact O-N 2.76Å; G1630-L1632 VanDerWaalsContact O-N 3.11Å
1633K47Very low48.2Very low133 Ų133130.7 Ų130.758%0.57865%0.648SS**G310 helixtrans-96.7-17.3-175-82.9-178.3173.4174.30115.9G1630 Q1631 V1635 I1637G1630-K1633 PolarHBondContact O-N 3.27Å; Q1631-K1633 VanDerWaalsContact C-N 3.32Å; Q1631-K1633 PolarHBondContact O-N 3.42Å; K1633-V1635 PolarHBondContact O-N 2.76Å; K1633-I1637 WeakPolarHBondContact O-CD1 3.37Å; K1633-I1637 WeakPolarHBondContact O-CG1 3.35Å
1634L47.5Very low48.3Very low140 Ų140130.4 Ų130.473%0.73366%0.662SS**THydrogen-bonded Turntrans-81.1-10-164.2-105.4156.3000115.9
1635V47Very low48.5Very low137 Ų137122.3 Ų122.383%0.8364%0.636SS**THydrogen-bonded Turntrans-93.5-21.2-172.8-175.80000113.8K1633K1633-V1635 PolarHBondContact O-N 2.76Å
1636N45.7Very low48.5Very low114 Ų114119.9 Ų119.961%0.6163%0.628SS**SBendtrans-105.18.8-172.5-99.8-16.3000115.3S1639N1636-S1639 PolarHBondContact O-OG 3.13Å
1637I48.8Very low48.7Very low88 Ų88123.9 Ų123.945%0.45166%0.655SS.*Hα-helixtrans-77.1-27.9-166.6-65.3175.8000113.4K1633 F1641K1633-I1637 WeakPolarHBondContact O-CD1 3.37Å; K1633-I1637 WeakPolarHBondContact O-CG1 3.35Å; I1637-F1641 HydrophobicContact CG2-CE2 4.38Å
1638Q46.3Very low49.4Very low194 Ų194121 Ų12191%0.90765%0.646SS**Hα-helixtrans-79.7-16.8-176-78.9-178.7-41.200115.2
1639S46.5Very low50.6Low86 Ų86114 Ų11460%0.60162%0.616SS**Hα-helixtrans-90.2-25.7-178.951.80000114.1N1636N1636-S1639 PolarHBondContact O-OG 3.13Å
1640I48.1Very low52.1Low101 Ų101107.5 Ų107.552%0.51858%0.582SS.*Hα-helixtrans-80.5-20.5-173.4-61.2173000112.4K1642 S1643I1640-K1642 PolarHBondContact O-N 3.38Å; I1640-S1643 PolarHBondContact O-N 2.66Å; I1640-S1643 PolarHBondContact O-OG 2.77Å
1641F46Very low53.8Low186 Ų186106 Ų10682%0.81657%0.566SS**THydrogen-bonded Turntrans-66.313.3-175-104.8-84.1000116.5I1637I1637-F1641 HydrophobicContact CG2-CE2 4.38Å
1642K41.8Very low55.7Low190 Ų190101.7 Ų101.783%0.82654%0.544SS*.THydrogen-bonded Turntrans-131.8-6.8-176.4-150.4175.3-176.9-178.90114.9I1640 C1644I1640-K1642 PolarHBondContact O-N 3.38Å; K1642-C1644 PolarHBondContact O-N 3.03Å
1643S45.4Very low57.5Low94 Ų9494.2 Ų94.266%0.65750%0.504SS*.  trans-76.3108.317353.70000110.1I1640I1640-S1643 PolarHBondContact O-N 2.66Å; I1640-S1643 PolarHBondContact O-OG 2.77Å
1644C46.6Very low59.3Low107 Ų10790.7 Ų90.772%0.72349%0.49SS*.PPolyproline II helixtrans-61.4162.9166.5-65.50000110.4K1642 D1646K1642-C1644 PolarHBondContact O-N 3.03Å; C1644-D1646 PolarHBondContact O-N 2.85Å
1645V55.2Low61Low38 Ų3887.5 Ų87.523%0.2347%0.474CS..PPolyproline II helixtrans-55.3124.3160.5177.20000107.6E1649V1645-E1649 HydrophobicContact CG1-CB 3.56Å; V1645-E1649 VanDerWaalsContact CG1-O 3.27Å; V1645-E1649 WeakPolarHBondContact CG1-O 3.03Å
1646D54.3Low62.8Low96 Ų9681 Ų8151%0.51343%0.434SS..PPolyproline II helixtrans-57.5140.2-175.4-74.2-63.7000110.4C1644 G1648 E1649 R1652C1644-D1646 PolarHBondContact O-N 2.85Å; D1646-G1648 PolarHBondContact O-N 3.22Å; D1646-E1649 HydrophobicContact CB-CG 4.4Å; D1646-E1649 PolarHBondContact O-N 2.85Å; D1646-R1652 IonicContact OD2-CZ 3.04Å; D1646-R1652 IonicContact OD2-NH1 3.21Å; D1646-R1652 PolarHBondContact OD2-NH1 2.94Å
1647T56.2Low64.8Low157 Ų15779.1 Ų79.196%0.96342%0.419SS*.THydrogen-bonded Turntrans-64.986.5-163.453.10000113.3
1648G66.9Low66.5Low25 Ų2575.5 Ų75.526%0.25840%0.4SS..THydrogen-bonded Turntrans143.6-23.4-174.300000113.8D1646 Q1675 R1676D1646-G1648 PolarHBondContact O-N 3.22Å; G1648-Q1675 WeakPolarHBondContact O-CA 3.44Å; G1648-R1676 PolarHBondContact O-N 2.79Å
1649E76.2Confident68.1Low24 Ų2467.7 Ų67.711%0.11237%0.369CS..EExtended strand (participates in β ladder)trans-74.2147172.2-61.4-165.1140.400111.3V1645 D1646 R1652 S1673V1645-E1649 HydrophobicContact CG1-CB 3.56Å; V1645-E1649 VanDerWaalsContact CG1-O 3.27Å; V1645-E1649 WeakPolarHBondContact CG1-O 3.03Å; D1646-E1649 HydrophobicContact CB-CG 4.4Å; D1646-E1649 PolarHBondContact O-N 2.85Å; E1649-R1652 WeakPolarHBondContact OE2-CD 3.41Å; E1649-R1652 IonicContact OE2-NH1 3.25Å; E1649-R1652 PolarHBondContact OE2-NH1 3.42Å; E1649-R1652 VanDerWaalsContact OE2-NH1 3.12Å; E1649-S1673 WeakPolarHBondContact OE1-CB 3.09Å; E1649-S1673 PolarHBondContact OE1-OG 3.31Å
1650A81.6Confident69.5Low0 Ų068.9 Ų68.90%036%0.361CS..EExtended strand (participates in β ladder)trans-120-31.1179.900000112.8V1674 R1676 E1711 T1790 A1821A1650-V1674 PolarHBondContact N-O 2.79Å; A1650-R1676 HydrophobicContact CB-CG 4.19Å; A1650-E1711 PolarHBondContact O-N 3.31Å; A1650-E1711 VanDerWaalsContact O-N 3.13Å; A1650-T1790 HydrophobicContact CB-CG2 3.88Å; A1650-A1821 HydrophobicContact CB-CB 3.59Å
1651V86Confident70.2Confident0 Ų076.2 Ų76.20%038%0.382CS..EExtended strand (participates in β ladder)trans-135.4138.2173.6-173.10000108.4S1673 V1674 L1697 F1710 T1790V1651-S1673 CarbonylContact O-C 3.5Å; V1651-S1673 WeakPolarHBondContact O-CA 3.4Å; V1651-S1673 WeakPolarHBondContact O-CB 3.27Å; V1651-V1674 HydrophobicContact CB-CB 4.34Å; V1651-V1674 HydrophobicContact CB-CG2 4.49Å; V1651-V1674 PolarHBondContact N-O 3.15Å; V1651-V1674 PolarHBondContact O-N 3.42Å; V1651-L1697 HydrophobicContact CG1-CD2 4.02Å; V1651-F1710 HydrophobicContact CB-CD1 4.45Å; V1651-F1710 HydrophobicContact CB-CE1 4.43Å; V1651-F1710 HydrophobicContact CG1-CD1 4.18Å; V1651-F1710 HydrophobicContact CG1-CE1 3.8Å; V1651-F1710 HydrophobicContact CG1-CZ 4.43Å; V1651-F1710 HydrophobicContact CG2-CD1 3.91Å; V1651-F1710 HydrophobicContact CG2-CE1 3.91Å; V1651-T1790 HydrophobicContact CG2-CG2 3.5Å; V1651-T1790 VanDerWaalsContact CG2-CG2 3.5Å
1652R87.7Confident70.8Confident66 Ų6678 Ų7825%0.24938%0.384CS..EExtended strand (participates in β ladder)trans-141.1119.9173.4-178.4178.5-178.7144.2-17.8110.4D1646 E1649 E1654 I1708 Y1709D1646-R1652 IonicContact OD2-CZ 3.04Å; D1646-R1652 IonicContact OD2-NH1 3.21Å; D1646-R1652 PolarHBondContact OD2-NH1 2.94Å; E1649-R1652 WeakPolarHBondContact OE2-CD 3.41Å; E1649-R1652 IonicContact OE2-NH1 3.25Å; E1649-R1652 PolarHBondContact OE2-NH1 3.42Å; E1649-R1652 VanDerWaalsContact OE2-NH1 3.12Å; R1652-E1654 HydrophobicContact CG-CG 4.26Å; R1652-E1654 IonicContact CZ-OE1 3.13Å; R1652-E1654 IonicContact NE-OE1 3.91Å; R1652-E1654 PolarHBondContact NE-OE1 3.03Å; R1652-E1654 IonicContact NH2-OE1 3.8Å; R1652-E1654 PolarHBondContact NH2-OE1 3.36Å; R1652-I1708 CarbonylContact O-C 3.57Å; R1652-I1708 WeakPolarHBondContact O-CA 3.24Å; R1652-Y1709 HydrophobicContact CB-CD2 4.25Å; R1652-Y1709 HydrophobicContact CG-CD2 4.2Å; R1652-Y1709 PolarHBondContact N-O 3.29Å; R1652-Y1709 PolarHBondContact O-N 3.4Å
1653A86.8Confident71.6Confident2 Ų271.6 Ų71.62%0.01737%0.371CS..EExtended strand (participates in β ladder)trans-113.7124179.700000109.8L1656 N1671 F1672A1653-L1656 HydrophobicContact CB-CD1 3.81Å; A1653-L1656 HydrophobicContact CB-CG 4.27Å; A1653-N1671 WeakPolarHBondContact O-CA 3.4Å; A1653-F1672 HydrophobicContact CB-CD1 3.99Å; A1653-F1672 HydrophobicContact CB-CE1 3.75Å; A1653-F1672 HydrophobicContact CB-CG 4.49Å; A1653-F1672 HydrophobicContact CB-CZ 4.06Å; A1653-F1672 PolarHBondContact N-O 3.37Å; A1653-F1672 PolarHBondContact O-N 3.48Å
1654E84.1Confident72.6Confident59 Ų5974.4 Ų74.428%0.27637%0.374SS..EExtended strand (participates in β ladder)trans-124124.4-174.5-68.3-174.8165.200112R1652 L1656 G1706 Q1707 Y1709R1652-E1654 HydrophobicContact CG-CG 4.26Å; R1652-E1654 IonicContact CZ-OE1 3.13Å; R1652-E1654 IonicContact NE-OE1 3.91Å; R1652-E1654 PolarHBondContact NE-OE1 3.03Å; R1652-E1654 IonicContact NH2-OE1 3.8Å; R1652-E1654 PolarHBondContact NH2-OE1 3.36Å; E1654-L1656 PolarHBondContact O-N 3.32Å; E1654-G1706 CarbonylContact O-C 3.48Å; E1654-G1706 WeakPolarHBondContact O-CA 3.48Å; E1654-Q1707 PolarHBondContact N-O 2.91Å; E1654-Q1707 PolarHBondContact O-N 3.45Å; E1654-Y1709 HydrophobicContact CG-CE2 4.21Å; E1654-Y1709 WeakPolarHBondContact OE2-CE2 3.37Å
1655N84Confident74Confident73 Ų7374.3 Ų74.339%0.3936%0.359SS..EExtended strand (participates in β ladder)trans49.749172.7-58.4-45000113.1W1657 N1671 V1705 G1706N1655-W1657 VanDerWaalsContact O-CD1 3.25Å; N1655-N1671 WeakPolarHBondContact CA-OD1 3.23Å; N1655-N1671 PolarHBondContact N-OD1 3.04Å; N1655-N1671 PolarHBondContact OD1-ND2 2.73Å; N1655-N1671 PolarHBondContact OD1-OD1 3.16Å; N1655-V1705 CarbonylContact O-C 3.56Å; N1655-G1706 WeakPolarHBondContact O-CA 3.24Å; N1655-G1706 PolarHBondContact O-N 3.13Å
1656L84.9Confident75.2Confident0 Ų073.3 Ų73.30%036%0.355CS..EExtended strand (participates in β ladder)trans-75.1125.7-177.2-63.1-175.8000112.8A1653 E1654 V1667 R1668 N1669 V1670 P1703 V1705 I1708A1653-L1656 HydrophobicContact CB-CD1 3.81Å; A1653-L1656 HydrophobicContact CB-CG 4.27Å; E1654-L1656 PolarHBondContact O-N 3.32Å; L1656-V1667 HydrophobicContact CB-CG1 4.17Å; L1656-R1668 CarbonylContact O-C 3.49Å; L1656-N1669 WeakPolarHBondContact O-CA 3.5Å; L1656-N1669 PolarHBondContact O-N 2.76Å; L1656-V1670 HydrophobicContact CB-CB 4.28Å; L1656-V1670 WeakPolarHBondContact CB-O 3.48Å; L1656-V1670 PolarHBondContact N-O 3.07Å; L1656-V1670 VanDerWaalsContact N-O 3.13Å; L1656-V1670 PolarHBondContact O-N 3.02Å; L1656-P1703 HydrophobicContact CD2-CB 4.08Å; L1656-P1703 HydrophobicContact CD2-CG 4.29Å; L1656-V1705 CarbonylContact C-O 3.57Å; L1656-V1705 WeakPolarHBondContact CA-O 3.46Å; L1656-I1708 HydrophobicContact CD1-CD1 4.16Å; L1656-I1708 HydrophobicContact CD1-CG1 4.13Å; L1656-I1708 HydrophobicContact CD2-CD1 4.2Å; L1656-I1708 HydrophobicContact CD2-CG1 3.73Å
1657W86.4Confident76.7Confident76 Ų7668.8 Ų68.829%0.28833%0.331SS..EExtended strand (participates in β ladder)trans-128.6144.6169.1-60.668.3000110.4N1655 Y1665 V1667 R1668 N1669 D1704 V1705N1655-W1657 VanDerWaalsContact O-CD1 3.25Å; W1657-Y1665 AromaticContact CE3-CD1 3.87Å; W1657-Y1665 HydrophobicContact CE3-CD1 3.87Å; W1657-Y1665 AromaticContact CE3-CE1 3.74Å; W1657-Y1665 HydrophobicContact CE3-CE1 3.74Å; W1657-Y1665 HydrophobicContact CZ3-CE1 4.34Å; W1657-V1667 WeakPolarHBondContact CA-O 3.46Å; W1657-R1668 HydrophobicContact CE3-CB 4.03Å; W1657-R1668 HydrophobicContact CE3-CG 3.99Å; W1657-R1668 HydrophobicContact CZ3-CB 4.08Å; W1657-R1668 HydrophobicContact CZ3-CG 3.99Å; W1657-N1669 HydrophobicContact CZ2-CB 3.72Å; W1657-N1669 PolarHBondContact NE1-OD1 2.91Å; W1657-N1669 VanDerWaalsContact NE1-OD1 3.14Å; W1657-D1704 PolarHBondContact O-N 3.31Å; W1657-V1705 HydrophobicContact CB-CB 4.05Å; W1657-V1705 HydrophobicContact CG-CB 4.17Å; W1657-V1705 PolarHBondContact N-O 2.84Å
1658L85.2Confident78.1Confident11 Ų1165.7 Ų65.76%0.05830%0.301CS..EExtended strand (participates in β ladder)trans-153130.4170.4-173.870.6000111.5Y1665 A1666 V1667 T1692 L1696 L1701 Q1702 D1704L1658-Y1665 CarbonylContact O-C 3.59Å; L1658-Y1665 WeakPolarHBondContact O-CA 3.28Å; L1658-A1666 PolarHBondContact O-N 3.09Å; L1658-V1667 HydrophobicContact CB-CB 4.28Å; L1658-V1667 HydrophobicContact CB-CG2 4.38Å; L1658-V1667 PolarHBondContact N-O 2.8Å; L1658-V1667 PolarHBondContact O-N 2.83Å; L1658-T1692 HydrophobicContact CD2-CG2 3.56Å; L1658-L1696 HydrophobicContact CB-CD1 4.42Å; L1658-L1696 HydrophobicContact CD2-CD2 4.21Å; L1658-L1696 HydrophobicContact CD2-CG 4.47Å; L1658-L1701 HydrophobicContact CD2-CB 4.36Å; L1658-L1701 HydrophobicContact CD2-CD1 3.83Å; L1658-Q1702 WeakPolarHBondContact CD1-O 3.25Å; L1658-D1704 VanDerWaalsContact CA-OD2 3.31Å; L1658-D1704 WeakPolarHBondContact CA-OD2 3.32Å
1659A81.2Confident79Confident31 Ų3168.1 Ų68.126%0.25631%0.308SS..EExtended strand (participates in β ladder)trans-114.3141.7169.200000112.3Y1665 D1704A1659-Y1665 HydrophobicContact CB-CD1 3.98Å; A1659-Y1665 HydrophobicContact CB-CE1 4.2Å; A1659-Y1665 HydrophobicContact CB-CG 4.23Å; A1659-D1704 PolarHBondContact N-OD2 2.66Å
1660Y75.4Confident79.4Confident110 Ų11067 Ų6743%0.43130%0.303SS..  trans-84.3166.8167.2-70.3-77.6000110.3R1662 G1663 H1664 A1666 T1692Y1660-R1662 PolarHBondContact O-N 3.48Å; Y1660-G1663 PolarHBondContact O-N 2.85Å; Y1660-G1663 VanDerWaalsContact O-N 3.13Å; Y1660-H1664 PolarHBondContact N-O 3.34Å; Y1660-A1666 HydrophobicContact CD2-CB 3.77Å; Y1660-A1666 HydrophobicContact CE2-CB 3.5Å; Y1660-A1666 VanDerWaalsContact CE2-CB 3.5Å; Y1660-T1692 HydrophobicContact CE2-CG2 4.34Å; Y1660-T1692 PolarHBondContact OH-OG1 2.69Å
1661R62.3Low79.7Confident255 Ų25570.7 Ų70.796%0.96232%0.323SS*.THydrogen-bonded Turntrans-52.15.7-176.9-85.6-175.4170.6174.3-4.5117.9
1662R58.4Low79.9Confident224 Ų22471.6 Ų71.685%0.84533%0.327SS*.THydrogen-bonded Turntrans-126.329.5177.1-66.7-174.1173.8-178.1-3.1112.9Y1660 H1664Y1660-R1662 PolarHBondContact O-N 3.48Å; R1662-H1664 PolarHBondContact O-CD2 3.01Å; R1662-H1664 VanDerWaalsContact O-CD2 3.28Å; R1662-H1664 PolarHBondContact O-N 3.3Å
1663G58.2Low79.9Confident55 Ų5569.7 Ų69.757%0.56732%0.324SS*.SBendtrans71.6-22.1172.700000116.5Y1660 Y1665Y1660-G1663 PolarHBondContact O-N 2.85Å; Y1660-G1663 VanDerWaalsContact O-N 3.13Å; G1663-Y1665 PolarHBondContact O-N 3.15Å; G1663-Y1665 VanDerWaalsContact O-N 3.08Å
1664H67.1Low80Confident153 Ų15369.6 Ų69.671%0.70832%0.323SS*.  trans-67109.3173.7-61.1-75.4000110.8Y1660 R1662 A1666Y1660-H1664 PolarHBondContact N-O 3.34Å; R1662-H1664 PolarHBondContact O-CD2 3.01Å; R1662-H1664 VanDerWaalsContact O-CD2 3.28Å; R1662-H1664 PolarHBondContact O-N 3.3Å; H1664-A1666 PolarHBondContact O-N 2.91Å
1665Y76Confident80.1Confident105 Ų10572 Ų7241%0.41233%0.334SS..EExtended strand (participates in β ladder)trans-61125.9167.1-67-93.1000110.3W1657 L1658 A1659 G1663 R1668W1657-Y1665 AromaticContact CE3-CD1 3.87Å; W1657-Y1665 HydrophobicContact CE3-CD1 3.87Å; W1657-Y1665 AromaticContact CE3-CE1 3.74Å; W1657-Y1665 HydrophobicContact CE3-CE1 3.74Å; W1657-Y1665 HydrophobicContact CZ3-CE1 4.34Å; L1658-Y1665 CarbonylContact O-C 3.59Å; L1658-Y1665 WeakPolarHBondContact O-CA 3.28Å; A1659-Y1665 HydrophobicContact CB-CD1 3.98Å; A1659-Y1665 HydrophobicContact CB-CE1 4.2Å; A1659-Y1665 HydrophobicContact CB-CG 4.23Å; G1663-Y1665 PolarHBondContact O-N 3.15Å; G1663-Y1665 VanDerWaalsContact O-N 3.08Å; Y1665-R1668 HydrophobicContact CD1-CG 4.26Å; Y1665-R1668 HydrophobicContact CG-CG 3.95Å
1666A81Confident80.2Confident18 Ų1874.3 Ų74.315%0.14934%0.337CS..EExtended strand (participates in β ladder)trans-94.6-15.9172.200000112.6L1658 Y1660 H1664 T1692 G1845L1658-A1666 PolarHBondContact O-N 3.09Å; Y1660-A1666 HydrophobicContact CD2-CB 3.77Å; Y1660-A1666 HydrophobicContact CE2-CB 3.5Å; Y1660-A1666 VanDerWaalsContact CE2-CB 3.5Å; H1664-A1666 PolarHBondContact O-N 2.91Å; A1666-T1692 HydrophobicContact CB-CG2 4.09Å; A1666-G1845 WeakPolarHBondContact O-CA 3.42Å
1667V85.5Confident80.2Confident0 Ų075.5 Ų75.50%035%0.349CS..EExtended strand (participates in β ladder)trans-141.4136.1172.3-168.90000107.8L1656 W1657 L1658 V1670 T1692 I1693 L1696 G1845L1656-V1667 HydrophobicContact CB-CG1 4.17Å; W1657-V1667 WeakPolarHBondContact CA-O 3.46Å; L1658-V1667 HydrophobicContact CB-CB 4.28Å; L1658-V1667 HydrophobicContact CB-CG2 4.38Å; L1658-V1667 PolarHBondContact N-O 2.8Å; L1658-V1667 PolarHBondContact O-N 2.83Å; V1667-V1670 HydrophobicContact CG1-CB 3.84Å; V1667-V1670 HydrophobicContact CG1-CG2 3.57Å; V1667-T1692 HydrophobicContact CG2-CG2 3.78Å; V1667-I1693 HydrophobicContact CG1-CG1 4.18Å; V1667-I1693 HydrophobicContact CG2-CG1 3.88Å; V1667-L1696 HydrophobicContact CG2-CD1 4.02Å; V1667-G1845 CarbonylContact C-O 3.56Å; V1667-G1845 WeakPolarHBondContact CA-O 3.3Å
1668R85.2Confident80.4Confident93 Ų9373 Ų7335%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-139.4119.1178.9-68.4177.1169.1162.7-2.8109.4L1656 W1657 Y1665 V1670 G1845 Q1846L1656-R1668 CarbonylContact O-C 3.49Å; W1657-R1668 HydrophobicContact CE3-CB 4.03Å; W1657-R1668 HydrophobicContact CE3-CG 3.99Å; W1657-R1668 HydrophobicContact CZ3-CB 4.08Å; W1657-R1668 HydrophobicContact CZ3-CG 3.99Å; Y1665-R1668 HydrophobicContact CD1-CG 4.26Å; Y1665-R1668 HydrophobicContact CG-CG 3.95Å; R1668-V1670 VanDerWaalsContact C-N 3.29Å; R1668-V1670 PolarHBondContact O-N 3.12Å; R1668-G1845 PolarHBondContact N-O 3.21Å; R1668-Q1846 HydrophobicContact CB-CG 3.74Å; R1668-Q1846 WeakPolarHBondContact O-CG 3.24Å
1669N85.7Confident80.7Confident75 Ų7572.4 Ų72.440%0.40134%0.338SS..EExtended strand (participates in β ladder)trans44.545.1175.3-147.563.6000115.7L1656 W1657L1656-N1669 WeakPolarHBondContact O-CA 3.5Å; L1656-N1669 PolarHBondContact O-N 2.76Å; W1657-N1669 HydrophobicContact CZ2-CB 3.72Å; W1657-N1669 PolarHBondContact NE1-OD1 2.91Å; W1657-N1669 VanDerWaalsContact NE1-OD1 3.14Å
1670V85.4Confident81.3Confident0 Ų071 Ų710%033%0.326CS..EExtended strand (participates in β ladder)trans-83.9121.1180170.40000110.6L1656 V1667 R1668 F1672 I1693 L1842 G1845 V1847L1656-V1670 HydrophobicContact CB-CB 4.28Å; L1656-V1670 WeakPolarHBondContact CB-O 3.48Å; L1656-V1670 PolarHBondContact N-O 3.07Å; L1656-V1670 VanDerWaalsContact N-O 3.13Å; L1656-V1670 PolarHBondContact O-N 3.02Å; V1667-V1670 HydrophobicContact CG1-CB 3.84Å; V1667-V1670 HydrophobicContact CG1-CG2 3.57Å; R1668-V1670 VanDerWaalsContact C-N 3.29Å; R1668-V1670 PolarHBondContact O-N 3.12Å; V1670-F1672 HydrophobicContact CG1-CD1 3.79Å; V1670-F1672 HydrophobicContact CG1-CE1 3.94Å; V1670-I1693 HydrophobicContact CG1-CD1 4.18Å; V1670-I1693 HydrophobicContact CG2-CD1 4.39Å; V1670-L1842 HydrophobicContact CG2-CD1 4.16Å; V1670-G1845 WeakPolarHBondContact CG2-O 3.29Å; V1670-V1847 HydrophobicContact CG1-CG2 4.06Å; V1670-V1847 HydrophobicContact CG2-CG2 4.33Å
1671N87.9Confident82Confident78 Ų7865.8 Ų65.842%0.41731%0.305SS..EExtended strand (participates in β ladder)trans-125.1126.5-178.8-61.78.1000108.9A1653 N1655A1653-N1671 WeakPolarHBondContact O-CA 3.4Å; N1655-N1671 WeakPolarHBondContact CA-OD1 3.23Å; N1655-N1671 PolarHBondContact N-OD1 3.04Å; N1655-N1671 PolarHBondContact OD1-ND2 2.73Å; N1655-N1671 PolarHBondContact OD1-OD1 3.16Å
1672F88.7Confident83.3Confident20 Ų2053.8 Ų53.89%0.08826%0.26CS..EExtended strand (participates in β ladder)trans-163.4153.6169.965.3-83.4000111.2A1653 V1670 V1674 F1680 I1693 L1697A1653-F1672 HydrophobicContact CB-CD1 3.99Å; A1653-F1672 HydrophobicContact CB-CE1 3.75Å; A1653-F1672 HydrophobicContact CB-CG 4.49Å; A1653-F1672 HydrophobicContact CB-CZ 4.06Å; A1653-F1672 PolarHBondContact N-O 3.37Å; A1653-F1672 PolarHBondContact O-N 3.48Å; V1670-F1672 HydrophobicContact CG1-CD1 3.79Å; V1670-F1672 HydrophobicContact CG1-CE1 3.94Å; F1672-V1674 HydrophobicContact CD2-CG2 3.93Å; F1672-V1674 HydrophobicContact CE2-CG2 4.12Å; F1672-F1680 HydrophobicContact CB-CE1 4.46Å; F1672-F1680 HydrophobicContact CB-CZ 3.86Å; F1672-F1680 HydrophobicContact CD2-CD1 4.25Å; F1672-F1680 AromaticContact CD2-CE1 3.61Å; F1672-F1680 HydrophobicContact CD2-CE1 3.61Å; F1672-F1680 AromaticContact CD2-CZ 3.84Å; F1672-F1680 HydrophobicContact CD2-CZ 3.84Å; F1672-F1680 HydrophobicContact CE2-CD1 4.42Å; F1672-F1680 AromaticContact CE2-CE1 3.99Å; F1672-F1680 HydrophobicContact CE2-CE1 3.99Å; F1672-F1680 HydrophobicContact CG-CE1 4.04Å; F1672-F1680 AromaticContact CG-CZ 3.94Å; F1672-F1680 HydrophobicContact CG-CZ 3.94Å; F1672-I1693 HydrophobicContact CE1-CG2 4.18Å; F1672-I1693 HydrophobicContact CZ-CG2 4.26Å; F1672-L1697 HydrophobicContact CZ-CD1 4.33Å; F1672-L1697 HydrophobicContact CZ-CD2 4.26Å
1673S88Confident84.6Confident26 Ų2643.2 Ų43.218%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-126.5158165.464.90000110.9E1649 V1651 R1838E1649-S1673 WeakPolarHBondContact OE1-CB 3.09Å; E1649-S1673 PolarHBondContact OE1-OG 3.31Å; V1651-S1673 CarbonylContact O-C 3.5Å; V1651-S1673 WeakPolarHBondContact O-CA 3.4Å; V1651-S1673 WeakPolarHBondContact O-CB 3.27Å; S1673-R1838 PolarHBondContact O-NH1 3.43Å; S1673-R1838 PolarHBondContact O-NH2 2.81Å
1674V88.9Confident85.7Confident0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-132.5132.3-177.3-173.50000109.3A1650 V1651 F1672 E1678 F1680 A1821 V1823A1650-V1674 PolarHBondContact N-O 2.79Å; V1651-V1674 HydrophobicContact CB-CB 4.34Å; V1651-V1674 HydrophobicContact CB-CG2 4.49Å; V1651-V1674 PolarHBondContact N-O 3.15Å; V1651-V1674 PolarHBondContact O-N 3.42Å; F1672-V1674 HydrophobicContact CD2-CG2 3.93Å; F1672-V1674 HydrophobicContact CE2-CG2 4.12Å; V1674-E1678 WeakPolarHBondContact CA-OE2 3.46Å; V1674-E1678 HydrophobicContact CG1-CB 4.25Å; V1674-F1680 HydrophobicContact CB-CB 4.43Å; V1674-F1680 HydrophobicContact CG1-CB 3.8Å; V1674-F1680 HydrophobicContact CG2-CB 3.75Å; V1674-F1680 HydrophobicContact CG2-CD1 3.96Å; V1674-F1680 HydrophobicContact CG2-CD2 4.25Å; V1674-F1680 HydrophobicContact CG2-CG 3.75Å; V1674-A1821 HydrophobicContact CG1-CB 4.04Å; V1674-V1823 HydrophobicContact CG2-CG2 4.2Å
1675Q87.7Confident86.1Confident108 Ų10837 Ų3751%0.50518%0.178SC..EExtended strand (participates in β ladder)trans-92.2159.9-176.1-64.1-167-5.400113.6G1648 G1677 E1678 A1821G1648-Q1675 WeakPolarHBondContact O-CA 3.44Å; Q1675-G1677 PolarHBondContact O-N 2.76Å; Q1675-E1678 HydrophobicContact CB-CB 4.33Å; Q1675-E1678 PolarHBondContact N-OE2 2.87Å; Q1675-E1678 VanDerWaalsContact O-CB 3.26Å; Q1675-E1678 WeakPolarHBondContact O-CB 3.5Å; Q1675-E1678 PolarHBondContact O-N 3.36Å; Q1675-E1678 VanDerWaalsContact O-N 3.12Å; Q1675-A1821 WeakPolarHBondContact O-CB 3.34Å
1676R84.8Confident85.9Confident123 Ų12335.6 Ų35.646%0.46418%0.177SC..THydrogen-bonded Turntrans-62.1121.4174-74.5171149.4-153.1-9.7111.1G1648 A1650 E1711 R1819G1648-R1676 PolarHBondContact O-N 2.79Å; A1650-R1676 HydrophobicContact CB-CG 4.19Å; R1676-E1711 VanDerWaalsContact CZ-CD 3.48Å; R1676-E1711 IonicContact CZ-OE1 4Å; R1676-E1711 IonicContact CZ-OE2 3.55Å; R1676-E1711 VanDerWaalsContact NE-CD 3.33Å; R1676-E1711 IonicContact NE-OE1 3.98Å; R1676-E1711 PolarHBondContact NE-OE1 3.02Å; R1676-E1711 VanDerWaalsContact NE-OE1 3.11Å; R1676-E1711 IonicContact NE-OE2 3.28Å; R1676-E1711 PolarHBondContact NE-OE2 3.36Å; R1676-E1711 IonicContact NH1-OE1 2.97Å; R1676-E1711 IonicContact NH2-OE1 2.69Å; R1676-E1711 PolarHBondContact NH2-OE1 3.24Å; R1676-E1711 IonicContact NH2-OE2 3.67Å; R1676-E1711 PolarHBondContact NH2-OE2 3.01Å; R1676-R1819 CarbonylContact C-O 3.57Å
1677G85.2Confident85.4Confident24 Ų2438.7 Ų38.725%0.24721%0.211CC..THydrogen-bonded Turntrans85.39.5-175.900000114.4Q1675 L1816 R1819 R1820Q1675-G1677 PolarHBondContact O-N 2.76Å; G1677-L1816 WeakPolarHBondContact O-CD2 3.34Å; G1677-R1819 PolarHBondContact N-O 3.1Å; G1677-R1819 VanDerWaalsContact N-O 3.17Å; G1677-R1820 VanDerWaalsContact CA-O 3.28Å; G1677-R1820 WeakPolarHBondContact CA-O 3.28Å; G1677-R1820 PolarHBondContact N-O 3.32Å
1678E89.7Confident85.1Confident23 Ų2339 Ų3911%0.10721%0.214CC..  trans-100.4136.5176.6-170.1-173.1-169.200111.8V1674 Q1675 L1816 A1821 V1822 Q1837 R1838V1674-E1678 WeakPolarHBondContact CA-OE2 3.46Å; V1674-E1678 HydrophobicContact CG1-CB 4.25Å; Q1675-E1678 HydrophobicContact CB-CB 4.33Å; Q1675-E1678 PolarHBondContact N-OE2 2.87Å; Q1675-E1678 VanDerWaalsContact O-CB 3.26Å; Q1675-E1678 WeakPolarHBondContact O-CB 3.5Å; Q1675-E1678 PolarHBondContact O-N 3.36Å; Q1675-E1678 VanDerWaalsContact O-N 3.12Å; E1678-L1816 VanDerWaalsContact C-CD2 3.43Å; E1678-A1821 WeakPolarHBondContact O-CA 3.44Å; E1678-V1822 PolarHBondContact O-N 2.89Å; E1678-Q1837 HydrophobicContact CG-CB 4.46Å; E1678-R1838 VanDerWaalsContact OE1-CB 3.26Å; E1678-R1838 WeakPolarHBondContact OE1-CB 3.48Å; E1678-R1838 IonicContact OE1-CZ 2.92Å; E1678-R1838 IonicContact OE1-NE 3.83Å; E1678-R1838 PolarHBondContact OE1-NE 2.98Å; E1678-R1838 IonicContact OE1-NH2 3.14Å; E1678-R1838 PolarHBondContact OE1-NH2 3.1Å; E1678-R1838 IonicContact OE2-CZ 3.8Å; E1678-R1838 IonicContact OE2-NH2 3.81Å; E1678-R1838 PolarHBondContact OE2-NH2 3.4Å
1679C92.1Very high84.9Confident0 Ų034.8 Ų34.80%020%0.199CC..EExtended strand (participates in β ladder)trans-98.5110.1163.9-172.30000109.8L1816 V1822 L1835 C1836 Q1837C1679-L1816 HydrophobicContact CB-CD1 3.92Å; C1679-L1816 HydrophobicContact CB-CD2 3.82Å; C1679-L1816 HydrophobicContact CB-CG 4.45Å; C1679-V1822 CarbonylContact C-O 3.5Å; C1679-V1822 WeakPolarHBondContact CA-O 3.32Å; C1679-V1822 HydrophobicContact CB-CB 4.22Å; C1679-L1835 WeakPolarHBondContact CB-O 3.37Å; C1679-C1836 CarbonylContact O-C 3.54Å; C1679-C1836 VanDerWaalsContact O-CA 3.27Å; C1679-C1836 WeakPolarHBondContact O-CA 3.45Å; C1679-C1836 WeakPolarHBondContact O-CB 3.48Å; C1679-Q1837 VanDerWaalsContact CB-OE1 3.3Å; C1679-Q1837 PolarHBondContact O-N 3.44Å; C1679-Q1837 VanDerWaalsContact O-N 3.09Å; C1679-Q1837 PolarHBondContact O-OE1 3.25Å
1680F93.2Very high84.8Confident1 Ų131.9 Ų31.90%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-100.7114.2-179.6-178.7-96.6000110.5F1672 V1674 V1822 V1823 L1824 R1838 A1840F1672-F1680 HydrophobicContact CB-CE1 4.46Å; F1672-F1680 HydrophobicContact CB-CZ 3.86Å; F1672-F1680 HydrophobicContact CD2-CD1 4.25Å; F1672-F1680 AromaticContact CD2-CE1 3.61Å; F1672-F1680 HydrophobicContact CD2-CE1 3.61Å; F1672-F1680 AromaticContact CD2-CZ 3.84Å; F1672-F1680 HydrophobicContact CD2-CZ 3.84Å; F1672-F1680 HydrophobicContact CE2-CD1 4.42Å; F1672-F1680 AromaticContact CE2-CE1 3.99Å; F1672-F1680 HydrophobicContact CE2-CE1 3.99Å; F1672-F1680 HydrophobicContact CG-CE1 4.04Å; F1672-F1680 AromaticContact CG-CZ 3.94Å; F1672-F1680 HydrophobicContact CG-CZ 3.94Å; V1674-F1680 HydrophobicContact CB-CB 4.43Å; V1674-F1680 HydrophobicContact CG1-CB 3.8Å; V1674-F1680 HydrophobicContact CG2-CB 3.75Å; V1674-F1680 HydrophobicContact CG2-CD1 3.96Å; V1674-F1680 HydrophobicContact CG2-CD2 4.25Å; V1674-F1680 HydrophobicContact CG2-CG 3.75Å; F1680-V1822 PolarHBondContact N-O 2.98Å; F1680-V1823 HydrophobicContact CD1-CG1 4.34Å; F1680-V1823 WeakPolarHBondContact O-CA 3.44Å; F1680-L1824 PolarHBondContact O-N 3.23Å; F1680-R1838 WeakPolarHBondContact CA-O 3.05Å; F1680-R1838 HydrophobicContact CD2-CB 4.27Å; F1680-R1838 HydrophobicContact CD2-CG 4.06Å; F1680-R1838 HydrophobicContact CE2-CG 4.14Å; F1680-A1840 HydrophobicContact CE1-CB 4.13Å; F1680-A1840 HydrophobicContact CE2-CB 4.19Å; F1680-A1840 HydrophobicContact CZ-CB 3.52Å
1681G90.9Very high84.7Confident0 Ų034.1 Ų34.10%020%0.198CC..EExtended strand (participates in β ladder)trans-88.1124.7-179.800000112.8L1824 C1836 R1838 V1839 A1840G1681-L1824 CarbonylContact C-O 3.57Å; G1681-L1824 WeakPolarHBondContact CA-O 3.33Å; G1681-C1836 VanDerWaalsContact CA-SG 3.59Å; G1681-R1838 PolarHBondContact N-O 3.42Å; G1681-V1839 CarbonylContact O-C 3.55Å; G1681-V1839 VanDerWaalsContact O-CA 3.31Å; G1681-V1839 WeakPolarHBondContact O-CA 3.38Å; G1681-A1840 PolarHBondContact O-N 3.45Å
1682L89.2Confident84.7Confident3 Ų331.2 Ų31.22%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-102103.1171.6-174.567.1000110.1K1690 I1693 F1694 L1824 T1825 A1840 L1842L1682-K1690 HydrophobicContact CD2-CB 4.46Å; L1682-K1690 HydrophobicContact CG-CG 4.41Å; L1682-K1690 VanDerWaalsContact O-CD 3.25Å; L1682-K1690 WeakPolarHBondContact O-CD 3.25Å; L1682-I1693 HydrophobicContact CD2-CB 4.2Å; L1682-I1693 HydrophobicContact CD2-CD1 4.1Å; L1682-I1693 HydrophobicContact CD2-CG2 4.21Å; L1682-F1694 HydrophobicContact CD2-CD2 4.32Å; L1682-F1694 HydrophobicContact CD2-CE2 4.08Å; L1682-L1824 PolarHBondContact N-O 3.08Å; L1682-T1825 HydrophobicContact CB-CG2 4.18Å; L1682-T1825 HydrophobicContact CD2-CG2 4.47Å; L1682-A1840 HydrophobicContact CD1-CB 4.31Å; L1682-L1842 HydrophobicContact CD1-CB 4.23Å; L1682-L1842 HydrophobicContact CD1-CD1 4.48Å
1683L86.6Confident84.7Confident2 Ų230.3 Ų30.31%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-107.9148.2-172.2-164.774.5000110.5V1829 I1832 V1839 A1840 L1842 F1941 F1945L1683-V1829 HydrophobicContact CD1-CG1 4.47Å; L1683-V1829 HydrophobicContact CD1-CG2 4.35Å; L1683-V1829 HydrophobicContact CD2-CG1 4.2Å; L1683-I1832 HydrophobicContact CD1-CD1 3.59Å; L1683-V1839 HydrophobicContact CB-CG1 3.84Å; L1683-V1839 HydrophobicContact CD2-CG1 4.21Å; L1683-A1840 PolarHBondContact N-O 3.06Å; L1683-L1842 WeakPolarHBondContact O-CB 3.44Å; L1683-L1842 PolarHBondContact O-N 3.26Å; L1683-F1941 HydrophobicContact CD2-CE1 3.97Å; L1683-F1941 HydrophobicContact CD2-CZ 4.31Å; L1683-F1945 HydrophobicContact CB-CE2 4.4Å; L1683-F1945 HydrophobicContact CD2-CB 3.98Å; L1683-F1945 HydrophobicContact CD2-CD1 4.11Å; L1683-F1945 HydrophobicContact CD2-CD2 3.33Å; L1683-F1945 HydrophobicContact CD2-CE1 4.4Å; L1683-F1945 HydrophobicContact CD2-CE2 3.68Å; L1683-F1945 HydrophobicContact CD2-CG 3.55Å; L1683-F1945 HydrophobicContact CD2-CZ 4.19Å; L1683-F1945 HydrophobicContact CG-CD1 4.49Å; L1683-F1945 HydrophobicContact CG-CD2 3.86Å; L1683-F1945 HydrophobicContact CG-CE1 4.3Å; L1683-F1945 HydrophobicContact CG-CE2 3.62Å; L1683-F1945 HydrophobicContact CG-CG 4.27Å; L1683-F1945 HydrophobicContact CG-CZ 3.84Å
1684G80.9Confident84.8Confident7 Ų729 Ų297%0.07217%0.171CC..EExtended strand (participates in β ladder)trans170.1156.7179.400000115L1842G1684-L1842 WeakPolarHBondContact CA-O 3.47Å
1685K75.2Confident84.7Confident71 Ų7133 Ų3331%0.30919%0.188SC..SBendtrans-55.6147.7173.8-73.1174.2174.7164.30109.5G1687 A1688 L1949 D1950 E1953K1685-G1687 PolarHBondContact O-N 3.14Å; K1685-A1688 WeakPolarHBondContact O-CB 3.49Å; K1685-A1688 PolarHBondContact O-N 3.38Å; K1685-L1949 HydrophobicContact CD-CB 4.38Å; K1685-L1949 HydrophobicContact CD-CD1 4.16Å; K1685-L1949 HydrophobicContact CD-CD2 4.18Å; K1685-L1949 HydrophobicContact CD-CG 4.48Å; K1685-L1949 HydrophobicContact CG-CD1 3.7Å; K1685-L1949 HydrophobicContact CG-CD2 4.04Å; K1685-L1949 HydrophobicContact CG-CG 4.38Å; K1685-D1950 IonicContact NZ-OD1 2.84Å; K1685-D1950 PolarHBondContact NZ-OD1 2.86Å; K1685-E1953 IonicContact NZ-OE1 3.99Å; K1685-E1953 PolarHBondContact NZ-OE1 2.74Å
1686N71.8Confident84.7Confident75 Ų7528.1 Ų28.140%0.40117%0.165SC..THydrogen-bonded Turntrans-60.9133-179.1-78.511.3000110.7D1015 H1827D1015-N1686 HydrophobicContact CB-CB 4.35Å; N1686-H1827 PolarHBondContact OD1-CE1 3.44Å; N1686-H1827 PolarHBondContact OD1-ND1 2.93Å; N1686-H1827 VanDerWaalsContact OD1-ND1 3.15Å
1687G70.7Confident84.9Confident83 Ų8322.4 Ų22.486%0.85614%0.144SC*.THydrogen-bonded Turntrans87.6-5.6-171.400000115.5K1685 G1689K1685-G1687 PolarHBondContact O-N 3.14Å; G1687-G1689 PolarHBondContact O-N 3.2Å; G1687-G1689 VanDerWaalsContact O-N 3.08Å
1688A79.4Confident85Confident8 Ų821.8 Ų21.87%0.06614%0.136CC..SBendtrans-66.3-9.8-178.300000115.9K1685 L1842 G1845K1685-A1688 WeakPolarHBondContact O-CB 3.49Å; K1685-A1688 PolarHBondContact O-N 3.38Å; A1688-L1842 HydrophobicContact CB-CD2 4.39Å; A1688-L1842 HydrophobicContact CB-CG 4.47Å; A1688-L1842 WeakPolarHBondContact CB-O 3.3Å; A1688-L1842 VanDerWaalsContact O-CD2 3.23Å; A1688-L1842 WeakPolarHBondContact O-CD2 3.44Å; A1688-G1845 WeakPolarHBondContact O-CA 3.47Å; A1688-G1845 PolarHBondContact O-N 2.94Å
1689G80.6Confident84.4Confident4 Ų423.3 Ų23.34%0.04116%0.158CC..SBendtrans123.3-9.6177.400000115.9G1687 S1691 T1692 I1693G1687-G1689 PolarHBondContact O-N 3.2Å; G1687-G1689 VanDerWaalsContact O-N 3.08Å; G1689-S1691 PolarHBondContact O-N 3.04Å; G1689-T1692 WeakPolarHBondContact O-CA 3.3Å; G1689-T1692 VanDerWaalsContact O-CB 3.26Å; G1689-T1692 WeakPolarHBondContact O-CB 3.35Å; G1689-T1692 PolarHBondContact O-N 3Å; G1689-I1693 PolarHBondContact O-N 2.72Å
1690K84.3Confident83.8Confident14 Ų1427 Ų276%0.06118%0.175CC..Hα-helixtrans-40.1-68.4-174.3-66.4-159.1-67.1167.90113.9L1682 T1692 I1693 F1694 E1795 T1825 S1826 L1842L1682-K1690 HydrophobicContact CD2-CB 4.46Å; L1682-K1690 HydrophobicContact CG-CG 4.41Å; L1682-K1690 VanDerWaalsContact O-CD 3.25Å; L1682-K1690 WeakPolarHBondContact O-CD 3.25Å; K1690-T1692 PolarHBondContact O-N 3.26Å; K1690-I1693 WeakPolarHBondContact O-CB 3.46Å; K1690-I1693 PolarHBondContact O-N 2.95Å; K1690-I1693 VanDerWaalsContact O-N 3.11Å; K1690-F1694 PolarHBondContact O-N 3.11Å; K1690-F1694 VanDerWaalsContact O-N 3.16Å; K1690-E1795 IonicContact NZ-OE1 3.94Å; K1690-E1795 PolarHBondContact NZ-OE1 3.38Å; K1690-T1825 HydrophobicContact CB-CG2 4.14Å; K1690-T1825 HydrophobicContact CD-CG2 4.03Å; K1690-S1826 PolarHBondContact NZ-O 3.37Å; K1690-L1842 HydrophobicContact CG-CD2 4.35Å
1691S83.1Confident83.2Confident46 Ų4629.2 Ų29.232%0.32219%0.187SC..Hα-helixtrans-70.7-15-177.4-45.10000113.7G1689 K1695 D1794G1689-S1691 PolarHBondContact O-N 3.04Å; S1691-K1695 VanDerWaalsContact O-CG 3.31Å; S1691-K1695 WeakPolarHBondContact O-CG 3.31Å; S1691-K1695 PolarHBondContact O-N 3.3Å; S1691-K1695 VanDerWaalsContact O-N 3.07Å; S1691-D1794 PolarHBondContact OG-OD2 3.04Å
1692T86.9Confident82.6Confident18 Ų1833.8 Ų33.811%0.1121%0.208CC..Hα-helixtrans-72.9-41.7170-56.70000110.5L1658 Y1660 A1666 V1667 G1689 K1690 F1694 K1695 L1696 L1701L1658-T1692 HydrophobicContact CD2-CG2 3.56Å; Y1660-T1692 HydrophobicContact CE2-CG2 4.34Å; Y1660-T1692 PolarHBondContact OH-OG1 2.69Å; A1666-T1692 HydrophobicContact CB-CG2 4.09Å; V1667-T1692 HydrophobicContact CG2-CG2 3.78Å; G1689-T1692 WeakPolarHBondContact O-CA 3.3Å; G1689-T1692 VanDerWaalsContact O-CB 3.26Å; G1689-T1692 WeakPolarHBondContact O-CB 3.35Å; G1689-T1692 PolarHBondContact O-N 3Å; K1690-T1692 PolarHBondContact O-N 3.26Å; T1692-F1694 VanDerWaalsContact C-N 3.32Å; T1692-F1694 PolarHBondContact O-N 3.01Å; T1692-K1695 WeakPolarHBondContact O-CB 3.39Å; T1692-K1695 PolarHBondContact O-N 2.69Å; T1692-K1695 VanDerWaalsContact O-N 3.17Å; T1692-L1696 WeakPolarHBondContact O-CG 3.46Å; T1692-L1696 PolarHBondContact O-N 2.91Å; T1692-L1701 HydrophobicContact CG2-CD1 4.31Å
1693I89.5Confident82.1Confident0 Ų035.6 Ų35.60%022%0.22CC..Hα-helixtrans-62.2-41.3172.8-66.6165.7000110.1V1667 V1670 F1672 L1682 G1689 K1690 K1695 L1696 L1697 L1842V1667-I1693 HydrophobicContact CG1-CG1 4.18Å; V1667-I1693 HydrophobicContact CG2-CG1 3.88Å; V1670-I1693 HydrophobicContact CG1-CD1 4.18Å; V1670-I1693 HydrophobicContact CG2-CD1 4.39Å; F1672-I1693 HydrophobicContact CE1-CG2 4.18Å; F1672-I1693 HydrophobicContact CZ-CG2 4.26Å; L1682-I1693 HydrophobicContact CD2-CB 4.2Å; L1682-I1693 HydrophobicContact CD2-CD1 4.1Å; L1682-I1693 HydrophobicContact CD2-CG2 4.21Å; G1689-I1693 PolarHBondContact O-N 2.72Å; K1690-I1693 WeakPolarHBondContact O-CB 3.46Å; K1690-I1693 PolarHBondContact O-N 2.95Å; K1690-I1693 VanDerWaalsContact O-N 3.11Å; I1693-K1695 VanDerWaalsContact C-N 3.32Å; I1693-K1695 PolarHBondContact O-N 3.33Å; I1693-L1696 WeakPolarHBondContact O-CB 3.37Å; I1693-L1696 PolarHBondContact O-N 3.19Å; I1693-L1696 VanDerWaalsContact O-N 3.11Å; I1693-L1697 HydrophobicContact CG2-CD1 4.14Å; I1693-L1697 HydrophobicContact CG2-CG 4.32Å; I1693-L1697 WeakPolarHBondContact O-CG 3.05Å; I1693-L1697 PolarHBondContact O-N 3.3Å; I1693-L1842 HydrophobicContact CD1-CD1 3.76Å; I1693-L1842 HydrophobicContact CD1-CD2 3.73Å; I1693-L1842 HydrophobicContact CD1-CG 4.43Å
1694F89.8Confident81.7Confident0 Ų040 Ų400%024%0.244CC..Hα-helixtrans-63.2-34.9174-86.6-117.8000113.3L1682 K1690 T1692 L1697 T1698 Y1717 L1792 D1794 V1823 T1825L1682-F1694 HydrophobicContact CD2-CD2 4.32Å; L1682-F1694 HydrophobicContact CD2-CE2 4.08Å; K1690-F1694 PolarHBondContact O-N 3.11Å; K1690-F1694 VanDerWaalsContact O-N 3.16Å; T1692-F1694 VanDerWaalsContact C-N 3.32Å; T1692-F1694 PolarHBondContact O-N 3.01Å; F1694-L1697 PolarHBondContact O-N 2.86Å; F1694-T1698 WeakPolarHBondContact O-CB 3.42Å; F1694-T1698 WeakPolarHBondContact O-CG2 3.44Å; F1694-T1698 PolarHBondContact O-N 3.05Å; F1694-T1698 PolarHBondContact O-OG1 3.27Å; F1694-Y1717 HydrophobicContact CD1-CD2 4.49Å; F1694-Y1717 AromaticContact CD1-CE2 3.88Å; F1694-Y1717 HydrophobicContact CD1-CE2 3.88Å; F1694-L1792 HydrophobicContact CD1-CB 4.17Å; F1694-L1792 HydrophobicContact CE1-CB 3.88Å; F1694-D1794 HydrophobicContact CD1-CB 3.94Å; F1694-D1794 HydrophobicContact CE1-CB 4.13Å; F1694-V1823 HydrophobicContact CE2-CG1 4Å; F1694-V1823 HydrophobicContact CZ-CB 4.43Å; F1694-V1823 HydrophobicContact CZ-CG1 3.8Å; F1694-T1825 HydrophobicContact CD2-CG2 4.06Å; F1694-T1825 HydrophobicContact CE2-CG2 3.44Å; F1694-T1825 VanDerWaalsContact CE2-CG2 3.44Å; F1694-T1825 HydrophobicContact CZ-CG2 3.76Å
1695K87.3Confident81.6Confident82 Ų8242.4 Ų42.436%0.35726%0.257SS..Hα-helixtrans-69.1-29.9172.4-76176.9-179.8-1770113.4S1691 T1692 I1693 G1699 Q1700 L1701S1691-K1695 VanDerWaalsContact O-CG 3.31Å; S1691-K1695 WeakPolarHBondContact O-CG 3.31Å; S1691-K1695 PolarHBondContact O-N 3.3Å; S1691-K1695 VanDerWaalsContact O-N 3.07Å; T1692-K1695 WeakPolarHBondContact O-CB 3.39Å; T1692-K1695 PolarHBondContact O-N 2.69Å; T1692-K1695 VanDerWaalsContact O-N 3.17Å; I1693-K1695 VanDerWaalsContact C-N 3.32Å; I1693-K1695 PolarHBondContact O-N 3.33Å; K1695-G1699 PolarHBondContact O-N 3.39Å; K1695-Q1700 HydrophobicContact CB-CB 4.16Å; K1695-Q1700 HydrophobicContact CG-CB 4.29Å; K1695-Q1700 PolarHBondContact O-N 3.15Å; K1695-L1701 HydrophobicContact CB-CB 4.35Å; K1695-L1701 HydrophobicContact CB-CD1 3.64Å; K1695-L1701 HydrophobicContact CB-CG 3.91Å; K1695-L1701 HydrophobicContact CD-CD1 3.99Å; K1695-L1701 HydrophobicContact CG-CD1 4.45Å; K1695-L1701 PolarHBondContact O-N 3.02Å
1696L88.5Confident81.6Confident6 Ų640.3 Ų40.33%0.03126%0.255CS..Hα-helixtrans-70.6-49.7170.1-68.1169.1000110.9L1658 V1667 T1692 I1693 T1698 G1699 L1701 P1703 I1708L1658-L1696 HydrophobicContact CB-CD1 4.42Å; L1658-L1696 HydrophobicContact CD2-CD2 4.21Å; L1658-L1696 HydrophobicContact CD2-CG 4.47Å; V1667-L1696 HydrophobicContact CG2-CD1 4.02Å; T1692-L1696 WeakPolarHBondContact O-CG 3.46Å; T1692-L1696 PolarHBondContact O-N 2.91Å; I1693-L1696 WeakPolarHBondContact O-CB 3.37Å; I1693-L1696 PolarHBondContact O-N 3.19Å; I1693-L1696 VanDerWaalsContact O-N 3.11Å; L1696-T1698 VanDerWaalsContact C-N 3.31Å; L1696-T1698 PolarHBondContact O-N 2.78Å; L1696-G1699 PolarHBondContact O-N 3.26Å; L1696-L1701 HydrophobicContact CD2-CB 3.92Å; L1696-L1701 HydrophobicContact CG-CB 4.46Å; L1696-P1703 HydrophobicContact CD2-CB 4.02Å; L1696-I1708 HydrophobicContact CB-CD1 3.96Å
1697L88.4Confident82Confident3 Ų342.4 Ų42.42%0.01626%0.262CS..Hα-helixtrans-58.5-38.4177.7-69.2172.7000113V1651 F1672 I1693 F1694 G1699 I1708 F1710 L1792V1651-L1697 HydrophobicContact CG1-CD2 4.02Å; F1672-L1697 HydrophobicContact CZ-CD1 4.33Å; F1672-L1697 HydrophobicContact CZ-CD2 4.26Å; I1693-L1697 HydrophobicContact CG2-CD1 4.14Å; I1693-L1697 HydrophobicContact CG2-CG 4.32Å; I1693-L1697 WeakPolarHBondContact O-CG 3.05Å; I1693-L1697 PolarHBondContact O-N 3.3Å; F1694-L1697 PolarHBondContact O-N 2.86Å; L1697-G1699 VanDerWaalsContact C-N 3.3Å; L1697-I1708 HydrophobicContact CD2-CD1 4.35Å; L1697-I1708 HydrophobicContact CD2-CG2 3.91Å; L1697-F1710 HydrophobicContact CB-CZ 4.36Å; L1697-F1710 HydrophobicContact CD2-CZ 4.06Å; L1697-F1710 VanDerWaalsContact O-CZ 3.28Å; L1697-F1710 WeakPolarHBondContact O-CZ 3.45Å; L1697-L1792 HydrophobicContact CB-CD1 3.84Å; L1697-L1792 HydrophobicContact CD1-CD1 4.49Å; L1697-L1792 HydrophobicContact CD1-CD2 4.15Å
1698T86.5Confident82.7Confident11 Ų1140.2 Ų40.27%0.06723%0.23CC..THydrogen-bonded Turntrans-85.13177.452.90000114L1421 F1694 L1696 Q1700 Y1717 L1792L1421-T1698 HydrophobicContact CD1-CG2 4.44Å; F1694-T1698 WeakPolarHBondContact O-CB 3.42Å; F1694-T1698 WeakPolarHBondContact O-CG2 3.44Å; F1694-T1698 PolarHBondContact O-N 3.05Å; F1694-T1698 PolarHBondContact O-OG1 3.27Å; L1696-T1698 VanDerWaalsContact C-N 3.31Å; L1696-T1698 PolarHBondContact O-N 2.78Å; T1698-Q1700 PolarHBondContact O-N 2.81Å; T1698-Q1700 PolarHBondContact OG1-NE2 2.83Å; T1698-Y1717 HydrophobicContact CG2-CD1 3.74Å; T1698-Y1717 HydrophobicContact CG2-CD2 4.15Å; T1698-Y1717 HydrophobicContact CG2-CE1 4.02Å; T1698-Y1717 HydrophobicContact CG2-CE2 4.44Å; T1698-Y1717 HydrophobicContact CG2-CG 3.8Å; T1698-L1792 HydrophobicContact CG2-CD1 3.65Å
1699G78.4Confident82.9Confident56 Ų5643.4 Ų43.458%0.57724%0.241SC*.THydrogen-bonded Turntrans67.413.6179.100000115.5K1695 L1696 L1697 L1701K1695-G1699 PolarHBondContact O-N 3.39Å; L1696-G1699 PolarHBondContact O-N 3.26Å; L1697-G1699 VanDerWaalsContact C-N 3.3Å; G1699-L1701 VanDerWaalsContact C-N 3.3Å
1700Q79.4Confident82.9Confident78 Ų7845.7 Ų45.736%0.36425%0.25SS..SBendtrans-69.7-31171.9-67.3173.964.100111.8L1417 K1695 T1698L1417-Q1700 HydrophobicContact CD1-CG 4.04Å; L1417-Q1700 HydrophobicContact CD2-CG 3.93Å; K1695-Q1700 HydrophobicContact CB-CB 4.16Å; K1695-Q1700 HydrophobicContact CG-CB 4.29Å; K1695-Q1700 PolarHBondContact O-N 3.15Å; T1698-Q1700 PolarHBondContact O-N 2.81Å; T1698-Q1700 PolarHBondContact OG1-NE2 2.83Å
1701L80.6Confident82.3Confident46 Ų4648.2 Ų48.224%0.24126%0.262CS..SBendtrans-121.6147.3172.2-64172.7000108L1658 T1692 K1695 L1696 G1699L1658-L1701 HydrophobicContact CD2-CB 4.36Å; L1658-L1701 HydrophobicContact CD2-CD1 3.83Å; T1692-L1701 HydrophobicContact CG2-CD1 4.31Å; K1695-L1701 HydrophobicContact CB-CB 4.35Å; K1695-L1701 HydrophobicContact CB-CD1 3.64Å; K1695-L1701 HydrophobicContact CB-CG 3.91Å; K1695-L1701 HydrophobicContact CD-CD1 3.99Å; K1695-L1701 HydrophobicContact CG-CD1 4.45Å; K1695-L1701 PolarHBondContact O-N 3.02Å; L1696-L1701 HydrophobicContact CD2-CB 3.92Å; L1696-L1701 HydrophobicContact CG-CB 4.46Å; G1699-L1701 VanDerWaalsContact C-N 3.3Å
1702Q76.9Confident81.6Confident97 Ų9750.7 Ų50.745%0.45327%0.269SS..  trans-99.9140.8169.4-68.7175.9-26.900107.9L1658L1658-Q1702 WeakPolarHBondContact CD1-O 3.25Å
1703P79.5Confident80.4Confident41 Ų4156.2 Ų56.227%0.26631%0.305SS..  trans-70.1146175.829.7-33.7000110.6L1656 L1696L1656-P1703 HydrophobicContact CD2-CB 4.08Å; L1656-P1703 HydrophobicContact CD2-CG 4.29Å; L1696-P1703 HydrophobicContact CD2-CB 4.02Å
1704D79.3Confident79.5Confident95 Ų9557.4 Ų57.451%0.50832%0.318SS..SBendtrans-73.6-34.5174-62.8-37.8000110.5W1657 L1658 A1659W1657-D1704 PolarHBondContact O-N 3.31Å; L1658-D1704 VanDerWaalsContact CA-OD2 3.31Å; L1658-D1704 WeakPolarHBondContact CA-OD2 3.32Å; A1659-D1704 PolarHBondContact N-OD2 2.66Å
1705V77.2Confident79.2Confident57 Ų5758 Ų5835%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-140.1142.5170.6-174.30000108.6N1655 L1656 W1657N1655-V1705 CarbonylContact O-C 3.56Å; L1656-V1705 CarbonylContact C-O 3.57Å; L1656-V1705 WeakPolarHBondContact CA-O 3.46Å; W1657-V1705 HydrophobicContact CB-CB 4.05Å; W1657-V1705 HydrophobicContact CG-CB 4.17Å; W1657-V1705 PolarHBondContact N-O 2.84Å
1706G76.2Confident79.2Confident26 Ų2654.1 Ų54.127%0.26830%0.304SS..EExtended strand (participates in β ladder)trans112.1173.7176.500000113.5E1654 N1655E1654-G1706 CarbonylContact O-C 3.48Å; E1654-G1706 WeakPolarHBondContact O-CA 3.48Å; N1655-G1706 WeakPolarHBondContact O-CA 3.24Å; N1655-G1706 PolarHBondContact O-N 3.13Å
1707Q80.2Confident79.2Confident120 Ų12054.4 Ų54.456%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-138.7161.4175.3-66.2-160.730.800111.5E1654 Y1709E1654-Q1707 PolarHBondContact N-O 2.91Å; E1654-Q1707 PolarHBondContact O-N 3.45Å; Q1707-Y1709 HydrophobicContact CB-CE1 4.37Å; Q1707-Y1709 HydrophobicContact CB-CE2 4.29Å
1708I84.4Confident79.3Confident36 Ų3654.2 Ų54.219%0.18530%0.304CS..EExtended strand (participates in β ladder)trans-132.7124178-54.5170.3000107.4R1652 L1656 L1696 L1697 F1710R1652-I1708 CarbonylContact O-C 3.57Å; R1652-I1708 WeakPolarHBondContact O-CA 3.24Å; L1656-I1708 HydrophobicContact CD1-CD1 4.16Å; L1656-I1708 HydrophobicContact CD1-CG1 4.13Å; L1656-I1708 HydrophobicContact CD2-CD1 4.2Å; L1656-I1708 HydrophobicContact CD2-CG1 3.73Å; L1696-I1708 HydrophobicContact CB-CD1 3.96Å; L1697-I1708 HydrophobicContact CD2-CD1 4.35Å; L1697-I1708 HydrophobicContact CD2-CG2 3.91Å; I1708-F1710 HydrophobicContact CB-CE2 4.37Å; I1708-F1710 HydrophobicContact CG2-CD2 4.11Å; I1708-F1710 HydrophobicContact CG2-CE1 4.49Å; I1708-F1710 HydrophobicContact CG2-CE2 3.41Å; I1708-F1710 VanDerWaalsContact CG2-CE2 3.41Å; I1708-F1710 HydrophobicContact CG2-CZ 3.63Å
1709Y83.6Confident79.3Confident75 Ų7554.3 Ų54.329%0.29430%0.304SS..EExtended strand (participates in β ladder)trans-109.9141.7176.7-44.8-81.7000109.6R1652 E1654 Q1707R1652-Y1709 HydrophobicContact CB-CD2 4.25Å; R1652-Y1709 HydrophobicContact CG-CD2 4.2Å; R1652-Y1709 PolarHBondContact N-O 3.29Å; R1652-Y1709 PolarHBondContact O-N 3.4Å; E1654-Y1709 HydrophobicContact CG-CE2 4.21Å; E1654-Y1709 WeakPolarHBondContact OE2-CE2 3.37Å; Q1707-Y1709 HydrophobicContact CB-CE1 4.37Å; Q1707-Y1709 HydrophobicContact CB-CE2 4.29Å
1710F80.6Confident79.3Confident52 Ų5256.8 Ų56.823%0.22830%0.301CS..EExtended strand (participates in β ladder)trans-128143174.3-65.9-84.1000108.2V1651 L1697 I1708 Q1712 I1715 T1790V1651-F1710 HydrophobicContact CB-CD1 4.45Å; V1651-F1710 HydrophobicContact CB-CE1 4.43Å; V1651-F1710 HydrophobicContact CG1-CD1 4.18Å; V1651-F1710 HydrophobicContact CG1-CE1 3.8Å; V1651-F1710 HydrophobicContact CG1-CZ 4.43Å; V1651-F1710 HydrophobicContact CG2-CD1 3.91Å; V1651-F1710 HydrophobicContact CG2-CE1 3.91Å; L1697-F1710 HydrophobicContact CB-CZ 4.36Å; L1697-F1710 HydrophobicContact CD2-CZ 4.06Å; L1697-F1710 VanDerWaalsContact O-CZ 3.28Å; L1697-F1710 WeakPolarHBondContact O-CZ 3.45Å; I1708-F1710 HydrophobicContact CB-CE2 4.37Å; I1708-F1710 HydrophobicContact CG2-CD2 4.11Å; I1708-F1710 HydrophobicContact CG2-CE1 4.49Å; I1708-F1710 HydrophobicContact CG2-CE2 3.41Å; I1708-F1710 VanDerWaalsContact CG2-CE2 3.41Å; I1708-F1710 HydrophobicContact CG2-CZ 3.63Å; F1710-Q1712 VanDerWaalsContact C-N 3.28Å; F1710-Q1712 PolarHBondContact O-N 2.78Å; F1710-I1715 HydrophobicContact CD1-CD1 3.81Å; F1710-I1715 HydrophobicContact CD1-CG1 4.12Å; F1710-I1715 HydrophobicContact CD2-CD1 3.98Å; F1710-I1715 HydrophobicContact CE1-CD1 3.56Å; F1710-I1715 HydrophobicContact CE1-CG1 4.18Å; F1710-I1715 HydrophobicContact CE2-CD1 3.73Å; F1710-I1715 HydrophobicContact CG-CD1 4.02Å; F1710-I1715 HydrophobicContact CG-CG1 4.5Å; F1710-I1715 HydrophobicContact CZ-CD1 3.52Å; F1710-T1790 HydrophobicContact CD1-CG2 4.44Å
1711E71.4Confident79.4Confident68 Ų6856.2 Ų56.232%0.31831%0.305SS..SBendtrans-63.1-35.9177.8-172.5-172.1-151.600112.3A1650 R1676A1650-E1711 PolarHBondContact O-N 3.31Å; A1650-E1711 VanDerWaalsContact O-N 3.13Å; R1676-E1711 VanDerWaalsContact CZ-CD 3.48Å; R1676-E1711 IonicContact CZ-OE1 4Å; R1676-E1711 IonicContact CZ-OE2 3.55Å; R1676-E1711 VanDerWaalsContact NE-CD 3.33Å; R1676-E1711 IonicContact NE-OE1 3.98Å; R1676-E1711 PolarHBondContact NE-OE1 3.02Å; R1676-E1711 VanDerWaalsContact NE-OE1 3.11Å; R1676-E1711 IonicContact NE-OE2 3.28Å; R1676-E1711 PolarHBondContact NE-OE2 3.36Å; R1676-E1711 IonicContact NH1-OE1 2.97Å; R1676-E1711 IonicContact NH2-OE1 2.69Å; R1676-E1711 PolarHBondContact NH2-OE1 3.24Å; R1676-E1711 IonicContact NH2-OE2 3.67Å; R1676-E1711 PolarHBondContact NH2-OE2 3.01Å
1712Q69Low79.6Confident98 Ų9856.2 Ų56.246%0.45831%0.305SS..SBendtrans-139.5151.2176.8-62.2-174.9-14.400110.1F1710 G1714 P1789F1710-Q1712 VanDerWaalsContact C-N 3.28Å; F1710-Q1712 PolarHBondContact O-N 2.78Å; Q1712-G1714 PolarHBondContact O-N 2.93Å; Q1712-P1789 HydrophobicContact CB-CG 3.93Å; Q1712-P1789 HydrophobicContact CG-CG 4.2Å
1713P62Low80Confident133 Ų13351.7 Ų51.786%0.86429%0.285SS*.SBendtrans-72.2-7.9-176.729-36.3000114.8
1714G70.4Confident80.4Confident26 Ų2650.2 Ų50.227%0.26827%0.274SS..  trans-87.7106.918000000112.4Q1712 T1788Q1712-G1714 PolarHBondContact O-N 2.93Å; G1714-T1788 VanDerWaalsContact O-CB 3.27Å; G1714-T1788 WeakPolarHBondContact O-CB 3.38Å; G1714-T1788 WeakPolarHBondContact O-CG2 3.29Å
1715I83.3Confident80.7Confident12 Ų1245.9 Ų45.96%0.06225%0.251CS..EExtended strand (participates in β ladder)trans-115.7128-179.9-54.8168.4000109.2F1710 L1792F1710-I1715 HydrophobicContact CD1-CD1 3.81Å; F1710-I1715 HydrophobicContact CD1-CG1 4.12Å; F1710-I1715 HydrophobicContact CD2-CD1 3.98Å; F1710-I1715 HydrophobicContact CE1-CD1 3.56Å; F1710-I1715 HydrophobicContact CE1-CG1 4.18Å; F1710-I1715 HydrophobicContact CE2-CD1 3.73Å; F1710-I1715 HydrophobicContact CG-CD1 4.02Å; F1710-I1715 HydrophobicContact CG-CG1 4.5Å; F1710-I1715 HydrophobicContact CZ-CD1 3.52Å; I1715-L1792 HydrophobicContact CG2-CD1 3.69Å; I1715-L1792 HydrophobicContact CG2-CG 3.74Å
1716S87Confident81.1Confident0 Ų044.8 Ų44.80%025%0.246CC..EExtended strand (participates in β ladder)trans-86.1140.4167.7-760000110.7R1741 T1783 T1788 T1790 L1792S1716-R1741 PolarHBondContact OG-NH1 3.22Å; S1716-R1741 PolarHBondContact OG-NH2 2.71Å; S1716-T1783 WeakPolarHBondContact CB-O 3.45Å; S1716-T1783 PolarHBondContact OG-O 3.41Å; S1716-T1788 WeakPolarHBondContact CB-OG1 3.43Å; S1716-T1788 PolarHBondContact N-OG1 3.13Å; S1716-T1788 WeakPolarHBondContact OG-CG2 3.39Å; S1716-T1788 PolarHBondContact OG-OG1 3.21Å; S1716-T1790 PolarHBondContact N-O 3Å; S1716-L1792 PolarHBondContact O-N 3.17Å
1717Y89.3Confident81.6Confident12 Ų1244.5 Ų44.55%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-132.9130.3176.4-179-145000111.7L1417 Q1418 L1421 F1694 T1698 P1719 T1783 L1792 D1794L1417-Y1717 HydrophobicContact CD2-CD1 4.14Å; L1417-Y1717 HydrophobicContact CD2-CE1 4.04Å; Q1418-Y1717 PolarHBondContact NE2-O 3.02Å; Q1418-Y1717 PolarHBondContact OE1-O 2.84Å; L1421-Y1717 HydrophobicContact CD1-CD1 3.95Å; L1421-Y1717 HydrophobicContact CD1-CG 4.23Å; F1694-Y1717 HydrophobicContact CD1-CD2 4.49Å; F1694-Y1717 AromaticContact CD1-CE2 3.88Å; F1694-Y1717 HydrophobicContact CD1-CE2 3.88Å; T1698-Y1717 HydrophobicContact CG2-CD1 3.74Å; T1698-Y1717 HydrophobicContact CG2-CD2 4.15Å; T1698-Y1717 HydrophobicContact CG2-CE1 4.02Å; T1698-Y1717 HydrophobicContact CG2-CE2 4.44Å; T1698-Y1717 HydrophobicContact CG2-CG 3.8Å; Y1717-P1719 HydrophobicContact CD1-CB 4.33Å; Y1717-P1719 HydrophobicContact CE1-CB 3.64Å; Y1717-P1719 HydrophobicContact CE1-CG 4.28Å; Y1717-P1719 HydrophobicContact CE2-CB 4.17Å; Y1717-P1719 VanDerWaalsContact CZ-CA 3.48Å; Y1717-T1783 VanDerWaalsContact C-CG2 3.43Å; Y1717-T1783 PolarHBondContact O-OG1 3.1Å; Y1717-L1792 CarbonylContact C-O 3.5Å; Y1717-L1792 WeakPolarHBondContact CA-O 3.5Å; Y1717-L1792 HydrophobicContact CD2-CB 3.95Å; Y1717-D1794 HydrophobicContact CE2-CB 4.12Å
1718C89.6Confident82.1Confident0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-108.2100.6162.5176.20000107.5T1783 L1792 M1793 D1794C1718-T1783 HydrophobicContact CB-CG2 3.87Å; C1718-L1792 PolarHBondContact N-O 3.27Å; C1718-M1793 HydrophobicContact CB-CG 4.34Å; C1718-D1794 PolarHBondContact O-N 3.1Å
1719P86.8Confident82.4Confident12 Ų1237.8 Ų37.88%0.07821%0.206CC..  trans-69.4171.7174.928.3-34.1000112Y1717 S1721 P1723 R1776 D1794Y1717-P1719 HydrophobicContact CD1-CB 4.33Å; Y1717-P1719 HydrophobicContact CE1-CB 3.64Å; Y1717-P1719 HydrophobicContact CE1-CG 4.28Å; Y1717-P1719 HydrophobicContact CE2-CB 4.17Å; Y1717-P1719 VanDerWaalsContact CZ-CA 3.48Å; P1719-S1721 PolarHBondContact O-N 2.73Å; P1719-S1721 VanDerWaalsContact O-O 3.06Å; P1719-P1723 HydrophobicContact CG-CG 3.75Å; P1719-R1776 VanDerWaalsContact O-CZ 3.28Å; P1719-R1776 PolarHBondContact O-NH1 3.09Å; P1719-R1776 PolarHBondContact O-NH2 3.41Å; P1719-D1794 CarbonylContact C-O 3.57Å
1720Q79.6Confident82.7Confident108 Ų10834.2 Ų34.251%0.50519%0.192SC..SBendtrans-62.8-29.1169.7-166.4179.836.800112.8
1721S79.9Confident83.2Confident66 Ų6632.1 Ų32.146%0.46218%0.184SC..SBendtrans-82177.5171.761.50000112.2P1719 P1723 R1776P1719-S1721 PolarHBondContact O-N 2.73Å; P1719-S1721 VanDerWaalsContact O-O 3.06Å; S1721-P1723 WeakPolarHBondContact O-CD 2.87Å; S1721-R1776 PolarHBondContact O-NH1 3.32Å; S1721-R1776 VanDerWaalsContact O-NH1 3.08Å
1722N85Confident84.2Confident46 Ų4629.8 Ų29.825%0.24617%0.173CC..  trans-115.391.6176.8-67.7-57.4000110L1724 R1775 R1776 T1779N1722-L1724 HydrophobicContact CB-CD1 4.41Å; N1722-L1724 PolarHBondContact O-N 3.46Å; N1722-R1775 HydrophobicContact CB-CB 4.34Å; N1722-R1776 PolarHBondContact OD1-NH1 3.15Å; N1722-T1779 WeakPolarHBondContact CB-OG1 3.34Å; N1722-T1779 WeakPolarHBondContact OD1-CB 3.39Å; N1722-T1779 PolarHBondContact OD1-OG1 2.75Å
1723P85.7Confident85.2Confident3 Ų325.2 Ų25.22%0.01915%0.152CC..  trans-7966.7-173.934.4-38.3000111.7N1413 P1719 S1721 Y1737N1413-P1723 WeakPolarHBondContact O-CA 3.34Å; N1413-P1723 WeakPolarHBondContact O-CB 3.36Å; P1719-P1723 HydrophobicContact CG-CG 3.75Å; S1721-P1723 WeakPolarHBondContact O-CD 2.87Å; P1723-Y1737 PolarHBondContact O-OH 2.95Å
1724L87.5Confident86.5Confident9 Ų918.9 Ų18.95%0.04711%0.111CC..  trans-125127.8-172.8-55.9175.7000109.8N1722 V1767 R1775 L1778 T1779N1722-L1724 HydrophobicContact CB-CD1 4.41Å; N1722-L1724 PolarHBondContact O-N 3.46Å; L1724-V1767 HydrophobicContact CB-CG1 3.76Å; L1724-V1767 HydrophobicContact CD1-CG1 4.17Å; L1724-R1775 HydrophobicContact CD1-CB 4.42Å; L1724-L1778 HydrophobicContact CD1-CB 4.05Å; L1724-L1778 HydrophobicContact CD1-CD2 3.99Å; L1724-L1778 HydrophobicContact CD1-CG 3.89Å; L1724-L1778 HydrophobicContact CD2-CG 4.41Å; L1724-T1779 WeakPolarHBondContact CD1-OG1 3.49Å
1725D86.6Confident87.5Confident4 Ų420.4 Ų20.42%0.02111%0.108CC..  trans-55.7122.2174.2-178.1-48.8000110K1208 H1212 L1727 L1728 V1767K1208-D1725 WeakPolarHBondContact CE-OD2 3.36Å; K1208-D1725 IonicContact NZ-OD2 3.98Å; H1212-D1725 IonicContact CD2-OD1 2.7Å; H1212-D1725 IonicContact CD2-OD2 2.59Å; H1212-D1725 PolarHBondContact CD2-OD2 3.12Å; D1725-L1727 VanDerWaalsContact C-N 3.27Å; D1725-L1727 PolarHBondContact O-N 3.15Å; D1725-L1727 PolarHBondContact OD1-N 2.93Å; D1725-L1728 HydrophobicContact CB-CB 4.26Å; D1725-L1728 HydrophobicContact CB-CD1 4.11Å; D1725-L1728 PolarHBondContact OD1-N 3.21Å; D1725-L1728 WeakPolarHBondContact OD2-CD1 3.28Å; D1725-V1767 WeakPolarHBondContact O-CB 3.38Å
1726P85.3Confident87.8Confident35 Ų3520.6 Ų20.623%0.22711%0.109CC..THydrogen-bonded Turntrans-69.8-19.5-173.127-34.5000114.2R1768P1726-R1768 HydrophobicContact CB-CB 4.08Å; P1726-R1768 VanDerWaalsContact O-CB 3.27Å; P1726-R1768 WeakPolarHBondContact O-CB 3.29Å; P1726-R1768 PolarHBondContact O-N 3.33Å
1727L87.7Confident87.9Confident20 Ų2020.9 Ų20.911%0.10511%0.11CC..THydrogen-bonded Turntrans-100.8-15.7-175.8-58.9-169.8000113.7R1215 N1216 D1725R1215-L1727 VanDerWaalsContact CD-O 3.25Å; R1215-L1727 WeakPolarHBondContact CD-O 3.37Å; R1215-L1727 PolarHBondContact NH1-O 3.04Å; N1216-L1727 HydrophobicContact CB-CD1 3.76Å; D1725-L1727 VanDerWaalsContact C-N 3.27Å; D1725-L1727 PolarHBondContact O-N 3.15Å; D1725-L1727 PolarHBondContact OD1-N 2.93Å
1728L89.6Confident87.7Confident5 Ų520.3 Ų20.33%0.02611%0.108CC..SBendtrans-66.9154.5167.7-9769.5000111.2K1208 D1725 E1732 F1736 Q1766 V1767K1208-L1728 HydrophobicContact CG-CD1 4.4Å; D1725-L1728 HydrophobicContact CB-CB 4.26Å; D1725-L1728 HydrophobicContact CB-CD1 4.11Å; D1725-L1728 PolarHBondContact OD1-N 3.21Å; D1725-L1728 WeakPolarHBondContact OD2-CD1 3.28Å; L1728-E1732 HydrophobicContact CB-CB 4.42Å; L1728-E1732 HydrophobicContact CD2-CB 4.01Å; L1728-E1732 HydrophobicContact CG-CB 4.02Å; L1728-F1736 HydrophobicContact CD2-CB 4.5Å; L1728-Q1766 WeakPolarHBondContact O-CA 3.26Å; L1728-V1767 PolarHBondContact O-N 2.69Å
1729T90.6Very high87.6Confident10 Ų1025.5 Ų25.56%0.06113%0.127CC..BIsolated β-bridgetrans-84.3163.6167.6570000110.7T1731 E1732 C1733 D1764 V1765T1729-T1731 VanDerWaalsContact C-N 3.28Å; T1729-T1731 PolarHBondContact O-N 3.25Å; T1729-T1731 PolarHBondContact OG1-OG1 3Å; T1729-T1731 VanDerWaalsContact OG1-OG1 3.1Å; T1729-E1732 PolarHBondContact N-OE2 3.44Å; T1729-E1732 PolarHBondContact O-N 3.17Å; T1729-E1732 VanDerWaalsContact OG1-CG 3.28Å; T1729-E1732 WeakPolarHBondContact OG1-CG 3.47Å; T1729-E1732 PolarHBondContact OG1-N 2.67Å; T1729-E1732 PolarHBondContact OG1-OE2 2.84Å; T1729-C1733 WeakPolarHBondContact O-CB 3.5Å; T1729-C1733 PolarHBondContact O-N 3.14Å; T1729-D1764 WeakPolarHBondContact CG2-O 3.4Å; T1729-V1765 WeakPolarHBondContact CA-O 3.34Å
1730T90.8Very high87.6Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-48.6-48.2170.9-51.90000112.1E1732 I1734 L1754 L1759 Y1762 K1763 V1765 L1778T1730-E1732 PolarHBondContact O-N 2.94Å; T1730-I1734 HydrophobicContact CG2-CD1 4.21Å; T1730-I1734 WeakPolarHBondContact O-CG1 2.85Å; T1730-I1734 PolarHBondContact O-N 3.26Å; T1730-L1754 HydrophobicContact CG2-CD2 3.73Å; T1730-L1759 HydrophobicContact CG2-CB 4.17Å; T1730-L1759 HydrophobicContact CG2-CD1 4.15Å; T1730-Y1762 WeakPolarHBondContact CB-O 3.47Å; T1730-Y1762 PolarHBondContact OG1-O 3.1Å; T1730-K1763 WeakPolarHBondContact CB-O 3.41Å; T1730-V1765 PolarHBondContact N-O 2.86Å; T1730-L1778 HydrophobicContact CG2-CD1 4.05Å; T1730-L1778 HydrophobicContact CG2-CD2 4.28Å
1731T91.1Very high87.6Confident8 Ų821.2 Ų21.25%0.04911%0.105CC..Hα-helixtrans-62.9-42.917951.70000113.5T1729 R1735 L1750 L1754 K1763T1729-T1731 VanDerWaalsContact C-N 3.28Å; T1729-T1731 PolarHBondContact O-N 3.25Å; T1729-T1731 PolarHBondContact OG1-OG1 3Å; T1729-T1731 VanDerWaalsContact OG1-OG1 3.1Å; T1731-R1735 WeakPolarHBondContact O-CB 3.35Å; T1731-R1735 PolarHBondContact O-N 2.7Å; T1731-L1750 HydrophobicContact CG2-CD1 4.32Å; T1731-L1750 HydrophobicContact CG2-CD2 4.09Å; T1731-L1754 HydrophobicContact CG2-CD1 4.05Å; T1731-K1763 HydrophobicContact CG2-CB 4.38Å; T1731-K1763 HydrophobicContact CG2-CD 4.11Å; T1731-K1763 HydrophobicContact CG2-CG 3.23Å; T1731-K1763 WeakPolarHBondContact CG2-O 3.46Å; T1731-K1763 PolarHBondContact N-O 3.43Å; T1731-K1763 VanDerWaalsContact N-O 3.17Å
1732E91Very high87.6Confident19 Ų1918.5 Ų18.59%0.0899%0.087CC..Hα-helixtrans-73.1-32.8-177.1-69.2170.9117.900112.7R1211 R1215 L1728 T1729 T1730 R1735 F1736R1211-E1732 IonicContact CZ-OE1 3.14Å; R1211-E1732 IonicContact NH1-OE1 3.76Å; R1211-E1732 PolarHBondContact NH1-OE1 3.47Å; R1215-E1732 IonicContact CZ-OE2 3.14Å; R1215-E1732 IonicContact NH1-OE2 3.54Å; R1215-E1732 PolarHBondContact NH1-OE2 2.78Å; R1215-E1732 VanDerWaalsContact NH2-CD 3.34Å; R1215-E1732 IonicContact NH2-OE1 3.31Å; R1215-E1732 PolarHBondContact NH2-OE1 2.84Å; R1215-E1732 IonicContact NH2-OE2 2.66Å; R1215-E1732 PolarHBondContact NH2-OE2 3.01Å; L1728-E1732 HydrophobicContact CB-CB 4.42Å; L1728-E1732 HydrophobicContact CD2-CB 4.01Å; L1728-E1732 HydrophobicContact CG-CB 4.02Å; T1729-E1732 PolarHBondContact N-OE2 3.44Å; T1729-E1732 PolarHBondContact O-N 3.17Å; T1729-E1732 VanDerWaalsContact OG1-CG 3.28Å; T1729-E1732 WeakPolarHBondContact OG1-CG 3.47Å; T1729-E1732 PolarHBondContact OG1-N 2.67Å; T1729-E1732 PolarHBondContact OG1-OE2 2.84Å; T1730-E1732 PolarHBondContact O-N 2.94Å; E1732-R1735 PolarHBondContact O-N 3.28Å; E1732-F1736 WeakPolarHBondContact O-CB 3.45Å; E1732-F1736 PolarHBondContact O-N 2.76Å
1733C91.4Very high87.2Confident2 Ų217 Ų171%0.0148%0.079CC..Hα-helixtrans-63.6-49.7176.3-1660000110.7T1729 R1735 F1736 Y1737 L1778T1729-C1733 WeakPolarHBondContact O-CB 3.5Å; T1729-C1733 PolarHBondContact O-N 3.14Å; C1733-R1735 PolarHBondContact O-N 3.2Å; C1733-F1736 PolarHBondContact O-N 3.26Å; C1733-Y1737 WeakPolarHBondContact O-CD2 3.47Å; C1733-Y1737 PolarHBondContact O-N 3.2Å; C1733-Y1737 VanDerWaalsContact O-N 3.15Å; C1733-L1778 HydrophobicContact CB-CD2 4.48Å
1734I89.4Confident86.6Confident0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-60.4-46.5174.1-62.9163000110.3T1730 F1736 G1738 L1750 V1753 L1754 L1778 V1782T1730-I1734 HydrophobicContact CG2-CD1 4.21Å; T1730-I1734 WeakPolarHBondContact O-CG1 2.85Å; T1730-I1734 PolarHBondContact O-N 3.26Å; I1734-F1736 VanDerWaalsContact C-N 3.35Å; I1734-F1736 PolarHBondContact O-N 2.71Å; I1734-G1738 PolarHBondContact O-N 2.74Å; I1734-L1750 HydrophobicContact CB-CD1 3.81Å; I1734-L1750 HydrophobicContact CD1-CD1 3.82Å; I1734-L1750 HydrophobicContact CG1-CD1 4.43Å; I1734-L1750 HydrophobicContact CG2-CD1 3.72Å; I1734-V1753 HydrophobicContact CD1-CG1 3.78Å; I1734-V1753 HydrophobicContact CG1-CG1 4.43Å; I1734-L1754 HydrophobicContact CD1-CD2 4.28Å; I1734-L1778 HydrophobicContact CD1-CD1 3.97Å; I1734-L1778 HydrophobicContact CG1-CD1 3.72Å; I1734-V1782 HydrophobicContact CG1-CG2 4.4Å
1735R89.6Confident86.1Confident58 Ų5826.4 Ų26.422%0.21912%0.122CC..Hα-helixtrans-67.2-31.2-178.6-167.8-179-75.9121.1-16.2113.1T1731 E1732 C1733 R1739 L1746 D1747T1731-R1735 WeakPolarHBondContact O-CB 3.35Å; T1731-R1735 PolarHBondContact O-N 2.7Å; E1732-R1735 PolarHBondContact O-N 3.28Å; C1733-R1735 PolarHBondContact O-N 3.2Å; R1735-R1739 VanDerWaalsContact O-CG 3.29Å; R1735-R1739 WeakPolarHBondContact O-CG 3.42Å; R1735-R1739 PolarHBondContact O-N 3.32Å; R1735-L1746 HydrophobicContact CB-CD2 4.43Å; R1735-L1746 HydrophobicContact CG-CD2 3.72Å; R1735-L1746 HydrophobicContact CG-CG 4.35Å; R1735-D1747 IonicContact CZ-OD1 3.49Å; R1735-D1747 IonicContact NE-OD1 3.52Å; R1735-D1747 PolarHBondContact NE-OD1 2.88Å; R1735-D1747 IonicContact NH2-OD1 3.94Å; R1735-D1747 PolarHBondContact NH2-OD1 2.83Å
1736F89.9Confident85.9Confident16 Ų1626.8 Ų26.87%0.0712%0.124CC..Hα-helixtrans-68.9-57.9174.9169.9-103.1000111L1205 K1208 L1728 E1732 C1733 I1734 G1738 R1739 L1740L1205-F1736 HydrophobicContact CD2-CE2 4.38Å; L1205-F1736 HydrophobicContact CD2-CZ 3.98Å; K1208-F1736 HydrophobicContact CB-CD2 4.1Å; K1208-F1736 HydrophobicContact CB-CE2 3.82Å; K1208-F1736 HydrophobicContact CB-CZ 4.41Å; K1208-F1736 HydrophobicContact CD-CE1 4.41Å; K1208-F1736 HydrophobicContact CD-CE2 4.39Å; K1208-F1736 HydrophobicContact CD-CZ 4.13Å; K1208-F1736 HydrophobicContact CG-CE2 4.45Å; L1728-F1736 HydrophobicContact CD2-CB 4.5Å; E1732-F1736 WeakPolarHBondContact O-CB 3.45Å; E1732-F1736 PolarHBondContact O-N 2.76Å; C1733-F1736 PolarHBondContact O-N 3.26Å; I1734-F1736 VanDerWaalsContact C-N 3.35Å; I1734-F1736 PolarHBondContact O-N 2.71Å; F1736-G1738 VanDerWaalsContact C-N 3.31Å; F1736-G1738 PolarHBondContact O-N 3.39Å; F1736-R1739 PolarHBondContact O-N 3.48Å; F1736-L1740 HydrophobicContact CE1-CD2 4.3Å; F1736-L1740 HydrophobicContact CZ-CD2 4.28Å; F1736-L1740 PolarHBondContact O-N 2.84Å
1737Y88.9Confident85.8Confident6 Ų628.8 Ų28.82%0.02413%0.133CC..Hα-helixtrans-66.3-32.1-179-74.5-68.8000112.6Q1418 P1723 C1733 L1740 R1741 V1782Q1418-Y1737 HydrophobicContact CB-CE1 4.22Å; Q1418-Y1737 HydrophobicContact CG-CE1 3.73Å; P1723-Y1737 PolarHBondContact O-OH 2.95Å; C1733-Y1737 WeakPolarHBondContact O-CD2 3.47Å; C1733-Y1737 PolarHBondContact O-N 3.2Å; C1733-Y1737 VanDerWaalsContact O-N 3.15Å; Y1737-L1740 HydrophobicContact CD1-CD2 4.29Å; Y1737-L1740 WeakPolarHBondContact O-CB 3.3Å; Y1737-L1740 PolarHBondContact O-N 3.16Å; Y1737-R1741 WeakPolarHBondContact O-CB 3.32Å; Y1737-R1741 VanDerWaalsContact O-CG 3.32Å; Y1737-R1741 WeakPolarHBondContact O-CG 3.44Å; Y1737-R1741 PolarHBondContact O-N 3.27Å; Y1737-V1782 HydrophobicContact CD1-CG1 4.31Å; Y1737-V1782 HydrophobicContact CD2-CB 4.38Å; Y1737-V1782 HydrophobicContact CD2-CG1 3.34Å; Y1737-V1782 HydrophobicContact CD2-CG2 4.08Å; Y1737-V1782 HydrophobicContact CE2-CG1 3.82Å; Y1737-V1782 HydrophobicContact CG-CG1 3.61Å
1738G86.4Confident85.4Confident0 Ų034.2 Ų34.20%016%0.158CC..Hα-helixtrans-65.1-38.6174.200000113.8I1734 F1736 R1741 G1742 I1743I1734-G1738 PolarHBondContact O-N 2.74Å; F1736-G1738 VanDerWaalsContact C-N 3.31Å; F1736-G1738 PolarHBondContact O-N 3.39Å; G1738-R1741 PolarHBondContact O-N 2.95Å; G1738-G1742 PolarHBondContact O-N 3.48Å; G1738-I1743 WeakPolarHBondContact O-CG1 3.37Å; G1738-I1743 PolarHBondContact O-N 3.5Å; G1738-I1743 VanDerWaalsContact O-N 3.1Å
1739R87.3Confident85Confident109 Ų10934 Ų3441%0.41116%0.157SC..Hα-helixtrans-70-36.9171.6-71177.9-178.5-179.2-3112.2L1204 R1735 F1736 R1741 G1742 L1746L1204-R1739 HydrophobicContact CD1-CB 3.79Å; L1204-R1739 HydrophobicContact CD2-CB 3.66Å; L1204-R1739 HydrophobicContact CD2-CG 4.28Å; L1204-R1739 HydrophobicContact CG-CB 4.41Å; R1735-R1739 VanDerWaalsContact O-CG 3.29Å; R1735-R1739 WeakPolarHBondContact O-CG 3.42Å; R1735-R1739 PolarHBondContact O-N 3.32Å; F1736-R1739 PolarHBondContact O-N 3.48Å; R1739-R1741 PolarHBondContact O-N 3.41Å; R1739-G1742 PolarHBondContact O-N 2.86Å; R1739-L1746 HydrophobicContact CG-CD2 3.41Å; R1739-L1746 VanDerWaalsContact CG-CD2 3.41Å
1740L85.7Confident84.8Confident1 Ų133.7 Ų33.71%0.00516%0.155CC..Hα-helixtrans-63.4-28.1176.2-155.164.9000112P1196 L1204 C1422 V1424 F1736 Y1737P1196-L1740 WeakPolarHBondContact CG-O 3.31Å; L1204-L1740 HydrophobicContact CD1-CD1 4.43Å; C1422-L1740 HydrophobicContact CB-CD2 3.67Å; C1422-L1740 HydrophobicContact CB-CG 3.99Å; V1424-L1740 HydrophobicContact CG2-CD1 3.71Å; V1424-L1740 HydrophobicContact CG2-CD2 3.95Å; V1424-L1740 HydrophobicContact CG2-CG 4.1Å; F1736-L1740 HydrophobicContact CE1-CD2 4.3Å; F1736-L1740 HydrophobicContact CZ-CD2 4.28Å; F1736-L1740 PolarHBondContact O-N 2.84Å; Y1737-L1740 HydrophobicContact CD1-CD2 4.29Å; Y1737-L1740 WeakPolarHBondContact O-CB 3.3Å; Y1737-L1740 PolarHBondContact O-N 3.16Å
1741R81Confident84.5Confident29 Ų2936.3 Ų36.311%0.10917%0.169CC..THydrogen-bonded Turntrans-95.15.3176.5-68.3171.5170.9-139.9-9115S1716 Y1737 G1738 R1739 I1743 V1782 T1783S1716-R1741 PolarHBondContact OG-NH1 3.22Å; S1716-R1741 PolarHBondContact OG-NH2 2.71Å; Y1737-R1741 WeakPolarHBondContact O-CB 3.32Å; Y1737-R1741 VanDerWaalsContact O-CG 3.32Å; Y1737-R1741 WeakPolarHBondContact O-CG 3.44Å; Y1737-R1741 PolarHBondContact O-N 3.27Å; G1738-R1741 PolarHBondContact O-N 2.95Å; R1739-R1741 PolarHBondContact O-N 3.41Å; R1741-I1743 HydrophobicContact CB-CG1 4.45Å; R1741-V1782 PolarHBondContact NH1-O 2.93Å; R1741-T1783 PolarHBondContact NH1-O 3.13Å; R1741-T1783 PolarHBondContact NH2-O 2.85Å
1742G78.2Confident84Confident9 Ų938.2 Ų38.29%0.09318%0.175CC..THydrogen-bonded Turntrans73.224.217400000116.6I1191 T1192 G1738 R1739 R1744I1191-G1742 WeakPolarHBondContact CA-O 3.38Å; T1192-G1742 PolarHBondContact N-O 2.04Å; T1192-G1742 PolarHBondContact OG1-O 3.29Å; G1738-G1742 PolarHBondContact O-N 3.48Å; R1739-G1742 PolarHBondContact O-N 2.86Å; G1742-R1744 PolarHBondContact O-N 2.92Å
1743I78.4Confident83.7Confident15 Ų1537.3 Ų37.38%0.07717%0.171CC..BIsolated β-bridgetrans-70.7126.8-176.8-56.7171.1000111.8G1738 R1741 L1746 F1749 C1785G1738-I1743 WeakPolarHBondContact O-CG1 3.37Å; G1738-I1743 PolarHBondContact O-N 3.5Å; G1738-I1743 VanDerWaalsContact O-N 3.1Å; R1741-I1743 HydrophobicContact CB-CG1 4.45Å; I1743-L1746 HydrophobicContact CB-CD1 4.35Å; I1743-L1746 HydrophobicContact CD1-CD1 4.41Å; I1743-L1746 HydrophobicContact CG2-CD1 4.36Å; I1743-F1749 HydrophobicContact CD1-CD1 4.21Å; I1743-F1749 HydrophobicContact CD1-CE1 3.88Å; I1743-F1749 HydrophobicContact CD1-CZ 4.46Å; I1743-F1749 HydrophobicContact CG2-CD1 4.35Å; I1743-F1749 HydrophobicContact CG2-CG 4.33Å; I1743-C1785 HydrophobicContact CD1-CB 4.12Å; I1743-C1785 WeakPolarHBondContact CD1-O 3.3Å
1744R72.5Confident83.4Confident94 Ų9437.2 Ų37.236%0.35517%0.17SC..THydrogen-bonded Turntrans-75.5149.5168.4-63.1174.6169.6142.42.5110.3A1189 M1190 I1191 T1192 D1193 G1742 L1746A1189-R1744 PolarHBondContact O-NH1 2.91Å; M1190-R1744 WeakPolarHBondContact O-CB 3.48Å; M1190-R1744 PolarHBondContact O-N 3.05Å; I1191-R1744 PolarHBondContact O-NH1 3.45Å; T1192-R1744 HydrophobicContact CG2-CG 4.21Å; D1193-R1744 IonicContact OD2-CZ 3.07Å; D1193-R1744 IonicContact OD2-NH1 2.65Å; D1193-R1744 IonicContact OD2-NH2 3.65Å; D1193-R1744 PolarHBondContact OD2-NH2 3.36Å; G1742-R1744 PolarHBondContact O-N 2.92Å; R1744-L1746 PolarHBondContact O-N 3.38Å
1745D76.6Confident83.1Confident115 Ų11541.1 Ų41.162%0.61519%0.191SC*.THydrogen-bonded Turntrans52.737.8177.7-53-37.9000115.4D1747 Q1748 F1749D1745-D1747 PolarHBondContact O-N 2.95Å; D1745-Q1748 PolarHBondContact O-N 2.78Å; D1745-F1749 PolarHBondContact O-N 2.77Å; D1745-F1749 VanDerWaalsContact O-N 3.12Å
1746L81.7Confident82.7Confident11 Ų1141.1 Ų41.16%0.05820%0.197CC..Hα-helixtrans-53.7-29.6-171.8179.560.3000115.3R1735 R1739 I1743 R1744 F1749 L1750R1735-L1746 HydrophobicContact CB-CD2 4.43Å; R1735-L1746 HydrophobicContact CG-CD2 3.72Å; R1735-L1746 HydrophobicContact CG-CG 4.35Å; R1739-L1746 HydrophobicContact CG-CD2 3.41Å; R1739-L1746 VanDerWaalsContact CG-CD2 3.41Å; I1743-L1746 HydrophobicContact CB-CD1 4.35Å; I1743-L1746 HydrophobicContact CD1-CD1 4.41Å; I1743-L1746 HydrophobicContact CG2-CD1 4.36Å; R1744-L1746 PolarHBondContact O-N 3.38Å; L1746-F1749 HydrophobicContact CD1-CD1 4.19Å; L1746-F1749 PolarHBondContact O-N 3.01Å; L1746-L1750 WeakPolarHBondContact O-CB 3.49Å; L1746-L1750 PolarHBondContact O-N 3.31Å
1747D83Confident82.4Confident77 Ų7740.3 Ų40.341%0.41219%0.194SC..Hα-helixtrans-79.2-33-179.6-66.6-68.2000112.4R1735 D1745 F1749 L1750 D1751R1735-D1747 IonicContact CZ-OD1 3.49Å; R1735-D1747 IonicContact NE-OD1 3.52Å; R1735-D1747 PolarHBondContact NE-OD1 2.88Å; R1735-D1747 IonicContact NH2-OD1 3.94Å; R1735-D1747 PolarHBondContact NH2-OD1 2.83Å; D1745-D1747 PolarHBondContact O-N 2.95Å; D1747-F1749 VanDerWaalsContact C-N 3.31Å; D1747-L1750 PolarHBondContact O-N 3Å; D1747-D1751 PolarHBondContact O-N 3.31Å
1748Q81Confident82Confident134 Ų13443.3 Ų43.363%0.62621%0.208SC*.Hα-helixtrans-68.9-33.1167.3-63-175.18.800111.9D1745 R1752D1745-Q1748 PolarHBondContact O-N 2.78Å; Q1748-R1752 WeakPolarHBondContact O-CG 3.26Å; Q1748-R1752 PolarHBondContact O-N 3.27Å; Q1748-R1752 PolarHBondContact O-NE 3.46Å; Q1748-R1752 VanDerWaalsContact O-NE 3.09Å
1749F80.1Confident81.9Confident1 Ų143.3 Ų43.30%0.00421%0.208CC..Hα-helixtrans-70.2-41174.8-178.8-100.2000111.5V1184 A1186 I1743 D1745 L1746 D1747 D1751 R1752 V1753 C1785V1184-F1749 WeakPolarHBondContact O-CE2 3.48Å; V1184-F1749 WeakPolarHBondContact O-CZ 3.39Å; A1186-F1749 HydrophobicContact CB-CE2 4.12Å; A1186-F1749 HydrophobicContact CB-CZ 4.49Å; I1743-F1749 HydrophobicContact CD1-CD1 4.21Å; I1743-F1749 HydrophobicContact CD1-CE1 3.88Å; I1743-F1749 HydrophobicContact CD1-CZ 4.46Å; I1743-F1749 HydrophobicContact CG2-CD1 4.35Å; I1743-F1749 HydrophobicContact CG2-CG 4.33Å; D1745-F1749 PolarHBondContact O-N 2.77Å; D1745-F1749 VanDerWaalsContact O-N 3.12Å; L1746-F1749 HydrophobicContact CD1-CD1 4.19Å; L1746-F1749 PolarHBondContact O-N 3.01Å; D1747-F1749 VanDerWaalsContact C-N 3.31Å; F1749-D1751 PolarHBondContact O-N 2.75Å; F1749-R1752 WeakPolarHBondContact O-CB 3.4Å; F1749-R1752 PolarHBondContact O-N 2.88Å; F1749-V1753 HydrophobicContact CD1-CG2 4.06Å; F1749-V1753 HydrophobicContact CE1-CG2 3.64Å; F1749-V1753 HydrophobicContact CE2-CG2 4.33Å; F1749-V1753 HydrophobicContact CZ-CG2 3.79Å; F1749-V1753 WeakPolarHBondContact O-CG2 3.44Å; F1749-V1753 PolarHBondContact O-N 3.38Å; F1749-C1785 HydrophobicContact CE1-CB 3.96Å; F1749-C1785 HydrophobicContact CZ-CB 4.21Å; F1749-C1785 WeakPolarHBondContact CZ-O 3.27Å
1750L85.9Confident81.8Confident3 Ų344.4 Ų44.42%0.01621%0.212CC..Hα-helixtrans-57.3-48.3177.2169.562000112.3T1731 I1734 L1746 D1747 V1753 L1754T1731-L1750 HydrophobicContact CG2-CD1 4.32Å; T1731-L1750 HydrophobicContact CG2-CD2 4.09Å; I1734-L1750 HydrophobicContact CB-CD1 3.81Å; I1734-L1750 HydrophobicContact CD1-CD1 3.82Å; I1734-L1750 HydrophobicContact CG1-CD1 4.43Å; I1734-L1750 HydrophobicContact CG2-CD1 3.72Å; L1746-L1750 WeakPolarHBondContact O-CB 3.49Å; L1746-L1750 PolarHBondContact O-N 3.31Å; D1747-L1750 PolarHBondContact O-N 3Å; L1750-V1753 PolarHBondContact O-N 2.69Å; L1750-L1754 HydrophobicContact CD1-CD1 3.87Å; L1750-L1754 HydrophobicContact CD1-CG 4.02Å; L1750-L1754 HydrophobicContact CG-CD1 3.95Å; L1750-L1754 VanDerWaalsContact O-CG 3.29Å; L1750-L1754 WeakPolarHBondContact O-CG 3.18Å; L1750-L1754 PolarHBondContact O-N 2.98Å
1751D84.7Confident81.6Confident56 Ų5649.2 Ų49.230%0.29924%0.243SC..Hα-helixtrans-67.5-35.4179.2-80-29.6000112D1747 F1749 V1753 L1754 D1755 K1763D1747-D1751 PolarHBondContact O-N 3.31Å; F1749-D1751 PolarHBondContact O-N 2.75Å; D1751-V1753 PolarHBondContact O-N 3.17Å; D1751-L1754 PolarHBondContact O-N 2.96Å; D1751-D1755 WeakPolarHBondContact O-CB 3.2Å; D1751-D1755 PolarHBondContact O-N 2.88Å; D1751-K1763 IonicContact OD1-NZ 3.74Å; D1751-K1763 PolarHBondContact OD1-NZ 3.12Å; D1751-K1763 IonicContact OD2-NZ 2.72Å
1752R81Confident81.8Confident48 Ų4851.5 Ų51.518%0.18125%0.253CS..Hα-helixtrans-60.7-39.9170.3-76.3-179.1-82155.6-11113.1S1182 Q1748 F1749 T1756S1182-R1752 WeakPolarHBondContact O-CD 3.42Å; S1182-R1752 PolarHBondContact O-NH1 3.3Å; Q1748-R1752 WeakPolarHBondContact O-CG 3.26Å; Q1748-R1752 PolarHBondContact O-N 3.27Å; Q1748-R1752 PolarHBondContact O-NE 3.46Å; Q1748-R1752 VanDerWaalsContact O-NE 3.09Å; F1749-R1752 WeakPolarHBondContact O-CB 3.4Å; F1749-R1752 PolarHBondContact O-N 2.88Å; R1752-T1756 WeakPolarHBondContact O-CB 3.43Å; R1752-T1756 PolarHBondContact O-N 2.87Å; R1752-T1756 PolarHBondContact O-OG1 3.05Å
1753V84Confident82.2Confident0 Ų053.8 Ų53.80%026%0.26CS..Hα-helixtrans-68.3-43.1175.11730000111.1V1184 I1734 F1749 L1750 D1751 D1755 T1756 Y1757 A1781V1184-V1753 HydrophobicContact CG1-CG2 4.43Å; I1734-V1753 HydrophobicContact CD1-CG1 3.78Å; I1734-V1753 HydrophobicContact CG1-CG1 4.43Å; F1749-V1753 HydrophobicContact CD1-CG2 4.06Å; F1749-V1753 HydrophobicContact CE1-CG2 3.64Å; F1749-V1753 HydrophobicContact CE2-CG2 4.33Å; F1749-V1753 HydrophobicContact CZ-CG2 3.79Å; F1749-V1753 WeakPolarHBondContact O-CG2 3.44Å; F1749-V1753 PolarHBondContact O-N 3.38Å; L1750-V1753 PolarHBondContact O-N 2.69Å; D1751-V1753 PolarHBondContact O-N 3.17Å; V1753-D1755 PolarHBondContact O-N 3.41Å; V1753-T1756 PolarHBondContact O-N 3.34Å; V1753-Y1757 HydrophobicContact CG1-CD2 3.94Å; V1753-Y1757 HydrophobicContact CG1-CE2 4.18Å; V1753-Y1757 WeakPolarHBondContact O-CD2 3.5Å; V1753-Y1757 PolarHBondContact O-N 3.3Å; V1753-A1781 HydrophobicContact CG1-CB 3.9Å
1754L86.1Confident82.6Confident0 Ų058.6 Ų58.60%029%0.286CS..Hα-helixtrans-64.4-38.3179.1-73.2168.4000112.9T1730 T1731 I1734 L1750 D1751 L1759 R1760 K1763T1730-L1754 HydrophobicContact CG2-CD2 3.73Å; T1731-L1754 HydrophobicContact CG2-CD1 4.05Å; I1734-L1754 HydrophobicContact CD1-CD2 4.28Å; L1750-L1754 HydrophobicContact CD1-CD1 3.87Å; L1750-L1754 HydrophobicContact CD1-CG 4.02Å; L1750-L1754 HydrophobicContact CG-CD1 3.95Å; L1750-L1754 VanDerWaalsContact O-CG 3.29Å; L1750-L1754 WeakPolarHBondContact O-CG 3.18Å; L1750-L1754 PolarHBondContact O-N 2.98Å; D1751-L1754 PolarHBondContact O-N 2.96Å; L1754-L1759 HydrophobicContact CD2-CB 3.96Å; L1754-L1759 PolarHBondContact O-N 2.91Å; L1754-R1760 PolarHBondContact O-N 3.03Å; L1754-R1760 VanDerWaalsContact O-N 3.15Å; L1754-K1763 HydrophobicContact CD1-CD 3.8Å; L1754-K1763 HydrophobicContact CD1-CG 3.74Å
1755D83.4Confident83.3Confident82 Ų8256.3 Ų56.344%0.43928%0.282SS..Hα-helixtrans-69.9-47.9174.7-76-23.4000111.1D1751 V1753 Y1757 E1758 R1760D1751-D1755 WeakPolarHBondContact O-CB 3.2Å; D1751-D1755 PolarHBondContact O-N 2.88Å; V1753-D1755 PolarHBondContact O-N 3.41Å; D1755-Y1757 VanDerWaalsContact C-N 3.34Å; D1755-Y1757 PolarHBondContact O-N 3.1Å; D1755-E1758 PolarHBondContact O-N 3.02Å; D1755-E1758 VanDerWaalsContact O-N 3.15Å; D1755-R1760 WeakPolarHBondContact OD1-CD 3.37Å; D1755-R1760 IonicContact OD1-CZ 3.66Å; D1755-R1760 IonicContact OD1-NE 2.94Å; D1755-R1760 IonicContact OD1-NH1 2.75Å; D1755-R1760 PolarHBondContact OD1-NH1 3.44Å; D1755-R1760 IonicContact OD2-NH1 2.9Å; D1755-R1760 PolarHBondContact OD2-NH1 3.48Å
1756T81Confident83.8Confident57 Ų5753.2 Ų53.235%0.3526%0.264SS..Hα-helixtrans-63.5-34.8-174.4-53.40000113.8V1184 R1752 V1753V1184-T1756 VanDerWaalsContact CG2-CB 3.49Å; V1184-T1756 HydrophobicContact CG2-CG2 3.52Å; V1184-T1756 WeakPolarHBondContact CG2-OG1 3.02Å; R1752-T1756 WeakPolarHBondContact O-CB 3.43Å; R1752-T1756 PolarHBondContact O-N 2.87Å; R1752-T1756 PolarHBondContact O-OG1 3.05Å; V1753-T1756 PolarHBondContact O-N 3.34Å
1757Y82.8Confident84.1Confident0 Ų052.9 Ų52.90%026%0.262CS..THydrogen-bonded Turntrans-93.78.5178.2-69.5-74.4000114.3V1184 V1753 D1755 L1759 K1777 V1780 A1781 T1811V1184-Y1757 HydrophobicContact CG1-CE2 3.93Å; V1184-Y1757 HydrophobicContact CG2-CE2 4.36Å; V1753-Y1757 HydrophobicContact CG1-CD2 3.94Å; V1753-Y1757 HydrophobicContact CG1-CE2 4.18Å; V1753-Y1757 WeakPolarHBondContact O-CD2 3.5Å; V1753-Y1757 PolarHBondContact O-N 3.3Å; D1755-Y1757 VanDerWaalsContact C-N 3.34Å; D1755-Y1757 PolarHBondContact O-N 3.1Å; Y1757-L1759 PolarHBondContact O-N 2.63Å; Y1757-K1777 HydrophobicContact CD1-CB 4.46Å; Y1757-K1777 WeakPolarHBondContact O-CD 3.36Å; Y1757-K1777 WeakPolarHBondContact O-CE 3.04Å; Y1757-K1777 PolarHBondContact O-NZ 2.81Å; Y1757-V1780 HydrophobicContact CE1-CG1 4.31Å; Y1757-A1781 HydrophobicContact CD2-CB 3.55Å; Y1757-A1781 HydrophobicContact CE2-CB 3.3Å; Y1757-A1781 HydrophobicContact CG-CB 4.3Å; Y1757-T1811 WeakPolarHBondContact OH-CG2 3.34Å; Y1757-T1811 PolarHBondContact OH-OG1 3.23Å; Y1757-T1811 VanDerWaalsContact OH-OG1 3.12Å
1758E81.2Confident84Confident68 Ų6855.9 Ų55.932%0.31827%0.268SS..THydrogen-bonded Turntrans54.827.5-170-45.3171.1127.700113.5R891 D1755 P1761 K1777 M1807R891-E1758 IonicContact CZ-OE1 2.72Å; R891-E1758 VanDerWaalsContact NH2-CD 3.33Å; R891-E1758 IonicContact NH2-OE1 3.75Å; R891-E1758 PolarHBondContact NH2-OE1 3.43Å; R891-E1758 IonicContact NH2-OE2 3.49Å; R891-E1758 PolarHBondContact NH2-OE2 3.48Å; R891-E1758 VanDerWaalsContact NH2-OE2 3.14Å; D1755-E1758 PolarHBondContact O-N 3.02Å; D1755-E1758 VanDerWaalsContact O-N 3.15Å; E1758-P1761 VanDerWaalsContact O-CD 3.3Å; E1758-P1761 WeakPolarHBondContact O-CD 3.45Å; E1758-K1777 IonicContact OE2-NZ 3.42Å; E1758-K1777 PolarHBondContact OE2-NZ 2.9Å; E1758-M1807 HydrophobicContact CG-CE 3.71Å; E1758-M1807 HydrophobicContact CG-SD 4.18Å; E1758-M1807 WeakPolarHBondContact OE2-CE 3.46Å
1759L84.5Confident84.1Confident0 Ų054.4 Ų54.40%026%0.264CS..  trans-86.6-6.1-176.8-71.7177.1000113.2T1730 L1754 Y1757 P1761 Y1762 K1763 N1774 K1777 L1778T1730-L1759 HydrophobicContact CG2-CB 4.17Å; T1730-L1759 HydrophobicContact CG2-CD1 4.15Å; L1754-L1759 HydrophobicContact CD2-CB 3.96Å; L1754-L1759 PolarHBondContact O-N 2.91Å; Y1757-L1759 PolarHBondContact O-N 2.63Å; L1759-P1761 VanDerWaalsContact C-CD 3.49Å; L1759-Y1762 CarbonylContact O-C 3.54Å; L1759-Y1762 VanDerWaalsContact O-C 3.27Å; L1759-Y1762 VanDerWaalsContact O-CA 3.29Å; L1759-Y1762 WeakPolarHBondContact O-CA 3.39Å; L1759-Y1762 WeakPolarHBondContact O-CB 3.47Å; L1759-Y1762 PolarHBondContact O-N 3.31Å; L1759-K1763 PolarHBondContact O-N 2.95Å; L1759-K1763 VanDerWaalsContact O-N 3.16Å; L1759-N1774 HydrophobicContact CD2-CB 4.38Å; L1759-K1777 HydrophobicContact CD1-CB 4.39Å; L1759-K1777 HydrophobicContact CD2-CB 4.31Å; L1759-K1777 HydrophobicContact CD2-CD 4.45Å; L1759-L1778 HydrophobicContact CD1-CB 4.2Å; L1759-L1778 HydrophobicContact CD1-CD1 4.38Å
1760R84.6Confident84Confident133 Ų13354.6 Ų54.650%0.50227%0.265SS..G310 helixtrans-54.2-39.1177.5-168.9161.1-175154.24.6115.5L1754 D1755 Y1762 K1763L1754-R1760 PolarHBondContact O-N 3.03Å; L1754-R1760 VanDerWaalsContact O-N 3.15Å; D1755-R1760 WeakPolarHBondContact OD1-CD 3.37Å; D1755-R1760 IonicContact OD1-CZ 3.66Å; D1755-R1760 IonicContact OD1-NE 2.94Å; D1755-R1760 IonicContact OD1-NH1 2.75Å; D1755-R1760 PolarHBondContact OD1-NH1 3.44Å; D1755-R1760 IonicContact OD2-NH1 2.9Å; D1755-R1760 PolarHBondContact OD2-NH1 3.48Å; R1760-Y1762 PolarHBondContact O-N 3.31Å; R1760-Y1762 VanDerWaalsContact O-N 3.12Å; R1760-K1763 WeakPolarHBondContact O-CB 3.49Å; R1760-K1763 PolarHBondContact O-N 2.93Å
1761P81.9Confident83.4Confident101 Ų10157.4 Ų57.466%0.65629%0.285SS*.G310 helixtrans-66.1-10.1172-19.433.6000114E1758 L1759E1758-P1761 VanDerWaalsContact O-CD 3.3Å; E1758-P1761 WeakPolarHBondContact O-CD 3.45Å; L1759-P1761 VanDerWaalsContact C-CD 3.49Å
1762Y84.3Confident82.9Confident78 Ų7856.6 Ų56.631%0.30629%0.29SS..G310 helixtrans-119.614.9-177.7-55.8-82.3000112.2T1730 L1759 R1760 D1764 V1765 L1770 N1774T1730-Y1762 WeakPolarHBondContact CB-O 3.47Å; T1730-Y1762 PolarHBondContact OG1-O 3.1Å; L1759-Y1762 CarbonylContact O-C 3.54Å; L1759-Y1762 VanDerWaalsContact O-C 3.27Å; L1759-Y1762 VanDerWaalsContact O-CA 3.29Å; L1759-Y1762 WeakPolarHBondContact O-CA 3.39Å; L1759-Y1762 WeakPolarHBondContact O-CB 3.47Å; L1759-Y1762 PolarHBondContact O-N 3.31Å; R1760-Y1762 PolarHBondContact O-N 3.31Å; R1760-Y1762 VanDerWaalsContact O-N 3.12Å; Y1762-D1764 VanDerWaalsContact C-N 3.3Å; Y1762-D1764 PolarHBondContact O-N 3.06Å; Y1762-V1765 HydrophobicContact CD1-CG2 4.31Å; Y1762-V1765 PolarHBondContact O-N 2.85Å; Y1762-V1765 VanDerWaalsContact O-N 3.14Å; Y1762-L1770 HydrophobicContact CD1-CD2 3.9Å; Y1762-L1770 HydrophobicContact CG-CD2 4.05Å; Y1762-N1774 WeakPolarHBondContact CE2-ND2 3.42Å; Y1762-N1774 VanDerWaalsContact CZ-ND2 3.3Å
1763K87.3Confident82.6Confident57 Ų5754.6 Ų54.625%0.24828%0.284CS..THydrogen-bonded Turntrans-48.5-49.1-174.2-173.5168-177.6159.70112.4T1730 T1731 D1751 L1754 L1759 R1760T1730-K1763 WeakPolarHBondContact CB-O 3.41Å; T1731-K1763 HydrophobicContact CG2-CB 4.38Å; T1731-K1763 HydrophobicContact CG2-CD 4.11Å; T1731-K1763 HydrophobicContact CG2-CG 3.23Å; T1731-K1763 WeakPolarHBondContact CG2-O 3.46Å; T1731-K1763 PolarHBondContact N-O 3.43Å; T1731-K1763 VanDerWaalsContact N-O 3.17Å; D1751-K1763 IonicContact OD1-NZ 3.74Å; D1751-K1763 PolarHBondContact OD1-NZ 3.12Å; D1751-K1763 IonicContact OD2-NZ 2.72Å; L1754-K1763 HydrophobicContact CD1-CD 3.8Å; L1754-K1763 HydrophobicContact CD1-CG 3.74Å; L1759-K1763 PolarHBondContact O-N 2.95Å; L1759-K1763 VanDerWaalsContact O-N 3.16Å; R1760-K1763 WeakPolarHBondContact O-CB 3.49Å; R1760-K1763 PolarHBondContact O-N 2.93Å
1764D87.7Confident82.7Confident115 Ų11555.4 Ų55.462%0.61529%0.289SS*.THydrogen-bonded Turntrans-109.112.9-175.2-50.2-62.6000112.8T1729 Y1762T1729-D1764 WeakPolarHBondContact CG2-O 3.4Å; Y1762-D1764 VanDerWaalsContact C-N 3.3Å; Y1762-D1764 PolarHBondContact O-N 3.06Å
1765V86.2Confident82.6Confident46 Ų4659.4 Ų59.428%0.27930%0.304SS..  trans-81.1135174.81790000109.5T1729 T1730 Y1762 N1769 L1770T1729-V1765 WeakPolarHBondContact CA-O 3.34Å; T1730-V1765 PolarHBondContact N-O 2.86Å; Y1762-V1765 HydrophobicContact CD1-CG2 4.31Å; Y1762-V1765 PolarHBondContact O-N 2.85Å; Y1762-V1765 VanDerWaalsContact O-N 3.14Å; V1765-N1769 HydrophobicContact CG1-CB 3.89Å; V1765-L1770 HydrophobicContact CB-CD2 4.15Å; V1765-L1770 HydrophobicContact CG1-CD2 3.84Å
1766Q87.2Confident82.8Confident51 Ų5155.5 Ų55.524%0.23828%0.283CS..BIsolated β-bridgetrans-65.6141.3174.5-68.8176.2-8.500111.3L1728 R1768 N1769 L1770L1728-Q1766 WeakPolarHBondContact O-CA 3.26Å; Q1766-R1768 PolarHBondContact O-N 2.87Å; Q1766-R1768 VanDerWaalsContact O-N 3.15Å; Q1766-N1769 PolarHBondContact O-N 3.44Å; Q1766-L1770 PolarHBondContact O-N 2.96Å
1767V88Confident83.1Confident3 Ų353 Ų532%0.01827%0.267CS..G310 helixtrans-54-38.2-178.9172.70000112.6L1724 D1725 L1728 N1769 L1770 R1775 L1778L1724-V1767 HydrophobicContact CB-CG1 3.76Å; L1724-V1767 HydrophobicContact CD1-CG1 4.17Å; D1725-V1767 WeakPolarHBondContact O-CB 3.38Å; L1728-V1767 PolarHBondContact O-N 2.69Å; V1767-N1769 PolarHBondContact O-N 2.67Å; V1767-N1769 VanDerWaalsContact O-N 3.14Å; V1767-L1770 HydrophobicContact CG2-CD1 4.43Å; V1767-L1770 WeakPolarHBondContact O-CB 3.28Å; V1767-L1770 PolarHBondContact O-N 3.45Å; V1767-L1770 VanDerWaalsContact O-N 3.09Å; V1767-R1775 HydrophobicContact CG1-CG 4.41Å; V1767-R1775 PolarHBondContact O-NE 3.02Å; V1767-L1778 HydrophobicContact CG2-CD2 3.83Å
1768R82.1Confident83.5Confident140 Ų14053 Ų5353%0.52827%0.267SS..G310 helixtrans-55.7-28.7174.8-172.6-178.665.5-174.1-7.7113.9P1726 Q1766 R1775P1726-R1768 HydrophobicContact CB-CB 4.08Å; P1726-R1768 VanDerWaalsContact O-CB 3.27Å; P1726-R1768 WeakPolarHBondContact O-CB 3.29Å; P1726-R1768 PolarHBondContact O-N 3.33Å; Q1766-R1768 PolarHBondContact O-N 2.87Å; Q1766-R1768 VanDerWaalsContact O-N 3.15Å; R1768-R1775 PolarHBondContact O-NH2 3.18Å
1769N82.1Confident83.9Confident104 Ų10449.9 Ų49.956%0.55625%0.253SS*.G310 helixtrans-96.4-4.5-176.8-61.72.3000112.5V1765 Q1766 V1767V1765-N1769 HydrophobicContact CG1-CB 3.89Å; Q1766-N1769 PolarHBondContact O-N 3.44Å; V1767-N1769 PolarHBondContact O-N 2.67Å; V1767-N1769 VanDerWaalsContact O-N 3.14Å
1770L78.8Confident84.1Confident5 Ų550 Ų503%0.02625%0.253CS..SBendtrans-74.3146.3171.8-58.2179000111.2Y1762 V1765 Q1766 V1767 N1774 R1775 L1778Y1762-L1770 HydrophobicContact CD1-CD2 3.9Å; Y1762-L1770 HydrophobicContact CG-CD2 4.05Å; V1765-L1770 HydrophobicContact CB-CD2 4.15Å; V1765-L1770 HydrophobicContact CG1-CD2 3.84Å; Q1766-L1770 PolarHBondContact O-N 2.96Å; V1767-L1770 HydrophobicContact CG2-CD1 4.43Å; V1767-L1770 WeakPolarHBondContact O-CB 3.28Å; V1767-L1770 PolarHBondContact O-N 3.45Å; V1767-L1770 VanDerWaalsContact O-N 3.09Å; L1770-N1774 HydrophobicContact CB-CB 4.27Å; L1770-R1775 HydrophobicContact CB-CG 3.74Å; L1770-R1775 HydrophobicContact CD1-CG 4.46Å; L1770-R1775 PolarHBondContact O-NE 2.95Å; L1770-R1775 PolarHBondContact O-NH2 3.47Å; L1770-R1775 VanDerWaalsContact O-NH2 3.07Å; L1770-L1778 HydrophobicContact CD1-CD2 3.89Å
1771S72.7Confident84.3Confident61 Ų6143.6 Ų43.643%0.42723%0.229SC..  trans-68161.4169.458.10000112G1773 N1774 R1775S1771-G1773 PolarHBondContact O-N 3Å; S1771-N1774 PolarHBondContact O-N 3Å; S1771-N1774 VanDerWaalsContact O-N 3.1Å; S1771-N1774 WeakPolarHBondContact OG-CB 3.21Å; S1771-N1774 VanDerWaalsContact OG-CG 3.31Å; S1771-R1775 WeakPolarHBondContact O-CG 3.3Å; S1771-R1775 PolarHBondContact O-N 3.02Å
1772G73.7Confident84.6Confident39 Ų3938.9 Ų38.940%0.40220%0.199SC..Hα-helixtrans-50.8-57-179.700000113.3N1774 R1775 R1776G1772-N1774 VanDerWaalsContact C-N 3.31Å; G1772-N1774 PolarHBondContact O-N 3.33Å; G1772-R1775 WeakPolarHBondContact O-CB 3.25Å; G1772-R1775 PolarHBondContact O-N 3.24Å; G1772-R1775 VanDerWaalsContact O-N 3.1Å; G1772-R1776 PolarHBondContact O-N 2.79Å
1773G75.5Confident84.8Confident6 Ų635.2 Ų35.26%0.06218%0.184CC..Hα-helixtrans-59-34.6176.300000114.4S1771 R1776 K1777S1771-G1773 PolarHBondContact O-N 3Å; G1773-R1776 WeakPolarHBondContact O-CB 3.47Å; G1773-R1776 PolarHBondContact O-N 3.32Å; G1773-K1777 WeakPolarHBondContact O-CG 3.4Å; G1773-K1777 PolarHBondContact O-N 2.82Å
1774N84.8Confident84.6Confident17 Ų1732.5 Ų32.59%0.09117%0.172CC..Hα-helixtrans-73.7-31176-72.68.3000112.4L1759 Y1762 L1770 S1771 G1772 L1778L1759-N1774 HydrophobicContact CD2-CB 4.38Å; Y1762-N1774 WeakPolarHBondContact CE2-ND2 3.42Å; Y1762-N1774 VanDerWaalsContact CZ-ND2 3.3Å; L1770-N1774 HydrophobicContact CB-CB 4.27Å; S1771-N1774 PolarHBondContact O-N 3Å; S1771-N1774 VanDerWaalsContact O-N 3.1Å; S1771-N1774 WeakPolarHBondContact OG-CB 3.21Å; S1771-N1774 VanDerWaalsContact OG-CG 3.31Å; G1772-N1774 VanDerWaalsContact C-N 3.31Å; G1772-N1774 PolarHBondContact O-N 3.33Å; N1774-L1778 PolarHBondContact O-N 3.26Å; N1774-L1778 VanDerWaalsContact O-N 3.11Å
1775R85.6Confident84.2Confident84 Ų8427.1 Ų27.132%0.31714%0.143SC..Hα-helixtrans-67.2-39.7167.5-63.4-179.3-157.9-170.75.4110.9N1722 L1724 V1767 R1768 L1770 S1771 G1772 L1778 T1779N1722-R1775 HydrophobicContact CB-CB 4.34Å; L1724-R1775 HydrophobicContact CD1-CB 4.42Å; V1767-R1775 HydrophobicContact CG1-CG 4.41Å; V1767-R1775 PolarHBondContact O-NE 3.02Å; R1768-R1775 PolarHBondContact O-NH2 3.18Å; L1770-R1775 HydrophobicContact CB-CG 3.74Å; L1770-R1775 HydrophobicContact CD1-CG 4.46Å; L1770-R1775 PolarHBondContact O-NE 2.95Å; L1770-R1775 PolarHBondContact O-NH2 3.47Å; L1770-R1775 VanDerWaalsContact O-NH2 3.07Å; S1771-R1775 WeakPolarHBondContact O-CG 3.3Å; S1771-R1775 PolarHBondContact O-N 3.02Å; G1772-R1775 WeakPolarHBondContact O-CB 3.25Å; G1772-R1775 PolarHBondContact O-N 3.24Å; G1772-R1775 VanDerWaalsContact O-N 3.1Å; R1775-L1778 PolarHBondContact O-N 2.75Å; R1775-T1779 PolarHBondContact O-N 2.75Å; R1775-T1779 PolarHBondContact O-OG1 2.92Å; R1775-T1779 VanDerWaalsContact O-OG1 3.07Å
1776R86.9Confident83.4Confident1 Ų125 Ų250%0.00413%0.131CC..Hα-helixtrans-60-50.6175.5-157.880.4-172.9131.4-7111.3P1719 S1721 N1722 G1772 G1773 L1778 T1779 V1780 D1794 E1795 P1796 S1798 M1800P1719-R1776 VanDerWaalsContact O-CZ 3.28Å; P1719-R1776 PolarHBondContact O-NH1 3.09Å; P1719-R1776 PolarHBondContact O-NH2 3.41Å; S1721-R1776 PolarHBondContact O-NH1 3.32Å; S1721-R1776 VanDerWaalsContact O-NH1 3.08Å; N1722-R1776 PolarHBondContact OD1-NH1 3.15Å; G1772-R1776 PolarHBondContact O-N 2.79Å; G1773-R1776 WeakPolarHBondContact O-CB 3.47Å; G1773-R1776 PolarHBondContact O-N 3.32Å; R1776-L1778 VanDerWaalsContact C-N 3.29Å; R1776-L1778 PolarHBondContact O-N 3.02Å; R1776-T1779 PolarHBondContact O-N 2.97Å; R1776-T1779 VanDerWaalsContact O-N 3.13Å; R1776-V1780 WeakPolarHBondContact O-CG2 3.38Å; R1776-V1780 PolarHBondContact O-N 3.39Å; R1776-D1794 PolarHBondContact NH2-O 3.18Å; R1776-E1795 PolarHBondContact NE-O 2.94Å; R1776-E1795 PolarHBondContact NH2-O 3.12Å; R1776-P1796 VanDerWaalsContact CG-O 3.27Å; R1776-P1796 WeakPolarHBondContact CG-O 3.47Å; R1776-P1796 PolarHBondContact NE-O 3.17Å; R1776-S1798 WeakPolarHBondContact CG-O 3.28Å; R1776-S1798 PolarHBondContact NE-OG 3.14Å; R1776-S1798 VanDerWaalsContact NE-OG 3.08Å; R1776-M1800 HydrophobicContact CB-CG 4.05Å; R1776-M1800 HydrophobicContact CB-SD 4.11Å; R1776-M1800 HydrophobicContact CG-CG 4.03Å; R1776-M1800 HydrophobicContact CG-SD 3.87Å
1777K87.6Confident82.8Confident5 Ų524.9 Ų24.92%0.02214%0.135CC..Hα-helixtrans-48.6-49.1170.9-77.1177.2160.3-161.80111.9Y1757 E1758 L1759 G1773 V1780 A1781 M1800 T1804Y1757-K1777 HydrophobicContact CD1-CB 4.46Å; Y1757-K1777 WeakPolarHBondContact O-CD 3.36Å; Y1757-K1777 WeakPolarHBondContact O-CE 3.04Å; Y1757-K1777 PolarHBondContact O-NZ 2.81Å; E1758-K1777 IonicContact OE2-NZ 3.42Å; E1758-K1777 PolarHBondContact OE2-NZ 2.9Å; L1759-K1777 HydrophobicContact CD1-CB 4.39Å; L1759-K1777 HydrophobicContact CD2-CB 4.31Å; L1759-K1777 HydrophobicContact CD2-CD 4.45Å; G1773-K1777 WeakPolarHBondContact O-CG 3.4Å; G1773-K1777 PolarHBondContact O-N 2.82Å; K1777-V1780 PolarHBondContact O-N 2.97Å; K1777-A1781 VanDerWaalsContact O-CB 3.28Å; K1777-A1781 WeakPolarHBondContact O-CB 3.26Å; K1777-A1781 PolarHBondContact O-N 2.83Å; K1777-M1800 HydrophobicContact CG-CE 3.69Å; K1777-T1804 VanDerWaalsContact CE-CG2 3.47Å
1778L90.1Very high82.3Confident0 Ų025.5 Ų25.50%014%0.139CC..Hα-helixtrans-67.2-39179.7-178.554.8000113.1L1724 T1730 C1733 I1734 L1759 V1767 L1770 N1774 R1775 R1776 A1781 V1782L1724-L1778 HydrophobicContact CD1-CB 4.05Å; L1724-L1778 HydrophobicContact CD1-CD2 3.99Å; L1724-L1778 HydrophobicContact CD1-CG 3.89Å; L1724-L1778 HydrophobicContact CD2-CG 4.41Å; T1730-L1778 HydrophobicContact CG2-CD1 4.05Å; T1730-L1778 HydrophobicContact CG2-CD2 4.28Å; C1733-L1778 HydrophobicContact CB-CD2 4.48Å; I1734-L1778 HydrophobicContact CD1-CD1 3.97Å; I1734-L1778 HydrophobicContact CG1-CD1 3.72Å; L1759-L1778 HydrophobicContact CD1-CB 4.2Å; L1759-L1778 HydrophobicContact CD1-CD1 4.38Å; V1767-L1778 HydrophobicContact CG2-CD2 3.83Å; L1770-L1778 HydrophobicContact CD1-CD2 3.89Å; N1774-L1778 PolarHBondContact O-N 3.26Å; N1774-L1778 VanDerWaalsContact O-N 3.11Å; R1775-L1778 PolarHBondContact O-N 2.75Å; R1776-L1778 VanDerWaalsContact C-N 3.29Å; R1776-L1778 PolarHBondContact O-N 3.02Å; L1778-A1781 PolarHBondContact O-N 2.96Å; L1778-V1782 HydrophobicContact CD1-CG2 4.15Å; L1778-V1782 WeakPolarHBondContact O-CB 3.44Å; L1778-V1782 WeakPolarHBondContact O-CG2 3.35Å; L1778-V1782 PolarHBondContact O-N 3.32Å
1779T90.2Very high82.2Confident2 Ų219.6 Ų19.61%0.01212%0.119CC..Hα-helixtrans-62.1-47.4173.6-59.20000111.5N1722 L1724 R1775 R1776 V1782 T1783N1722-T1779 WeakPolarHBondContact CB-OG1 3.34Å; N1722-T1779 WeakPolarHBondContact OD1-CB 3.39Å; N1722-T1779 PolarHBondContact OD1-OG1 2.75Å; L1724-T1779 WeakPolarHBondContact CD1-OG1 3.49Å; R1775-T1779 PolarHBondContact O-N 2.75Å; R1775-T1779 PolarHBondContact O-OG1 2.92Å; R1775-T1779 VanDerWaalsContact O-OG1 3.07Å; R1776-T1779 PolarHBondContact O-N 2.97Å; R1776-T1779 VanDerWaalsContact O-N 3.13Å; T1779-V1782 PolarHBondContact O-N 3.3Å; T1779-T1783 WeakPolarHBondContact O-CB 3.5Å; T1779-T1783 PolarHBondContact O-N 2.98Å; T1779-T1783 PolarHBondContact O-OG1 2.83Å
1780V89.6Confident82.5Confident1 Ų114.7 Ų14.71%0.0069%0.093CC..Hα-helixtrans-62.1-46.7177.4173.70000110.1Y1757 R1776 K1777 V1782 T1783 C1784 P1796 V1808Y1757-V1780 HydrophobicContact CE1-CG1 4.31Å; R1776-V1780 WeakPolarHBondContact O-CG2 3.38Å; R1776-V1780 PolarHBondContact O-N 3.39Å; K1777-V1780 PolarHBondContact O-N 2.97Å; V1780-V1782 PolarHBondContact O-N 3.34Å; V1780-T1783 WeakPolarHBondContact O-CB 3.28Å; V1780-T1783 PolarHBondContact O-N 3.11Å; V1780-C1784 PolarHBondContact O-N 3.42Å; V1780-C1784 PolarHBondContact O-SG 3.5Å; V1780-P1796 HydrophobicContact CG2-CB 4.15Å; V1780-V1808 HydrophobicContact CG1-CG1 4.15Å; V1780-V1808 HydrophobicContact CG1-CG2 4.3Å
1781A88.5Confident83Confident0 Ų014.5 Ų14.50%09%0.092CC..Hα-helixtrans-53.4-57.1175.500000111.8V1753 Y1757 K1777 L1778 T1783 C1784 C1785V1753-A1781 HydrophobicContact CG1-CB 3.9Å; Y1757-A1781 HydrophobicContact CD2-CB 3.55Å; Y1757-A1781 HydrophobicContact CE2-CB 3.3Å; Y1757-A1781 HydrophobicContact CG-CB 4.3Å; K1777-A1781 VanDerWaalsContact O-CB 3.28Å; K1777-A1781 WeakPolarHBondContact O-CB 3.26Å; K1777-A1781 PolarHBondContact O-N 2.83Å; L1778-A1781 PolarHBondContact O-N 2.96Å; A1781-T1783 PolarHBondContact O-N 2.69Å; A1781-C1784 PolarHBondContact O-N 2.92Å; A1781-C1785 PolarHBondContact O-N 3.32Å; A1781-C1785 VanDerWaalsContact O-N 3.13Å; A1781-C1785 PolarHBondContact O-SG 2.86Å
1782V88Confident84Confident2 Ų211.6 Ų11.61%0.0127%0.071CC..Hα-helixtrans-55.4-39.9178.4161.60000111.9I1734 Y1737 R1741 L1778 T1779 V1780I1734-V1782 HydrophobicContact CG1-CG2 4.4Å; Y1737-V1782 HydrophobicContact CD1-CG1 4.31Å; Y1737-V1782 HydrophobicContact CD2-CB 4.38Å; Y1737-V1782 HydrophobicContact CD2-CG1 3.34Å; Y1737-V1782 HydrophobicContact CD2-CG2 4.08Å; Y1737-V1782 HydrophobicContact CE2-CG1 3.82Å; Y1737-V1782 HydrophobicContact CG-CG1 3.61Å; R1741-V1782 PolarHBondContact NH1-O 2.93Å; L1778-V1782 HydrophobicContact CD1-CG2 4.15Å; L1778-V1782 WeakPolarHBondContact O-CB 3.44Å; L1778-V1782 WeakPolarHBondContact O-CG2 3.35Å; L1778-V1782 PolarHBondContact O-N 3.32Å; T1779-V1782 PolarHBondContact O-N 3.3Å; V1780-V1782 PolarHBondContact O-N 3.34Å
1783T87.6Confident84.8Confident1 Ų19.8 Ų9.81%0.0065%0.052CC..Hα-helixtrans-66.5-38.6177.5-56.50000112.1S1716 Y1717 C1718 R1741 T1779 V1780 A1781 V1791S1716-T1783 WeakPolarHBondContact CB-O 3.45Å; S1716-T1783 PolarHBondContact OG-O 3.41Å; Y1717-T1783 VanDerWaalsContact C-CG2 3.43Å; Y1717-T1783 PolarHBondContact O-OG1 3.1Å; C1718-T1783 HydrophobicContact CB-CG2 3.87Å; R1741-T1783 PolarHBondContact NH1-O 3.13Å; R1741-T1783 PolarHBondContact NH2-O 2.85Å; T1779-T1783 WeakPolarHBondContact O-CB 3.5Å; T1779-T1783 PolarHBondContact O-N 2.98Å; T1779-T1783 PolarHBondContact O-OG1 2.83Å; V1780-T1783 WeakPolarHBondContact O-CB 3.28Å; V1780-T1783 PolarHBondContact O-N 3.11Å; A1781-T1783 PolarHBondContact O-N 2.69Å; T1783-V1791 HydrophobicContact CG2-CG1 4.13Å
1784C84.1Confident85.4Confident0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-79.1-21.2-176.8-61.70000113.9V1184 V1780 A1781 G1786 T1811 R1820V1184-C1784 HydrophobicContact CG1-CB 4.47Å; V1780-C1784 PolarHBondContact O-N 3.42Å; V1780-C1784 PolarHBondContact O-SG 3.5Å; A1781-C1784 PolarHBondContact O-N 2.92Å; C1784-G1786 VanDerWaalsContact C-N 3.27Å; C1784-G1786 PolarHBondContact O-N 2.88Å; C1784-T1811 HydrophobicContact CB-CG2 3.87Å; C1784-R1820 PolarHBondContact O-NH1 2.88Å
1785C78.1Confident85.4Confident1 Ų19.2 Ų9.21%0.0075%0.048CC..SBendtrans-54.6-18-163.8-81.50000118.4I1743 F1749 A1781I1743-C1785 HydrophobicContact CD1-CB 4.12Å; I1743-C1785 WeakPolarHBondContact CD1-O 3.3Å; F1749-C1785 HydrophobicContact CE1-CB 3.96Å; F1749-C1785 HydrophobicContact CZ-CB 4.21Å; F1749-C1785 WeakPolarHBondContact CZ-O 3.27Å; A1781-C1785 PolarHBondContact O-N 3.32Å; A1781-C1785 VanDerWaalsContact O-N 3.13Å; A1781-C1785 PolarHBondContact O-SG 2.86Å
1786G71.4Confident85.4Confident1 Ų15.3 Ų5.31%0.013%0.033CC..SBendtrans-145.3164.2-171.800000114.2C1784 T1788 R1820C1784-G1786 VanDerWaalsContact C-N 3.27Å; C1784-G1786 PolarHBondContact O-N 2.88Å; G1786-T1788 VanDerWaalsContact C-N 3.33Å; G1786-T1788 PolarHBondContact O-N 2.87Å; G1786-R1820 PolarHBondContact O-NH1 3.47Å; G1786-R1820 PolarHBondContact O-NH2 3.17Å
1787C72.5Confident85.2Confident49 Ų495.6 Ų5.633%0.3314%0.035SC..  trans-75.873.3-175-63.30000113.6A1186 I1191 R1820A1186-C1787 PolarHBondContact O-SG 3.47Å; I1191-C1787 HydrophobicContact CD1-CB 3.59Å; I1191-C1787 VanDerWaalsContact CD1-N 3.27Å; I1191-C1787 VanDerWaalsContact CD1-SG 3.56Å; C1787-R1820 PolarHBondContact SG-NH2 3.18Å
1788T78.6Confident84.3Confident16 Ų166.8 Ų6.810%0.0984%0.044CC..  trans-85.1128.8152.6540000108.2G1714 S1716 G1786 T1790G1714-T1788 VanDerWaalsContact O-CB 3.27Å; G1714-T1788 WeakPolarHBondContact O-CB 3.38Å; G1714-T1788 WeakPolarHBondContact O-CG2 3.29Å; S1716-T1788 WeakPolarHBondContact CB-OG1 3.43Å; S1716-T1788 PolarHBondContact N-OG1 3.13Å; S1716-T1788 WeakPolarHBondContact OG-CG2 3.39Å; S1716-T1788 PolarHBondContact OG-OG1 3.21Å; G1786-T1788 VanDerWaalsContact C-N 3.33Å; G1786-T1788 PolarHBondContact O-N 2.87Å; T1788-T1790 WeakPolarHBondContact CB-O 3.48Å; T1788-T1790 PolarHBondContact O-N 3.14Å; T1788-T1790 PolarHBondContact OG1-O 3.12Å; T1788-T1790 VanDerWaalsContact OG1-O 3.12Å
1789P79.8Confident83.3Confident17 Ų1710 Ų1011%0.116%0.061CC..SBendtrans-65.1-20.3177.727-34.5000112.2Q1712 A1821Q1712-P1789 HydrophobicContact CB-CG 3.93Å; Q1712-P1789 HydrophobicContact CG-CG 4.2Å; P1789-A1821 PolarHBondContact O-N 3.09Å
1790T88Confident82.5Confident1 Ų110 Ų101%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-120131.9178.857.90000110.8A1650 V1651 F1710 S1716 T1788 A1821A1650-T1790 HydrophobicContact CB-CG2 3.88Å; V1651-T1790 HydrophobicContact CG2-CG2 3.5Å; V1651-T1790 VanDerWaalsContact CG2-CG2 3.5Å; F1710-T1790 HydrophobicContact CD1-CG2 4.44Å; S1716-T1790 PolarHBondContact N-O 3Å; T1788-T1790 WeakPolarHBondContact CB-O 3.48Å; T1788-T1790 PolarHBondContact O-N 3.14Å; T1788-T1790 PolarHBondContact OG1-O 3.12Å; T1788-T1790 VanDerWaalsContact OG1-O 3.12Å; T1790-A1821 CarbonylContact C-O 3.51Å; T1790-A1821 WeakPolarHBondContact CA-O 3.39Å; T1790-A1821 HydrophobicContact CG2-CB 4.45Å
1791V90.5Very high81.6Confident0 Ų010.1 Ų10.10%06%0.062CC..EExtended strand (participates in β ladder)trans-128.8111.3179.2-172.60000109.4T1783 M1793 L1815 A1821 V1822 V1823T1783-V1791 HydrophobicContact CG2-CG1 4.13Å; V1791-M1793 HydrophobicContact CG1-CE 3.6Å; V1791-M1793 HydrophobicContact CG1-CG 4.16Å; V1791-L1815 HydrophobicContact CG1-CD1 4.49Å; V1791-A1821 PolarHBondContact N-O 3.26Å; V1791-V1822 HydrophobicContact CB-CG2 4.5Å; V1791-V1822 CarbonylContact O-C 3.48Å; V1791-V1822 WeakPolarHBondContact O-CA 3.43Å; V1791-V1823 PolarHBondContact O-N 3.26Å
1792L92.1Very high80.7Confident0 Ų011.6 Ų11.60%07%0.072CC..EExtended strand (participates in β ladder)trans-92.1126.3176.3-50.9-178.5000109.2F1694 L1697 T1698 I1715 S1716 Y1717 C1718 V1823F1694-L1792 HydrophobicContact CD1-CB 4.17Å; F1694-L1792 HydrophobicContact CE1-CB 3.88Å; L1697-L1792 HydrophobicContact CB-CD1 3.84Å; L1697-L1792 HydrophobicContact CD1-CD1 4.49Å; L1697-L1792 HydrophobicContact CD1-CD2 4.15Å; T1698-L1792 HydrophobicContact CG2-CD1 3.65Å; I1715-L1792 HydrophobicContact CG2-CD1 3.69Å; I1715-L1792 HydrophobicContact CG2-CG 3.74Å; S1716-L1792 PolarHBondContact O-N 3.17Å; Y1717-L1792 CarbonylContact C-O 3.5Å; Y1717-L1792 WeakPolarHBondContact CA-O 3.5Å; Y1717-L1792 HydrophobicContact CD2-CB 3.95Å; C1718-L1792 PolarHBondContact N-O 3.27Å; L1792-V1823 HydrophobicContact CD2-CB 3.64Å; L1792-V1823 HydrophobicContact CD2-CG1 4.35Å; L1792-V1823 HydrophobicContact CD2-CG2 3.78Å
1793M91.1Very high79.8Confident1 Ų112.8 Ų12.81%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-125.9110.8175.8-59.1-165.8-17200110.7C1718 V1791 P1796 I1812 L1815 V1823 L1824 T1825C1718-M1793 HydrophobicContact CB-CG 4.34Å; V1791-M1793 HydrophobicContact CG1-CE 3.6Å; V1791-M1793 HydrophobicContact CG1-CG 4.16Å; M1793-P1796 HydrophobicContact CB-CB 4.14Å; M1793-P1796 HydrophobicContact CB-CG 3.9Å; M1793-P1796 HydrophobicContact SD-CB 4.08Å; M1793-P1796 HydrophobicContact SD-CG 4.13Å; M1793-I1812 HydrophobicContact CE-CG1 4.03Å; M1793-I1812 HydrophobicContact SD-CD1 3.96Å; M1793-I1812 HydrophobicContact SD-CG1 4.14Å; M1793-L1815 HydrophobicContact CE-CD1 3.7Å; M1793-V1823 PolarHBondContact N-O 2.81Å; M1793-L1824 HydrophobicContact CB-CD1 3.95Å; M1793-L1824 WeakPolarHBondContact O-CA 3.49Å; M1793-T1825 PolarHBondContact O-N 2.87Å
1794D88.6Confident79.2Confident4 Ų413 Ų132%0.0218%0.08CC..EExtended strand (participates in β ladder)trans-94.7104.3174.2-160.929.4000109.2S1691 F1694 Y1717 C1718 P1719 R1776 T1825S1691-D1794 PolarHBondContact OG-OD2 3.04Å; F1694-D1794 HydrophobicContact CD1-CB 3.94Å; F1694-D1794 HydrophobicContact CE1-CB 4.13Å; Y1717-D1794 HydrophobicContact CE2-CB 4.12Å; C1718-D1794 PolarHBondContact O-N 3.1Å; P1719-D1794 CarbonylContact C-O 3.57Å; R1776-D1794 PolarHBondContact NH2-O 3.18Å; D1794-T1825 VanDerWaalsContact CA-OG1 3.23Å; D1794-T1825 WeakPolarHBondContact CA-OG1 3.49Å; D1794-T1825 PolarHBondContact OD1-OG1 2.72Å
1795E84.3Confident78.9Confident7 Ų714.3 Ų14.33%0.0339%0.085CC..SBendtrans53.154.3179.4-54.1-67.8150.500114.2K1690 R1776 T1797 S1798 T1825 S1826 H1827K1690-E1795 IonicContact NZ-OE1 3.94Å; K1690-E1795 PolarHBondContact NZ-OE1 3.38Å; R1776-E1795 PolarHBondContact NE-O 2.94Å; R1776-E1795 PolarHBondContact NH2-O 3.12Å; E1795-T1797 VanDerWaalsContact C-N 3.25Å; E1795-T1797 PolarHBondContact O-N 2.85Å; E1795-T1797 VanDerWaalsContact O-N 3.17Å; E1795-S1798 PolarHBondContact O-N 2.98Å; E1795-S1798 PolarHBondContact O-OG 2.77Å; E1795-S1798 VanDerWaalsContact O-OG 3.08Å; E1795-T1825 WeakPolarHBondContact CA-O 3.41Å; E1795-T1825 PolarHBondContact N-O 3.17Å; E1795-T1825 VanDerWaalsContact N-O 3.16Å; E1795-T1825 PolarHBondContact N-OG1 3.34Å; E1795-T1825 PolarHBondContact OE1-OG1 3.33Å; E1795-S1826 WeakPolarHBondContact OE1-CA 3.39Å; E1795-S1826 PolarHBondContact OE1-N 3.26Å; E1795-S1826 VanDerWaalsContact OE2-C 3.29Å; E1795-S1826 VanDerWaalsContact OE2-CA 3.23Å; E1795-S1826 WeakPolarHBondContact OE2-CA 3.42Å; E1795-H1827 IonicContact OE1-CD2 2.65Å; E1795-H1827 IonicContact OE1-CE1 2.68Å; E1795-H1827 IonicContact OE1-CG 3.84Å; E1795-H1827 PolarHBondContact OE1-N 2.98Å; E1795-H1827 IonicContact OE1-ND1 2.86Å; E1795-H1827 IonicContact OE1-NE2 2.66Å; E1795-H1827 IonicContact OE2-CD2 3.19Å; E1795-H1827 PolarHBondContact OE2-CD2 2.66Å; E1795-H1827 IonicContact OE2-CG 3.59Å; E1795-H1827 PolarHBondContact OE2-N 3.17Å; E1795-H1827 IonicContact OE2-NE2 2.73Å
1796P85.7Confident78.8Confident2 Ų217 Ų171%0.01310%0.099CC..THydrogen-bonded Turntrans-64.2-24.3-168.927.1-35.6000114.8R1776 V1780 M1793 V1808 L1824 T1825R1776-P1796 VanDerWaalsContact CG-O 3.27Å; R1776-P1796 WeakPolarHBondContact CG-O 3.47Å; R1776-P1796 PolarHBondContact NE-O 3.17Å; V1780-P1796 HydrophobicContact CG2-CB 4.15Å; M1793-P1796 HydrophobicContact CB-CB 4.14Å; M1793-P1796 HydrophobicContact CB-CG 3.9Å; M1793-P1796 HydrophobicContact SD-CB 4.08Å; M1793-P1796 HydrophobicContact SD-CG 4.13Å; P1796-V1808 HydrophobicContact CB-CG1 4.43Å; P1796-L1824 VanDerWaalsContact CD-CD1 3.44Å; P1796-L1824 HydrophobicContact CG-CD1 3.42Å; P1796-L1824 VanDerWaalsContact CG-CD1 3.42Å; P1796-T1825 WeakPolarHBondContact CD-O 3.42Å
1797T82Confident79.2Confident7 Ų718.3 Ų18.34%0.04311%0.105CC..THydrogen-bonded Turntrans-90.5-0.5-176.447.30000114.3E1795 M1800 R1805 Y1809 E1831E1795-T1797 VanDerWaalsContact C-N 3.25Å; E1795-T1797 PolarHBondContact O-N 2.85Å; E1795-T1797 VanDerWaalsContact O-N 3.17Å; T1797-M1800 WeakPolarHBondContact O-CB 3.48Å; T1797-M1800 PolarHBondContact O-N 3.19Å; T1797-R1805 HydrophobicContact CG2-CB 4.25Å; T1797-R1805 HydrophobicContact CG2-CG 4.12Å; T1797-Y1809 HydrophobicContact CG2-CE1 4.08Å; T1797-E1831 WeakPolarHBondContact CB-OE1 3.45Å; T1797-E1831 WeakPolarHBondContact CB-OE2 3.41Å; T1797-E1831 VanDerWaalsContact OG1-CD 3.25Å; T1797-E1831 PolarHBondContact OG1-OE1 2.96Å; T1797-E1831 PolarHBondContact OG1-OE2 3.43Å
1798S70.3Confident79.7Confident31 Ų3116 Ų1622%0.2179%0.09CC..THydrogen-bonded Turntrans-58.1140.117760.70000112R1776 E1795 M1800R1776-S1798 WeakPolarHBondContact CG-O 3.28Å; R1776-S1798 PolarHBondContact NE-OG 3.14Å; R1776-S1798 VanDerWaalsContact NE-OG 3.08Å; E1795-S1798 PolarHBondContact O-N 2.98Å; E1795-S1798 PolarHBondContact O-OG 2.77Å; E1795-S1798 VanDerWaalsContact O-OG 3.08Å; S1798-M1800 PolarHBondContact O-N 3.25Å
1799D67.4Low80.1Confident67 Ų6716.7 Ų16.736%0.3589%0.091SC..THydrogen-bonded Turntrans58.112.4-175.1-51.7-37.9000116N892 N1012N892-D1799 PolarHBondContact ND2-O 3.04Å; N1012-D1799 PolarHBondContact ND2-OD1 3.45Å
1800M74.4Confident80.2Confident2 Ų217.6 Ų17.61%0.0110%0.099CC..  trans-98133.3175.1-60.7-172.560.900111.5R1776 K1777 T1797 S1798 T1804 R1805 V1808R1776-M1800 HydrophobicContact CB-CG 4.05Å; R1776-M1800 HydrophobicContact CB-SD 4.11Å; R1776-M1800 HydrophobicContact CG-CG 4.03Å; R1776-M1800 HydrophobicContact CG-SD 3.87Å; K1777-M1800 HydrophobicContact CG-CE 3.69Å; T1797-M1800 WeakPolarHBondContact O-CB 3.48Å; T1797-M1800 PolarHBondContact O-N 3.19Å; S1798-M1800 PolarHBondContact O-N 3.25Å; M1800-T1804 WeakPolarHBondContact CE-O 3.11Å; M1800-R1805 HydrophobicContact CB-CG 3.98Å; M1800-R1805 PolarHBondContact O-NE 3.33Å; M1800-R1805 PolarHBondContact O-NH2 2.91Å; M1800-V1808 HydrophobicContact CE-CG2 3.63Å; M1800-V1808 HydrophobicContact SD-CG2 3.85Å
1801D71.1Confident80Confident4 Ų417.5 Ų17.52%0.02110%0.099CC..  trans-74.3149.217353.3-38.2000111R891 N892 V1803 T1804 R1805R891-D1801 VanDerWaalsContact CA-OD2 3.32Å; R891-D1801 WeakPolarHBondContact CA-OD2 3.34Å; R891-D1801 WeakPolarHBondContact CB-OD2 3.48Å; N892-D1801 PolarHBondContact N-OD2 3.19Å; N892-D1801 PolarHBondContact ND2-N 3.46Å; N892-D1801 PolarHBondContact ND2-OD1 3.34Å; D1801-V1803 VanDerWaalsContact C-N 3.33Å; D1801-V1803 PolarHBondContact O-N 3.07Å; D1801-V1803 VanDerWaalsContact O-N 3.13Å; D1801-T1804 PolarHBondContact N-OG1 3.33Å; D1801-T1804 PolarHBondContact O-N 2.63Å; D1801-T1804 PolarHBondContact O-OG1 3.41Å; D1801-T1804 VanDerWaalsContact OD1-CG2 3.28Å; D1801-T1804 WeakPolarHBondContact OD1-CG2 3.45Å; D1801-T1804 PolarHBondContact OD1-OG1 3.08Å; D1801-R1805 PolarHBondContact O-N 3.06Å
1802P69.9Low79.9Confident31 Ų3117.6 Ų17.620%0.20110%0.099CC..Hα-helixtrans-49.2-48.5-167.6-31.335.9000114.6M1042 T1804 R1805 D1806M1042-P1802 HydrophobicContact SD-CG 4.09Å; P1802-T1804 PolarHBondContact O-N 3.18Å; P1802-R1805 WeakPolarHBondContact O-CB 3.35Å; P1802-R1805 PolarHBondContact O-N 2.99Å; P1802-D1806 PolarHBondContact O-N 3.16Å
1803V68.9Low79.6Confident26 Ų2622 Ų2216%0.15812%0.12CC..Hα-helixtrans-55.5-26.6177.9-177.70000113.5F1162 N1166 D1801F1162-V1803 HydrophobicContact CE1-CG2 4.17Å; N1166-V1803 HydrophobicContact CB-CG2 4.31Å; D1801-V1803 VanDerWaalsContact C-N 3.33Å; D1801-V1803 PolarHBondContact O-N 3.07Å; D1801-V1803 VanDerWaalsContact O-N 3.13Å
1804T74.6Confident79.2Confident5 Ų524.3 Ų24.33%0.03113%0.131CC..Hα-helixtrans-93.9-14.8177.266.80000113.4K1777 M1800 D1801 P1802 M1807K1777-T1804 VanDerWaalsContact CE-CG2 3.47Å; M1800-T1804 WeakPolarHBondContact CE-O 3.11Å; D1801-T1804 PolarHBondContact N-OG1 3.33Å; D1801-T1804 PolarHBondContact O-N 2.63Å; D1801-T1804 PolarHBondContact O-OG1 3.41Å; D1801-T1804 VanDerWaalsContact OD1-CG2 3.28Å; D1801-T1804 WeakPolarHBondContact OD1-CG2 3.45Å; D1801-T1804 PolarHBondContact OD1-OG1 3.08Å; P1802-T1804 PolarHBondContact O-N 3.18Å; T1804-M1807 HydrophobicContact CG2-CE 4.09Å; T1804-M1807 HydrophobicContact CG2-SD 4.14Å; T1804-M1807 WeakPolarHBondContact O-CB 3.47Å; T1804-M1807 PolarHBondContact O-N 3.2Å
1805R77.7Confident79.1Confident28 Ų2824.1 Ų24.111%0.10613%0.13CC..Hα-helixtrans-71-35171.2-55.7-173.8-172-172.97111.5T1797 M1800 D1801 P1802 M1807 V1808 Y1809 E1831T1797-R1805 HydrophobicContact CG2-CB 4.25Å; T1797-R1805 HydrophobicContact CG2-CG 4.12Å; M1800-R1805 HydrophobicContact CB-CG 3.98Å; M1800-R1805 PolarHBondContact O-NE 3.33Å; M1800-R1805 PolarHBondContact O-NH2 2.91Å; D1801-R1805 PolarHBondContact O-N 3.06Å; P1802-R1805 WeakPolarHBondContact O-CB 3.35Å; P1802-R1805 PolarHBondContact O-N 2.99Å; R1805-M1807 PolarHBondContact O-N 3.33Å; R1805-M1807 VanDerWaalsContact O-N 3.1Å; R1805-V1808 CarbonylContact O-C 3.55Å; R1805-V1808 WeakPolarHBondContact O-CA 3.37Å; R1805-V1808 WeakPolarHBondContact O-CB 3.41Å; R1805-V1808 PolarHBondContact O-N 3.48Å; R1805-Y1809 HydrophobicContact CB-CE1 3.86Å; R1805-Y1809 HydrophobicContact CB-CE2 4.06Å; R1805-Y1809 WeakPolarHBondContact CB-OH 3.35Å; R1805-Y1809 WeakPolarHBondContact O-CD1 3.47Å; R1805-Y1809 PolarHBondContact O-N 3.15Å; R1805-E1831 WeakPolarHBondContact CD-OE1 3.18Å; R1805-E1831 IonicContact CZ-OE1 2.72Å; R1805-E1831 IonicContact NE-OE1 3.61Å; R1805-E1831 IonicContact NH1-OE1 2.79Å; R1805-E1831 PolarHBondContact NH1-OE1 3.36Å
1806D75.6Confident79.2Confident58 Ų5825 Ų2531%0.3113%0.134SC..Hα-helixtrans-50.3-35.7171.6-60.8-3.9000112.4R1167 P1802 Y1809 A1810R1167-D1806 IonicContact NH2-OD2 2.7Å; P1802-D1806 PolarHBondContact O-N 3.16Å; D1806-Y1809 PolarHBondContact O-N 2.97Å; D1806-A1810 WeakPolarHBondContact O-CB 3.49Å; D1806-A1810 PolarHBondContact O-N 2.99Å
1807M79.2Confident79.2Confident29 Ų2932 Ų3214%0.14317%0.171CC..Hα-helixtrans-68.5-35.4176.8-57.2159.1-168.100111.9E1758 T1804 R1805 T1811E1758-M1807 HydrophobicContact CG-CE 3.71Å; E1758-M1807 HydrophobicContact CG-SD 4.18Å; E1758-M1807 WeakPolarHBondContact OE2-CE 3.46Å; T1804-M1807 HydrophobicContact CG2-CE 4.09Å; T1804-M1807 HydrophobicContact CG2-SD 4.14Å; T1804-M1807 WeakPolarHBondContact O-CB 3.47Å; T1804-M1807 PolarHBondContact O-N 3.2Å; R1805-M1807 PolarHBondContact O-N 3.33Å; R1805-M1807 VanDerWaalsContact O-N 3.1Å; M1807-T1811 PolarHBondContact O-N 2.96Å; M1807-T1811 VanDerWaalsContact O-N 3.15Å; M1807-T1811 PolarHBondContact O-OG1 3.36Å
1808V84.6Confident79Confident0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-72.5-43.2174.9-176.80000110V1780 P1796 M1800 R1805 T1811 I1812V1780-V1808 HydrophobicContact CG1-CG1 4.15Å; V1780-V1808 HydrophobicContact CG1-CG2 4.3Å; P1796-V1808 HydrophobicContact CB-CG1 4.43Å; M1800-V1808 HydrophobicContact CE-CG2 3.63Å; M1800-V1808 HydrophobicContact SD-CG2 3.85Å; R1805-V1808 CarbonylContact O-C 3.55Å; R1805-V1808 WeakPolarHBondContact O-CA 3.37Å; R1805-V1808 WeakPolarHBondContact O-CB 3.41Å; R1805-V1808 PolarHBondContact O-N 3.48Å; V1808-T1811 WeakPolarHBondContact O-CB 3.44Å; V1808-T1811 PolarHBondContact O-N 3.14Å; V1808-T1811 VanDerWaalsContact O-N 3.12Å; V1808-I1812 HydrophobicContact CG1-CD1 3.96Å; V1808-I1812 WeakPolarHBondContact O-CG1 3.38Å; V1808-I1812 PolarHBondContact O-N 3.06Å
1809Y86.1Confident79.7Confident31 Ų3142 Ų4212%0.12221%0.214CC..Hα-helixtrans-58.5-52.6175.9-53.6-18.7000110.9T1797 R1805 D1806 T1811 I1812 E1813 E1831 H1834 L1835T1797-Y1809 HydrophobicContact CG2-CE1 4.08Å; R1805-Y1809 HydrophobicContact CB-CE1 3.86Å; R1805-Y1809 HydrophobicContact CB-CE2 4.06Å; R1805-Y1809 WeakPolarHBondContact CB-OH 3.35Å; R1805-Y1809 WeakPolarHBondContact O-CD1 3.47Å; R1805-Y1809 PolarHBondContact O-N 3.15Å; D1806-Y1809 PolarHBondContact O-N 2.97Å; Y1809-T1811 PolarHBondContact O-N 3.43Å; Y1809-T1811 VanDerWaalsContact O-N 3.16Å; Y1809-I1812 WeakPolarHBondContact O-CA 3.36Å; Y1809-I1812 PolarHBondContact O-N 3.08Å; Y1809-E1813 WeakPolarHBondContact O-CG 3.31Å; Y1809-E1813 PolarHBondContact O-N 3.25Å; Y1809-E1831 HydrophobicContact CE1-CG 4.16Å; Y1809-E1831 WeakPolarHBondContact OH-CG 3.03Å; Y1809-H1834 AromaticContact CD2-CD2 3.82Å; Y1809-H1834 AromaticContact CD2-NE2 3.97Å; Y1809-L1835 HydrophobicContact CD1-CD1 3.8Å; Y1809-L1835 HydrophobicContact CD1-CD2 4Å; Y1809-L1835 HydrophobicContact CD1-CG 4.26Å; Y1809-L1835 HydrophobicContact CE1-CD1 4.21Å; Y1809-L1835 HydrophobicContact CG-CD2 4.09Å
1810A82.3Confident80.6Confident35 Ų3539.3 Ų39.329%0.28920%0.198SC..Hα-helixtrans-62-24.1176.800000113.4D1806 Q1814D1806-A1810 WeakPolarHBondContact O-CB 3.49Å; D1806-A1810 PolarHBondContact O-N 2.99Å; A1810-Q1814 VanDerWaalsContact O-CG 3.24Å; A1810-Q1814 WeakPolarHBondContact O-CG 3.43Å; A1810-Q1814 PolarHBondContact O-N 3.28Å; A1810-Q1814 PolarHBondContact O-NE2 2.88Å
1811T84.7Confident81.3Confident0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-75.8-42.8170.3-53.30000111.2V1184 Y1757 C1784 M1807 V1808 Y1809 Q1814 L1815V1184-T1811 HydrophobicContact CG1-CG2 4.14Å; Y1757-T1811 WeakPolarHBondContact OH-CG2 3.34Å; Y1757-T1811 PolarHBondContact OH-OG1 3.23Å; Y1757-T1811 VanDerWaalsContact OH-OG1 3.12Å; C1784-T1811 HydrophobicContact CB-CG2 3.87Å; M1807-T1811 PolarHBondContact O-N 2.96Å; M1807-T1811 VanDerWaalsContact O-N 3.15Å; M1807-T1811 PolarHBondContact O-OG1 3.36Å; V1808-T1811 WeakPolarHBondContact O-CB 3.44Å; V1808-T1811 PolarHBondContact O-N 3.14Å; V1808-T1811 VanDerWaalsContact O-N 3.12Å; Y1809-T1811 PolarHBondContact O-N 3.43Å; Y1809-T1811 VanDerWaalsContact O-N 3.16Å; T1811-Q1814 WeakPolarHBondContact O-CB 3.34Å; T1811-Q1814 PolarHBondContact O-N 3.41Å; T1811-L1815 WeakPolarHBondContact O-CG 3.3Å; T1811-L1815 PolarHBondContact O-N 3.2Å
1812I87.6Confident82.3Confident1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-63.5-43.2177.8-69.5168.7000110.2M1793 V1808 Y1809 Q1814 L1815 L1816 L1835M1793-I1812 HydrophobicContact CE-CG1 4.03Å; M1793-I1812 HydrophobicContact SD-CD1 3.96Å; M1793-I1812 HydrophobicContact SD-CG1 4.14Å; V1808-I1812 HydrophobicContact CG1-CD1 3.96Å; V1808-I1812 WeakPolarHBondContact O-CG1 3.38Å; V1808-I1812 PolarHBondContact O-N 3.06Å; Y1809-I1812 WeakPolarHBondContact O-CA 3.36Å; Y1809-I1812 PolarHBondContact O-N 3.08Å; I1812-Q1814 VanDerWaalsContact C-N 3.34Å; I1812-Q1814 PolarHBondContact O-N 2.68Å; I1812-L1815 WeakPolarHBondContact O-CB 3.42Å; I1812-L1815 PolarHBondContact O-N 3.25Å; I1812-L1816 HydrophobicContact CG2-CD1 4.02Å; I1812-L1816 HydrophobicContact CG2-CG 4.44Å; I1812-L1816 VanDerWaalsContact O-CG 3.3Å; I1812-L1816 WeakPolarHBondContact O-CG 3.17Å; I1812-L1816 PolarHBondContact O-N 3.35Å; I1812-L1835 HydrophobicContact CB-CD2 4.43Å; I1812-L1835 HydrophobicContact CD1-CD1 3.89Å; I1812-L1835 HydrophobicContact CG2-CD2 4.29Å
1813E85.7Confident83.4Confident92 Ų9237.7 Ų37.743%0.4319%0.188SC..Hα-helixtrans-55.4-46.3171.1-69.3172.9164.300111.8Y1809 L1815 L1816 L1817Y1809-E1813 WeakPolarHBondContact O-CG 3.31Å; Y1809-E1813 PolarHBondContact O-N 3.25Å; E1813-L1815 VanDerWaalsContact C-N 3.31Å; E1813-L1815 PolarHBondContact O-N 2.73Å; E1813-L1816 PolarHBondContact O-N 3.26Å; E1813-L1817 WeakPolarHBondContact O-CB 3.33Å; E1813-L1817 VanDerWaalsContact O-CG 3.29Å; E1813-L1817 WeakPolarHBondContact O-CG 3.25Å; E1813-L1817 PolarHBondContact O-N 2.63Å
1814Q83.4Confident84.4Confident50 Ų5036.5 Ų36.523%0.23418%0.181CC..Hα-helixtrans-62.3-34174.4-73.516653.100113.1V1185 A1810 T1811 I1812 A1818V1185-Q1814 HydrophobicContact CB-CB 4.26Å; V1185-Q1814 HydrophobicContact CG2-CB 3.54Å; A1810-Q1814 VanDerWaalsContact O-CG 3.24Å; A1810-Q1814 WeakPolarHBondContact O-CG 3.43Å; A1810-Q1814 PolarHBondContact O-N 3.28Å; A1810-Q1814 PolarHBondContact O-NE2 2.88Å; T1811-Q1814 WeakPolarHBondContact O-CB 3.34Å; T1811-Q1814 PolarHBondContact O-N 3.41Å; I1812-Q1814 VanDerWaalsContact C-N 3.34Å; I1812-Q1814 PolarHBondContact O-N 2.68Å; Q1814-A1818 WeakPolarHBondContact O-CB 3.46Å; Q1814-A1818 PolarHBondContact O-N 3.08Å; Q1814-A1818 VanDerWaalsContact O-N 3.07Å
1815L85.2Confident85.2Confident0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-68.4-40176.3-69.5169.6000111.3V1185 V1791 M1793 T1811 I1812 E1813 A1818 R1819 R1820 V1822V1185-L1815 HydrophobicContact CB-CD2 4.49Å; V1185-L1815 HydrophobicContact CG1-CD2 4.03Å; V1185-L1815 HydrophobicContact CG2-CD2 3.64Å; V1185-L1815 HydrophobicContact CG2-CG 3.85Å; V1791-L1815 HydrophobicContact CG1-CD1 4.49Å; M1793-L1815 HydrophobicContact CE-CD1 3.7Å; T1811-L1815 WeakPolarHBondContact O-CG 3.3Å; T1811-L1815 PolarHBondContact O-N 3.2Å; I1812-L1815 WeakPolarHBondContact O-CB 3.42Å; I1812-L1815 PolarHBondContact O-N 3.25Å; E1813-L1815 VanDerWaalsContact C-N 3.31Å; E1813-L1815 PolarHBondContact O-N 2.73Å; L1815-A1818 CarbonylContact O-C 3.05Å; L1815-A1818 PolarHBondContact O-N 3.14Å; L1815-R1819 PolarHBondContact O-N 3.32Å; L1815-R1820 WeakPolarHBondContact O-CB 3.43Å; L1815-R1820 PolarHBondContact O-N 3.48Å; L1815-V1822 HydrophobicContact CB-CG2 4.21Å; L1815-V1822 HydrophobicContact CD1-CG2 4.41Å
1816L86.9Confident85.3Confident25 Ų2535 Ų3513%0.13118%0.175CC..Hα-helixtrans-71-42.1178.6-62.4167.7000111.6G1677 E1678 C1679 I1812 E1813 A1818 R1819 V1822G1677-L1816 WeakPolarHBondContact O-CD2 3.34Å; E1678-L1816 VanDerWaalsContact C-CD2 3.43Å; C1679-L1816 HydrophobicContact CB-CD1 3.92Å; C1679-L1816 HydrophobicContact CB-CD2 3.82Å; C1679-L1816 HydrophobicContact CB-CG 4.45Å; I1812-L1816 HydrophobicContact CG2-CD1 4.02Å; I1812-L1816 HydrophobicContact CG2-CG 4.44Å; I1812-L1816 VanDerWaalsContact O-CG 3.3Å; I1812-L1816 WeakPolarHBondContact O-CG 3.17Å; I1812-L1816 PolarHBondContact O-N 3.35Å; E1813-L1816 PolarHBondContact O-N 3.26Å; L1816-A1818 PolarHBondContact O-N 3.33Å; L1816-R1819 WeakPolarHBondContact O-CA 3.48Å; L1816-R1819 PolarHBondContact O-N 3.39Å; L1816-V1822 HydrophobicContact CD2-CB 4.46Å; L1816-V1822 HydrophobicContact CD2-CG2 4.04Å
1817L84.8Confident85.2Confident149 Ų14936.1 Ų36.178%0.7818%0.178SC*.Hα-helixtrans-59.1-34.6170.9-71.8169.6000111.8E1813 R1819E1813-L1817 WeakPolarHBondContact O-CB 3.33Å; E1813-L1817 VanDerWaalsContact O-CG 3.29Å; E1813-L1817 WeakPolarHBondContact O-CG 3.25Å; E1813-L1817 PolarHBondContact O-N 2.63Å; L1817-R1819 PolarHBondContact O-N 2.85Å
1818A78.8Confident84.9Confident48 Ų4836.3 Ų36.340%0.39718%0.182SC..THydrogen-bonded Turntrans-77.414.7170.800000114.3V1185 Q1814 L1815 L1816 R1820V1185-A1818 HydrophobicContact CG1-CB 3.64Å; Q1814-A1818 WeakPolarHBondContact O-CB 3.46Å; Q1814-A1818 PolarHBondContact O-N 3.08Å; Q1814-A1818 VanDerWaalsContact O-N 3.07Å; L1815-A1818 CarbonylContact O-C 3.05Å; L1815-A1818 PolarHBondContact O-N 3.14Å; L1816-A1818 PolarHBondContact O-N 3.33Å; A1818-R1820 VanDerWaalsContact C-N 3.26Å; A1818-R1820 HydrophobicContact CB-CG 4.4Å; A1818-R1820 PolarHBondContact O-N 3.03Å
1819R84.8Confident84.5Confident202 Ų20236.9 Ų36.976%0.76219%0.186SC*.THydrogen-bonded Turntrans55.728.4179.9-64.8-171.6171.9-161.6-2.9115.4R1676 G1677 L1815 L1816 L1817R1676-R1819 CarbonylContact C-O 3.57Å; G1677-R1819 PolarHBondContact N-O 3.1Å; G1677-R1819 VanDerWaalsContact N-O 3.17Å; L1815-R1819 PolarHBondContact O-N 3.32Å; L1816-R1819 WeakPolarHBondContact O-CA 3.48Å; L1816-R1819 PolarHBondContact O-N 3.39Å; L1817-R1819 PolarHBondContact O-N 2.85Å
1820R86Confident83.9Confident10 Ų1038.5 Ų38.54%0.03820%0.202CC..  trans-87.8144.1175.1-55.1177.8-176.8-172.81.1110.7V1185 A1186 G1677 C1784 G1786 C1787 L1815 A1818V1185-R1820 VanDerWaalsContact CG1-CZ 3.46Å; A1186-R1820 PolarHBondContact O-NH2 2.83Å; G1677-R1820 VanDerWaalsContact CA-O 3.28Å; G1677-R1820 WeakPolarHBondContact CA-O 3.28Å; G1677-R1820 PolarHBondContact N-O 3.32Å; C1784-R1820 PolarHBondContact O-NH1 2.88Å; G1786-R1820 PolarHBondContact O-NH1 3.47Å; G1786-R1820 PolarHBondContact O-NH2 3.17Å; C1787-R1820 PolarHBondContact SG-NH2 3.18Å; L1815-R1820 WeakPolarHBondContact O-CB 3.43Å; L1815-R1820 PolarHBondContact O-N 3.48Å; A1818-R1820 VanDerWaalsContact C-N 3.26Å; A1818-R1820 HydrophobicContact CB-CG 4.4Å; A1818-R1820 PolarHBondContact O-N 3.03Å
1821A89.3Confident83.6Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-81132.4171.200000110.2A1650 V1674 Q1675 E1678 P1789 T1790 V1791A1650-A1821 HydrophobicContact CB-CB 3.59Å; V1674-A1821 HydrophobicContact CG1-CB 4.04Å; Q1675-A1821 WeakPolarHBondContact O-CB 3.34Å; E1678-A1821 WeakPolarHBondContact O-CA 3.44Å; P1789-A1821 PolarHBondContact O-N 3.09Å; T1790-A1821 CarbonylContact C-O 3.51Å; T1790-A1821 WeakPolarHBondContact CA-O 3.39Å; T1790-A1821 HydrophobicContact CG2-CB 4.45Å; V1791-A1821 PolarHBondContact N-O 3.26Å
1822V91.8Very high83.6Confident0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-117.6130.6177.3-176.90000108.9E1678 C1679 F1680 V1791 L1815 L1816E1678-V1822 PolarHBondContact O-N 2.89Å; C1679-V1822 CarbonylContact C-O 3.5Å; C1679-V1822 WeakPolarHBondContact CA-O 3.32Å; C1679-V1822 HydrophobicContact CB-CB 4.22Å; F1680-V1822 PolarHBondContact N-O 2.98Å; V1791-V1822 HydrophobicContact CB-CG2 4.5Å; V1791-V1822 CarbonylContact O-C 3.48Å; V1791-V1822 WeakPolarHBondContact O-CA 3.43Å; L1815-V1822 HydrophobicContact CB-CG2 4.21Å; L1815-V1822 HydrophobicContact CD1-CG2 4.41Å; L1816-V1822 HydrophobicContact CD2-CB 4.46Å; L1816-V1822 HydrophobicContact CD2-CG2 4.04Å
1823V92.5Very high83.4Confident2 Ų240 Ų401%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-115.4115.1173.4-175.70000108V1674 F1680 F1694 V1791 L1792 M1793V1674-V1823 HydrophobicContact CG2-CG2 4.2Å; F1680-V1823 HydrophobicContact CD1-CG1 4.34Å; F1680-V1823 WeakPolarHBondContact O-CA 3.44Å; F1694-V1823 HydrophobicContact CE2-CG1 4Å; F1694-V1823 HydrophobicContact CZ-CB 4.43Å; F1694-V1823 HydrophobicContact CZ-CG1 3.8Å; V1791-V1823 PolarHBondContact O-N 3.26Å; L1792-V1823 HydrophobicContact CD2-CB 3.64Å; L1792-V1823 HydrophobicContact CD2-CG1 4.35Å; L1792-V1823 HydrophobicContact CD2-CG2 3.78Å; M1793-V1823 PolarHBondContact N-O 2.81Å
1824L91.8Very high82.9Confident1 Ų141 Ų411%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-118.2130.9-167.8178.663.4000111.4F1680 G1681 L1682 M1793 P1796 I1832 L1835F1680-L1824 PolarHBondContact O-N 3.23Å; G1681-L1824 CarbonylContact C-O 3.57Å; G1681-L1824 WeakPolarHBondContact CA-O 3.33Å; L1682-L1824 PolarHBondContact N-O 3.08Å; M1793-L1824 HydrophobicContact CB-CD1 3.95Å; M1793-L1824 WeakPolarHBondContact O-CA 3.49Å; P1796-L1824 VanDerWaalsContact CD-CD1 3.44Å; P1796-L1824 HydrophobicContact CG-CD1 3.42Å; P1796-L1824 VanDerWaalsContact CG-CD1 3.42Å; L1824-I1832 HydrophobicContact CD2-CG1 4.24Å; L1824-L1835 HydrophobicContact CD2-CB 4.42Å; L1824-L1835 HydrophobicContact CD2-CD1 3.82Å
1825T89.4Confident83Confident0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-103.2143154.765.60000109.6L1682 K1690 F1694 M1793 D1794 E1795 P1796L1682-T1825 HydrophobicContact CB-CG2 4.18Å; L1682-T1825 HydrophobicContact CD2-CG2 4.47Å; K1690-T1825 HydrophobicContact CB-CG2 4.14Å; K1690-T1825 HydrophobicContact CD-CG2 4.03Å; F1694-T1825 HydrophobicContact CD2-CG2 4.06Å; F1694-T1825 HydrophobicContact CE2-CG2 3.44Å; F1694-T1825 VanDerWaalsContact CE2-CG2 3.44Å; F1694-T1825 HydrophobicContact CZ-CG2 3.76Å; M1793-T1825 PolarHBondContact O-N 2.87Å; D1794-T1825 VanDerWaalsContact CA-OG1 3.23Å; D1794-T1825 WeakPolarHBondContact CA-OG1 3.49Å; D1794-T1825 PolarHBondContact OD1-OG1 2.72Å; E1795-T1825 WeakPolarHBondContact CA-O 3.41Å; E1795-T1825 PolarHBondContact N-O 3.17Å; E1795-T1825 VanDerWaalsContact N-O 3.16Å; E1795-T1825 PolarHBondContact N-OG1 3.34Å; E1795-T1825 PolarHBondContact OE1-OG1 3.33Å; P1796-T1825 WeakPolarHBondContact CD-O 3.42Å
1826S81.4Confident83.1Confident2 Ų239.4 Ų39.41%0.01420%0.201CC..  trans-143.8148.6162.5-175.30000109.5K1690 E1795 S1828 E1831K1690-S1826 PolarHBondContact NZ-O 3.37Å; E1795-S1826 WeakPolarHBondContact OE1-CA 3.39Å; E1795-S1826 PolarHBondContact OE1-N 3.26Å; E1795-S1826 VanDerWaalsContact OE2-C 3.29Å; E1795-S1826 VanDerWaalsContact OE2-CA 3.23Å; E1795-S1826 WeakPolarHBondContact OE2-CA 3.42Å; S1826-S1828 VanDerWaalsContact C-N 3.32Å; S1826-S1828 PolarHBondContact OG-N 3.05Å; S1826-S1828 PolarHBondContact OG-O 3.46Å; S1826-E1831 WeakPolarHBondContact CB-OE2 3.43Å; S1826-E1831 PolarHBondContact OG-OE2 3.12Å
1827H73Confident83.2Confident82 Ų8242.7 Ų42.738%0.3822%0.215SC..SBendtrans-78.7-18.7162.3-63.4-66.2000111.7N1686 E1795N1686-H1827 PolarHBondContact OD1-CE1 3.44Å; N1686-H1827 PolarHBondContact OD1-ND1 2.93Å; N1686-H1827 VanDerWaalsContact OD1-ND1 3.15Å; E1795-H1827 IonicContact OE1-CD2 2.65Å; E1795-H1827 IonicContact OE1-CE1 2.68Å; E1795-H1827 IonicContact OE1-CG 3.84Å; E1795-H1827 PolarHBondContact OE1-N 2.98Å; E1795-H1827 IonicContact OE1-ND1 2.86Å; E1795-H1827 IonicContact OE1-NE2 2.66Å; E1795-H1827 IonicContact OE2-CD2 3.19Å; E1795-H1827 PolarHBondContact OE2-CD2 2.66Å; E1795-H1827 IonicContact OE2-CG 3.59Å; E1795-H1827 PolarHBondContact OE2-N 3.17Å; E1795-H1827 IonicContact OE2-NE2 2.73Å
1828S72.6Confident83.5Confident33 Ų3338.1 Ų38.123%0.23119%0.188CC..  trans-92.2102.7178.9-172.70000110S1826 S1830 E1831S1826-S1828 VanDerWaalsContact C-N 3.32Å; S1826-S1828 PolarHBondContact OG-N 3.05Å; S1826-S1828 PolarHBondContact OG-O 3.46Å; S1828-S1830 PolarHBondContact O-N 3.43Å; S1828-S1830 PolarHBondContact OG-OG 3.13Å; S1828-E1831 VanDerWaalsContact CB-CD 3.48Å; S1828-E1831 WeakPolarHBondContact O-CB 3.34Å; S1828-E1831 PolarHBondContact O-N 2.93Å
1829V77.3Confident84.1Confident12 Ų1235.9 Ų35.97%0.07317%0.169CC..Hα-helixtrans-61.8-28.4-174.9-167.10000112.1L1683 E1831 I1832 E1833 F1941 E1942 F1945L1683-V1829 HydrophobicContact CD1-CG1 4.47Å; L1683-V1829 HydrophobicContact CD1-CG2 4.35Å; L1683-V1829 HydrophobicContact CD2-CG1 4.2Å; V1829-E1831 VanDerWaalsContact C-N 3.34Å; V1829-E1831 PolarHBondContact O-N 3.35Å; V1829-I1832 PolarHBondContact O-N 3.27Å; V1829-E1833 WeakPolarHBondContact O-CB 3.29Å; V1829-E1833 PolarHBondContact O-N 2.93Å; V1829-F1941 HydrophobicContact CG1-CB 4.08Å; V1829-F1941 HydrophobicContact CG1-CD1 3.44Å; V1829-F1941 VanDerWaalsContact CG1-CD1 3.44Å; V1829-F1941 HydrophobicContact CG1-CE1 4.14Å; V1829-F1941 HydrophobicContact CG1-CG 3.98Å; V1829-E1942 HydrophobicContact CB-CB 4.09Å; V1829-E1942 HydrophobicContact CG1-CB 4.4Å; V1829-E1942 HydrophobicContact CG2-CB 4.17Å; V1829-E1942 HydrophobicContact CG2-CG 4.23Å; V1829-F1945 HydrophobicContact CG2-CD1 4.05Å; V1829-F1945 HydrophobicContact CG2-CE1 4.43Å
1830S72.8Confident84.3Confident65 Ų6526.3 Ų26.346%0.45513%0.133SC..Hα-helixtrans-65.7-29.5174.342.60000114.2S1828 H1834S1828-S1830 PolarHBondContact O-N 3.43Å; S1828-S1830 PolarHBondContact OG-OG 3.13Å; S1830-H1834 WeakPolarHBondContact O-CB 3.3Å; S1830-H1834 PolarHBondContact O-N 3.03Å
1831E76.5Confident84.4Confident3 Ų325.8 Ų25.81%0.01413%0.131CC..Hα-helixtrans-72.3-42.2176.6-61.8175.4176.700110.5T1797 R1805 Y1809 S1826 S1828 V1829 E1833 H1834 L1835T1797-E1831 WeakPolarHBondContact CB-OE1 3.45Å; T1797-E1831 WeakPolarHBondContact CB-OE2 3.41Å; T1797-E1831 VanDerWaalsContact OG1-CD 3.25Å; T1797-E1831 PolarHBondContact OG1-OE1 2.96Å; T1797-E1831 PolarHBondContact OG1-OE2 3.43Å; R1805-E1831 WeakPolarHBondContact CD-OE1 3.18Å; R1805-E1831 IonicContact CZ-OE1 2.72Å; R1805-E1831 IonicContact NE-OE1 3.61Å; R1805-E1831 IonicContact NH1-OE1 2.79Å; R1805-E1831 PolarHBondContact NH1-OE1 3.36Å; Y1809-E1831 HydrophobicContact CE1-CG 4.16Å; Y1809-E1831 WeakPolarHBondContact OH-CG 3.03Å; S1826-E1831 WeakPolarHBondContact CB-OE2 3.43Å; S1826-E1831 PolarHBondContact OG-OE2 3.12Å; S1828-E1831 VanDerWaalsContact CB-CD 3.48Å; S1828-E1831 WeakPolarHBondContact O-CB 3.34Å; S1828-E1831 PolarHBondContact O-N 2.93Å; V1829-E1831 VanDerWaalsContact C-N 3.34Å; V1829-E1831 PolarHBondContact O-N 3.35Å; E1831-E1833 VanDerWaalsContact C-N 3.35Å; E1831-H1834 PolarHBondContact O-N 3.22Å; E1831-L1835 WeakPolarHBondContact O-CB 3.37Å; E1831-L1835 VanDerWaalsContact O-CG 3.25Å; E1831-L1835 WeakPolarHBondContact O-CG 3.3Å; E1831-L1835 PolarHBondContact O-N 3.22Å
1832I84.3Confident84.3Confident0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-68.5-34.3173.9-77.9170.6000111.2L1683 L1824 V1829 H1834 C1836 V1839 F1941L1683-I1832 HydrophobicContact CD1-CD1 3.59Å; L1824-I1832 HydrophobicContact CD2-CG1 4.24Å; V1829-I1832 PolarHBondContact O-N 3.27Å; I1832-H1834 VanDerWaalsContact C-N 3.32Å; I1832-C1836 HydrophobicContact CG2-CB 4.27Å; I1832-C1836 VanDerWaalsContact O-CB 3.32Å; I1832-C1836 WeakPolarHBondContact O-CB 3.38Å; I1832-C1836 PolarHBondContact O-N 2.9Å; I1832-V1839 HydrophobicContact CG2-CB 4.27Å; I1832-V1839 HydrophobicContact CG2-CG1 3.82Å; I1832-V1839 HydrophobicContact CG2-CG2 3.38Å; I1832-F1941 HydrophobicContact CG2-CE1 4.22Å
1833E82.3Confident83.8Confident63 Ų6328.1 Ų28.129%0.29414%0.14SC..Hα-helixtrans-64.5-33.8172.2-167.5-174.9134.400112.5V1829 E1831 K1857 F1941V1829-E1833 WeakPolarHBondContact O-CB 3.29Å; V1829-E1833 PolarHBondContact O-N 2.93Å; E1831-E1833 VanDerWaalsContact C-N 3.35Å; E1833-K1857 WeakPolarHBondContact OE1-CE 3.06Å; E1833-K1857 IonicContact OE1-NZ 2.69Å; E1833-K1857 PolarHBondContact OE1-NZ 3.35Å; E1833-K1857 IonicContact OE2-NZ 3.53Å; E1833-F1941 HydrophobicContact CB-CB 4.22Å; E1833-F1941 HydrophobicContact CB-CD1 4.33Å; E1833-F1941 HydrophobicContact CG-CB 3.97Å; E1833-F1941 WeakPolarHBondContact OE2-CB 3.32Å; E1833-F1941 PolarHBondContact OE2-N 3.41Å
1834H76.8Confident83Confident113 Ų11331.1 Ų31.152%0.52317%0.165SC..Hα-helixtrans-83.5-38.8-178.6-175.28.7000113.4Y1809 S1830 E1831 I1832Y1809-H1834 AromaticContact CD2-CD2 3.82Å; Y1809-H1834 AromaticContact CD2-NE2 3.97Å; S1830-H1834 WeakPolarHBondContact O-CB 3.3Å; S1830-H1834 PolarHBondContact O-N 3.03Å; E1831-H1834 PolarHBondContact O-N 3.22Å; I1832-H1834 VanDerWaalsContact C-N 3.32Å
1835L84.9Confident82.3Confident10 Ų1031.1 Ų31.15%0.05217%0.165CC..Hα-helixtrans-100.6-34-168-61.2169.6000114.6C1679 Y1809 I1812 L1824 E1831 Q1837C1679-L1835 WeakPolarHBondContact CB-O 3.37Å; Y1809-L1835 HydrophobicContact CD1-CD1 3.8Å; Y1809-L1835 HydrophobicContact CD1-CD2 4Å; Y1809-L1835 HydrophobicContact CD1-CG 4.26Å; Y1809-L1835 HydrophobicContact CE1-CD1 4.21Å; Y1809-L1835 HydrophobicContact CG-CD2 4.09Å; I1812-L1835 HydrophobicContact CB-CD2 4.43Å; I1812-L1835 HydrophobicContact CD1-CD1 3.89Å; I1812-L1835 HydrophobicContact CG2-CD2 4.29Å; L1824-L1835 HydrophobicContact CD2-CB 4.42Å; L1824-L1835 HydrophobicContact CD2-CD1 3.82Å; E1831-L1835 WeakPolarHBondContact O-CB 3.37Å; E1831-L1835 VanDerWaalsContact O-CG 3.25Å; E1831-L1835 WeakPolarHBondContact O-CG 3.3Å; E1831-L1835 PolarHBondContact O-N 3.22Å; L1835-Q1837 PolarHBondContact O-NE2 3.05Å
1836C88.3Confident82.1Confident8 Ų835.3 Ų35.35%0.05419%0.185CC..  trans-93.7124.3-165.7-60.10000112.6C1679 G1681 I1832 R1838 V1839 P1853C1679-C1836 CarbonylContact O-C 3.54Å; C1679-C1836 VanDerWaalsContact O-CA 3.27Å; C1679-C1836 WeakPolarHBondContact O-CA 3.45Å; C1679-C1836 WeakPolarHBondContact O-CB 3.48Å; G1681-C1836 VanDerWaalsContact CA-SG 3.59Å; I1832-C1836 HydrophobicContact CG2-CB 4.27Å; I1832-C1836 VanDerWaalsContact O-CB 3.32Å; I1832-C1836 WeakPolarHBondContact O-CB 3.38Å; I1832-C1836 PolarHBondContact O-N 2.9Å; C1836-R1838 VanDerWaalsContact C-N 3.29Å; C1836-V1839 HydrophobicContact CB-CG2 3.86Å; C1836-P1853 WeakPolarHBondContact O-CD 3.47Å; C1836-P1853 WeakPolarHBondContact O-CG 3.23Å
1837Q88.7Confident82.3Confident94 Ų9437.4 Ų37.444%0.43920%0.197SC..SBendtrans-71.3-28173.6-64.871.131.500111.4E1678 C1679 L1835 S1852E1678-Q1837 HydrophobicContact CG-CB 4.46Å; C1679-Q1837 VanDerWaalsContact CB-OE1 3.3Å; C1679-Q1837 PolarHBondContact O-N 3.44Å; C1679-Q1837 VanDerWaalsContact O-N 3.09Å; C1679-Q1837 PolarHBondContact O-OE1 3.25Å; L1835-Q1837 PolarHBondContact O-NE2 3.05Å; Q1837-S1852 VanDerWaalsContact O-CA 3.27Å; Q1837-S1852 WeakPolarHBondContact O-CA 3.43Å; Q1837-S1852 WeakPolarHBondContact O-CB 3.34Å
1838R91.4Very high82.9Confident53 Ų5337.1 Ų37.120%0.220%0.197CC..EExtended strand (participates in β ladder)trans-139.6144.7176.6-178.1162.547.8130.80.8111.2S1673 E1678 F1680 G1681 C1836S1673-R1838 PolarHBondContact O-NH1 3.43Å; S1673-R1838 PolarHBondContact O-NH2 2.81Å; E1678-R1838 VanDerWaalsContact OE1-CB 3.26Å; E1678-R1838 WeakPolarHBondContact OE1-CB 3.48Å; E1678-R1838 IonicContact OE1-CZ 2.92Å; E1678-R1838 IonicContact OE1-NE 3.83Å; E1678-R1838 PolarHBondContact OE1-NE 2.98Å; E1678-R1838 IonicContact OE1-NH2 3.14Å; E1678-R1838 PolarHBondContact OE1-NH2 3.1Å; E1678-R1838 IonicContact OE2-CZ 3.8Å; E1678-R1838 IonicContact OE2-NH2 3.81Å; E1678-R1838 PolarHBondContact OE2-NH2 3.4Å; F1680-R1838 WeakPolarHBondContact CA-O 3.05Å; F1680-R1838 HydrophobicContact CD2-CB 4.27Å; F1680-R1838 HydrophobicContact CD2-CG 4.06Å; F1680-R1838 HydrophobicContact CE2-CG 4.14Å; G1681-R1838 PolarHBondContact N-O 3.42Å; C1836-R1838 VanDerWaalsContact C-N 3.29Å
1839V90.7Very high83.4Confident0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-134.9127.2-176.9-176.70000110.8G1681 L1683 I1832 C1836 S1850 D1851 P1853 L1856 F1941G1681-V1839 CarbonylContact O-C 3.55Å; G1681-V1839 VanDerWaalsContact O-CA 3.31Å; G1681-V1839 WeakPolarHBondContact O-CA 3.38Å; L1683-V1839 HydrophobicContact CB-CG1 3.84Å; L1683-V1839 HydrophobicContact CD2-CG1 4.21Å; I1832-V1839 HydrophobicContact CG2-CB 4.27Å; I1832-V1839 HydrophobicContact CG2-CG1 3.82Å; I1832-V1839 HydrophobicContact CG2-CG2 3.38Å; C1836-V1839 HydrophobicContact CB-CG2 3.86Å; V1839-S1850 WeakPolarHBondContact O-CA 3.19Å; V1839-D1851 PolarHBondContact N-O 3.24Å; V1839-D1851 PolarHBondContact O-N 2.82Å; V1839-P1853 HydrophobicContact CG2-CG 3.77Å; V1839-L1856 HydrophobicContact CB-CD1 4.43Å; V1839-F1941 HydrophobicContact CB-CE1 4.39Å; V1839-F1941 HydrophobicContact CB-CZ 4.3Å; V1839-F1941 HydrophobicContact CG1-CE1 4.07Å; V1839-F1941 HydrophobicContact CG1-CZ 4.11Å; V1839-F1941 HydrophobicContact CG2-CE1 4.24Å
1840A89.3Confident83.9Confident1 Ų138.4 Ų38.41%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-100.1128171.200000111.2F1680 G1681 L1682 L1683 V1847 A1849F1680-A1840 HydrophobicContact CE1-CB 4.13Å; F1680-A1840 HydrophobicContact CE2-CB 4.19Å; F1680-A1840 HydrophobicContact CZ-CB 3.52Å; G1681-A1840 PolarHBondContact O-N 3.45Å; L1682-A1840 HydrophobicContact CD1-CB 4.31Å; L1683-A1840 PolarHBondContact N-O 3.06Å; A1840-V1847 HydrophobicContact CB-CG1 4.01Å; A1840-V1847 HydrophobicContact CB-CG2 4.48Å; A1840-A1849 CarbonylContact C-O 3.48Å; A1840-A1849 WeakPolarHBondContact CA-O 3.37Å
1841V88.2Confident84.6Confident0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-95.9114.6177.6177.90000109.9V1847 I1848 A1849 F1945 I1948 L1949V1841-V1847 WeakPolarHBondContact O-CA 3.48Å; V1841-I1848 PolarHBondContact O-N 3.49Å; V1841-A1849 HydrophobicContact CB-CB 4.48Å; V1841-A1849 PolarHBondContact N-O 3.39Å; V1841-F1945 HydrophobicContact CG1-CD2 4.03Å; V1841-F1945 HydrophobicContact CG1-CE2 4.01Å; V1841-F1945 HydrophobicContact CG2-CD2 4.28Å; V1841-I1948 HydrophobicContact CB-CG2 4.22Å; V1841-I1948 HydrophobicContact CG1-CG2 3.8Å; V1841-I1948 HydrophobicContact CG2-CD1 4.37Å; V1841-I1948 HydrophobicContact CG2-CG2 4.39Å; V1841-L1949 HydrophobicContact CG1-CD2 4.19Å; V1841-L1949 HydrophobicContact CG1-CG 4.5Å
1842L86.3Confident85Confident0 Ų038.5 Ų38.50%021%0.206CC..EExtended strand (participates in β ladder)trans-102.6131.1-175.7-164.681000111.6V1670 L1682 L1683 G1684 A1688 K1690 I1693 Q1846 V1847V1670-L1842 HydrophobicContact CG2-CD1 4.16Å; L1682-L1842 HydrophobicContact CD1-CB 4.23Å; L1682-L1842 HydrophobicContact CD1-CD1 4.48Å; L1683-L1842 WeakPolarHBondContact O-CB 3.44Å; L1683-L1842 PolarHBondContact O-N 3.26Å; G1684-L1842 WeakPolarHBondContact CA-O 3.47Å; A1688-L1842 HydrophobicContact CB-CD2 4.39Å; A1688-L1842 HydrophobicContact CB-CG 4.47Å; A1688-L1842 WeakPolarHBondContact CB-O 3.3Å; A1688-L1842 VanDerWaalsContact O-CD2 3.23Å; A1688-L1842 WeakPolarHBondContact O-CD2 3.44Å; K1690-L1842 HydrophobicContact CG-CD2 4.35Å; I1693-L1842 HydrophobicContact CD1-CD1 3.76Å; I1693-L1842 HydrophobicContact CD1-CD2 3.73Å; I1693-L1842 HydrophobicContact CD1-CG 4.43Å; L1842-Q1846 CarbonylContact C-O 3.48Å; L1842-Q1846 WeakPolarHBondContact CA-O 3.35Å; L1842-Q1846 WeakPolarHBondContact CD1-O 3.32Å; L1842-V1847 HydrophobicContact CD1-CG2 3.81Å
1843R81.7Confident84.9Confident49 Ų4939 Ų3919%0.18521%0.209CC..EExtended strand (participates in β ladder)trans-144.5134.3176.1-171.3173.2176.9-119-14.5109.9G1845 Q1846 I1848 L1949 S1952 E1953R1843-G1845 PolarHBondContact O-N 3.06Å; R1843-Q1846 PolarHBondContact N-O 3.28Å; R1843-Q1846 PolarHBondContact O-N 2.82Å; R1843-Q1846 VanDerWaalsContact O-O 3.12Å; R1843-I1848 HydrophobicContact CB-CD1 3.59Å; R1843-I1848 HydrophobicContact CB-CG1 4.25Å; R1843-I1848 HydrophobicContact CG-CD1 4.18Å; R1843-L1949 HydrophobicContact CB-CD2 4.19Å; R1843-L1949 HydrophobicContact CG-CD2 4.28Å; R1843-L1949 PolarHBondContact NE-O 3.31Å; R1843-S1952 PolarHBondContact NH1-O 3.44Å; R1843-S1952 PolarHBondContact NH1-OG 2.93Å; R1843-E1953 IonicContact CZ-OE1 3.56Å; R1843-E1953 IonicContact NE-OE1 2.75Å; R1843-E1953 IonicContact NH2-OE1 2.69Å; R1843-E1953 PolarHBondContact NH2-OE1 3.42Å
1844A75.9Confident84.7Confident64 Ų6443.5 Ų43.553%0.52923%0.23SC..THydrogen-bonded Turntrans48.735.2179.200000115.2Q1846A1844-Q1846 VanDerWaalsContact C-N 3.35Å
1845G77.3Confident85Confident1 Ų145.1 Ų45.11%0.0123%0.231CC..THydrogen-bonded Turntrans81.12.3-177.900000115.8A1666 V1667 R1668 V1670 A1688 R1843A1666-G1845 WeakPolarHBondContact O-CA 3.42Å; V1667-G1845 CarbonylContact C-O 3.56Å; V1667-G1845 WeakPolarHBondContact CA-O 3.3Å; R1668-G1845 PolarHBondContact N-O 3.21Å; V1670-G1845 WeakPolarHBondContact CG2-O 3.29Å; A1688-G1845 WeakPolarHBondContact O-CA 3.47Å; A1688-G1845 PolarHBondContact O-N 2.94Å; R1843-G1845 PolarHBondContact O-N 3.06Å
1846Q84.1Confident84.8Confident89 Ų8944.7 Ų44.742%0.41623%0.229SC..EExtended strand (participates in β ladder)trans-115.4149.7-179.9-64.8179.6-45.700111.3R1668 L1842 R1843 A1844R1668-Q1846 HydrophobicContact CB-CG 3.74Å; R1668-Q1846 WeakPolarHBondContact O-CG 3.24Å; L1842-Q1846 CarbonylContact C-O 3.48Å; L1842-Q1846 WeakPolarHBondContact CA-O 3.35Å; L1842-Q1846 WeakPolarHBondContact CD1-O 3.32Å; R1843-Q1846 PolarHBondContact N-O 3.28Å; R1843-Q1846 PolarHBondContact O-N 2.82Å; R1843-Q1846 VanDerWaalsContact O-O 3.12Å; A1844-Q1846 VanDerWaalsContact C-N 3.35Å
1847V85.5Confident84.3Confident45 Ų4546.3 Ų46.327%0.27324%0.235SC..EExtended strand (participates in β ladder)trans-86.9125.6168.9176.70000108.5V1670 A1840 V1841 L1842V1670-V1847 HydrophobicContact CG1-CG2 4.06Å; V1670-V1847 HydrophobicContact CG2-CG2 4.33Å; A1840-V1847 HydrophobicContact CB-CG1 4.01Å; A1840-V1847 HydrophobicContact CB-CG2 4.48Å; V1841-V1847 WeakPolarHBondContact O-CA 3.48Å; L1842-V1847 HydrophobicContact CD1-CG2 3.81Å
1848I85.2Confident83.5Confident76 Ų7646.1 Ų46.139%0.3924%0.244SC..EExtended strand (participates in β ladder)trans-95-44.2-179.5-68.3-173000111.6V1841 R1843 I1948 S1952V1841-I1848 PolarHBondContact O-N 3.49Å; R1843-I1848 HydrophobicContact CB-CD1 3.59Å; R1843-I1848 HydrophobicContact CB-CG1 4.25Å; R1843-I1848 HydrophobicContact CG-CD1 4.18Å; I1848-I1948 HydrophobicContact CG2-CG2 4.11Å; I1848-S1952 WeakPolarHBondContact CD1-OG 3.45Å
1849A84.8Confident82.7Confident17 Ų1749.5 Ų49.514%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-138.6146.8-178.900000109.6A1840 V1841 L1856 I1948A1840-A1849 CarbonylContact C-O 3.48Å; A1840-A1849 WeakPolarHBondContact CA-O 3.37Å; V1841-A1849 HydrophobicContact CB-CB 4.48Å; V1841-A1849 PolarHBondContact N-O 3.39Å; A1849-L1856 HydrophobicContact CB-CD2 4.13Å; A1849-I1948 HydrophobicContact CB-CG2 4.21Å
1850S86.6Confident81.7Confident56 Ų5652.3 Ų52.339%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-152.991.9-178.3167.60000111.8V1839V1839-S1850 WeakPolarHBondContact O-CA 3.19Å
1851D87.3Confident80.6Confident48 Ų4852.4 Ų52.426%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-154.3-174.7174.2-153.1-15.9000110.8V1839 R1855 L1856V1839-D1851 PolarHBondContact N-O 3.24Å; V1839-D1851 PolarHBondContact O-N 2.82Å; D1851-R1855 HydrophobicContact CB-CB 4.45Å; D1851-R1855 VanDerWaalsContact CG-CD 3.42Å; D1851-R1855 WeakPolarHBondContact OD1-CD 3.46Å; D1851-R1855 IonicContact OD1-CZ 2.69Å; D1851-R1855 IonicContact OD1-NH1 2.72Å; D1851-R1855 PolarHBondContact OD1-NH1 3.27Å; D1851-R1855 WeakPolarHBondContact OD2-CD 3.17Å; D1851-R1855 IonicContact OD2-CZ 3.45Å; D1851-R1855 IonicContact OD2-NE 3.77Å; D1851-R1855 IonicContact OD2-NH1 2.68Å; D1851-R1855 PolarHBondContact OD2-NH1 3Å; D1851-L1856 HydrophobicContact CB-CD2 4.29Å; D1851-L1856 HydrophobicContact CB-CG 4.28Å
1852S84.9Confident79.7Confident22 Ų2254.2 Ų54.215%0.15430%0.295CS..  trans-65.3149.5177.175.40000112.6Q1837 Q1854 R1855 L1856Q1837-S1852 VanDerWaalsContact O-CA 3.27Å; Q1837-S1852 WeakPolarHBondContact O-CA 3.43Å; Q1837-S1852 WeakPolarHBondContact O-CB 3.34Å; S1852-Q1854 PolarHBondContact O-N 2.87Å; S1852-Q1854 VanDerWaalsContact O-N 3.11Å; S1852-R1855 PolarHBondContact O-N 3.1Å; S1852-R1855 VanDerWaalsContact O-N 3.12Å; S1852-R1855 PolarHBondContact OG-N 2.8Å; S1852-L1856 WeakPolarHBondContact O-CG 3.35Å; S1852-L1856 PolarHBondContact O-N 3.18Å
1853P83.2Confident79.2Confident11 Ų1155.4 Ų55.47%0.07130%0.3CS..Hα-helixtrans-54.5-33.2176.1-24.231.7000113C1836 V1839 K1857 F1941C1836-P1853 WeakPolarHBondContact O-CD 3.47Å; C1836-P1853 WeakPolarHBondContact O-CG 3.23Å; V1839-P1853 HydrophobicContact CG2-CG 3.77Å; P1853-K1857 VanDerWaalsContact O-CB 3.28Å; P1853-K1857 WeakPolarHBondContact O-CB 3.35Å; P1853-K1857 VanDerWaalsContact O-CG 3.26Å; P1853-K1857 WeakPolarHBondContact O-CG 3.44Å; P1853-K1857 PolarHBondContact O-N 3.2Å; P1853-F1941 HydrophobicContact CB-CD1 4.5Å; P1853-F1941 HydrophobicContact CB-CE1 4.5Å
1854Q78.3Confident79.1Confident156 Ų15654 Ų5473%0.72930%0.295SS*.Hα-helixtrans-69.1-45178.9-65.1177-100111.9S1852 K1857 S1858S1852-Q1854 PolarHBondContact O-N 2.87Å; S1852-Q1854 VanDerWaalsContact O-N 3.11Å; Q1854-K1857 WeakPolarHBondContact O-CB 3.29Å; Q1854-K1857 PolarHBondContact O-N 3.32Å; Q1854-S1858 PolarHBondContact O-N 3.08Å; Q1854-S1858 PolarHBondContact O-OG 3.34Å
1855R81.9Confident79.2Confident148 Ų14851 Ų5156%0.55827%0.27SS*.Hα-helixtrans-69.3-42.4177.7-75.1178.5-175.1163.5-5112.2D1851 S1852 K1857 S1858 E1859D1851-R1855 HydrophobicContact CB-CB 4.45Å; D1851-R1855 VanDerWaalsContact CG-CD 3.42Å; D1851-R1855 WeakPolarHBondContact OD1-CD 3.46Å; D1851-R1855 IonicContact OD1-CZ 2.69Å; D1851-R1855 IonicContact OD1-NH1 2.72Å; D1851-R1855 PolarHBondContact OD1-NH1 3.27Å; D1851-R1855 WeakPolarHBondContact OD2-CD 3.17Å; D1851-R1855 IonicContact OD2-CZ 3.45Å; D1851-R1855 IonicContact OD2-NE 3.77Å; D1851-R1855 IonicContact OD2-NH1 2.68Å; D1851-R1855 PolarHBondContact OD2-NH1 3Å; S1852-R1855 PolarHBondContact O-N 3.1Å; S1852-R1855 VanDerWaalsContact O-N 3.12Å; S1852-R1855 PolarHBondContact OG-N 2.8Å; R1855-K1857 VanDerWaalsContact C-N 3.27Å; R1855-K1857 PolarHBondContact O-N 3.5Å; R1855-S1858 WeakPolarHBondContact CA-OG 3.32Å; R1855-S1858 PolarHBondContact O-N 3.47Å; R1855-S1858 PolarHBondContact O-OG 2.77Å; R1855-E1859 WeakPolarHBondContact O-CB 3.21Å; R1855-E1859 PolarHBondContact O-N 2.69Å
1856L80.7Confident79.4Confident1 Ų151 Ų511%0.00527%0.27CS..Hα-helixtrans-59.5-38.7173-64.9172.5000111.1V1839 A1849 D1851 S1852 S1858 H1860 F1941 V1944 I1948V1839-L1856 HydrophobicContact CB-CD1 4.43Å; A1849-L1856 HydrophobicContact CB-CD2 4.13Å; D1851-L1856 HydrophobicContact CB-CD2 4.29Å; D1851-L1856 HydrophobicContact CB-CG 4.28Å; S1852-L1856 WeakPolarHBondContact O-CG 3.35Å; S1852-L1856 PolarHBondContact O-N 3.18Å; L1856-S1858 PolarHBondContact O-N 2.83Å; L1856-H1860 WeakPolarHBondContact O-CB 3.36Å; L1856-H1860 PolarHBondContact O-N 2.73Å; L1856-F1941 HydrophobicContact CB-CE2 3.79Å; L1856-F1941 HydrophobicContact CD1-CE2 3.86Å; L1856-F1941 HydrophobicContact CD1-CZ 3.74Å; L1856-F1941 HydrophobicContact CG-CE2 4.5Å; L1856-V1944 WeakPolarHBondContact O-CG1 3.48Å; L1856-I1948 HydrophobicContact CD2-CD1 4.45Å
1857K78Confident79.1Confident42 Ų4247.8 Ų47.818%0.18326%0.256CS..Hα-helixtrans-64.8-29.6171.3-84.1-179.8175.5-173.20114.2E1833 P1853 Q1854 R1855 G1861 G1862 F1941 V1944E1833-K1857 WeakPolarHBondContact OE1-CE 3.06Å; E1833-K1857 IonicContact OE1-NZ 2.69Å; E1833-K1857 PolarHBondContact OE1-NZ 3.35Å; E1833-K1857 IonicContact OE2-NZ 3.53Å; P1853-K1857 VanDerWaalsContact O-CB 3.28Å; P1853-K1857 WeakPolarHBondContact O-CB 3.35Å; P1853-K1857 VanDerWaalsContact O-CG 3.26Å; P1853-K1857 WeakPolarHBondContact O-CG 3.44Å; P1853-K1857 PolarHBondContact O-N 3.2Å; Q1854-K1857 WeakPolarHBondContact O-CB 3.29Å; Q1854-K1857 PolarHBondContact O-N 3.32Å; R1855-K1857 VanDerWaalsContact C-N 3.27Å; R1855-K1857 PolarHBondContact O-N 3.5Å; K1857-G1861 CarbonylContact O-C 3.58Å; K1857-G1861 WeakPolarHBondContact O-CA 3.33Å; K1857-G1861 PolarHBondContact O-N 3.29Å; K1857-G1862 PolarHBondContact O-N 2.94Å; K1857-F1941 HydrophobicContact CG-CD2 4.42Å; K1857-V1944 HydrophobicContact CG-CG2 4.36Å
1858S72.9Confident79Confident89 Ų8945.6 Ų45.662%0.62224%0.243SC*.Hα-helixtrans-82.5-37.2175.353.90000113.4Q1854 R1855 L1856Q1854-S1858 PolarHBondContact O-N 3.08Å; Q1854-S1858 PolarHBondContact O-OG 3.34Å; R1855-S1858 WeakPolarHBondContact CA-OG 3.32Å; R1855-S1858 PolarHBondContact O-N 3.47Å; R1855-S1858 PolarHBondContact O-OG 2.77Å; L1856-S1858 PolarHBondContact O-N 2.83Å
1859E73.6Confident78.6Confident124 Ų12442.6 Ų42.658%0.57923%0.227SC*.Hα-helixtrans-77.5-54.4-176.8-179.7-165.3-148.100111.6R1855R1855-E1859 WeakPolarHBondContact O-CB 3.21Å; R1855-E1859 PolarHBondContact O-N 2.69Å
1860H70.7Confident78.3Confident59 Ų5942 Ų4227%0.27322%0.222SC..THydrogen-bonded Turntrans-97.6-6-176.5-72.786.8000113.2L1856 V1944 I1948L1856-H1860 WeakPolarHBondContact O-CB 3.36Å; L1856-H1860 PolarHBondContact O-N 2.73Å; H1860-V1944 HydrophobicContact CB-CG1 3.56Å; H1860-I1948 HydrophobicContact CB-CD1 4.31Å; H1860-I1948 HydrophobicContact CB-CG1 4.06Å
1861G65.9Low77.8Confident4 Ų440.4 Ų40.44%0.04121%0.214CC..THydrogen-bonded Turntrans-107.3-130.4179.800000114K1857 Y1863K1857-G1861 CarbonylContact O-C 3.58Å; K1857-G1861 WeakPolarHBondContact O-CA 3.33Å; K1857-G1861 PolarHBondContact O-N 3.29Å; G1861-Y1863 WeakPolarHBondContact O-CD2 3.41Å; G1861-Y1863 WeakPolarHBondContact O-CE2 3.46Å
1862G69.5Low77Confident38 Ų3842.3 Ų42.339%0.39223%0.229SC..  trans75.523.5-166.700000114.6K1857 R1904 V1905K1857-G1862 PolarHBondContact O-N 2.94Å; G1862-R1904 WeakPolarHBondContact O-CG 3.37Å; G1862-V1905 PolarHBondContact O-N 3.41Å
1863Y76.1Confident76.7Confident25 Ų2545.1 Ų45.110%0.09825%0.253CS..EExtended strand (participates in β ladder)trans-111.8148.4177.2-66.9-109.4000111.3G1861 L1902 V1903 R1904 C1939 R1947G1861-Y1863 WeakPolarHBondContact O-CD2 3.41Å; G1861-Y1863 WeakPolarHBondContact O-CE2 3.46Å; Y1863-L1902 HydrophobicContact CD1-CB 4.21Å; Y1863-V1903 CarbonylContact C-O 3.56Å; Y1863-V1903 VanDerWaalsContact CA-O 3.27Å; Y1863-V1903 WeakPolarHBondContact CA-O 3.42Å; Y1863-R1904 HydrophobicContact CD1-CB 3.86Å; Y1863-R1904 HydrophobicContact CD1-CG 4.44Å; Y1863-R1904 HydrophobicContact CD2-CG 4.29Å; Y1863-R1904 HydrophobicContact CE1-CB 3.62Å; Y1863-R1904 HydrophobicContact CE1-CG 4.18Å; Y1863-R1904 HydrophobicContact CE2-CB 4.36Å; Y1863-R1904 HydrophobicContact CE2-CG 4.01Å; Y1863-R1904 HydrophobicContact CG-CB 4.33Å; Y1863-R1904 HydrophobicContact CG-CG 4.48Å; Y1863-C1939 VanDerWaalsContact O-CB 3.31Å; Y1863-C1939 WeakPolarHBondContact O-CB 3.35Å; Y1863-C1939 PolarHBondContact O-N 2.82Å; Y1863-C1939 PolarHBondContact O-SG 3.08Å; Y1863-C1939 VanDerWaalsContact O-SG 3.36Å; Y1863-R1947 VanDerWaalsContact CD1-NH1 3.27Å; Y1863-R1947 VanDerWaalsContact CE1-NH1 3.31Å
1864Y78.8Confident76.5Confident20 Ų2048.4 Ų48.48%0.07827%0.268CS..EExtended strand (participates in β ladder)trans-107.1130.6168.3-78.5-104.2000109.2V1866 L1902 V1903 V1905 L1917 S1937 R1938Y1864-V1866 PolarHBondContact O-N 2.66Å; Y1864-L1902 WeakPolarHBondContact O-CA 3.45Å; Y1864-V1903 PolarHBondContact N-O 3.37Å; Y1864-V1903 PolarHBondContact O-N 2.67Å; Y1864-V1905 HydrophobicContact CD2-CB 3.64Å; Y1864-V1905 HydrophobicContact CD2-CG1 4.33Å; Y1864-V1905 HydrophobicContact CD2-CG2 3.38Å; Y1864-V1905 HydrophobicContact CE2-CB 3.85Å; Y1864-V1905 HydrophobicContact CE2-CG1 4.09Å; Y1864-V1905 HydrophobicContact CE2-CG2 3.99Å; Y1864-V1905 HydrophobicContact CG-CG2 4.07Å; Y1864-L1917 HydrophobicContact CD1-CD1 4.07Å; Y1864-L1917 HydrophobicContact CE1-CD1 3.77Å; Y1864-L1917 HydrophobicContact CE2-CD1 4.3Å; Y1864-L1917 HydrophobicContact CG-CD1 4.47Å; Y1864-S1937 CarbonylContact C-O 3.58Å; Y1864-S1937 WeakPolarHBondContact CA-O 3.18Å; Y1864-R1938 HydrophobicContact CD1-CB 4.49Å; Y1864-R1938 HydrophobicContact CE1-CB 4.13Å
1865A78Confident76.4Confident1 Ų141.4 Ų41.41%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-85.7105.6172.100000108.9L1902 S1937A1865-L1902 HydrophobicContact CB-CD2 3.51Å; A1865-S1937 PolarHBondContact N-O 3.43Å; A1865-S1937 PolarHBondContact O-N 3.23Å; A1865-S1937 PolarHBondContact O-OG 3.01Å
1866V80.9Confident76.2Confident0 Ų036.7 Ų36.70%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2130.7171.1-168.50000107.9Y1864 R1900 F1901 V1903 L1924 L1936Y1864-V1866 PolarHBondContact O-N 2.66Å; V1866-R1900 WeakPolarHBondContact O-CA 3.28Å; V1866-F1901 HydrophobicContact CB-CD1 4.25Å; V1866-F1901 HydrophobicContact CB-CD2 4.15Å; V1866-F1901 HydrophobicContact CB-CE1 3.82Å; V1866-F1901 HydrophobicContact CB-CE2 3.73Å; V1866-F1901 HydrophobicContact CB-CG 4.39Å; V1866-F1901 HydrophobicContact CB-CZ 3.55Å; V1866-F1901 HydrophobicContact CG1-CE1 3.78Å; V1866-F1901 HydrophobicContact CG1-CE2 4.15Å; V1866-F1901 HydrophobicContact CG1-CZ 3.5Å; V1866-F1901 HydrophobicContact CG2-CD2 4.2Å; V1866-F1901 HydrophobicContact CG2-CE2 3.68Å; V1866-F1901 HydrophobicContact CG2-CZ 3.94Å; V1866-F1901 PolarHBondContact N-O 3.31Å; V1866-F1901 PolarHBondContact O-N 3.17Å; V1866-V1903 HydrophobicContact CG2-CG2 4.19Å; V1866-L1924 HydrophobicContact CB-CD1 4.41Å; V1866-L1924 HydrophobicContact CG1-CD1 3.69Å; V1866-L1924 HydrophobicContact CG1-CD2 3.79Å; V1866-L1924 HydrophobicContact CG1-CG 4.4Å; V1866-L1924 HydrophobicContact CG2-CD1 3.77Å; V1866-L1924 HydrophobicContact CG2-CD2 4.5Å; V1866-L1936 HydrophobicContact CG2-CD2 3.98Å
1867T78.8Confident76.2Confident21 Ų2141.4 Ų41.413%0.12925%0.252CS..EExtended strand (participates in β ladder)trans-126111.4171.7-52.60000109.1F1869 F1934 S1935T1867-F1869 HydrophobicContact CG2-CE1 4.24Å; T1867-F1869 HydrophobicContact CG2-CZ 4.11Å; T1867-F1934 CarbonylContact O-C 3.52Å; T1867-F1934 WeakPolarHBondContact O-CA 3.42Å; T1867-S1935 PolarHBondContact N-O 3.48Å; T1867-S1935 PolarHBondContact O-N 2.69Å
1868C82.4Confident76.3Confident0 Ų039.5 Ų39.50%024%0.244CC..EExtended strand (participates in β ladder)trans-99.1109.4178.9-610000109.7C1870 L1878 S1898 L1899 A1932 R1933C1868-C1870 PolarHBondContact O-N 3.03Å; C1868-L1878 HydrophobicContact CB-CD2 3.48Å; C1868-L1878 VanDerWaalsContact CB-CD2 3.48Å; C1868-S1898 CarbonylContact O-C 3.51Å; C1868-S1898 WeakPolarHBondContact O-CA 3.35Å; C1868-L1899 PolarHBondContact N-O 3.42Å; C1868-L1899 PolarHBondContact O-N 3.33Å; C1868-A1932 HydrophobicContact CB-CB 4.05Å; C1868-R1933 CarbonylContact C-O 3.25Å; C1868-R1933 WeakPolarHBondContact CA-O 3.47Å
1869F78.2Confident76.6Confident12 Ų1236.2 Ų36.25%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-74.9107.4174.8-57.5-79.7000109.9Q1070 C1073 T1074 T1867 R1933Q1070-F1869 HydrophobicContact CG-CB 4.18Å; Q1070-F1869 HydrophobicContact CG-CD1 4.15Å; Q1070-F1869 HydrophobicContact CG-CG 4.23Å; C1073-F1869 HydrophobicContact CB-CE2 4.47Å; C1073-F1869 HydrophobicContact CB-CZ 4.16Å; T1074-F1869 HydrophobicContact CG2-CD2 3.57Å; T1074-F1869 HydrophobicContact CG2-CE2 3.53Å; T1867-F1869 HydrophobicContact CG2-CE1 4.24Å; T1867-F1869 HydrophobicContact CG2-CZ 4.11Å; F1869-R1933 WeakPolarHBondContact CD2-O 3.24Å; F1869-R1933 PolarHBondContact N-O 3.18Å; F1869-R1933 PolarHBondContact O-N 3.18Å
1870C78.4Confident76.9Confident6 Ų639.1 Ų39.14%0.04123%0.226CC..  trans-157.4152.9178.857.20000110.8C1868 Q1874 Q1875 H1897 S1898 A1932C1868-C1870 PolarHBondContact O-N 3.03Å; C1870-Q1874 HydrophobicContact CB-CB 3.77Å; C1870-Q1875 PolarHBondContact O-NE2 3.43Å; C1870-Q1875 WeakPolarHBondContact SG-CG 3.34Å; C1870-H1897 CarbonylContact O-C 3.55Å; C1870-H1897 WeakPolarHBondContact O-CA 3.24Å; C1870-S1898 PolarHBondContact O-N 2.88Å; C1870-A1932 HydrophobicContact CB-CB 3.78Å
1871G75Confident77.3Confident21 Ų2138.3 Ų38.322%0.21623%0.227CC..  trans-71.9166179.800000112.8A1873 Q1874 Q1875G1871-A1873 VanDerWaalsContact C-N 3.29Å; G1871-A1873 PolarHBondContact O-N 2.92Å; G1871-Q1874 WeakPolarHBondContact O-CA 3.39Å; G1871-Q1874 WeakPolarHBondContact O-CB 3.44Å; G1871-Q1874 PolarHBondContact O-N 3.35Å; G1871-Q1875 WeakPolarHBondContact O-CG 3.22Å; G1871-Q1875 PolarHBondContact O-N 2.91Å
1872P71.6Confident77.9Confident89 Ų8938.1 Ų38.158%0.57823%0.225SC*.Hα-helixtrans-61.8-33.8-169.123.4-33.1000113.5Q1875 A1876 A1896P1872-Q1875 PolarHBondContact O-N 3.48Å; P1872-A1876 PolarHBondContact O-N 3.45Å; P1872-A1896 WeakPolarHBondContact CD-O 3.39Å
1873A77.5Confident78.2Confident80 Ų8041.3 Ų41.366%0.66123%0.233SC*.Hα-helixtrans-66.5-39.3173.900000112.8G1871G1871-A1873 VanDerWaalsContact C-N 3.29Å; G1871-A1873 PolarHBondContact O-N 2.92Å
1874Q79.1Confident78.4Confident80 Ų8047.7 Ų47.737%0.37426%0.264SS..Hα-helixtrans-70.3-34.7177.3-68.6166.2-42.500111.5C1870 G1871 A1876 I1877 L1878 V1931C1870-Q1874 HydrophobicContact CB-CB 3.77Å; G1871-Q1874 WeakPolarHBondContact O-CA 3.39Å; G1871-Q1874 WeakPolarHBondContact O-CB 3.44Å; G1871-Q1874 PolarHBondContact O-N 3.35Å; Q1874-A1876 VanDerWaalsContact C-N 3.29Å; Q1874-A1876 PolarHBondContact O-N 3.33Å; Q1874-I1877 WeakPolarHBondContact O-CB 3.45Å; Q1874-I1877 PolarHBondContact O-N 3.38Å; Q1874-I1877 VanDerWaalsContact O-N 3.14Å; Q1874-L1878 WeakPolarHBondContact O-CB 3.47Å; Q1874-L1878 PolarHBondContact O-N 3.01Å; Q1874-V1931 HydrophobicContact CB-CG1 4.18Å; Q1874-V1931 PolarHBondContact NE2-O 3.02Å
1875Q77.3Confident78.3Confident9 Ų952.6 Ų52.64%0.04228%0.282CS..Hα-helixtrans-61.1-35.8177.3-68.1174.831.200113.3C1870 G1871 P1872 I1877 L1878 S1879 H1894 Y1895 A1896 L1899C1870-Q1875 PolarHBondContact O-NE2 3.43Å; C1870-Q1875 WeakPolarHBondContact SG-CG 3.34Å; G1871-Q1875 WeakPolarHBondContact O-CG 3.22Å; G1871-Q1875 PolarHBondContact O-N 2.91Å; P1872-Q1875 PolarHBondContact O-N 3.48Å; Q1875-I1877 VanDerWaalsContact C-N 3.28Å; Q1875-I1877 PolarHBondContact O-N 3.13Å; Q1875-L1878 PolarHBondContact O-N 3.03Å; Q1875-S1879 WeakPolarHBondContact O-CB 3.48Å; Q1875-S1879 PolarHBondContact O-N 3.11Å; Q1875-S1879 PolarHBondContact O-OG 3.08Å; Q1875-S1879 VanDerWaalsContact O-OG 3.13Å; Q1875-H1894 PolarHBondContact OE1-ND1 3.45Å; Q1875-Y1895 PolarHBondContact NE2-O 3.04Å; Q1875-Y1895 PolarHBondContact OE1-O 3.49Å; Q1875-A1896 PolarHBondContact NE2-O 3.13Å; Q1875-L1899 HydrophobicContact CG-CB 4.26Å
1876A76.7Confident78.2Confident49 Ų4952.9 Ų52.941%0.40528%0.284SS..Hα-helixtrans-71.8-21.917800000113.3P1872 Q1874 R1880P1872-A1876 PolarHBondContact O-N 3.45Å; Q1874-A1876 VanDerWaalsContact C-N 3.29Å; Q1874-A1876 PolarHBondContact O-N 3.33Å; A1876-R1880 WeakPolarHBondContact O-CD 3.39Å; A1876-R1880 WeakPolarHBondContact O-CG 3.33Å
1877I81.1Confident77.7Confident100 Ų10058.5 Ų58.551%0.51332%0.32SS..Hα-helixtrans-79.9-52.9169.6-59170000108.4Q1874 Q1875 S1879 R1880 S1881Q1874-I1877 WeakPolarHBondContact O-CB 3.45Å; Q1874-I1877 PolarHBondContact O-N 3.38Å; Q1874-I1877 VanDerWaalsContact O-N 3.14Å; Q1875-I1877 VanDerWaalsContact C-N 3.28Å; Q1875-I1877 PolarHBondContact O-N 3.13Å; I1877-S1879 PolarHBondContact O-N 3.25Å; I1877-R1880 WeakPolarHBondContact O-CB 3.32Å; I1877-R1880 PolarHBondContact O-N 3.06Å; I1877-R1880 VanDerWaalsContact O-N 3.11Å; I1877-S1881 PolarHBondContact O-N 2.94Å; I1877-S1881 VanDerWaalsContact O-N 3.16Å; I1877-S1881 PolarHBondContact O-OG 3.42Å
1878L79.2Confident77.3Confident2 Ų259.3 Ų59.31%0.0133%0.333CS..Hα-helixtrans-57.6-42.9-176.5-169.769.7000112.6C1868 Q1874 Q1875 R1880 S1881 L1882 L1899 V1927 V1931 A1932C1868-L1878 HydrophobicContact CB-CD2 3.48Å; C1868-L1878 VanDerWaalsContact CB-CD2 3.48Å; Q1874-L1878 WeakPolarHBondContact O-CB 3.47Å; Q1874-L1878 PolarHBondContact O-N 3.01Å; Q1875-L1878 PolarHBondContact O-N 3.03Å; L1878-R1880 VanDerWaalsContact C-N 3.32Å; L1878-R1880 PolarHBondContact O-N 3.48Å; L1878-S1881 PolarHBondContact O-N 3.26Å; L1878-L1882 HydrophobicContact CD2-CD1 4.42Å; L1878-L1882 HydrophobicContact CG-CD1 3.9Å; L1878-L1882 HydrophobicContact CG-CG 4.32Å; L1878-L1882 WeakPolarHBondContact O-CB 3.45Å; L1878-L1882 WeakPolarHBondContact O-CG 3.29Å; L1878-L1882 PolarHBondContact O-N 3.01Å; L1878-L1899 HydrophobicContact CB-CD2 4.23Å; L1878-L1899 HydrophobicContact CD2-CB 4.19Å; L1878-L1899 HydrophobicContact CD2-CD2 3.81Å; L1878-L1899 HydrophobicContact CG-CD2 4.02Å; L1878-V1927 HydrophobicContact CD1-CG1 3.69Å; L1878-V1931 HydrophobicContact CD1-CG1 4.38Å; L1878-A1932 HydrophobicContact CD2-CB 4.36Å
1879S79.7Confident76.8Confident20 Ų2060.6 Ų60.614%0.1434%0.343CS..Hα-helixtrans-64.9-32.6178.863.70000113.3Q1875 I1877 N1883Q1875-S1879 WeakPolarHBondContact O-CB 3.48Å; Q1875-S1879 PolarHBondContact O-N 3.11Å; Q1875-S1879 PolarHBondContact O-OG 3.08Å; Q1875-S1879 VanDerWaalsContact O-OG 3.13Å; I1877-S1879 PolarHBondContact O-N 3.25Å; S1879-N1883 VanDerWaalsContact O-CG 3.31Å; S1879-N1883 PolarHBondContact O-N 3.09Å
1880R79.3Confident76.5Confident186 Ų18667.2 Ų67.270%0.70237%0.368SS*.Hα-helixtrans-68.4-47.2174.2-65.9173.6-179.3-173.60.3110.9A1876 I1877 L1878 N1883 Q1884A1876-R1880 WeakPolarHBondContact O-CD 3.39Å; A1876-R1880 WeakPolarHBondContact O-CG 3.33Å; I1877-R1880 WeakPolarHBondContact O-CB 3.32Å; I1877-R1880 PolarHBondContact O-N 3.06Å; I1877-R1880 VanDerWaalsContact O-N 3.11Å; L1878-R1880 VanDerWaalsContact C-N 3.32Å; L1878-R1880 PolarHBondContact O-N 3.48Å; R1880-N1883 PolarHBondContact O-N 3.44Å; R1880-Q1884 WeakPolarHBondContact O-CG 3.4Å; R1880-Q1884 PolarHBondContact O-N 3.2Å
1881S79.1Confident76Confident41 Ų4170.5 Ų70.529%0.28739%0.385SS..Hα-helixtrans-65.5-37.9178.3-57.60000112.9I1877 L1878 Q1884 R1885I1877-S1881 PolarHBondContact O-N 2.94Å; I1877-S1881 VanDerWaalsContact O-N 3.16Å; I1877-S1881 PolarHBondContact O-OG 3.42Å; L1878-S1881 PolarHBondContact O-N 3.26Å; S1881-Q1884 PolarHBondContact O-N 2.97Å; S1881-R1885 PolarHBondContact O-N 3.36Å; S1881-R1885 VanDerWaalsContact O-N 3.14Å
1882L78.7Confident76.1Confident1 Ų172 Ų721%0.00539%0.388CS..Hα-helixtrans-64.3-46.6176.7-75.4169.9000112.1L1878 Q1884 R1885 L1886 L1899 F1901 V1927L1878-L1882 HydrophobicContact CD2-CD1 4.42Å; L1878-L1882 HydrophobicContact CG-CD1 3.9Å; L1878-L1882 HydrophobicContact CG-CG 4.32Å; L1878-L1882 WeakPolarHBondContact O-CB 3.45Å; L1878-L1882 WeakPolarHBondContact O-CG 3.29Å; L1878-L1882 PolarHBondContact O-N 3.01Å; L1882-Q1884 PolarHBondContact O-N 3.34Å; L1882-R1885 PolarHBondContact O-N 3.24Å; L1882-L1886 HydrophobicContact CD2-CD1 3.91Å; L1882-L1886 WeakPolarHBondContact O-CA 3.33Å; L1882-L1886 PolarHBondContact O-N 2.95Å; L1882-L1899 HydrophobicContact CD1-CD2 3.64Å; L1882-F1901 HydrophobicContact CD1-CD1 3.85Å; L1882-F1901 HydrophobicContact CD1-CE1 3.37Å; L1882-F1901 HydrophobicContact CD1-CE2 4.45Å; L1882-F1901 HydrophobicContact CD1-CZ 3.71Å; L1882-F1901 HydrophobicContact CD2-CE1 3.98Å; L1882-F1901 HydrophobicContact CD2-CE2 3.88Å; L1882-F1901 HydrophobicContact CD2-CZ 3.38Å; L1882-F1901 HydrophobicContact CG-CE1 4.34Å; L1882-F1901 HydrophobicContact CG-CZ 4.2Å; L1882-V1927 HydrophobicContact CD2-CG1 4Å; L1882-V1927 HydrophobicContact CG-CG1 4.3Å
1883N76.9Confident76.1Confident105 Ų10570.4 Ų70.456%0.56137%0.373SS*.Hα-helixtrans-62.7-23.8178.4-72.7-4000113.1S1879 R1880S1879-N1883 VanDerWaalsContact O-CG 3.31Å; S1879-N1883 PolarHBondContact O-N 3.09Å; R1880-N1883 PolarHBondContact O-N 3.44Å
1884Q78.8Confident75.8Confident158 Ų15870 Ų7074%0.73836%0.357SS*.Hα-helixtrans-82.3-37.6176.2-71174.8-19.800113.3R1880 S1881 L1882R1880-Q1884 WeakPolarHBondContact O-CG 3.4Å; R1880-Q1884 PolarHBondContact O-N 3.2Å; S1881-Q1884 PolarHBondContact O-N 2.97Å; L1882-Q1884 PolarHBondContact O-N 3.34Å
1885R77Confident75.3Confident123 Ų12367.9 Ų67.946%0.46435%0.346SS..Hα-helixtrans-102.4-19.6-173.3-74.6176163-159-6.5115.1S1881 L1882 I1923 D1926 V1927S1881-R1885 PolarHBondContact O-N 3.36Å; S1881-R1885 VanDerWaalsContact O-N 3.14Å; L1882-R1885 PolarHBondContact O-N 3.24Å; R1885-I1923 HydrophobicContact CB-CG2 4.42Å; R1885-D1926 IonicContact CZ-OD2 2.7Å; R1885-D1926 IonicContact NH1-OD2 3.53Å; R1885-D1926 PolarHBondContact NH1-OD2 3.38Å; R1885-D1926 IonicContact NH2-OD2 3.8Å; R1885-D1926 PolarHBondContact NH2-OD2 3.43Å; R1885-V1927 HydrophobicContact CB-CG2 4.45Å; R1885-V1927 VanDerWaalsContact CD-CG2 3.45Å
1886L76Confident74.7Confident7 Ų768.6 Ų68.64%0.03735%0.353CS..  trans-130.369.4-180-73170.5000110.3L1882 G1888 A1889 F1901 V1903 P1915 L1920 I1923 L1924L1882-L1886 HydrophobicContact CD2-CD1 3.91Å; L1882-L1886 WeakPolarHBondContact O-CA 3.33Å; L1882-L1886 PolarHBondContact O-N 2.95Å; L1886-G1888 PolarHBondContact O-N 2.99Å; L1886-G1888 VanDerWaalsContact O-N 3.07Å; L1886-A1889 HydrophobicContact CB-CB 4.24Å; L1886-A1889 WeakPolarHBondContact O-CB 3.48Å; L1886-A1889 PolarHBondContact O-N 3.28Å; L1886-F1901 HydrophobicContact CD1-CE2 4.09Å; L1886-V1903 HydrophobicContact CD1-CG2 4.41Å; L1886-P1915 HydrophobicContact CD2-CG 4.46Å; L1886-L1920 HydrophobicContact CD1-CD1 4.1Å; L1886-L1920 HydrophobicContact CD2-CD1 4.15Å; L1886-I1923 HydrophobicContact CD1-CG2 3.96Å; L1886-I1923 HydrophobicContact CD2-CD1 4.07Å; L1886-I1923 HydrophobicContact CD2-CG2 4.07Å; L1886-I1923 HydrophobicContact CG-CG2 3.85Å; L1886-L1924 HydrophobicContact CD1-CD2 4.27Å
1887P69.8Low74.5Confident118 Ų11869.8 Ų69.877%0.76635%0.35SS*.THydrogen-bonded Turntrans-61.3-17176.626.3-35.4000113.4A1889P1887-A1889 VanDerWaalsContact C-N 3.32Å
1888G70.5Confident74.2Confident38 Ų3865.4 Ų65.439%0.39233%0.329SS..THydrogen-bonded Turntrans-80.1-0.5170.900000115.6L1886L1886-G1888 PolarHBondContact O-N 2.99Å; L1886-G1888 VanDerWaalsContact O-N 3.07Å
1889A73.5Confident74.3Confident27 Ų2765.3 Ų65.322%0.22333%0.328CS..EExtended strand (participates in β ladder)trans-71.3127.3177.200000111.3L1886 P1887 F1901 V1903L1886-A1889 HydrophobicContact CB-CB 4.24Å; L1886-A1889 WeakPolarHBondContact O-CB 3.48Å; L1886-A1889 PolarHBondContact O-N 3.28Å; P1887-A1889 VanDerWaalsContact C-N 3.32Å; A1889-F1901 HydrophobicContact CB-CD2 3.94Å; A1889-V1903 HydrophobicContact CB-CG2 4.41Å
1890R71.6Confident74.3Confident152 Ų15266.7 Ų66.757%0.57433%0.33SS*.EExtended strand (participates in β ladder)trans-121.8164.4177.1-62.1-172.9-179.3-166.2-2110.9L1892 L1902R1890-L1892 PolarHBondContact O-N 3.38Å; R1890-L1902 PolarHBondContact N-O 2.86Å; R1890-L1902 PolarHBondContact O-N 2.9Å
1891D67.9Low74.5Confident74 Ų7457.9 Ų57.940%0.39630%0.297SS..EExtended strand (participates in β ladder)trans55.452172.3-47.6-33.7000113.4Q1893 L1902 R1947D1891-Q1893 PolarHBondContact O-N 3.05Å; D1891-Q1893 VanDerWaalsContact O-N 3.08Å; D1891-L1902 HydrophobicContact CB-CD1 4.27Å; D1891-L1902 HydrophobicContact CB-CG 4.24Å; D1891-R1947 IonicContact OD2-CZ 3.81Å; D1891-R1947 IonicContact OD2-NE 3.13Å; D1891-R1947 PolarHBondContact OD2-NE 3.1Å; D1891-R1947 IonicContact OD2-NH2 3.92Å; D1891-R1947 PolarHBondContact OD2-NH2 2.96Å
1892L77.4Confident74.6Confident53 Ų5356.3 Ų56.328%0.27729%0.285SS..EExtended strand (participates in β ladder)trans-68100.5178.9-169.669.2000111.1R1890 L1899 F1901 Y1988R1890-L1892 PolarHBondContact O-N 3.38Å; L1892-L1899 HydrophobicContact CD1-CD1 3.7Å; L1892-L1899 HydrophobicContact CD1-CD2 4.04Å; L1892-L1899 HydrophobicContact CD1-CG 3.86Å; L1892-L1899 HydrophobicContact CG-CD1 4.08Å; L1892-F1901 HydrophobicContact CD1-CB 3.91Å; L1892-F1901 HydrophobicContact CD1-CD1 4.32Å; L1892-F1901 HydrophobicContact CD1-CG 4.4Å; L1892-Y1988 PolarHBondContact O-OH 3.2Å
1893Q71.8Confident74.8Confident55 Ų5556.3 Ų56.326%0.25729%0.285SS..EExtended strand (participates in β ladder)trans-102.1111.7-177.8-69.7173.224.600109.7D1891 Y1895 R1900D1891-Q1893 PolarHBondContact O-N 3.05Å; D1891-Q1893 VanDerWaalsContact O-N 3.08Å; Q1893-Y1895 HydrophobicContact CB-CE1 3.97Å; Q1893-Y1895 HydrophobicContact CB-CE2 4.41Å; Q1893-Y1895 PolarHBondContact OE1-OH 2.65Å; Q1893-R1900 HydrophobicContact CB-CB 4.35Å; Q1893-R1900 PolarHBondContact N-O 3.38Å; Q1893-R1900 PolarHBondContact O-N 3.23Å
1894H71.4Confident75Confident72 Ų7257.7 Ų57.733%0.33328%0.283SS..EExtended strand (participates in β ladder)trans-83.9133.8172.2-76.3-87.1000110.9Q1875 L1899 Y1988Q1875-H1894 PolarHBondContact OE1-ND1 3.45Å; H1894-L1899 VanDerWaalsContact CE1-CD1 3.43Å; H1894-L1899 WeakPolarHBondContact CE1-CD1 3.12Å; H1894-L1899 WeakPolarHBondContact ND1-CD1 3.38Å; H1894-Y1988 PolarHBondContact N-OH 3.32Å
1895Y68.3Low74.9Confident36 Ų3651 Ų5114%0.14125%0.253CS..EExtended strand (participates in β ladder)trans-141.1146.3178.4-47.6-54.5000108.4Y1047 Q1875 Q1893 H1897 S1898 R1900Y1047-Y1895 HydrophobicContact CD2-CG 4.5Å; Y1047-Y1895 AromaticContact CE2-CD1 3.39Å; Y1047-Y1895 HydrophobicContact CE2-CD1 3.39Å; Y1047-Y1895 AromaticContact CE2-CD2 3.92Å; Y1047-Y1895 HydrophobicContact CE2-CD2 3.92Å; Y1047-Y1895 AromaticContact CE2-CE1 3.81Å; Y1047-Y1895 HydrophobicContact CE2-CE1 3.81Å; Y1047-Y1895 HydrophobicContact CE2-CE2 4.25Å; Y1047-Y1895 AromaticContact CE2-CG 3.43Å; Y1047-Y1895 HydrophobicContact CE2-CG 3.43Å; Y1047-Y1895 VanDerWaalsContact CE2-CG 3.43Å; Y1047-Y1895 AromaticContact CZ-CD1 3.79Å; Y1047-Y1895 WeakPolarHBondContact OH-CB 3.2Å; Y1047-Y1895 WeakPolarHBondContact OH-CD1 3.17Å; Q1875-Y1895 PolarHBondContact NE2-O 3.04Å; Q1875-Y1895 PolarHBondContact OE1-O 3.49Å; Q1893-Y1895 HydrophobicContact CB-CE1 3.97Å; Q1893-Y1895 HydrophobicContact CB-CE2 4.41Å; Q1893-Y1895 PolarHBondContact OE1-OH 2.65Å; Y1895-H1897 PolarHBondContact O-N 3.47Å; Y1895-S1898 VanDerWaalsContact CB-O 3.27Å; Y1895-S1898 WeakPolarHBondContact CB-O 3.34Å; Y1895-S1898 WeakPolarHBondContact CD2-O 3.48Å; Y1895-S1898 WeakPolarHBondContact CD2-OG 3.47Å; Y1895-S1898 PolarHBondContact N-O 2.85Å; Y1895-S1898 PolarHBondContact O-N 2.96Å; Y1895-S1898 VanDerWaalsContact O-N 3.15Å; Y1895-S1898 VanDerWaalsContact O-O 3.07Å; Y1895-R1900 HydrophobicContact CD2-CB 4.32Å; Y1895-R1900 HydrophobicContact CE2-CB 3.68Å
1896A64Low74.9Confident24 Ų2449.1 Ų49.120%0.19825%0.246CC..THydrogen-bonded Turntrans-43.2-40.1-171.200000116.5E1027 P1872 Q1875E1027-A1896 HydrophobicContact CG-CB 4.32Å; E1027-A1896 WeakPolarHBondContact OE1-CA 3.34Å; E1027-A1896 WeakPolarHBondContact OE1-CB 3.27Å; E1027-A1896 PolarHBondContact OE1-N 2.94Å; P1872-A1896 WeakPolarHBondContact CD-O 3.39Å; Q1875-A1896 PolarHBondContact NE2-O 3.13Å
1897H71.6Confident74.5Confident73 Ų7352.6 Ų52.634%0.33827%0.271SS..THydrogen-bonded Turntrans-126.823-173-54.3-54.3000113.8R1030 D1050 C1870 Y1895R1030-H1897 PolarHBondContact NH1-NE2 3.35Å; D1050-H1897 VanDerWaalsContact CG-NE2 3.33Å; D1050-H1897 IonicContact OD1-CD2 3.23Å; D1050-H1897 IonicContact OD1-NE2 2.76Å; D1050-H1897 PolarHBondContact OD1-NE2 3.21Å; C1870-H1897 CarbonylContact O-C 3.55Å; C1870-H1897 WeakPolarHBondContact O-CA 3.24Å; Y1895-H1897 PolarHBondContact O-N 3.47Å
1898S76.5Confident74.2Confident9 Ų949 Ų496%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-168140.7175.145.70000112.9C1868 C1870 Y1895C1868-S1898 CarbonylContact O-C 3.51Å; C1868-S1898 WeakPolarHBondContact O-CA 3.35Å; C1870-S1898 PolarHBondContact O-N 2.88Å; Y1895-S1898 VanDerWaalsContact CB-O 3.27Å; Y1895-S1898 WeakPolarHBondContact CB-O 3.34Å; Y1895-S1898 WeakPolarHBondContact CD2-O 3.48Å; Y1895-S1898 WeakPolarHBondContact CD2-OG 3.47Å; Y1895-S1898 PolarHBondContact N-O 2.85Å; Y1895-S1898 PolarHBondContact O-N 2.96Å; Y1895-S1898 VanDerWaalsContact O-N 3.15Å; Y1895-S1898 VanDerWaalsContact O-O 3.07Å
1899L80.9Confident73.9Confident0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-99.2127.6167.4-170.361.8000109.7C1868 Q1875 L1878 L1882 L1892 H1894C1868-L1899 PolarHBondContact N-O 3.42Å; C1868-L1899 PolarHBondContact O-N 3.33Å; Q1875-L1899 HydrophobicContact CG-CB 4.26Å; L1878-L1899 HydrophobicContact CB-CD2 4.23Å; L1878-L1899 HydrophobicContact CD2-CB 4.19Å; L1878-L1899 HydrophobicContact CD2-CD2 3.81Å; L1878-L1899 HydrophobicContact CG-CD2 4.02Å; L1882-L1899 HydrophobicContact CD1-CD2 3.64Å; L1892-L1899 HydrophobicContact CD1-CD1 3.7Å; L1892-L1899 HydrophobicContact CD1-CD2 4.04Å; L1892-L1899 HydrophobicContact CD1-CG 3.86Å; L1892-L1899 HydrophobicContact CG-CD1 4.08Å; H1894-L1899 VanDerWaalsContact CE1-CD1 3.43Å; H1894-L1899 WeakPolarHBondContact CE1-CD1 3.12Å; H1894-L1899 WeakPolarHBondContact ND1-CD1 3.38Å
1900R78.6Confident73.5Confident48 Ų4852.3 Ų52.318%0.18127%0.272CS..EExtended strand (participates in β ladder)trans-117.3139.3176.1-175.6-178.6-177.2-1712.1110.8V1866 Q1893 Y1895V1866-R1900 WeakPolarHBondContact O-CA 3.28Å; Q1893-R1900 HydrophobicContact CB-CB 4.35Å; Q1893-R1900 PolarHBondContact N-O 3.38Å; Q1893-R1900 PolarHBondContact O-N 3.23Å; Y1895-R1900 HydrophobicContact CD2-CB 4.32Å; Y1895-R1900 HydrophobicContact CE2-CB 3.68Å
1901F84.9Confident72.9Confident1 Ų152.9 Ų52.90%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-152.1158.9175.255.4-79.3000111V1866 L1882 L1886 A1889 L1892 V1903 L1924V1866-F1901 HydrophobicContact CB-CD1 4.25Å; V1866-F1901 HydrophobicContact CB-CD2 4.15Å; V1866-F1901 HydrophobicContact CB-CE1 3.82Å; V1866-F1901 HydrophobicContact CB-CE2 3.73Å; V1866-F1901 HydrophobicContact CB-CG 4.39Å; V1866-F1901 HydrophobicContact CB-CZ 3.55Å; V1866-F1901 HydrophobicContact CG1-CE1 3.78Å; V1866-F1901 HydrophobicContact CG1-CE2 4.15Å; V1866-F1901 HydrophobicContact CG1-CZ 3.5Å; V1866-F1901 HydrophobicContact CG2-CD2 4.2Å; V1866-F1901 HydrophobicContact CG2-CE2 3.68Å; V1866-F1901 HydrophobicContact CG2-CZ 3.94Å; V1866-F1901 PolarHBondContact N-O 3.31Å; V1866-F1901 PolarHBondContact O-N 3.17Å; L1882-F1901 HydrophobicContact CD1-CD1 3.85Å; L1882-F1901 HydrophobicContact CD1-CE1 3.37Å; L1882-F1901 HydrophobicContact CD1-CE2 4.45Å; L1882-F1901 HydrophobicContact CD1-CZ 3.71Å; L1882-F1901 HydrophobicContact CD2-CE1 3.98Å; L1882-F1901 HydrophobicContact CD2-CE2 3.88Å; L1882-F1901 HydrophobicContact CD2-CZ 3.38Å; L1882-F1901 HydrophobicContact CG-CE1 4.34Å; L1882-F1901 HydrophobicContact CG-CZ 4.2Å; L1886-F1901 HydrophobicContact CD1-CE2 4.09Å; A1889-F1901 HydrophobicContact CB-CD2 3.94Å; L1892-F1901 HydrophobicContact CD1-CB 3.91Å; L1892-F1901 HydrophobicContact CD1-CD1 4.32Å; L1892-F1901 HydrophobicContact CD1-CG 4.4Å; F1901-V1903 HydrophobicContact CD2-CG2 3.64Å; F1901-V1903 HydrophobicContact CE2-CG2 3.65Å; F1901-L1924 HydrophobicContact CE2-CD2 4.36Å; F1901-L1924 HydrophobicContact CZ-CD2 3.8Å
1902L81.1Confident72.7Confident8 Ų851.4 Ų51.44%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-112.8114.1-177-55.7-170.1000109.8Y1863 Y1864 A1865 R1890 D1891Y1863-L1902 HydrophobicContact CD1-CB 4.21Å; Y1864-L1902 WeakPolarHBondContact O-CA 3.45Å; A1865-L1902 HydrophobicContact CB-CD2 3.51Å; R1890-L1902 PolarHBondContact N-O 2.86Å; R1890-L1902 PolarHBondContact O-N 2.9Å; D1891-L1902 HydrophobicContact CB-CD1 4.27Å; D1891-L1902 HydrophobicContact CB-CG 4.24Å
1903V83Confident72.3Confident1 Ų157.6 Ų57.61%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-101.4132.3174.7-1740000108.8Y1863 Y1864 V1866 L1886 A1889 F1901 P1915 L1920Y1863-V1903 CarbonylContact C-O 3.56Å; Y1863-V1903 VanDerWaalsContact CA-O 3.27Å; Y1863-V1903 WeakPolarHBondContact CA-O 3.42Å; Y1864-V1903 PolarHBondContact N-O 3.37Å; Y1864-V1903 PolarHBondContact O-N 2.67Å; V1866-V1903 HydrophobicContact CG2-CG2 4.19Å; L1886-V1903 HydrophobicContact CD1-CG2 4.41Å; A1889-V1903 HydrophobicContact CB-CG2 4.41Å; F1901-V1903 HydrophobicContact CD2-CG2 3.64Å; F1901-V1903 HydrophobicContact CE2-CG2 3.65Å; V1903-P1915 HydrophobicContact CG1-CG 3.93Å; V1903-L1920 HydrophobicContact CB-CD1 4.26Å; V1903-L1920 HydrophobicContact CB-CD2 4.18Å; V1903-L1920 HydrophobicContact CG1-CD1 4.11Å; V1903-L1920 HydrophobicContact CG1-CD2 4.33Å; V1903-L1920 HydrophobicContact CG2-CD1 4.09Å
1904R80.2Confident72.2Confident134 Ų13456.1 Ų56.151%0.50632%0.319SS..EExtended strand (participates in β ladder)trans-74.4128.3169.4-162178.4-170.8172.73.9108.2G1862 Y1863G1862-R1904 WeakPolarHBondContact O-CG 3.37Å; Y1863-R1904 HydrophobicContact CD1-CB 3.86Å; Y1863-R1904 HydrophobicContact CD1-CG 4.44Å; Y1863-R1904 HydrophobicContact CD2-CG 4.29Å; Y1863-R1904 HydrophobicContact CE1-CB 3.62Å; Y1863-R1904 HydrophobicContact CE1-CG 4.18Å; Y1863-R1904 HydrophobicContact CE2-CB 4.36Å; Y1863-R1904 HydrophobicContact CE2-CG 4.01Å; Y1863-R1904 HydrophobicContact CG-CB 4.33Å; Y1863-R1904 HydrophobicContact CG-CG 4.48Å
1905V77.4Confident72.5Confident18 Ų1853.7 Ų53.711%0.10931%0.31CS..  trans-105.5135.6176.2170.40000109.1G1862 Y1864 S1907 P1915 L1917 L1920G1862-V1905 PolarHBondContact O-N 3.41Å; Y1864-V1905 HydrophobicContact CD2-CB 3.64Å; Y1864-V1905 HydrophobicContact CD2-CG1 4.33Å; Y1864-V1905 HydrophobicContact CD2-CG2 3.38Å; Y1864-V1905 HydrophobicContact CE2-CB 3.85Å; Y1864-V1905 HydrophobicContact CE2-CG1 4.09Å; Y1864-V1905 HydrophobicContact CE2-CG2 3.99Å; Y1864-V1905 HydrophobicContact CG-CG2 4.07Å; V1905-S1907 PolarHBondContact O-N 2.81Å; V1905-P1915 WeakPolarHBondContact CA-O 3.39Å; V1905-L1917 HydrophobicContact CG1-CB 4.2Å; V1905-L1920 HydrophobicContact CG2-CD2 3.51Å
1906R76.6Confident72.9Confident83 Ų8353.8 Ų53.831%0.31331%0.312SS..PPolyproline II helixtrans-66.3127.7176.3171.3177.6-175.6175.97.7110.3S1910 A1914 P1915 L1916R1906-S1910 WeakPolarHBondContact CD-O 3.26Å; R1906-S1910 WeakPolarHBondContact CG-O 3.48Å; R1906-S1910 PolarHBondContact NE-O 3.49Å; R1906-S1910 PolarHBondContact NH2-O 2.9Å; R1906-A1914 HydrophobicContact CB-CB 4.23Å; R1906-A1914 VanDerWaalsContact CB-O 3.23Å; R1906-A1914 WeakPolarHBondContact CB-O 3.4Å; R1906-P1915 PolarHBondContact N-O 2.83Å; R1906-L1916 HydrophobicContact CB-CD2 4.43Å; R1906-L1916 HydrophobicContact CG-CD2 4.25Å
1907S67.7Low73.5Confident81 Ų8153.1 Ų53.157%0.56631%0.305SS*.PPolyproline II helixtrans-68.7133.1163.4-172.20000108.5V1905 G1909 S1910V1905-S1907 PolarHBondContact O-N 2.81Å; S1907-G1909 PolarHBondContact O-N 3.19Å; S1907-S1910 PolarHBondContact O-N 3.44Å; S1907-S1910 VanDerWaalsContact O-N 3.11Å
1908P63.4Low73.8Confident42 Ų4249.8 Ų49.827%0.27329%0.291SS..THydrogen-bonded Turntrans-47.3131.4174.513.1-26.4000111.3V1142 T1143V1142-P1908 HydrophobicContact CB-CG 4.23Å; V1142-P1908 HydrophobicContact CG1-CG 3.62Å; T1143-P1908 HydrophobicContact CG2-CB 3.5Å
1909G63.8Low74Confident60 Ų6053.8 Ų53.862%0.61931%0.308SS*.THydrogen-bonded Turntrans96-35-175.800000116.4S1907S1907-G1909 PolarHBondContact O-N 3.19Å
1910S65.1Low74Confident75 Ų7553.8 Ų53.852%0.52431%0.308SS..  trans-77125.2-173.2-177.20000112.8R1906 S1907R1906-S1910 WeakPolarHBondContact CD-O 3.26Å; R1906-S1910 WeakPolarHBondContact CG-O 3.48Å; R1906-S1910 PolarHBondContact NE-O 3.49Å; R1906-S1910 PolarHBondContact NH2-O 2.9Å; S1907-S1910 PolarHBondContact O-N 3.44Å; S1907-S1910 VanDerWaalsContact O-N 3.11Å
1911L59.3Low73.9Confident163 Ų16351.7 Ų51.785%0.85330%0.301SS*.  trans-73.6136.8177.6-73.891.3000112.1
1912G64.1Low73.6Confident44 Ų4453.7 Ų53.745%0.45432%0.317SS..SBendtrans157.3162.8172.300000113.2A1914G1912-A1914 PolarHBondContact O-N 3.3Å
1913D68.2Low73.5Confident182 Ų18255.6 Ų55.697%0.97333%0.327SS*.SBendtrans-74.224.1-169.1-43.6-39.2000115.2
1914A70.9Confident73.3Confident25 Ų2555.6 Ų55.621%0.20733%0.327CS..PPolyproline II helixtrans-99.7135.8-17900000110.5R1906 G1912R1906-A1914 HydrophobicContact CB-CB 4.23Å; R1906-A1914 VanDerWaalsContact CB-O 3.23Å; R1906-A1914 WeakPolarHBondContact CB-O 3.4Å; G1912-A1914 PolarHBondContact O-N 3.3Å
1915P77.2Confident73.1Confident21 Ų2150.5 Ų50.514%0.13631%0.312CS..PPolyproline II helixtrans-67.4152.3-179.327.8-35.1000112.3L1886 V1903 V1905 R1906 E1919L1886-P1915 HydrophobicContact CD2-CG 4.46Å; V1903-P1915 HydrophobicContact CG1-CG 3.93Å; V1905-P1915 WeakPolarHBondContact CA-O 3.39Å; R1906-P1915 PolarHBondContact N-O 2.83Å; P1915-E1919 VanDerWaalsContact CA-OE2 3.23Å; P1915-E1919 WeakPolarHBondContact CA-OE2 3.41Å; P1915-E1919 HydrophobicContact CB-CB 4.1Å
1916L76.8Confident73.1Confident37 Ų3754.6 Ų54.619%0.19433%0.333CS..PPolyproline II helixtrans-68.3163.5164.6-71.3167000110.9R1906 S1918 E1919 L1920R1906-L1916 HydrophobicContact CB-CD2 4.43Å; R1906-L1916 HydrophobicContact CG-CD2 4.25Å; L1916-S1918 PolarHBondContact O-N 3Å; L1916-E1919 HydrophobicContact CB-CB 4.27Å; L1916-E1919 HydrophobicContact CB-CG 4.01Å; L1916-E1919 PolarHBondContact N-OE2 3.01Å; L1916-E1919 PolarHBondContact O-N 3.34Å; L1916-L1920 WeakPolarHBondContact O-CB 3.27Å; L1916-L1920 PolarHBondContact O-N 2.98Å
1917L77.2Confident73Confident10 Ų1051.1 Ų51.15%0.05232%0.321CS..Hα-helixtrans-64.6-38178.1-174.561.1000112.5Q1139 L1152 Y1864 V1905 F1921Q1139-L1917 VanDerWaalsContact NE2-N 3.12Å; L1152-L1917 HydrophobicContact CB-CD2 4.46Å; Y1864-L1917 HydrophobicContact CD1-CD1 4.07Å; Y1864-L1917 HydrophobicContact CE1-CD1 3.77Å; Y1864-L1917 HydrophobicContact CE2-CD1 4.3Å; Y1864-L1917 HydrophobicContact CG-CD1 4.47Å; V1905-L1917 HydrophobicContact CG1-CB 4.2Å; L1917-F1921 WeakPolarHBondContact O-CB 3.42Å; L1917-F1921 PolarHBondContact O-N 3.41Å
1918S77.5Confident73.4Confident4 Ų447.4 Ų47.43%0.02830%0.295CS..Hα-helixtrans-60.3-53.6171.646.80000112Q1139 L1916 L1920 F1921 A1922Q1139-S1918 PolarHBondContact OE1-OG 3.19Å; L1916-S1918 PolarHBondContact O-N 3Å; S1918-L1920 PolarHBondContact O-N 3.3Å; S1918-F1921 WeakPolarHBondContact O-CB 3.5Å; S1918-F1921 PolarHBondContact O-N 3.19Å; S1918-F1921 VanDerWaalsContact O-N 3.1Å; S1918-A1922 WeakPolarHBondContact O-CB 3.45Å; S1918-A1922 PolarHBondContact O-N 2.99Å
1919E80.2Confident73.5Confident93 Ų9348.9 Ų48.944%0.43530%0.303SS..Hα-helixtrans-55.8-47175.6-66.9171167.800111.6P1915 L1916 F1921 A1922 I1923P1915-E1919 VanDerWaalsContact CA-OE2 3.23Å; P1915-E1919 WeakPolarHBondContact CA-OE2 3.41Å; P1915-E1919 HydrophobicContact CB-CB 4.1Å; L1916-E1919 HydrophobicContact CB-CB 4.27Å; L1916-E1919 HydrophobicContact CB-CG 4.01Å; L1916-E1919 PolarHBondContact N-OE2 3.01Å; L1916-E1919 PolarHBondContact O-N 3.34Å; E1919-F1921 VanDerWaalsContact C-N 3.34Å; E1919-F1921 PolarHBondContact O-N 3.24Å; E1919-A1922 PolarHBondContact O-N 3.1Å; E1919-I1923 WeakPolarHBondContact O-CB 3.21Å; E1919-I1923 WeakPolarHBondContact O-CD1 3.5Å; E1919-I1923 WeakPolarHBondContact O-CG1 3.24Å; E1919-I1923 PolarHBondContact O-N 3.43Å
1920L80.1Confident73.6Confident0 Ų053.9 Ų53.90%032%0.315CS..Hα-helixtrans-61.8-41.5176.3178.759.9000111.5L1886 V1903 V1905 L1916 S1918 L1924 L1936L1886-L1920 HydrophobicContact CD1-CD1 4.1Å; L1886-L1920 HydrophobicContact CD2-CD1 4.15Å; V1903-L1920 HydrophobicContact CB-CD1 4.26Å; V1903-L1920 HydrophobicContact CB-CD2 4.18Å; V1903-L1920 HydrophobicContact CG1-CD1 4.11Å; V1903-L1920 HydrophobicContact CG1-CD2 4.33Å; V1903-L1920 HydrophobicContact CG2-CD1 4.09Å; V1905-L1920 HydrophobicContact CG2-CD2 3.51Å; L1916-L1920 WeakPolarHBondContact O-CB 3.27Å; L1916-L1920 PolarHBondContact O-N 2.98Å; S1918-L1920 PolarHBondContact O-N 3.3Å; L1920-L1924 HydrophobicContact CD1-CD1 3.79Å; L1920-L1924 HydrophobicContact CD1-CG 3.97Å; L1920-L1924 HydrophobicContact CG-CD1 3.87Å; L1920-L1924 HydrophobicContact CG-CG 4.43Å; L1920-L1924 VanDerWaalsContact O-CB 3.32Å; L1920-L1924 WeakPolarHBondContact O-CB 3.38Å; L1920-L1924 WeakPolarHBondContact O-CG 3.19Å; L1920-L1924 PolarHBondContact O-N 3.36Å; L1920-L1936 HydrophobicContact CD2-CD2 4.06Å; L1920-L1936 HydrophobicContact CG-CD2 4.44Å
1921F78.1Confident73.9Confident4 Ų452.2 Ų52.22%0.01830%0.302CS..Hα-helixtrans-63.4-45.1177-161.2-79.5000111.3H1126 V1132 L1135 L1917 S1918 E1919 L1924 C1925 F1934 L1936H1126-F1921 AromaticContact CE1-CZ 3.61Å; H1126-F1921 AromaticContact NE2-CZ 3.87Å; V1132-F1921 HydrophobicContact CG2-CD1 4.37Å; L1135-F1921 HydrophobicContact CD1-CB 4.21Å; L1135-F1921 HydrophobicContact CD1-CD1 4.43Å; L1135-F1921 HydrophobicContact CD1-CD2 3.78Å; L1135-F1921 HydrophobicContact CD1-CE2 4.25Å; L1135-F1921 HydrophobicContact CD1-CG 3.89Å; L1917-F1921 WeakPolarHBondContact O-CB 3.42Å; L1917-F1921 PolarHBondContact O-N 3.41Å; S1918-F1921 WeakPolarHBondContact O-CB 3.5Å; S1918-F1921 PolarHBondContact O-N 3.19Å; S1918-F1921 VanDerWaalsContact O-N 3.1Å; E1919-F1921 VanDerWaalsContact C-N 3.34Å; E1919-F1921 PolarHBondContact O-N 3.24Å; F1921-L1924 PolarHBondContact O-N 3.3Å; F1921-C1925 PolarHBondContact O-N 2.99Å; F1921-C1925 PolarHBondContact O-SG 2.88Å; F1921-F1934 HydrophobicContact CE1-CZ 4.48Å; F1921-F1934 HydrophobicContact CE2-CE2 4.31Å; F1921-F1934 HydrophobicContact CZ-CE2 4.43Å; F1921-F1934 HydrophobicContact CZ-CZ 4.41Å; F1921-L1936 HydrophobicContact CB-CD1 4.49Å; F1921-L1936 HydrophobicContact CD2-CD1 3.47Å; F1921-L1936 VanDerWaalsContact CD2-CD1 3.47Å; F1921-L1936 HydrophobicContact CE2-CD1 4.05Å; F1921-L1936 HydrophobicContact CG-CD1 4.3Å
1922A78.5Confident74.5Confident43 Ų4345.4 Ų45.436%0.35527%0.269SS..Hα-helixtrans-64.3-45.2177.600000112.5S1918 E1919 L1924 C1925 D1926S1918-A1922 WeakPolarHBondContact O-CB 3.45Å; S1918-A1922 PolarHBondContact O-N 2.99Å; E1919-A1922 PolarHBondContact O-N 3.1Å; A1922-L1924 VanDerWaalsContact C-N 3.31Å; A1922-L1924 PolarHBondContact O-N 2.92Å; A1922-C1925 WeakPolarHBondContact O-CB 3.48Å; A1922-C1925 PolarHBondContact O-N 3.18Å; A1922-D1926 PolarHBondContact O-N 3.36Å
1923I79.2Confident75.1Confident48 Ų4848.9 Ų48.925%0.24627%0.268CS..Hα-helixtrans-61.2-41.2175.2-67162.1000110.5R1885 L1886 E1919 D1926 V1927R1885-I1923 HydrophobicContact CB-CG2 4.42Å; L1886-I1923 HydrophobicContact CD1-CG2 3.96Å; L1886-I1923 HydrophobicContact CD2-CD1 4.07Å; L1886-I1923 HydrophobicContact CD2-CG2 4.07Å; L1886-I1923 HydrophobicContact CG-CG2 3.85Å; E1919-I1923 WeakPolarHBondContact O-CB 3.21Å; E1919-I1923 WeakPolarHBondContact O-CD1 3.5Å; E1919-I1923 WeakPolarHBondContact O-CG1 3.24Å; E1919-I1923 PolarHBondContact O-N 3.43Å; I1923-D1926 PolarHBondContact O-N 3.18Å; I1923-V1927 HydrophobicContact CG2-CG2 4.16Å; I1923-V1927 VanDerWaalsContact O-CB 3.29Å; I1923-V1927 WeakPolarHBondContact O-CB 3.41Å; I1923-V1927 WeakPolarHBondContact O-CG2 3.48Å; I1923-V1927 PolarHBondContact O-N 3.34Å
1924L77.9Confident75.6Confident0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-71.3-34178.9-70.9173.1000113V1866 L1886 F1901 L1920 F1921 A1922 C1928 F1934 L1936V1866-L1924 HydrophobicContact CB-CD1 4.41Å; V1866-L1924 HydrophobicContact CG1-CD1 3.69Å; V1866-L1924 HydrophobicContact CG1-CD2 3.79Å; V1866-L1924 HydrophobicContact CG1-CG 4.4Å; V1866-L1924 HydrophobicContact CG2-CD1 3.77Å; V1866-L1924 HydrophobicContact CG2-CD2 4.5Å; L1886-L1924 HydrophobicContact CD1-CD2 4.27Å; F1901-L1924 HydrophobicContact CE2-CD2 4.36Å; F1901-L1924 HydrophobicContact CZ-CD2 3.8Å; L1920-L1924 HydrophobicContact CD1-CD1 3.79Å; L1920-L1924 HydrophobicContact CD1-CG 3.97Å; L1920-L1924 HydrophobicContact CG-CD1 3.87Å; L1920-L1924 HydrophobicContact CG-CG 4.43Å; L1920-L1924 VanDerWaalsContact O-CB 3.32Å; L1920-L1924 WeakPolarHBondContact O-CB 3.38Å; L1920-L1924 WeakPolarHBondContact O-CG 3.19Å; L1920-L1924 PolarHBondContact O-N 3.36Å; F1921-L1924 PolarHBondContact O-N 3.3Å; A1922-L1924 VanDerWaalsContact C-N 3.31Å; A1922-L1924 PolarHBondContact O-N 2.92Å; L1924-C1928 WeakPolarHBondContact O-CB 3.49Å; L1924-C1928 PolarHBondContact O-N 3.04Å; L1924-C1928 PolarHBondContact O-SG 2.77Å; L1924-F1934 HydrophobicContact CB-CD1 4.48Å; L1924-F1934 HydrophobicContact CB-CD2 4.28Å; L1924-F1934 HydrophobicContact CB-CE1 4.46Å; L1924-F1934 HydrophobicContact CB-CE2 4.26Å; L1924-F1934 HydrophobicContact CB-CG 4.39Å; L1924-F1934 HydrophobicContact CB-CZ 4.35Å; L1924-L1936 HydrophobicContact CD1-CD1 4.03Å; L1924-L1936 HydrophobicContact CD1-CD2 3.74Å; L1924-L1936 HydrophobicContact CD1-CG 3.95Å
1925C75.2Confident75.9Confident28 Ų2839.9 Ų39.919%0.18922%0.217CC..Hα-helixtrans-56.7-61167.7-68.70000109.8F1921 A1922 V1927 C1928 V1929F1921-C1925 PolarHBondContact O-N 2.99Å; F1921-C1925 PolarHBondContact O-SG 2.88Å; A1922-C1925 WeakPolarHBondContact O-CB 3.48Å; A1922-C1925 PolarHBondContact O-N 3.18Å; C1925-V1927 VanDerWaalsContact C-N 3.29Å; C1925-V1927 PolarHBondContact O-N 3.15Å; C1925-C1928 PolarHBondContact O-N 3.08Å; C1925-C1928 VanDerWaalsContact O-N 3.11Å; C1925-V1929 VanDerWaalsContact O-CG2 3.25Å; C1925-V1929 WeakPolarHBondContact O-CG2 3.38Å; C1925-V1929 PolarHBondContact O-N 2.99Å
1926D77.5Confident76Confident103 Ų10338.9 Ų38.955%0.55121%0.21SC*.Hα-helixtrans-65.3-27.9-174.1-16654.7000113.7R1885 A1922 I1923R1885-D1926 IonicContact CZ-OD2 2.7Å; R1885-D1926 IonicContact NH1-OD2 3.53Å; R1885-D1926 PolarHBondContact NH1-OD2 3.38Å; R1885-D1926 IonicContact NH2-OD2 3.8Å; R1885-D1926 PolarHBondContact NH2-OD2 3.43Å; A1922-D1926 PolarHBondContact O-N 3.36Å; I1923-D1926 PolarHBondContact O-N 3.18Å
1927V75.9Confident75.8Confident11 Ų1138.7 Ų38.77%0.06721%0.212CC..Hα-helixtrans-80.2-28.9174.4172.10000113.2L1878 L1882 R1885 I1923 C1925L1878-V1927 HydrophobicContact CD1-CG1 3.69Å; L1882-V1927 HydrophobicContact CD2-CG1 4Å; L1882-V1927 HydrophobicContact CG-CG1 4.3Å; R1885-V1927 HydrophobicContact CB-CG2 4.45Å; R1885-V1927 VanDerWaalsContact CD-CG2 3.45Å; I1923-V1927 HydrophobicContact CG2-CG2 4.16Å; I1923-V1927 VanDerWaalsContact O-CB 3.29Å; I1923-V1927 WeakPolarHBondContact O-CB 3.41Å; I1923-V1927 WeakPolarHBondContact O-CG2 3.48Å; I1923-V1927 PolarHBondContact O-N 3.34Å; C1925-V1927 VanDerWaalsContact C-N 3.29Å; C1925-V1927 PolarHBondContact O-N 3.15Å
1928C74.3Confident75.8Confident2 Ų242.1 Ų42.11%0.01423%0.225CC..Hα-helixtrans-99.5-16.5-175-60.30000114.4L1924 C1925 N1930 V1931 A1932 F1934L1924-C1928 WeakPolarHBondContact O-CB 3.49Å; L1924-C1928 PolarHBondContact O-N 3.04Å; L1924-C1928 PolarHBondContact O-SG 2.77Å; C1925-C1928 PolarHBondContact O-N 3.08Å; C1925-C1928 VanDerWaalsContact O-N 3.11Å; C1928-N1930 PolarHBondContact O-N 2.83Å; C1928-V1931 PolarHBondContact O-N 3.34Å; C1928-A1932 HydrophobicContact CB-CB 4.29Å; C1928-A1932 PolarHBondContact O-N 3.5Å; C1928-A1932 VanDerWaalsContact O-O 3.13Å; C1928-F1934 HydrophobicContact CB-CD1 3.73Å; C1928-F1934 HydrophobicContact CB-CE1 4.38Å
1929V66.7Low75.6Confident73 Ų7342.3 Ų42.344%0.44223%0.226SC..THydrogen-bonded Turntrans-45.8125.2175.4159.40000110.4C1925 V1931C1925-V1929 VanDerWaalsContact O-CG2 3.25Å; C1925-V1929 WeakPolarHBondContact O-CG2 3.38Å; C1925-V1929 PolarHBondContact O-N 2.99Å; V1929-V1931 PolarHBondContact O-N 2.88Å
1930N66.3Low75.1Confident165 Ų16542.4 Ų42.488%0.88222%0.222SC*.THydrogen-bonded Turntrans62.2-6.6-175.9-53.5-34.8000117.3C1928C1928-N1930 PolarHBondContact O-N 2.83Å
1931V70.9Confident74.9Confident40 Ų4042.4 Ų42.424%0.24222%0.222CC..THydrogen-bonded Turntrans-107.2-38.7-175.3-178.50000113.3Q1874 L1878 C1928 V1929Q1874-V1931 HydrophobicContact CB-CG1 4.18Å; Q1874-V1931 PolarHBondContact NE2-O 3.02Å; L1878-V1931 HydrophobicContact CD1-CG1 4.38Å; C1928-V1931 PolarHBondContact O-N 3.34Å; V1929-V1931 PolarHBondContact O-N 2.88Å
1932A72.2Confident74.6Confident20 Ų2044.4 Ų44.417%0.16523%0.231CC..  trans-152.8155.3-173.300000112.3C1868 C1870 L1878 C1928C1868-A1932 HydrophobicContact CB-CB 4.05Å; C1870-A1932 HydrophobicContact CB-CB 3.78Å; L1878-A1932 HydrophobicContact CD2-CB 4.36Å; C1928-A1932 HydrophobicContact CB-CB 4.29Å; C1928-A1932 PolarHBondContact O-N 3.5Å; C1928-A1932 VanDerWaalsContact O-O 3.13Å
1933R75.7Confident74.5Confident117 Ų11742.9 Ų42.944%0.44222%0.218SC..EExtended strand (participates in β ladder)trans-90.5130.2156.4-61.1-168.7-175.390.45.4108.1T1074 C1868 F1869T1074-R1933 HydrophobicContact CG2-CB 4.11Å; T1074-R1933 VanDerWaalsContact OG1-CD 3.22Å; T1074-R1933 WeakPolarHBondContact OG1-CD 3.07Å; C1868-R1933 CarbonylContact C-O 3.25Å; C1868-R1933 WeakPolarHBondContact CA-O 3.47Å; F1869-R1933 WeakPolarHBondContact CD2-O 3.24Å; F1869-R1933 PolarHBondContact N-O 3.18Å; F1869-R1933 PolarHBondContact O-N 3.18Å
1934F79.1Confident74.4Confident13 Ų1340.8 Ų40.86%0.05721%0.207CC..EExtended strand (participates in β ladder)trans-101.3152.8172.764.3-86.6000111.2Y1123 H1126 T1867 F1921 L1924 C1928 L1936Y1123-F1934 WeakPolarHBondContact CE1-O 3.36Å; H1126-F1934 AromaticContact NE2-CZ 3.96Å; T1867-F1934 CarbonylContact O-C 3.52Å; T1867-F1934 WeakPolarHBondContact O-CA 3.42Å; F1921-F1934 HydrophobicContact CE1-CZ 4.48Å; F1921-F1934 HydrophobicContact CE2-CE2 4.31Å; F1921-F1934 HydrophobicContact CZ-CE2 4.43Å; F1921-F1934 HydrophobicContact CZ-CZ 4.41Å; L1924-F1934 HydrophobicContact CB-CD1 4.48Å; L1924-F1934 HydrophobicContact CB-CD2 4.28Å; L1924-F1934 HydrophobicContact CB-CE1 4.46Å; L1924-F1934 HydrophobicContact CB-CE2 4.26Å; L1924-F1934 HydrophobicContact CB-CG 4.39Å; L1924-F1934 HydrophobicContact CB-CZ 4.35Å; C1928-F1934 HydrophobicContact CB-CD1 3.73Å; C1928-F1934 HydrophobicContact CB-CE1 4.38Å; F1934-L1936 HydrophobicContact CD2-CD1 4.35Å; F1934-L1936 HydrophobicContact CD2-CG 4.33Å; F1934-L1936 HydrophobicContact CE2-CD1 4.07Å
1935S77.6Confident74.3Confident5 Ų541.8 Ų41.84%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-124.4128.8161.463.20000109.1T1867T1867-S1935 PolarHBondContact N-O 3.48Å; T1867-S1935 PolarHBondContact O-N 2.69Å
1936L78.7Confident74.3Confident0 Ų042.9 Ų42.90%021%0.214CC..EExtended strand (participates in β ladder)trans-93.1137.2172.7-86.6160.3000110.1Y1123 L1152 V1866 L1920 F1921 L1924 F1934Y1123-L1936 PolarHBondContact OH-N 3.03Å; L1152-L1936 HydrophobicContact CD2-CB 4.02Å; V1866-L1936 HydrophobicContact CG2-CD2 3.98Å; L1920-L1936 HydrophobicContact CD2-CD2 4.06Å; L1920-L1936 HydrophobicContact CG-CD2 4.44Å; F1921-L1936 HydrophobicContact CB-CD1 4.49Å; F1921-L1936 HydrophobicContact CD2-CD1 3.47Å; F1921-L1936 VanDerWaalsContact CD2-CD1 3.47Å; F1921-L1936 HydrophobicContact CE2-CD1 4.05Å; F1921-L1936 HydrophobicContact CG-CD1 4.3Å; L1924-L1936 HydrophobicContact CD1-CD1 4.03Å; L1924-L1936 HydrophobicContact CD1-CD2 3.74Å; L1924-L1936 HydrophobicContact CD1-CG 3.95Å; F1934-L1936 HydrophobicContact CD2-CD1 4.35Å; F1934-L1936 HydrophobicContact CD2-CG 4.33Å; F1934-L1936 HydrophobicContact CE2-CD1 4.07Å
1937S73.9Confident74.2Confident34 Ų3440.4 Ų40.424%0.23820%0.197CC..EExtended strand (participates in β ladder)trans-146.7137.3173.956.90000110.5Y1864 A1865Y1864-S1937 CarbonylContact C-O 3.58Å; Y1864-S1937 WeakPolarHBondContact CA-O 3.18Å; A1865-S1937 PolarHBondContact N-O 3.43Å; A1865-S1937 PolarHBondContact O-N 3.23Å; A1865-S1937 PolarHBondContact O-OG 3.01Å
1938R75.8Confident74.3Confident82 Ų8239.9 Ų39.931%0.30919%0.194SC..EExtended strand (participates in β ladder)trans-60.3141.1166.7-164.1176.5-167.8172.215.2108.5D1149 E1151 Y1864 R1940D1149-R1938 IonicContact OD1-CZ 2.69Å; D1149-R1938 IonicContact OD1-NH1 3.56Å; D1149-R1938 PolarHBondContact OD1-NH1 3.27Å; D1149-R1938 IonicContact OD1-NH2 3.15Å; D1149-R1938 PolarHBondContact OD1-NH2 3.28Å; D1149-R1938 IonicContact OD2-CZ 2.68Å; D1149-R1938 IonicContact OD2-NH1 3.31Å; D1149-R1938 PolarHBondContact OD2-NH1 3.41Å; D1149-R1938 IonicContact OD2-NH2 3.41Å; D1149-R1938 PolarHBondContact OD2-NH2 3.08Å; E1151-R1938 IonicContact OE1-NH1 3.69Å; Y1864-R1938 HydrophobicContact CD1-CB 4.49Å; Y1864-R1938 HydrophobicContact CE1-CB 4.13Å; R1938-R1940 PolarHBondContact O-N 3.42Å; R1938-R1940 VanDerWaalsContact O-N 3.14Å
1939C72.8Confident74.4Confident8 Ų840 Ų405%0.05419%0.194CC..PPolyproline II helixtrans-57.9119.6-178.2-87.50000112.7Y1863 T1943Y1863-C1939 VanDerWaalsContact O-CB 3.31Å; Y1863-C1939 WeakPolarHBondContact O-CB 3.35Å; Y1863-C1939 PolarHBondContact O-N 2.82Å; Y1863-C1939 PolarHBondContact O-SG 3.08Å; Y1863-C1939 VanDerWaalsContact O-SG 3.36Å; C1939-T1943 VanDerWaalsContact CB-OG1 3.27Å; C1939-T1943 WeakPolarHBondContact CB-OG1 3.41Å; C1939-T1943 PolarHBondContact SG-OG1 3.3Å
1940R70.6Confident74.6Confident94 Ų9439.4 Ų39.436%0.35519%0.189SC..PPolyproline II helixtrans-52.9146165.1-75.8-179.1168.6179.1-7.2109.6D1043 E1159 R1938 E1942 T1943D1043-R1940 IonicContact OD1-CZ 3.86Å; D1043-R1940 IonicContact OD1-NH1 3.22Å; D1043-R1940 PolarHBondContact OD1-NH1 3.07Å; D1043-R1940 IonicContact OD1-NH2 3.9Å; E1159-R1940 IonicContact OE1-NH2 3.96Å; E1159-R1940 PolarHBondContact OE1-NH2 3.18Å; E1159-R1940 VanDerWaalsContact OE1-NH2 3.13Å; E1159-R1940 IonicContact OE2-NH2 2.7Å; R1938-R1940 PolarHBondContact O-N 3.42Å; R1938-R1940 VanDerWaalsContact O-N 3.14Å; R1940-E1942 HydrophobicContact CB-CB 4.42Å; R1940-E1942 PolarHBondContact O-N 2.91Å; R1940-T1943 PolarHBondContact O-N 3.37Å; R1940-T1943 PolarHBondContact O-OG1 2.92Å
1941F76.3Confident74.6Confident0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-56.4-25.9-179.9-177.2-135.5000112.7L1683 V1829 I1832 E1833 V1839 P1853 L1856 K1857 T1943 V1944 F1945L1683-F1941 HydrophobicContact CD2-CE1 3.97Å; L1683-F1941 HydrophobicContact CD2-CZ 4.31Å; V1829-F1941 HydrophobicContact CG1-CB 4.08Å; V1829-F1941 HydrophobicContact CG1-CD1 3.44Å; V1829-F1941 VanDerWaalsContact CG1-CD1 3.44Å; V1829-F1941 HydrophobicContact CG1-CE1 4.14Å; V1829-F1941 HydrophobicContact CG1-CG 3.98Å; I1832-F1941 HydrophobicContact CG2-CE1 4.22Å; E1833-F1941 HydrophobicContact CB-CB 4.22Å; E1833-F1941 HydrophobicContact CB-CD1 4.33Å; E1833-F1941 HydrophobicContact CG-CB 3.97Å; E1833-F1941 WeakPolarHBondContact OE2-CB 3.32Å; E1833-F1941 PolarHBondContact OE2-N 3.41Å; V1839-F1941 HydrophobicContact CB-CE1 4.39Å; V1839-F1941 HydrophobicContact CB-CZ 4.3Å; V1839-F1941 HydrophobicContact CG1-CE1 4.07Å; V1839-F1941 HydrophobicContact CG1-CZ 4.11Å; V1839-F1941 HydrophobicContact CG2-CE1 4.24Å; P1853-F1941 HydrophobicContact CB-CD1 4.5Å; P1853-F1941 HydrophobicContact CB-CE1 4.5Å; L1856-F1941 HydrophobicContact CB-CE2 3.79Å; L1856-F1941 HydrophobicContact CD1-CE2 3.86Å; L1856-F1941 HydrophobicContact CD1-CZ 3.74Å; L1856-F1941 HydrophobicContact CG-CE2 4.5Å; K1857-F1941 HydrophobicContact CG-CD2 4.42Å; F1941-T1943 VanDerWaalsContact C-N 3.34Å; F1941-T1943 PolarHBondContact O-N 3Å; F1941-V1944 HydrophobicContact CD2-CB 4.13Å; F1941-V1944 HydrophobicContact CD2-CG1 4.43Å; F1941-V1944 WeakPolarHBondContact O-CB 3.16Å; F1941-V1944 PolarHBondContact O-N 3.38Å; F1941-V1944 VanDerWaalsContact O-N 3.09Å; F1941-F1945 WeakPolarHBondContact O-CB 3.42Å; F1941-F1945 PolarHBondContact O-N 3.04Å
1942E72Confident73.9Confident46 Ų4633.8 Ų33.822%0.21516%0.164CC..Hα-helixtrans-47-50.2168.6-174.5-176.2-155.900113.4V1829 R1940 V1944 F1945 E1946V1829-E1942 HydrophobicContact CB-CB 4.09Å; V1829-E1942 HydrophobicContact CG1-CB 4.4Å; V1829-E1942 HydrophobicContact CG2-CB 4.17Å; V1829-E1942 HydrophobicContact CG2-CG 4.23Å; R1940-E1942 HydrophobicContact CB-CB 4.42Å; R1940-E1942 PolarHBondContact O-N 2.91Å; E1942-V1944 VanDerWaalsContact C-N 3.3Å; E1942-V1944 PolarHBondContact O-N 3.1Å; E1942-F1945 WeakPolarHBondContact O-CB 3.27Å; E1942-F1945 PolarHBondContact O-N 3.3Å; E1942-E1946 PolarHBondContact O-N 2.7Å
1943T75Confident73.1Confident11 Ų1137 Ų377%0.06718%0.176CC..Hα-helixtrans-73.9-22-178.656.90000113.4C1939 R1940 F1941 R1947C1939-T1943 VanDerWaalsContact CB-OG1 3.27Å; C1939-T1943 WeakPolarHBondContact CB-OG1 3.41Å; C1939-T1943 PolarHBondContact SG-OG1 3.3Å; R1940-T1943 PolarHBondContact O-N 3.37Å; R1940-T1943 PolarHBondContact O-OG1 2.92Å; F1941-T1943 VanDerWaalsContact C-N 3.34Å; F1941-T1943 PolarHBondContact O-N 3Å; T1943-R1947 WeakPolarHBondContact O-CG 3.5Å; T1943-R1947 PolarHBondContact O-N 3.42Å
1944V77Confident71.9Confident4 Ų435.4 Ų35.42%0.02418%0.182CC..Hα-helixtrans-75.7-42.7171.9-176.90000109.5L1856 K1857 H1860 F1941 E1942 R1947 I1948L1856-V1944 WeakPolarHBondContact O-CG1 3.48Å; K1857-V1944 HydrophobicContact CG-CG2 4.36Å; H1860-V1944 HydrophobicContact CB-CG1 3.56Å; F1941-V1944 HydrophobicContact CD2-CB 4.13Å; F1941-V1944 HydrophobicContact CD2-CG1 4.43Å; F1941-V1944 WeakPolarHBondContact O-CB 3.16Å; F1941-V1944 PolarHBondContact O-N 3.38Å; F1941-V1944 VanDerWaalsContact O-N 3.09Å; E1942-V1944 VanDerWaalsContact C-N 3.3Å; E1942-V1944 PolarHBondContact O-N 3.1Å; V1944-R1947 PolarHBondContact O-N 3.29Å; V1944-I1948 HydrophobicContact CG1-CD1 4.13Å; V1944-I1948 WeakPolarHBondContact O-CG1 3.38Å; V1944-I1948 PolarHBondContact O-N 3.42Å
1945F77.8Confident70.2Confident22 Ų2240.8 Ų40.810%0.09621%0.212CC..Hα-helixtrans-62.6-46175.2165.2-118.6000113L1683 V1829 V1841 F1941 E1942 R1947 I1948 L1949L1683-F1945 HydrophobicContact CB-CE2 4.4Å; L1683-F1945 HydrophobicContact CD2-CB 3.98Å; L1683-F1945 HydrophobicContact CD2-CD1 4.11Å; L1683-F1945 HydrophobicContact CD2-CD2 3.33Å; L1683-F1945 HydrophobicContact CD2-CE1 4.4Å; L1683-F1945 HydrophobicContact CD2-CE2 3.68Å; L1683-F1945 HydrophobicContact CD2-CG 3.55Å; L1683-F1945 HydrophobicContact CD2-CZ 4.19Å; L1683-F1945 HydrophobicContact CG-CD1 4.49Å; L1683-F1945 HydrophobicContact CG-CD2 3.86Å; L1683-F1945 HydrophobicContact CG-CE1 4.3Å; L1683-F1945 HydrophobicContact CG-CE2 3.62Å; L1683-F1945 HydrophobicContact CG-CG 4.27Å; L1683-F1945 HydrophobicContact CG-CZ 3.84Å; V1829-F1945 HydrophobicContact CG2-CD1 4.05Å; V1829-F1945 HydrophobicContact CG2-CE1 4.43Å; V1841-F1945 HydrophobicContact CG1-CD2 4.03Å; V1841-F1945 HydrophobicContact CG1-CE2 4.01Å; V1841-F1945 HydrophobicContact CG2-CD2 4.28Å; F1941-F1945 WeakPolarHBondContact O-CB 3.42Å; F1941-F1945 PolarHBondContact O-N 3.04Å; E1942-F1945 WeakPolarHBondContact O-CB 3.27Å; E1942-F1945 PolarHBondContact O-N 3.3Å; F1945-R1947 PolarHBondContact O-N 3.29Å; F1945-I1948 PolarHBondContact O-N 2.87Å; F1945-L1949 HydrophobicContact CD1-CD1 4.05Å; F1945-L1949 HydrophobicContact CD2-CD1 3.66Å; F1945-L1949 HydrophobicContact CD2-CG 4.08Å; F1945-L1949 HydrophobicContact CE1-CD1 3.7Å; F1945-L1949 HydrophobicContact CE2-CD1 3.29Å; F1945-L1949 HydrophobicContact CE2-CD2 4.14Å; F1945-L1949 HydrophobicContact CE2-CG 3.84Å; F1945-L1949 HydrophobicContact CG-CD1 4.05Å; F1945-L1949 HydrophobicContact CZ-CD1 3.32Å; F1945-L1949 HydrophobicContact CZ-CG 4.34Å; F1945-L1949 WeakPolarHBondContact O-CD1 3.22Å; F1945-L1949 VanDerWaalsContact O-CG 3.32Å; F1945-L1949 WeakPolarHBondContact O-CG 3.4Å; F1945-L1949 PolarHBondContact O-N 3.1Å; F1945-L1949 VanDerWaalsContact O-N 3.11Å
1946E74.8Confident68.6Low51 Ų5143.9 Ų43.924%0.23824%0.244CC..Hα-helixtrans-54.6-42.8173-70.1-166.912700110.4K1020 E1942 L1949 D1950K1020-E1946 IonicContact NZ-OE1 2.77Å; K1020-E1946 PolarHBondContact NZ-OE1 3.28Å; K1020-E1946 IonicContact NZ-OE2 3.35Å; K1020-E1946 PolarHBondContact NZ-OE2 3.47Å; E1942-E1946 PolarHBondContact O-N 2.7Å; E1946-L1949 WeakPolarHBondContact O-CB 3.35Å; E1946-L1949 PolarHBondContact O-N 3.33Å; E1946-D1950 WeakPolarHBondContact O-CB 3.47Å; E1946-D1950 PolarHBondContact O-N 2.71Å; E1946-D1950 VanDerWaalsContact O-N 3.08Å
1947R75.1Confident66.7Low50 Ų5048.5 Ų48.519%0.18928%0.276CS..Hα-helixtrans-71.1-32.9178.1-73.8172.7168.4-172.4-4.7115.3Y1863 D1891 T1943 V1944 F1945 L1949 D1950 S1951Y1863-R1947 VanDerWaalsContact CD1-NH1 3.27Å; Y1863-R1947 VanDerWaalsContact CE1-NH1 3.31Å; D1891-R1947 IonicContact OD2-CZ 3.81Å; D1891-R1947 IonicContact OD2-NE 3.13Å; D1891-R1947 PolarHBondContact OD2-NE 3.1Å; D1891-R1947 IonicContact OD2-NH2 3.92Å; D1891-R1947 PolarHBondContact OD2-NH2 2.96Å; T1943-R1947 WeakPolarHBondContact O-CG 3.5Å; T1943-R1947 PolarHBondContact O-N 3.42Å; V1944-R1947 PolarHBondContact O-N 3.29Å; F1945-R1947 PolarHBondContact O-N 3.29Å; R1947-L1949 VanDerWaalsContact C-N 3.27Å; R1947-L1949 PolarHBondContact O-N 3.16Å; R1947-D1950 PolarHBondContact O-N 3.13Å; R1947-S1951 WeakPolarHBondContact O-CB 3.24Å; R1947-S1951 PolarHBondContact O-N 3.04Å; R1947-S1951 PolarHBondContact O-OG 2.89Å; R1947-S1951 VanDerWaalsContact O-OG 3.06Å
1948I77.8Confident64.7Low1 Ų153.6 Ų53.61%0.00530%0.301CS..Hα-helixtrans-65-35.5172.4-67.6162000110.7V1841 I1848 A1849 L1856 H1860 V1944 F1945 S1951 S1952V1841-I1948 HydrophobicContact CB-CG2 4.22Å; V1841-I1948 HydrophobicContact CG1-CG2 3.8Å; V1841-I1948 HydrophobicContact CG2-CD1 4.37Å; V1841-I1948 HydrophobicContact CG2-CG2 4.39Å; I1848-I1948 HydrophobicContact CG2-CG2 4.11Å; A1849-I1948 HydrophobicContact CB-CG2 4.21Å; L1856-I1948 HydrophobicContact CD2-CD1 4.45Å; H1860-I1948 HydrophobicContact CB-CD1 4.31Å; H1860-I1948 HydrophobicContact CB-CG1 4.06Å; V1944-I1948 HydrophobicContact CG1-CD1 4.13Å; V1944-I1948 WeakPolarHBondContact O-CG1 3.38Å; V1944-I1948 PolarHBondContact O-N 3.42Å; F1945-I1948 PolarHBondContact O-N 2.87Å; I1948-S1951 PolarHBondContact O-OG 3.04Å; I1948-S1952 PolarHBondContact O-OG 2.91Å; I1948-S1952 VanDerWaalsContact O-OG 3.09Å
1949L75.6Confident62.6Low3 Ų353.2 Ų53.22%0.01632%0.323CS..Hα-helixtrans-73.4-30.6178.2-68.6161.7000113.1K1685 V1841 R1843 F1945 E1946 R1947 S1952K1685-L1949 HydrophobicContact CD-CB 4.38Å; K1685-L1949 HydrophobicContact CD-CD1 4.16Å; K1685-L1949 HydrophobicContact CD-CD2 4.18Å; K1685-L1949 HydrophobicContact CD-CG 4.48Å; K1685-L1949 HydrophobicContact CG-CD1 3.7Å; K1685-L1949 HydrophobicContact CG-CD2 4.04Å; K1685-L1949 HydrophobicContact CG-CG 4.38Å; V1841-L1949 HydrophobicContact CG1-CD2 4.19Å; V1841-L1949 HydrophobicContact CG1-CG 4.5Å; R1843-L1949 HydrophobicContact CB-CD2 4.19Å; R1843-L1949 HydrophobicContact CG-CD2 4.28Å; R1843-L1949 PolarHBondContact NE-O 3.31Å; F1945-L1949 HydrophobicContact CD1-CD1 4.05Å; F1945-L1949 HydrophobicContact CD2-CD1 3.66Å; F1945-L1949 HydrophobicContact CD2-CG 4.08Å; F1945-L1949 HydrophobicContact CE1-CD1 3.7Å; F1945-L1949 HydrophobicContact CE2-CD1 3.29Å; F1945-L1949 HydrophobicContact CE2-CD2 4.14Å; F1945-L1949 HydrophobicContact CE2-CG 3.84Å; F1945-L1949 HydrophobicContact CG-CD1 4.05Å; F1945-L1949 HydrophobicContact CZ-CD1 3.32Å; F1945-L1949 HydrophobicContact CZ-CG 4.34Å; F1945-L1949 WeakPolarHBondContact O-CD1 3.22Å; F1945-L1949 VanDerWaalsContact O-CG 3.32Å; F1945-L1949 WeakPolarHBondContact O-CG 3.4Å; F1945-L1949 PolarHBondContact O-N 3.1Å; F1945-L1949 VanDerWaalsContact O-N 3.11Å; E1946-L1949 WeakPolarHBondContact O-CB 3.35Å; E1946-L1949 PolarHBondContact O-N 3.33Å; R1947-L1949 VanDerWaalsContact C-N 3.27Å; R1947-L1949 PolarHBondContact O-N 3.16Å; L1949-S1952 PolarHBondContact O-OG 2.81Å; L1949-S1952 VanDerWaalsContact O-OG 3.13Å
1950D71Confident60.6Low62 Ų6259 Ų5933%0.33236%0.357SS..Hα-helixtrans-100.4-26.7-172.8-60.9-8.8000112.2K1685 E1946 R1947 S1952 E1953K1685-D1950 IonicContact NZ-OD1 2.84Å; K1685-D1950 PolarHBondContact NZ-OD1 2.86Å; E1946-D1950 WeakPolarHBondContact O-CB 3.47Å; E1946-D1950 PolarHBondContact O-N 2.71Å; E1946-D1950 VanDerWaalsContact O-N 3.08Å; R1947-D1950 PolarHBondContact O-N 3.13Å; D1950-S1952 PolarHBondContact O-N 3.04Å; D1950-E1953 WeakPolarHBondContact O-CB 3.47Å; D1950-E1953 PolarHBondContact O-N 2.8Å
1951S66.7Low58.8Low58 Ų5862.9 Ų62.941%0.40638%0.379SS..Hα-helixtrans-63.6-23.7169670000113R1947 I1948 E1953 S1954R1947-S1951 WeakPolarHBondContact O-CB 3.24Å; R1947-S1951 PolarHBondContact O-N 3.04Å; R1947-S1951 PolarHBondContact O-OG 2.89Å; R1947-S1951 VanDerWaalsContact O-OG 3.06Å; I1948-S1951 PolarHBondContact O-OG 3.04Å; S1951-E1953 VanDerWaalsContact C-N 3.31Å; S1951-S1954 PolarHBondContact O-OG 2.9Å; S1951-S1954 VanDerWaalsContact O-OG 3.08Å
1952S57.3Low56.6Low28 Ų2872.7 Ų72.720%0.19642%0.422CS..Hα-helixtrans-87.45.6172.755.10000113.2R1843 I1848 I1948 L1949 D1950R1843-S1952 PolarHBondContact NH1-O 3.44Å; R1843-S1952 PolarHBondContact NH1-OG 2.93Å; I1848-S1952 WeakPolarHBondContact CD1-OG 3.45Å; I1948-S1952 PolarHBondContact O-OG 2.91Å; I1948-S1952 VanDerWaalsContact O-OG 3.09Å; L1949-S1952 PolarHBondContact O-OG 2.81Å; L1949-S1952 VanDerWaalsContact O-OG 3.13Å; D1950-S1952 PolarHBondContact O-N 3.04Å
1953E53.6Low54.5Low89 Ų8977.6 Ų77.642%0.41645%0.449SS..Hα-helixtrans-89.7-32.5169.3-74.4175.9-169.300111.8K1685 R1843 D1950 S1951K1685-E1953 IonicContact NZ-OE1 3.99Å; K1685-E1953 PolarHBondContact NZ-OE1 2.74Å; R1843-E1953 IonicContact CZ-OE1 3.56Å; R1843-E1953 IonicContact NE-OE1 2.75Å; R1843-E1953 IonicContact NH2-OE1 2.69Å; R1843-E1953 PolarHBondContact NH2-OE1 3.42Å; D1950-E1953 WeakPolarHBondContact O-CB 3.47Å; D1950-E1953 PolarHBondContact O-N 2.8Å; S1951-E1953 VanDerWaalsContact C-N 3.31Å
1954S50.3Low52.4Low83 Ų8385.3 Ų85.358%0.5849%0.485SS*.Hα-helixtrans-72.9-26.7176.955.10000114.8S1951S1951-S1954 PolarHBondContact O-OG 2.9Å; S1951-S1954 VanDerWaalsContact O-OG 3.08Å
1955N45.4Very low50.2Low126 Ų12693.6 Ų93.667%0.67452%0.523SS*.THydrogen-bonded Turntrans-94.5-1.2-170.1-62.77.6000113.4
1956G42.9Very low47.9Very low70 Ų70100.6 Ų100.672%0.72256%0.556SS**THydrogen-bonded Turntrans-81-10.4-169.900000116.6
1957S38.7Very low45.7Very low96 Ų96106.4 Ų106.467%0.67158%0.583SS**THydrogen-bonded Turntrans-94.5-17.5-174.6600000115.1
1958N31.6Very low43.7Very low142 Ų142111 Ų11176%0.75962%0.617SS**SBendtrans-120.781.9-164.8-61.50.9000110.3
1959G31.2Very low41.4Very low74 Ų74114.9 Ų114.976%0.76365%0.649SS**  trans-160.22.3-171.200000119.7
1960V32.3Very low39.1Very low129 Ų129123.9 Ų123.978%0.78269%0.688SS**SBendtrans-143.7126.6174.1-178.60000110.1
1961H31.5Very low37Very low176 Ų176127.9 Ų127.982%0.81571%0.709SS**  trans45.1107.7173.5-67.7-60.4000118.4
1962K30.2Very low35.1Very low205 Ų205132.6 Ų132.689%0.89173%0.73SS**  -178.4124.6109.4-99168.3-176.7-177.10112.4
1963D29Very low33.6Very low149 Ų149139.1 Ų139.180%0.79776%0.762SS**  trans-79158.6156-64.1-76.5000110.6
1964Q30.5Very low32.4Very low174 Ų174140.7 Ų140.781%0.81378%0.78SS**  trans72.9144.9167.6-51.3-179.67.400118
1965Q31.5Very low31.2Very low178 Ų178141 Ų14183%0.83278%0.782SS**  trans57.996.2169.7-58.8172.36.900114.9
1966Q29.4Very low30.3Very low169 Ų169143.8 Ų143.879%0.7979%0.788SS**  cis71.8118.127.6-137.9-174.922.700115.4
1967Q28.8Very low29.5Very low172 Ų172144.6 Ų144.680%0.80478%0.783SS**  trans63.896.3162.9-70.817010.700120.8
1968V32.3Very low29.1Very low146 Ų146145.6 Ų145.689%0.88579%0.787SS**  trans-140.1155.3133.41740000109.1
1969A29.5Very low28.9Very low83 Ų83143.8 Ų143.869%0.68679%0.792SS**  trans-28.6132.8172.500000116.1
1970K27Very low28.8Very low192 Ų192147.4 Ų147.484%0.83580%0.799SS**  68.9139.272.6-90.8-172.8177.4-178.80114.2
1971N26.2Very low28.6Very low146 Ų146144.4 Ų144.478%0.78179%0.794SS**  trans72.887175.2-53.7-2.5000115.5
1972D28.1Very low28.6Very low158 Ų158139.9 Ų139.985%0.84580%0.795SS**  -164.9120.6117.3-101.4-17.7000111.9
1973L25.3Very low28.4Very low164 Ų164136.4 Ų136.486%0.85979%0.791SS**  trans-106.3112167.5-10175.8000108.7S1975L1973-S1975 PolarHBondContact O-N 3.01Å
1974P27.7Very low28.3Very low122 Ų122136.8 Ų136.879%0.79279%0.792SS**  trans-84.792.4159.531.2-29.9000109.4K1976P1974-K1976 PolarHBondContact O-N 2.66Å
1975S25.6Very low28.1Very low89 Ų89136.7 Ų136.762%0.62279%0.792SS**  trans-63.8119.4175.644.30000111.9L1973 S1977L1973-S1975 PolarHBondContact O-N 3.01Å; S1975-S1977 PolarHBondContact O-N 3Å
1976K26.1Very low28Very low186 Ų186134.1 Ų134.181%0.80979%0.789SS**  trans-80.663.7172.2-79.9-171.9173.3178.90112.2P1974P1974-K1976 PolarHBondContact O-N 2.66Å
1977S27.2Very low27.9Very low87 Ų87129.3 Ų129.361%0.60878%0.784SS**  trans-166.9155.3170.961.30000111.3S1975S1975-S1977 PolarHBondContact O-N 3Å
1978P31.1Very low27.9Very low116 Ų116128.6 Ų128.675%0.75378%0.775SS**  cis-124.6170.4-20.739-25.5000112.4
1979A27.1Very low27.6Very low105 Ų105128.3 Ų128.387%0.86877%0.767SS**  trans-123.876.7170.900000111.2
1980V28.7Very low27.6Very low149 Ų149131.4 Ų131.490%0.90377%0.767SS**  trans-101.191.1166.6179.30000107
1981G27Very low27.6Very low66 Ų66126.1 Ų126.168%0.6875%0.754SS**SBendtrans-159.19.3-168.100000117.4
1982G33.1Very low27.6Very low82 Ų82122.1 Ų122.185%0.84575%0.747SS**  trans70.357.4164.500000117.2
1983T25Very low27.7Very low131 Ų131124.2 Ų124.280%0.80474%0.744SS**  trans-135164.818043.30000114.2
1984L26.6Very low27.7Very low158 Ų158124.7 Ų124.783%0.82774%0.742SS**  trans-76.2178.6166.8-77.267.3000110.8
1985E26.7Very low27.8Very low171 Ų171127.5 Ų127.580%0.79975%0.745SS**  trans90.1133.4160.5-49.5-163.5147.800119.9
1986T29Very low28Very low125 Ų125128.8 Ų128.877%0.76775%0.749SS**  trans5.4137.915857.10000121.8
1987G27.4Very low28.2Very low67 Ų67131 Ų13169%0.69175%0.752SS**  trans-168.914.7172.900000122.7I1989G1987-I1989 PolarHBondContact O-N 2.65Å
1988Y29Very low28.3Very low158 Ų158137 Ų13762%0.6279%0.785SS**  trans-78.483.8171.4-100.4-68.5000111L1892 H1894 H1990L1892-Y1988 PolarHBondContact O-OH 3.2Å; H1894-Y1988 PolarHBondContact N-OH 3.32Å; Y1988-H1990 PolarHBondContact O-N 3.43Å
1989I25.7Very low28.2Very low139 Ų139138 Ų13871%0.71379%0.787SS**  trans-82.4103.8177.8-58.2175000109.9G1987G1987-I1989 PolarHBondContact O-N 2.65Å
1990H29.2Very low28.2Very low148 Ų148139.7 Ų139.769%0.68578%0.782SS**  trans-89103.3161.6-140-63.2000108.8Y1988Y1988-H1990 PolarHBondContact O-N 3.43Å
1991C27.7Very low28.2Very low82 Ų82139.2 Ų139.255%0.55478%0.776SS**  trans-63.9144.4166.4-56.90000109
1992G26.8Very low28.2Very low62 Ų62143.5 Ų143.564%0.63978%0.781SS**  cis-173.7153.5-11.400000111
1993Y28.9Very low27.9Very low201 Ų201147.4 Ų147.479%0.78878%0.777SS**  trans-145.591.2171.1-102.8-83.6000109
1994E26.9Very low28.1Very low175 Ų175148.5 Ų148.582%0.81878%0.776SS**  trans-92.496.1165.1-70-169.4123.300108.7T1996E1994-T1996 VanDerWaalsContact C-N 3.31Å; E1994-T1996 HydrophobicContact CB-CG2 4.44Å; E1994-T1996 PolarHBondContact O-N 2.62Å; E1994-T1996 VanDerWaalsContact O-N 3.11Å
1995E29.1Very low28.3Very low181 Ų181147.8 Ų147.885%0.84677%0.772SS**  trans-78.885.1164.6-72.7-174.7149.300109R1997E1995-R1997 PolarHBondContact O-N 3.13Å
1996T30.5Very low28.4Very low116 Ų116146 Ų14671%0.71277%0.77SS**  trans-84.792.4177.433.20000111.7E1994E1994-T1996 VanDerWaalsContact C-N 3.31Å; E1994-T1996 HydrophobicContact CB-CG2 4.44Å; E1994-T1996 PolarHBondContact O-N 2.62Å; E1994-T1996 VanDerWaalsContact O-N 3.11Å
1997R30.4Very low28.3Very low232 Ų232147.8 Ų147.888%0.87577%0.77SS**  trans47.4117.1160.2-72.9-179.2171.7164.6-3.3118.2E1995E1995-R1997 PolarHBondContact O-N 3.13Å
1998T28.3Very low28.4Very low212 Ų212155.1 Ų155.1100%1.30178%0.777SS**  -102.5089.744.90000109.4

Retrieved 1,998 of 1,998 residues in 1097.9 ms (Link to these results)

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