A0A3Q0KNT3_SCHMA Loading...

Putative ikappab kinase complex-associated protein

AlphaFold DB , UniProt , Accession A0A3Q0KNT3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,502 aa.

>A0A3Q0KNT3_SCHMA|A0A3Q0KNT3
MRNLNLSSCGSLWLEGHNVRHISLDDCSNNITVSFEKSIELISSLGVNTYHAQSTQQEIHSCFAISPPVYLVASSSEIFLWHSLNHQIYEKLDLKTELKAISISPDLSKTVVVTGDGFIHILSSTLETISNFSLYEEGFGSALPVSLGWGKKETQFHGSEGKEAALAKPILPVSNIQYDDGRFEIAWRDDGLYFAVSWIDPLTENRRRIRVYNDTGELFSTTEITNMISPGLCWRPRVQLITTAQRREGRGLDIIFFESNSQRHGEFELIDGESEKFYQVESILFSPTGSILAVLCSGTQNHPWFIRLLTCSNYQWSTKQHFCIADNSLNDSQISNVSLTWDHHAYSTDLSTLYCAISIKELLPNNNQVNSKTLLQCWKMNNMYNSSCILTNCRVNTVKSINSGLVAVINGNTVEMSCFAYSVIPPPMFATRLVFYSNSANQSNKIQCNFTPFVSSVSIPSLWLGNECHSSNNVMPMLIQTVDCQSSKNIFPNTYFITITNGTFLEKESFCNGEVYSEWHNGGKNTSPWPKTVDKIDMDKLFSECNGNDESLKSLILTELKQKNTCLFSPLSCFTWLSLYEVLFIGADGLLLGYLNMKSLYTGDDDSDGSVNGRWLLRASSSAQEFKTLLERNNSKFARMTTICCTIDGRVCVQMSNGTVYIYPVQDILNNNCCYEILQINEFTIDNLHSYNPLNCIIQFPSYCDQLLCIPIYDEYNYNPIQSYSALILLGFNKSTHCLYAAVLPKINTGHFQQNNIIALNITDSCSSLIGLSEFLIVTNVNKLLICVSLLFNSSQINDPNSLLKELLSRLNIPSELDTSTRKPPRNWYNDNLHPIESGAIIVTAIPNDTKVILQMPRGNLEEIHPRALVLAHLSKLLNNKQYEQAVQMMRRHRINFNLLHDYNPNLFLSNIKQFLQSIDDPDLITLFISDLVEEDVTETIYHKFYSKSSERHRSTLATSKLDRITDIFIDEMEKYNPTKLIVPIITCYAKKVPPNYEAGLSRLKLLHENGDINTWNNGLRHLQYFATPIELYKVALGTYDLNFATTMAQRTQLDPKEYLAELNELNSVTNDLKKYQCDTMEEAIAYQQFKIDHSLKKYSKAVLHLIDSGPKHKAELLSYVKAYNLYAQVIEVIPQNSEEFKIICQLWADYLITSQNLIYAGQIYMKGGFYGLAAKTFLSATNTQLWCIAAANSRLLNDKNNTDLSTDHYLSNTEIRTQAQKLAARLKDLRRHQEAIQIYVDFLEDPVMAIRTACEDCLWMDAHRLASLYNKQEFLNQILKSSLIEHYSILKERLHKSIDTYDKLFDRLITLRQMHKQQAETQRFVQMHGDREYFDDNFSESDVNSDTSSMSGDSITSSMSQMSLRTSGSKKSGRSMKAKRKQEAKRWSSKPGSKYEEVGLLHELTQSIELGQSLANEVMNSLTEFWYTNMFGEGRTLIRSTNDLLRKQKQGLSSIWDDWTTGKCIAGENEQFFGRKKYPIQEAFLCFPPKMKRTIIECCMY
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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
1M66.4Low73.6Confident26 Ų2621.2 Ų21.213%0.12813%0.13CC..  0149.70-85.3-158.9-104.100109.6T310 Q315 S317 Y384 V408M1-T310 PolarHBondContact SD-OG1 3.09Å; M1-T310 VanDerWaalsContact SD-OG1 3.42Å; M1-Q315 WeakPolarHBondContact CE-O 3.37Å; M1-S317 VanDerWaalsContact CE-CB 3.48Å; M1-S317 WeakPolarHBondContact CE-OG 3.46Å; M1-S317 PolarHBondContact SD-OG 3.2Å; M1-Y384 WeakPolarHBondContact O-CE1 3.18Å; M1-V408 HydrophobicContact CB-CG1 4.14Å; M1-V408 WeakPolarHBondContact O-CG1 3.43Å; M1-V408 WeakPolarHBondContact O-CG2 3.46Å
2R79.5Confident73.6Confident44 Ų4421.8 Ų21.817%0.16613%0.132CC..  trans-78.4151175.5-61.2177.8-159.6-176.216.8110.8K319 D349 N382 Y384R2-K319 WeakPolarHBondContact O-CE 3.26Å; R2-D349 IonicContact CZ-OD1 2.65Å; R2-D349 IonicContact CZ-OD2 3Å; R2-D349 IonicContact NH1-OD1 3.99Å; R2-D349 PolarHBondContact NH1-OD1 3.39Å; R2-D349 IonicContact NH1-OD2 2.94Å; R2-D349 PolarHBondContact NH1-OD2 3.03Å; R2-D349 IonicContact NH2-OD2 3.62Å; R2-N382 HydrophobicContact CB-CB 4.3Å; R2-Y384 HydrophobicContact CG-CD2 3.89Å; R2-Y384 HydrophobicContact CG-CE1 4.11Å; R2-Y384 HydrophobicContact CG-CE2 3.4Å; R2-Y384 VanDerWaalsContact CG-CE2 3.4Å; R2-Y384 HydrophobicContact CG-CG 4.4Å
3N85.8Confident73.8Confident0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-81.3147.7169.7-60.9-25.8000109.3N5 N382 M383 N385 A407 V408 I409N3-N5 PolarHBondContact O-N 3.43Å; N3-N382 WeakPolarHBondContact O-CA 2.94Å; N3-M383 WeakPolarHBondContact CB-O 3.4Å; N3-M383 PolarHBondContact N-O 2.81Å; N3-M383 PolarHBondContact O-N 3.2Å; N3-N385 PolarHBondContact ND2-OD1 3.02Å; N3-A407 PolarHBondContact ND2-O 2.91Å; N3-V408 VanDerWaalsContact OD1-CA 3.29Å; N3-V408 WeakPolarHBondContact OD1-CA 3.16Å; N3-I409 HydrophobicContact CB-CD1 4.47Å; N3-I409 PolarHBondContact OD1-N 2.96Å
4L85.8Confident74.3Confident0 Ų022.2 Ų22.20%013%0.126CC..EExtended strand (participates in β ladder)trans-91.294.8168.7-75.4175.2000107.7I291 L308 T310 K319 Q320 M380 N382L4-I291 HydrophobicContact CD1-CD1 4.13Å; L4-I291 HydrophobicContact CD1-CG1 4.3Å; L4-I291 HydrophobicContact CD1-CG2 3.96Å; L4-I291 HydrophobicContact CD2-CD1 3.52Å; L4-I291 HydrophobicContact CD2-CG1 4.18Å; L4-I291 HydrophobicContact CG-CD1 4.49Å; L4-L308 HydrophobicContact CD1-CB 3.92Å; L4-L308 HydrophobicContact CD1-CD1 4.28Å; L4-T310 HydrophobicContact CD1-CG2 4.15Å; L4-T310 HydrophobicContact CG-CG2 4.4Å; L4-K319 HydrophobicContact CB-CB 4.01Å; L4-K319 HydrophobicContact CD1-CB 3.72Å; L4-K319 HydrophobicContact CD1-CG 4.43Å; L4-K319 HydrophobicContact CG-CB 3.87Å; L4-K319 HydrophobicContact CG-CG 4.4Å; L4-Q320 HydrophobicContact CB-CG 3.93Å; L4-Q320 PolarHBondContact O-NE2 3.17Å; L4-M380 HydrophobicContact CD2-CB 4.26Å; L4-N382 WeakPolarHBondContact CD2-OD1 3.5Å
5N79.3Confident74.6Confident39 Ų3929.5 Ų29.521%0.20916%0.159CC..EExtended strand (participates in β ladder)trans-85.6126.1178.1-68.7-16000109N3 S7 M380 N381N3-N5 PolarHBondContact O-N 3.43Å; N5-S7 PolarHBondContact O-N 3.38Å; N5-M380 WeakPolarHBondContact O-CA 3.49Å; N5-N381 PolarHBondContact N-O 3.39Å; N5-N381 PolarHBondContact O-N 3.43Å
6L74.7Confident74.6Confident11 Ų1127.9 Ų27.96%0.05815%0.152CC..EExtended strand (participates in β ladder)trans-66.4122.4172.3-81.7118.6000109.8C9 Q320 F322 W378 M380 P570 S572L6-C9 VanDerWaalsContact CD2-SG 3.53Å; L6-Q320 HydrophobicContact CD1-CG 4.42Å; L6-F322 HydrophobicContact CD1-CE1 3.86Å; L6-F322 HydrophobicContact CD1-CZ 4.02Å; L6-F322 HydrophobicContact CD2-CE1 4.2Å; L6-F322 HydrophobicContact CD2-CZ 4.12Å; L6-F322 HydrophobicContact CG-CZ 4.44Å; L6-W378 HydrophobicContact CD2-CB 4.01Å; L6-W378 HydrophobicContact CD2-CG 4.06Å; L6-M380 HydrophobicContact CG-CG 4.31Å; L6-P570 HydrophobicContact CD1-CB 4.42Å; L6-P570 HydrophobicContact CD1-CG 4.15Å; L6-S572 WeakPolarHBondContact O-CB 3.27Å
7S68.5Low74.9Confident8 Ų831.4 Ų31.46%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-97.2-37.417856.70000112.1N5 K379N5-S7 PolarHBondContact O-N 3.38Å; S7-K379 PolarHBondContact N-O 3.33Å; S7-K379 WeakPolarHBondContact OG-CB 3.43Å; S7-K379 PolarHBondContact OG-O 2.9Å; S7-K379 VanDerWaalsContact OG-O 3.13Å
8S66.7Low75.5Confident30 Ų3031.2 Ų31.221%0.2117%0.166CC..EExtended strand (participates in β ladder)trans-155145.6173.171.20000111.3K379S8-K379 PolarHBondContact O-N 3.19Å; S8-K379 WeakPolarHBondContact OG-CB 3.48Å; S8-K379 WeakPolarHBondContact OG-CD 3.3Å; S8-K379 WeakPolarHBondContact OG-CG 3.47Å
9C66.9Low76.2Confident16 Ų1629.6 Ų29.611%0.10816%0.157CC..EExtended strand (participates in β ladder)trans-111.5151.9169-540000109.2L6 C377 D588 R639L6-C9 VanDerWaalsContact CD2-SG 3.53Å; C9-C377 CarbonylContact C-O 3.57Å; C9-C377 VanDerWaalsContact CA-O 3.3Å; C9-C377 WeakPolarHBondContact CA-O 3.43Å; C9-D588 HydrophobicContact CB-CB 4.1Å; C9-R639 PolarHBondContact O-NH1 3.41Å
10G66.3Low76.9Confident24 Ų2433.7 Ų33.725%0.24717%0.17CC..EExtended strand (participates in β ladder)trans-137.8147.2172.400000110.2Q376 C377G10-Q376 CarbonylContact O-C 3.59Å; G10-Q376 VanDerWaalsContact O-CA 3.31Å; G10-Q376 WeakPolarHBondContact O-CA 3.35Å; G10-C377 PolarHBondContact N-O 2.85Å; G10-C377 PolarHBondContact O-N 3Å
11S69.7Low77.6Confident35 Ų3534.1 Ų34.125%0.24517%0.172CC..EExtended strand (participates in β ladder)trans-140.7139.8175.157.60000110.9L375S11-L375 CarbonylContact C-O 3.6Å; S11-L375 VanDerWaalsContact CA-O 3.26Å; S11-L375 WeakPolarHBondContact CA-O 3.26Å
12L73.3Confident78.8Confident29 Ų2933 Ų3315%0.15217%0.166CC..EExtended strand (participates in β ladder)trans-141.4133.5178.9176.462.1000109.3L14 I42 L375 N633L12-L14 HydrophobicContact CD2-CD2 3.84Å; L12-L14 HydrophobicContact CG-CD2 3.99Å; L12-I42 HydrophobicContact CD2-CD1 4.33Å; L12-I42 HydrophobicContact CD2-CG2 4.19Å; L12-L375 HydrophobicContact CB-CB 4.41Å; L12-L375 PolarHBondContact N-O 3.49Å; L12-L375 PolarHBondContact O-N 2.98Å; L12-N633 WeakPolarHBondContact CD1-OD1 3.12Å
13W76.5Confident79.2Confident45 Ų4531.4 Ų31.417%0.1716%0.162CC..EExtended strand (participates in β ladder)trans-90.6131.7172.6-73.899.5000110.4I359 K372 L374 T565W13-I359 HydrophobicContact CH2-CD1 3.92Å; W13-I359 HydrophobicContact CZ3-CD1 4.21Å; W13-K372 HydrophobicContact CE3-CB 3.73Å; W13-K372 HydrophobicContact CE3-CD 4.38Å; W13-K372 HydrophobicContact CZ3-CB 3.65Å; W13-L374 HydrophobicContact CD2-CB 4.47Å; W13-L374 HydrophobicContact CD2-CD1 3.87Å; W13-L374 HydrophobicContact CE3-CB 4.04Å; W13-L374 HydrophobicContact CE3-CD1 4.29Å; W13-L374 HydrophobicContact CG-CD1 4.23Å; W13-L374 HydrophobicContact CH2-CB 4.27Å; W13-L374 HydrophobicContact CZ2-CD1 4.21Å; W13-L374 HydrophobicContact CZ3-CB 3.92Å; W13-T565 HydrophobicContact CH2-CG2 3.56Å; W13-T565 HydrophobicContact CZ2-CG2 3.5Å; W13-T565 VanDerWaalsContact CZ2-CG2 3.5Å
14L80.5Confident79Confident4 Ų432.1 Ų32.12%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-110.8150.5178-57-178.8000109.7L12 V33 F35 E40 I42 T373 L375L12-L14 HydrophobicContact CD2-CD2 3.84Å; L12-L14 HydrophobicContact CG-CD2 3.99Å; L14-V33 HydrophobicContact CD1-CB 4.08Å; L14-V33 HydrophobicContact CD1-CG1 4.06Å; L14-V33 HydrophobicContact CD1-CG2 3.79Å; L14-F35 HydrophobicContact CB-CZ 4.09Å; L14-F35 HydrophobicContact CD1-CZ 3.96Å; L14-E40 VanDerWaalsContact CB-OE2 3.29Å; L14-E40 WeakPolarHBondContact CB-OE2 3.22Å; L14-E40 WeakPolarHBondContact CD2-OE2 3.2Å; L14-I42 HydrophobicContact CD1-CD1 3.98Å; L14-I42 HydrophobicContact CD2-CD1 3.67Å; L14-I42 HydrophobicContact CD2-CG1 4.3Å; L14-I42 HydrophobicContact CG-CD1 4.48Å; L14-T373 PolarHBondContact N-O 3.4Å; L14-T373 PolarHBondContact O-N 3.36Å; L14-L375 HydrophobicContact CD1-CB 4.07Å; L14-L375 HydrophobicContact CG-CB 4.35Å
15E78.5Confident78.5Confident131 Ų13132.4 Ų32.461%0.61217%0.167SC*.SBendtrans-79.8-29.5-179-66.3-166.2154.200111.9H17 E40 L629E15-H17 PolarHBondContact O-CE1 3.24Å; E15-H17 PolarHBondContact O-ND1 3.4Å; E15-E40 PolarHBondContact N-OE1 3.24Å; E15-L629 HydrophobicContact CG-CD1 3.6Å; E15-L629 WeakPolarHBondContact OE1-CD1 3.39Å
16G76Confident77.9Confident5 Ų533.2 Ų33.25%0.05217%0.171CC..  trans-56.7150.3-179.500000115.1F35 E40 T373G16-F35 VanDerWaalsContact C-CE1 3.42Å; G16-F35 WeakPolarHBondContact O-CE1 3.07Å; G16-E40 PolarHBondContact N-OE1 3.19Å; G16-T373 WeakPolarHBondContact O-CB 3.14Å; G16-T373 PolarHBondContact O-OG1 2.87Å
17H79.1Confident77.4Confident87 Ų8738.1 Ų38.140%0.40321%0.205SC..  trans-116.8144.5-174.9-54.7-29.9000111.3E15 F35 S371E15-H17 PolarHBondContact O-CE1 3.24Å; E15-H17 PolarHBondContact O-ND1 3.4Å; H17-F35 WeakPolarHBondContact O-CB 3.21Å; H17-S371 WeakPolarHBondContact CB-OG 3.46Å; H17-S371 PolarHBondContact CD2-OG 3.31Å; H17-S371 PolarHBondContact CE1-O 3.06Å; H17-S371 PolarHBondContact CE1-OG 3.18Å; H17-S371 VanDerWaalsContact CE1-OG 3.25Å; H17-S371 VanDerWaalsContact ND1-C 3.35Å; H17-S371 VanDerWaalsContact ND1-CB 3.28Å; H17-S371 WeakPolarHBondContact ND1-CB 3.4Å; H17-S371 PolarHBondContact ND1-O 3.31Å; H17-S371 PolarHBondContact ND1-OG 3.11Å; H17-S371 PolarHBondContact NE2-OG 3.23Å
18N85.3Confident77.2Confident28 Ų2839.7 Ų39.715%0.1522%0.216CC..SBendtrans54.569.8176.2-165.330.2000112.3R20 E36 S358N18-R20 PolarHBondContact O-N 3.02Å; N18-E36 PolarHBondContact ND2-OE2 3.07Å; N18-S358 PolarHBondContact N-OG 3.14Å
19V89.5Confident77.3Confident0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-55135.6178.3680000110.1V33 F35 N336 A356 S358 T373V19-V33 HydrophobicContact CG2-CG1 3.68Å; V19-F35 HydrophobicContact CB-CD1 4.26Å; V19-F35 HydrophobicContact CB-CE1 4.18Å; V19-F35 HydrophobicContact CG2-CE1 4.48Å; V19-N336 HydrophobicContact CG1-CB 4.3Å; V19-N336 WeakPolarHBondContact O-CB 3.48Å; V19-N336 PolarHBondContact O-ND2 2.65Å; V19-A356 HydrophobicContact CB-CB 4.4Å; V19-A356 HydrophobicContact CG1-CB 4.3Å; V19-A356 HydrophobicContact CG2-CB 3.83Å; V19-S358 WeakPolarHBondContact CB-OG 3.43Å; V19-S358 WeakPolarHBondContact CG1-OG 3.41Å; V19-S358 PolarHBondContact N-OG 3.15Å; V19-T373 HydrophobicContact CB-CG2 4.34Å
20R89.3Confident77.8Confident112 Ų11243 Ų4342%0.42323%0.231SC..EExtended strand (participates in β ladder)trans-113-38.3179.6-66.3-63.8-170.5147.14.6112.1N18 S34 E36 H60N18-R20 PolarHBondContact O-N 3.02Å; R20-S34 PolarHBondContact N-O 3.47Å; R20-E36 IonicContact NH2-OE2 3.15Å; R20-H60 VanDerWaalsContact CB-O 3.26Å; R20-H60 WeakPolarHBondContact CB-O 3.4Å
21H91.2Very high78.8Confident43 Ų4342.6 Ų42.620%0.19922%0.222CC..EExtended strand (participates in β ladder)trans-152.9147.7-175.3-176.8-108.5000111.1S34 C62 F63H21-S34 PolarHBondContact N-O 3.12Å; H21-S34 PolarHBondContact O-N 2.96Å; H21-C62 PolarHBondContact ND1-O 3.46Å; H21-F63 AromaticContact CE1-CD1 3.63Å; H21-F63 AromaticContact CE1-CE1 3.17Å; H21-F63 WeakPolarHBondContact CE1-CE1 3.28Å; H21-F63 AromaticContact CE1-CZ 3.61Å; H21-F63 AromaticContact NE2-CE1 3.4Å; H21-F63 WeakPolarHBondContact NE2-CE1 3.44Å; H21-F63 AromaticContact NE2-CZ 3.73Å
22I91.5Very high79.7Confident3 Ų340.9 Ų40.92%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-132131.2171-173.5174.6000109.3I31 T32 V33 S338 T340 A356 L375I22-I31 HydrophobicContact CD1-CG2 3.93Å; I22-I31 HydrophobicContact CG1-CG2 3.96Å; I22-T32 VanDerWaalsContact CA-O 3.32Å; I22-T32 WeakPolarHBondContact CA-O 3.42Å; I22-V33 HydrophobicContact CD1-CG2 4.31Å; I22-V33 HydrophobicContact CG1-CG2 4.23Å; I22-S338 WeakPolarHBondContact CG2-OG 3.28Å; I22-S338 PolarHBondContact N-OG 3.07Å; I22-T340 HydrophobicContact CB-CG2 4.26Å; I22-T340 HydrophobicContact CD1-CG2 4.11Å; I22-T340 HydrophobicContact CG1-CG2 3.81Å; I22-T340 HydrophobicContact CG2-CG2 3.7Å; I22-A356 HydrophobicContact CD1-CB 4.39Å; I22-L375 HydrophobicContact CD1-CD1 3.53Å
23S88.3Confident80.5Confident10 Ų1039.5 Ų39.57%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-135.2145.4175.253.30000111.3T32 C62S23-T32 PolarHBondContact N-O 3.33Å; S23-T32 WeakPolarHBondContact O-CB 3.49Å; S23-T32 PolarHBondContact O-N 2.92Å; S23-T32 PolarHBondContact O-OG1 3.24Å; S23-T32 VanDerWaalsContact OG-CB 3.24Å; S23-T32 WeakPolarHBondContact OG-CB 3.32Å; S23-T32 PolarHBondContact OG-OG1 2.77Å; S23-C62 PolarHBondContact OG-O 3.05Å
24L82.5Confident81.3Confident14 Ų1437.4 Ų37.47%0.07320%0.195CC..EExtended strand (participates in β ladder)trans-103.5149.6167.3-87.488.4000110.2N30 I31 T340 D342 Y354L24-N30 WeakPolarHBondContact CA-O 3.49Å; L24-I31 HydrophobicContact CD1-CG1 4.28Å; L24-I31 HydrophobicContact CD1-CG2 4.35Å; L24-I31 HydrophobicContact CD2-CG1 4.2Å; L24-I31 HydrophobicContact CG-CG1 3.98Å; L24-T340 HydrophobicContact CD1-CG2 3.33Å; L24-D342 HydrophobicContact CD2-CB 4.35Å; L24-Y354 HydrophobicContact CD1-CD2 3.54Å; L24-Y354 HydrophobicContact CD1-CE2 3.95Å; L24-Y354 HydrophobicContact CD1-CG 4.03Å; L24-Y354 HydrophobicContact CD2-CD2 3.96Å; L24-Y354 HydrophobicContact CD2-CE2 3.47Å; L24-Y354 VanDerWaalsContact CD2-CE2 3.47Å; L24-Y354 HydrophobicContact CG-CD2 4.42Å; L24-Y354 HydrophobicContact CG-CE2 4.36Å
25D74.2Confident81.8Confident6 Ų637.2 Ų37.23%0.03220%0.195CC..  trans-93.8124.1167.5174.143.7000111.3C27 S28 N29 N30 A64 P67D25-C27 PolarHBondContact O-N 2.92Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 PolarHBondContact OD1-N 3.04Å; D25-C27 PolarHBondContact OD2-N 3.3Å; D25-S28 WeakPolarHBondContact OD2-CB 3.49Å; D25-S28 PolarHBondContact OD2-N 3.26Å; D25-S28 PolarHBondContact OD2-OG 2.65Å; D25-N29 PolarHBondContact O-N 3.38Å; D25-N30 PolarHBondContact N-O 2.64Å; D25-A64 HydrophobicContact CB-CB 3.71Å; D25-P67 HydrophobicContact CB-CG 4.48Å; D25-P67 WeakPolarHBondContact OD2-CG 3.24Å
26D67.8Low82.2Confident57 Ų5733.5 Ų33.531%0.30518%0.177SC..THydrogen-bonded Turntrans-64.1-12-179-70.625.8000114.1H343 H344D26-H343 VanDerWaalsContact CG-CB 3.43Å; D26-H343 WeakPolarHBondContact OD1-CB 3.25Å; D26-H343 IonicContact OD1-CG 2.6Å; D26-H343 IonicContact OD1-ND1 2.98Å; D26-H343 WeakPolarHBondContact OD2-CB 3.41Å; D26-H344 VanDerWaalsContact C-CE1 3.4Å; D26-H344 PolarHBondContact O-CE1 3.34Å; D26-H344 PolarHBondContact O-ND1 2.96Å; D26-H344 PolarHBondContact O-NE2 3.3Å
27C63.7Low82.8Confident113 Ų11338.8 Ų38.876%0.76420%0.199SC*.THydrogen-bonded Turntrans-108.1-36.8-177.8-70.80000113.3D25D25-C27 PolarHBondContact O-N 2.92Å; D25-C27 VanDerWaalsContact O-N 3.14Å; D25-C27 PolarHBondContact OD1-N 3.04Å; D25-C27 PolarHBondContact OD2-N 3.3Å
28S65Low83.3Confident42 Ų4235.2 Ų35.229%0.29418%0.184SC..THydrogen-bonded Turntrans-109-3.9-169.9660000115.5D25 N30D25-S28 WeakPolarHBondContact OD2-CB 3.49Å; D25-S28 PolarHBondContact OD2-N 3.26Å; D25-S28 PolarHBondContact OD2-OG 2.65Å; S28-N30 WeakPolarHBondContact CB-ND2 3.39Å; S28-N30 PolarHBondContact O-N 3.18Å; S28-N30 VanDerWaalsContact O-N 3.14Å; S28-N30 WeakPolarHBondContact OG-CB 3.42Å; S28-N30 PolarHBondContact OG-N 3.48Å; S28-N30 PolarHBondContact OG-ND2 2.98Å
29N67.3Low83.5Confident90 Ų9033.9 Ų33.948%0.48118%0.177SC..  trans55.718.9-169.7-78.7-61.5000113.7D25 H344D25-N29 PolarHBondContact O-N 3.38Å; N29-H344 PolarHBondContact OD1-CD2 2.83Å; N29-H344 PolarHBondContact OD1-NE2 3.06Å
30N79.4Confident83.6Confident25 Ų2534.3 Ų34.313%0.13418%0.178CC..  trans-77.9137.3176.7-68.9-25000109.7L24 D25 S28 I42 S43L24-N30 WeakPolarHBondContact CA-O 3.49Å; D25-N30 PolarHBondContact N-O 2.64Å; S28-N30 WeakPolarHBondContact CB-ND2 3.39Å; S28-N30 PolarHBondContact O-N 3.18Å; S28-N30 VanDerWaalsContact O-N 3.14Å; S28-N30 WeakPolarHBondContact OG-CB 3.42Å; S28-N30 PolarHBondContact OG-N 3.48Å; S28-N30 PolarHBondContact OG-ND2 2.98Å; N30-I42 CarbonylContact C-O 3.49Å; N30-I42 WeakPolarHBondContact CA-O 3.24Å; N30-S43 VanDerWaalsContact OD1-CA 3.3Å; N30-S43 WeakPolarHBondContact OD1-CA 3.33Å; N30-S43 WeakPolarHBondContact OD1-CB 3.42Å
31I85.5Confident83.4Confident15 Ų1529.3 Ų29.38%0.07716%0.16CC..EExtended strand (participates in β ladder)trans-104129.4176.8-52.4165.2000107.8I22 L24 V33 I42 Y354 L375I22-I31 HydrophobicContact CD1-CG2 3.93Å; I22-I31 HydrophobicContact CG1-CG2 3.96Å; L24-I31 HydrophobicContact CD1-CG1 4.28Å; L24-I31 HydrophobicContact CD1-CG2 4.35Å; L24-I31 HydrophobicContact CD2-CG1 4.2Å; L24-I31 HydrophobicContact CG-CG1 3.98Å; I31-V33 HydrophobicContact CG2-CG2 4.09Å; I31-I42 HydrophobicContact CB-CB 4.2Å; I31-I42 HydrophobicContact CB-CD1 4.43Å; I31-I42 HydrophobicContact CG2-CD1 4.46Å; I31-I42 PolarHBondContact N-O 3.42Å; I31-I42 PolarHBondContact O-N 3.5Å; I31-Y354 HydrophobicContact CD1-CD1 3.81Å; I31-Y354 HydrophobicContact CD1-CE1 3.34Å; I31-Y354 HydrophobicContact CG1-CE1 4.33Å; I31-L375 HydrophobicContact CD1-CD2 4.23Å; I31-L375 HydrophobicContact CG2-CD2 4.44Å
32T89.4Confident83.1Confident0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-108.3118.1180-170000106.9I22 S23 I39 L41 C62 Y70I22-T32 VanDerWaalsContact CA-O 3.32Å; I22-T32 WeakPolarHBondContact CA-O 3.42Å; S23-T32 PolarHBondContact N-O 3.33Å; S23-T32 WeakPolarHBondContact O-CB 3.49Å; S23-T32 PolarHBondContact O-N 2.92Å; S23-T32 PolarHBondContact O-OG1 3.24Å; S23-T32 VanDerWaalsContact OG-CB 3.24Å; S23-T32 WeakPolarHBondContact OG-CB 3.32Å; S23-T32 PolarHBondContact OG-OG1 2.77Å; T32-I39 HydrophobicContact CG2-CG2 4.07Å; T32-L41 HydrophobicContact CG2-CD2 3.26Å; T32-C62 HydrophobicContact CG2-CB 3.96Å; T32-Y70 HydrophobicContact CG2-CD1 4.07Å; T32-Y70 HydrophobicContact CG2-CE1 4.15Å
33V91Very high82.3Confident0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-115.5116.9175.6-171.20000108.7L14 V19 I22 I31 F35 I39 E40 I42 A356L14-V33 HydrophobicContact CD1-CB 4.08Å; L14-V33 HydrophobicContact CD1-CG1 4.06Å; L14-V33 HydrophobicContact CD1-CG2 3.79Å; V19-V33 HydrophobicContact CG2-CG1 3.68Å; I22-V33 HydrophobicContact CD1-CG2 4.31Å; I22-V33 HydrophobicContact CG1-CG2 4.23Å; I31-V33 HydrophobicContact CG2-CG2 4.09Å; V33-F35 HydrophobicContact CB-CE2 4.05Å; V33-F35 HydrophobicContact CB-CZ 4.08Å; V33-F35 HydrophobicContact CG1-CE1 3.84Å; V33-F35 HydrophobicContact CG1-CE2 3.77Å; V33-F35 HydrophobicContact CG1-CZ 3.39Å; V33-I39 CarbonylContact O-C 3.58Å; V33-I39 WeakPolarHBondContact O-CA 3.39Å; V33-E40 PolarHBondContact N-O 3.18Å; V33-E40 PolarHBondContact O-N 3.09Å; V33-I42 HydrophobicContact CG2-CD1 3.93Å; V33-A356 HydrophobicContact CG1-CB 4.45Å
34S92.9Very high81.2Confident0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-97.1127.2179.8-47.70000109.6R20 H21 C62R20-S34 PolarHBondContact N-O 3.47Å; H21-S34 PolarHBondContact N-O 3.12Å; H21-S34 PolarHBondContact O-N 2.96Å; S34-C62 VanDerWaalsContact OG-CB 3.27Å; S34-C62 WeakPolarHBondContact OG-CB 3.45Å; S34-C62 PolarHBondContact OG-N 3.35Å
35F91.5Very high80.5Confident1 Ų140.3 Ų40.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-112.2171174.2-57.5-76.5000109.2L14 G16 H17 V19 V33 K37 S38 E40 I59 T373L14-F35 HydrophobicContact CB-CZ 4.09Å; L14-F35 HydrophobicContact CD1-CZ 3.96Å; G16-F35 VanDerWaalsContact C-CE1 3.42Å; G16-F35 WeakPolarHBondContact O-CE1 3.07Å; H17-F35 WeakPolarHBondContact O-CB 3.21Å; V19-F35 HydrophobicContact CB-CD1 4.26Å; V19-F35 HydrophobicContact CB-CE1 4.18Å; V19-F35 HydrophobicContact CG2-CE1 4.48Å; V33-F35 HydrophobicContact CB-CE2 4.05Å; V33-F35 HydrophobicContact CB-CZ 4.08Å; V33-F35 HydrophobicContact CG1-CE1 3.84Å; V33-F35 HydrophobicContact CG1-CE2 3.77Å; V33-F35 HydrophobicContact CG1-CZ 3.39Å; F35-K37 PolarHBondContact O-N 3.32Å; F35-K37 VanDerWaalsContact O-N 3.17Å; F35-S38 CarbonylContact C-O 3.19Å; F35-S38 WeakPolarHBondContact CA-O 3.42Å; F35-S38 VanDerWaalsContact CB-O 3.3Å; F35-S38 WeakPolarHBondContact CB-O 3.17Å; F35-S38 PolarHBondContact N-O 3.35Å; F35-E40 HydrophobicContact CD2-CG 4.36Å; F35-E40 HydrophobicContact CE2-CB 3.98Å; F35-E40 HydrophobicContact CE2-CG 3.73Å; F35-I59 WeakPolarHBondContact O-CB 3.25Å; F35-T373 HydrophobicContact CE1-CG2 3.9Å; F35-T373 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T373 HydrophobicContact CZ-CG2 4.39Å
36E87Confident80.2Confident53 Ų5340.4 Ų40.425%0.24823%0.232CC..SBendtrans-57.6-33.2-179-167179.8132.100113.9N18 R20 I59N18-E36 PolarHBondContact ND2-OE2 3.07Å; R20-E36 IonicContact NH2-OE2 3.15Å; E36-I59 PolarHBondContact O-N 3.05Å
37K87.6Confident80.5Confident115 Ų11539.8 Ų39.850%0.523%0.23SC..SBendtrans-129.53-175.8-62.9-172.4178.3179.90114.9F35 A52F35-K37 PolarHBondContact O-N 3.32Å; F35-K37 VanDerWaalsContact O-N 3.17Å; K37-A52 PolarHBondContact O-N 3.04Å
38S90.3Very high81.4Confident13 Ų1338 Ų389%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-150.4161.4-179.657.20000111.8F35 Y50F35-S38 CarbonylContact C-O 3.19Å; F35-S38 WeakPolarHBondContact CA-O 3.42Å; F35-S38 VanDerWaalsContact CB-O 3.3Å; F35-S38 WeakPolarHBondContact CB-O 3.17Å; F35-S38 PolarHBondContact N-O 3.35Å; S38-Y50 CarbonylContact C-O 3.53Å; S38-Y50 WeakPolarHBondContact CA-O 3.45Å; S38-Y50 VanDerWaalsContact CB-O 3.25Å; S38-Y50 WeakPolarHBondContact CB-O 3.29Å
39I89.4Confident82.4Confident0 Ų038.1 Ų38.10%021%0.212CC..EExtended strand (participates in β ladder)trans-127.4130169.5-61.2156.5000106.8T32 V33 L41 T49 Y50 I59 C62 V72T32-I39 HydrophobicContact CG2-CG2 4.07Å; V33-I39 CarbonylContact O-C 3.58Å; V33-I39 WeakPolarHBondContact O-CA 3.39Å; I39-L41 HydrophobicContact CG2-CD2 4.29Å; I39-T49 CarbonylContact O-C 3.52Å; I39-T49 VanDerWaalsContact O-CA 3.29Å; I39-T49 WeakPolarHBondContact O-CA 3.37Å; I39-Y50 HydrophobicContact CD1-CD1 3.92Å; I39-Y50 HydrophobicContact CG1-CD1 4.44Å; I39-Y50 PolarHBondContact N-O 3.26Å; I39-Y50 PolarHBondContact O-N 2.73Å; I39-I59 HydrophobicContact CD1-CD1 4.01Å; I39-I59 HydrophobicContact CD1-CG2 4.04Å; I39-I59 HydrophobicContact CG1-CD1 3.91Å; I39-I59 HydrophobicContact CG1-CG2 3.95Å; I39-C62 HydrophobicContact CD1-CB 3.78Å; I39-C62 HydrophobicContact CG1-CB 4.11Å; I39-C62 HydrophobicContact CG2-CB 3.93Å; I39-V72 HydrophobicContact CD1-CB 4.29Å; I39-V72 HydrophobicContact CD1-CG1 3.62Å; I39-V72 HydrophobicContact CD1-CG2 3.68Å
40E90.2Very high83.3Confident8 Ų834.3 Ų34.34%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-106.9122.1172.7-68.6-179.9-160.900109.6L14 E15 G16 V33 F35 V47 T49L14-E40 VanDerWaalsContact CB-OE2 3.29Å; L14-E40 WeakPolarHBondContact CB-OE2 3.22Å; L14-E40 WeakPolarHBondContact CD2-OE2 3.2Å; E15-E40 PolarHBondContact N-OE1 3.24Å; G16-E40 PolarHBondContact N-OE1 3.19Å; V33-E40 PolarHBondContact N-O 3.18Å; V33-E40 PolarHBondContact O-N 3.09Å; F35-E40 HydrophobicContact CD2-CG 4.36Å; F35-E40 HydrophobicContact CE2-CB 3.98Å; F35-E40 HydrophobicContact CE2-CG 3.73Å; E40-V47 HydrophobicContact CB-CG1 3.99Å; E40-V47 HydrophobicContact CG-CG1 4.28Å; E40-T49 HydrophobicContact CG-CG2 3.93Å
41L86.5Confident83.6Confident8 Ų839 Ų394%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-97.4108.8173.7-60.9-178.7000109T32 I39 V47 N48 Y70 W81T32-L41 HydrophobicContact CG2-CD2 3.26Å; I39-L41 HydrophobicContact CG2-CD2 4.29Å; L41-V47 CarbonylContact O-C 3.59Å; L41-V47 VanDerWaalsContact O-CA 3.25Å; L41-V47 WeakPolarHBondContact O-CA 3.34Å; L41-N48 HydrophobicContact CB-CB 4.19Å; L41-N48 WeakPolarHBondContact CB-O 3.39Å; L41-N48 HydrophobicContact CD1-CB 4.48Å; L41-N48 PolarHBondContact N-O 3.42Å; L41-N48 PolarHBondContact O-N 3.19Å; L41-Y70 HydrophobicContact CD1-CD2 4.2Å; L41-Y70 HydrophobicContact CD1-CE1 4.45Å; L41-Y70 HydrophobicContact CD1-CE2 3.69Å; L41-Y70 HydrophobicContact CD2-CD1 3.97Å; L41-Y70 HydrophobicContact CD2-CE1 3.57Å; L41-Y70 HydrophobicContact CD2-CE2 4.29Å; L41-Y70 HydrophobicContact CD2-CG 4.48Å; L41-W81 HydrophobicContact CD1-CH2 3.45Å; L41-W81 VanDerWaalsContact CD1-CH2 3.45Å; L41-W81 HydrophobicContact CD1-CZ3 3.52Å; L41-W81 HydrophobicContact CD2-CZ3 4.23Å; L41-W81 HydrophobicContact CG-CH2 3.99Å; L41-W81 HydrophobicContact CG-CZ3 3.91Å
42I83.9Confident83.5Confident17 Ų1739.4 Ų39.49%0.08722%0.217CC..EExtended strand (participates in β ladder)trans-98.9116.5-178.3-50.6164.2000107.8L12 L14 N30 I31 V33 V47 L375L12-I42 HydrophobicContact CD2-CD1 4.33Å; L12-I42 HydrophobicContact CD2-CG2 4.19Å; L14-I42 HydrophobicContact CD1-CD1 3.98Å; L14-I42 HydrophobicContact CD2-CD1 3.67Å; L14-I42 HydrophobicContact CD2-CG1 4.3Å; L14-I42 HydrophobicContact CG-CD1 4.48Å; N30-I42 CarbonylContact C-O 3.49Å; N30-I42 WeakPolarHBondContact CA-O 3.24Å; I31-I42 HydrophobicContact CB-CB 4.2Å; I31-I42 HydrophobicContact CB-CD1 4.43Å; I31-I42 HydrophobicContact CG2-CD1 4.46Å; I31-I42 PolarHBondContact N-O 3.42Å; I31-I42 PolarHBondContact O-N 3.5Å; V33-I42 HydrophobicContact CG2-CD1 3.93Å; I42-V47 HydrophobicContact CB-CG2 4.47Å; I42-V47 HydrophobicContact CG1-CG2 4.15Å; I42-V47 HydrophobicContact CG2-CG2 4.28Å; I42-L375 HydrophobicContact CD1-CD2 3.5Å; I42-L375 VanDerWaalsContact CD1-CD2 3.5Å
43S75.7Confident82.9Confident29 Ų2946.2 Ų46.220%0.20325%0.249CC..EExtended strand (participates in β ladder)trans-125.2170.6177.471.20000110.7N30 L45 G46N30-S43 VanDerWaalsContact OD1-CA 3.3Å; N30-S43 WeakPolarHBondContact OD1-CA 3.33Å; N30-S43 WeakPolarHBondContact OD1-CB 3.42Å; S43-L45 PolarHBondContact O-N 3.28Å; S43-L45 VanDerWaalsContact O-N 3.14Å; S43-L45 PolarHBondContact OG-N 3.44Å; S43-L45 VanDerWaalsContact OG-N 3.16Å; S43-G46 PolarHBondContact N-O 3.37Å; S43-G46 PolarHBondContact O-N 3.44Å; S43-G46 PolarHBondContact OG-N 3.14Å; S43-G46 PolarHBondContact OG-O 2.83Å
44S65.2Low82.2Confident102 Ų10249 Ų4971%0.71327%0.268SS*.THydrogen-bonded Turntrans-63-14.1170.1620000114
45L66.3Low80.9Confident152 Ų15255 Ų5580%0.79631%0.305SS*.THydrogen-bonded Turntrans-96.3-9.5-179.5-65.6168.3000112.8S43S43-L45 PolarHBondContact O-N 3.28Å; S43-L45 VanDerWaalsContact O-N 3.14Å; S43-L45 PolarHBondContact OG-N 3.44Å; S43-L45 VanDerWaalsContact OG-N 3.16Å
46G68.9Low80Confident9 Ų962.8 Ų62.89%0.09334%0.341CS..EExtended strand (participates in β ladder)trans136.6-174-176.900000113.4S43S43-G46 PolarHBondContact N-O 3.37Å; S43-G46 PolarHBondContact O-N 3.44Å; S43-G46 PolarHBondContact OG-N 3.14Å; S43-G46 PolarHBondContact OG-O 2.83Å
47V74.7Confident79.6Confident43 Ų4360.6 Ų60.626%0.26133%0.331SS..EExtended strand (participates in β ladder)trans-106.2122.1178.2-179.10000109.3E40 L41 I42 N633E40-V47 HydrophobicContact CB-CG1 3.99Å; E40-V47 HydrophobicContact CG-CG1 4.28Å; L41-V47 CarbonylContact O-C 3.59Å; L41-V47 VanDerWaalsContact O-CA 3.25Å; L41-V47 WeakPolarHBondContact O-CA 3.34Å; I42-V47 HydrophobicContact CB-CG2 4.47Å; I42-V47 HydrophobicContact CG1-CG2 4.15Å; I42-V47 HydrophobicContact CG2-CG2 4.28Å; V47-N633 WeakPolarHBondContact CG2-ND2 3.3Å
48N81.7Confident79.6Confident75 Ų7559.4 Ų59.440%0.40133%0.327SS..EExtended strand (participates in β ladder)trans-106.1127.1172.3-81-17.4000109.8L41L41-N48 HydrophobicContact CB-CB 4.19Å; L41-N48 WeakPolarHBondContact CB-O 3.39Å; L41-N48 HydrophobicContact CD1-CB 4.48Å; L41-N48 PolarHBondContact N-O 3.42Å; L41-N48 PolarHBondContact O-N 3.19Å
49T85.2Confident79.6Confident45 Ų4558.9 Ų58.928%0.27632%0.324SS..EExtended strand (participates in β ladder)trans-108.7130.2-176.6-46.40000111.2I39 E40I39-T49 CarbonylContact O-C 3.52Å; I39-T49 VanDerWaalsContact O-CA 3.29Å; I39-T49 WeakPolarHBondContact O-CA 3.37Å; E40-T49 HydrophobicContact CG-CG2 3.93Å
50Y86.6Confident79.6Confident10 Ų1062.4 Ų62.44%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-96.7136163173.7-94.7000108.9S38 I39 I59 F79 W81S38-Y50 CarbonylContact C-O 3.53Å; S38-Y50 WeakPolarHBondContact CA-O 3.45Å; S38-Y50 VanDerWaalsContact CB-O 3.25Å; S38-Y50 WeakPolarHBondContact CB-O 3.29Å; I39-Y50 HydrophobicContact CD1-CD1 3.92Å; I39-Y50 HydrophobicContact CG1-CD1 4.44Å; I39-Y50 PolarHBondContact N-O 3.26Å; I39-Y50 PolarHBondContact O-N 2.73Å; Y50-I59 HydrophobicContact CD1-CD1 4.01Å; Y50-I59 HydrophobicContact CE1-CD1 3.96Å; Y50-F79 HydrophobicContact CE1-CZ 4.22Å; Y50-F79 AromaticContact CZ-CZ 3.89Å; Y50-F79 WeakPolarHBondContact OH-CZ 3.29Å; Y50-W81 HydrophobicContact CD2-CD2 4.04Å; Y50-W81 AromaticContact CD2-CE2 3.68Å; Y50-W81 HydrophobicContact CD2-CG 4.33Å; Y50-W81 HydrophobicContact CD2-CZ2 4.07Å; Y50-W81 AromaticContact CD2-NE1 3.7Å; Y50-W81 HydrophobicContact CG-CD2 4.4Å; Y50-W81 HydrophobicContact CG-CZ2 4.29Å
51H86.2Confident79.6Confident124 Ų12462 Ų6257%0.57434%0.339SS*.EExtended strand (participates in β ladder)trans-113138.8171.5-66.7-74.5000109.3Q53H51-Q53 PolarHBondContact O-N 3.18Å
52A82.6Confident79.9Confident23 Ų2361.7 Ų61.719%0.1934%0.337CS..  trans-53.7134174.600000110.7K37 S54 Q57 I59K37-A52 PolarHBondContact O-N 3.04Å; A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.17Å; A52-Q57 HydrophobicContact CB-CB 4.2Å; A52-Q57 HydrophobicContact CB-CG 4.43Å; A52-I59 HydrophobicContact CB-CD1 4.4Å
53Q78.6Confident80.2Confident143 Ų14362.3 Ų62.367%0.66834%0.339SS*.SBendtrans-75.7-21.2-176.2-67.9-175.4-12.200112.5H51H51-Q53 PolarHBondContact O-N 3.18Å
54S75.1Confident80.6Confident59 Ų5961.3 Ų61.341%0.41333%0.332SS..SBendtrans-130.8155.517787.20000111.5A52 Q56 Q57A52-S54 VanDerWaalsContact C-N 3.3Å; A52-S54 PolarHBondContact O-N 3.17Å; S54-Q56 PolarHBondContact O-N 2.86Å; S54-Q56 PolarHBondContact OG-N 3.49Å; S54-Q57 PolarHBondContact O-N 3Å; S54-Q57 WeakPolarHBondContact OG-CB 3.25Å; S54-Q57 PolarHBondContact OG-N 3.09Å; S54-Q57 VanDerWaalsContact OG-N 3.16Å
55T66Low81.5Confident126 Ų12658 Ų5877%0.77331%0.306SS*.THydrogen-bonded Turntrans-68.9-16.4175.649.50000113.7
56Q71.6Confident82.3Confident164 Ų16454.5 Ų54.577%0.76629%0.294SS*.THydrogen-bonded Turntrans-91.1-13.6178.2-67.7-176.1-23.300112.9S54 E58S54-Q56 PolarHBondContact O-N 2.86Å; S54-Q56 PolarHBondContact OG-N 3.49Å; Q56-E58 PolarHBondContact O-N 3.49Å; Q56-E58 VanDerWaalsContact O-N 3.1Å
57Q79.2Confident82.7Confident7 Ų756.1 Ų56.13%0.03330%0.304CS..  trans-81.491.9-178.7-171.9-173.723.900109.4A52 S54 E77A52-Q57 HydrophobicContact CB-CB 4.2Å; A52-Q57 HydrophobicContact CB-CG 4.43Å; S54-Q57 PolarHBondContact O-N 3Å; S54-Q57 WeakPolarHBondContact OG-CB 3.25Å; S54-Q57 PolarHBondContact OG-N 3.09Å; S54-Q57 VanDerWaalsContact OG-N 3.16Å; Q57-E77 PolarHBondContact NE2-OE1 3.21Å
58E87.2Confident83.3Confident90 Ų9055.9 Ų55.942%0.42130%0.303SS..  trans-86.5114.1173.5-70-175.3-179.500109.9Q56 S74 S75Q56-E58 PolarHBondContact O-N 3.49Å; Q56-E58 VanDerWaalsContact O-N 3.1Å; E58-S74 CarbonylContact O-C 3.57Å; E58-S74 WeakPolarHBondContact O-CA 3.23Å; E58-S74 VanDerWaalsContact O-CB 3.22Å; E58-S74 WeakPolarHBondContact O-CB 3.27Å; E58-S75 PolarHBondContact O-N 3.39Å
59I89.9Confident83.6Confident3 Ų353.9 Ų53.92%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-77.1128.7-178.4-59.2174.5000109.1F35 E36 I39 Y50 A52 V72F35-I59 WeakPolarHBondContact O-CB 3.25Å; E36-I59 PolarHBondContact O-N 3.05Å; I39-I59 HydrophobicContact CD1-CD1 4.01Å; I39-I59 HydrophobicContact CD1-CG2 4.04Å; I39-I59 HydrophobicContact CG1-CD1 3.91Å; I39-I59 HydrophobicContact CG1-CG2 3.95Å; Y50-I59 HydrophobicContact CD1-CD1 4.01Å; Y50-I59 HydrophobicContact CE1-CD1 3.96Å; A52-I59 HydrophobicContact CB-CD1 4.4Å; I59-V72 HydrophobicContact CG2-CG1 4.37Å
60H89.7Confident83.8Confident73 Ų7352 Ų5234%0.33828%0.281SS..EExtended strand (participates in β ladder)trans-93.5-54.1177.5179.4-81.9000110.9R20 A73 L98R20-H60 VanDerWaalsContact CB-O 3.26Å; R20-H60 WeakPolarHBondContact CB-O 3.4Å; H60-A73 WeakPolarHBondContact CB-O 3.43Å; H60-A73 PolarHBondContact N-O 3.06Å; H60-L98 HydrophobicContact CB-CD2 3.93Å
61S91.7Very high84.1Confident1 Ų151.5 Ų51.51%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-159.4149.5-174.850.90000111.7F63 A73 I101S61-F63 WeakPolarHBondContact OG-CE2 3.37Å; S61-A73 PolarHBondContact N-O 2.86Å; S61-A73 PolarHBondContact O-N 2.94Å; S61-I101 WeakPolarHBondContact OG-CG2 3.23Å
62C91.9Very high84.4Confident0 Ų045.6 Ų45.60%025%0.252CS..EExtended strand (participates in β ladder)trans-123.3141171.8-173.30000109.1H21 S23 T32 S34 I39 L71H21-C62 PolarHBondContact ND1-O 3.46Å; S23-C62 PolarHBondContact OG-O 3.05Å; T32-C62 HydrophobicContact CG2-CB 3.96Å; S34-C62 VanDerWaalsContact OG-CB 3.27Å; S34-C62 WeakPolarHBondContact OG-CB 3.45Å; S34-C62 PolarHBondContact OG-N 3.35Å; I39-C62 HydrophobicContact CD1-CB 3.78Å; I39-C62 HydrophobicContact CG1-CB 4.11Å; I39-C62 HydrophobicContact CG2-CB 3.93Å; C62-L71 CarbonylContact C-O 3.59Å; C62-L71 VanDerWaalsContact CA-O 3.3Å; C62-L71 WeakPolarHBondContact CA-O 3.16Å
63F89.5Confident84.9Confident30 Ų3044.5 Ų44.513%0.13224%0.243CC..EExtended strand (participates in β ladder)trans-134143.9177.3-56.8-89.4000110.4H21 S61 Y70 L71 I101 I103H21-F63 AromaticContact CE1-CD1 3.63Å; H21-F63 AromaticContact CE1-CE1 3.17Å; H21-F63 WeakPolarHBondContact CE1-CE1 3.28Å; H21-F63 AromaticContact CE1-CZ 3.61Å; H21-F63 AromaticContact NE2-CE1 3.4Å; H21-F63 WeakPolarHBondContact NE2-CE1 3.44Å; H21-F63 AromaticContact NE2-CZ 3.73Å; S61-F63 WeakPolarHBondContact OG-CE2 3.37Å; F63-Y70 CarbonylContact O-C 3.4Å; F63-Y70 VanDerWaalsContact O-CA 3.28Å; F63-Y70 WeakPolarHBondContact O-CA 3.28Å; F63-L71 HydrophobicContact CD2-CD2 4.07Å; F63-L71 PolarHBondContact N-O 2.88Å; F63-L71 PolarHBondContact O-N 2.71Å; F63-I101 HydrophobicContact CE2-CG2 4.18Å; F63-I103 HydrophobicContact CB-CD1 3.32Å; F63-I103 HydrophobicContact CB-CG1 4.4Å; F63-I103 HydrophobicContact CD1-CD1 4.11Å; F63-I103 HydrophobicContact CD1-CG1 4.35Å; F63-I103 HydrophobicContact CD2-CD1 3.64Å; F63-I103 HydrophobicContact CD2-CG1 4.06Å; F63-I103 HydrophobicContact CE2-CD1 4.45Å; F63-I103 HydrophobicContact CE2-CG1 4.4Å; F63-I103 HydrophobicContact CG-CD1 3.44Å; F63-I103 VanDerWaalsContact CG-CD1 3.44Å; F63-I103 HydrophobicContact CG-CG1 4.03Å
64A85.8Confident85.5Confident8 Ų837.7 Ų37.77%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-80.5124.9170.500000109.6D25 P67 Y70D25-A64 HydrophobicContact CB-CB 3.71Å; A64-P67 HydrophobicContact CB-CG 4.38Å; A64-Y70 HydrophobicContact CB-CD1 3.95Å; A64-Y70 HydrophobicContact CB-CE1 3.76Å
65I82.8Confident86.1Confident32 Ų3236.6 Ų36.616%0.16420%0.203CC..EExtended strand (participates in β ladder)trans-96.7-55.4171.6-67.1-177000109.4V69 L71 L80I65-V69 PolarHBondContact N-O 3.43Å; I65-L71 HydrophobicContact CD1-CB 3.68Å; I65-L71 HydrophobicContact CD1-CD1 3.93Å; I65-L71 HydrophobicContact CD1-CG 4.45Å; I65-L71 HydrophobicContact CG1-CB 4.03Å; I65-L80 HydrophobicContact CD1-CD2 3.65Å
66S83.9Confident87.2Confident79 Ų7933.2 Ų33.255%0.55219%0.185SC*.EExtended strand (participates in β ladder)trans-154.192.3177.9-174.50000106.9V69S66-V69 CarbonylContact C-O 3.57Å; S66-V69 PolarHBondContact N-O 2.91Å; S66-V69 WeakPolarHBondContact O-CA 3.4Å; S66-V69 WeakPolarHBondContact O-CB 3.31Å; S66-V69 PolarHBondContact O-N 2.74Å
67P77.5Confident88.2Confident44 Ų4426.8 Ų26.829%0.28616%0.155SC..THydrogen-bonded Turntrans-49.7133-178-25.230000111D25 A64D25-P67 HydrophobicContact CB-CG 4.48Å; D25-P67 WeakPolarHBondContact OD2-CG 3.24Å; A64-P67 HydrophobicContact CB-CG 4.38Å
68P86Confident88.8Confident38 Ų3826.5 Ų26.525%0.24715%0.153CC..THydrogen-bonded Turncis-89.516.61437.6-40.4000116.2Y70 H82 S83 L84P68-Y70 VanDerWaalsContact O-CD2 3.27Å; P68-Y70 WeakPolarHBondContact O-CD2 3.39Å; P68-Y70 WeakPolarHBondContact O-CE2 3.42Å; P68-H82 WeakPolarHBondContact CG-CE1 3.4Å; P68-H82 WeakPolarHBondContact CG-NE2 3.3Å; P68-H82 WeakPolarHBondContact O-CA 3.32Å; P68-S83 WeakPolarHBondContact CB-OG 3.38Å; P68-S83 PolarHBondContact O-N 2.74Å; P68-S83 PolarHBondContact O-OG 3.26Å; P68-L84 HydrophobicContact CB-CD1 3.94Å; P68-L84 HydrophobicContact CB-CG 3.89Å; P68-L84 HydrophobicContact CG-CD1 3.94Å; P68-L84 HydrophobicContact CG-CG 4.35Å
69V88.3Confident89.1Confident33 Ų3322.2 Ų22.220%0.213%0.133CC..EExtended strand (participates in β ladder)trans-94.7128.5179.1-174.40000111.7I65 S66 L80 W81 Y89I65-V69 PolarHBondContact N-O 3.43Å; S66-V69 CarbonylContact C-O 3.57Å; S66-V69 PolarHBondContact N-O 2.91Å; S66-V69 WeakPolarHBondContact O-CA 3.4Å; S66-V69 WeakPolarHBondContact O-CB 3.31Å; S66-V69 PolarHBondContact O-N 2.74Å; V69-L80 HydrophobicContact CG1-CB 4.25Å; V69-W81 WeakPolarHBondContact CA-O 3.45Å; V69-Y89 HydrophobicContact CG2-CE2 4.22Å
70Y89.5Confident89.2Confident5 Ų522.7 Ų22.72%0.0214%0.136CC..EExtended strand (participates in β ladder)trans-124.7141.2-177.5-64.2-96.3000110.8T32 L41 F63 A64 P68 L80 W81T32-Y70 HydrophobicContact CG2-CD1 4.07Å; T32-Y70 HydrophobicContact CG2-CE1 4.15Å; L41-Y70 HydrophobicContact CD1-CD2 4.2Å; L41-Y70 HydrophobicContact CD1-CE1 4.45Å; L41-Y70 HydrophobicContact CD1-CE2 3.69Å; L41-Y70 HydrophobicContact CD2-CD1 3.97Å; L41-Y70 HydrophobicContact CD2-CE1 3.57Å; L41-Y70 HydrophobicContact CD2-CE2 4.29Å; L41-Y70 HydrophobicContact CD2-CG 4.48Å; F63-Y70 CarbonylContact O-C 3.4Å; F63-Y70 VanDerWaalsContact O-CA 3.28Å; F63-Y70 WeakPolarHBondContact O-CA 3.28Å; A64-Y70 HydrophobicContact CB-CD1 3.95Å; A64-Y70 HydrophobicContact CB-CE1 3.76Å; P68-Y70 VanDerWaalsContact O-CD2 3.27Å; P68-Y70 WeakPolarHBondContact O-CD2 3.39Å; P68-Y70 WeakPolarHBondContact O-CE2 3.42Å; Y70-L80 CarbonylContact O-C 3.58Å; Y70-L80 WeakPolarHBondContact O-CA 3.26Å; Y70-W81 HydrophobicContact CD2-CE3 4.34Å; Y70-W81 HydrophobicContact CD2-CZ3 4.45Å; Y70-W81 HydrophobicContact CG-CE3 4.42Å; Y70-W81 PolarHBondContact N-O 3.21Å; Y70-W81 PolarHBondContact O-N 3.16Å
71L92.5Very high89.3Confident0 Ų019.2 Ų19.20%012%0.12CC..EExtended strand (participates in β ladder)trans-88.9120.1169.8-176.3149.5000109.1C62 F63 I65 A73 I78 L80 I101 I103 T110 L126C62-L71 CarbonylContact C-O 3.59Å; C62-L71 VanDerWaalsContact CA-O 3.3Å; C62-L71 WeakPolarHBondContact CA-O 3.16Å; F63-L71 HydrophobicContact CD2-CD2 4.07Å; F63-L71 PolarHBondContact N-O 2.88Å; F63-L71 PolarHBondContact O-N 2.71Å; I65-L71 HydrophobicContact CD1-CB 3.68Å; I65-L71 HydrophobicContact CD1-CD1 3.93Å; I65-L71 HydrophobicContact CD1-CG 4.45Å; I65-L71 HydrophobicContact CG1-CB 4.03Å; L71-A73 HydrophobicContact CD2-CB 4.49Å; L71-I78 HydrophobicContact CD1-CG2 4.27Å; L71-I78 HydrophobicContact CD2-CG2 3.92Å; L71-I78 HydrophobicContact CG-CG2 4.02Å; L71-L80 HydrophobicContact CB-CD2 4.02Å; L71-L80 HydrophobicContact CD1-CD2 4.37Å; L71-L80 HydrophobicContact CG-CD2 4.35Å; L71-I101 HydrophobicContact CD2-CD1 3.83Å; L71-I103 HydrophobicContact CB-CD1 4.46Å; L71-I103 HydrophobicContact CD1-CD1 4.38Å; L71-I103 HydrophobicContact CD2-CD1 4.41Å; L71-T110 HydrophobicContact CD1-CG2 4.31Å; L71-L126 HydrophobicContact CD1-CD2 3.79Å
72V92.2Very high89.2Confident0 Ų020.3 Ų20.30%013%0.125CC..EExtended strand (participates in β ladder)trans-110.5124177.8-178.70000108.6I39 I59 I78 F79 W81I39-V72 HydrophobicContact CD1-CB 4.29Å; I39-V72 HydrophobicContact CD1-CG1 3.62Å; I39-V72 HydrophobicContact CD1-CG2 3.68Å; I59-V72 HydrophobicContact CG2-CG1 4.37Å; V72-I78 CarbonylContact O-C 3.51Å; V72-I78 WeakPolarHBondContact O-CA 3.47Å; V72-F79 HydrophobicContact CB-CD1 4.38Å; V72-F79 HydrophobicContact CB-CD2 4.09Å; V72-F79 HydrophobicContact CB-CE1 3.92Å; V72-F79 HydrophobicContact CB-CE2 3.62Å; V72-F79 HydrophobicContact CB-CG 4.45Å; V72-F79 HydrophobicContact CB-CZ 3.53Å; V72-F79 HydrophobicContact CG1-CE1 3.71Å; V72-F79 HydrophobicContact CG1-CE2 3.99Å; V72-F79 HydrophobicContact CG1-CZ 3.37Å; V72-F79 HydrophobicContact CG2-CE2 3.95Å; V72-F79 HydrophobicContact CG2-CZ 4.21Å; V72-F79 PolarHBondContact N-O 3.07Å; V72-F79 PolarHBondContact O-N 2.89Å; V72-W81 HydrophobicContact CG2-CB 3.95Å; V72-W81 HydrophobicContact CG2-CE3 4.25Å
73A93.3Very high88.8Confident0 Ų020.6 Ų20.60%013%0.127CC..EExtended strand (participates in β ladder)trans-110.3128.1174.700000109.7H60 S61 L71 I78 L98 I101H60-A73 WeakPolarHBondContact CB-O 3.43Å; H60-A73 PolarHBondContact N-O 3.06Å; S61-A73 PolarHBondContact N-O 2.86Å; S61-A73 PolarHBondContact O-N 2.94Å; L71-A73 HydrophobicContact CD2-CB 4.49Å; A73-I78 HydrophobicContact CB-CG1 4.24Å; A73-L98 HydrophobicContact CB-CD2 3.84Å; A73-I101 HydrophobicContact CB-CD1 3.59Å; A73-I101 HydrophobicContact CB-CG2 4.16Å
74S91.7Very high88.6Confident0 Ų024.6 Ų24.60%015%0.149CC..EExtended strand (participates in β ladder)trans-114.2175.1171.773.50000110.2E58 S76 E77 L98E58-S74 CarbonylContact O-C 3.57Å; E58-S74 WeakPolarHBondContact O-CA 3.23Å; E58-S74 VanDerWaalsContact O-CB 3.22Å; E58-S74 WeakPolarHBondContact O-CB 3.27Å; S74-S76 PolarHBondContact O-N 2.97Å; S74-S76 VanDerWaalsContact O-N 3.12Å; S74-S76 PolarHBondContact OG-N 3.45Å; S74-E77 PolarHBondContact N-O 2.83Å; S74-E77 WeakPolarHBondContact OG-CG 3.23Å; S74-E77 PolarHBondContact OG-N 3.29Å; S74-E77 PolarHBondContact OG-O 3.37Å; S74-L98 WeakPolarHBondContact O-CD2 3.15Å
75S88.3Confident88.5Confident36 Ų3628.8 Ų28.825%0.25217%0.17SC..SBendtrans-57.2-24.4177.658.10000114.5E58 E97 L98E58-S75 PolarHBondContact O-N 3.39Å; S75-E97 CarbonylContact O-C 3.59Å; S75-E97 VanDerWaalsContact O-CA 3.28Å; S75-E97 WeakPolarHBondContact O-CA 3.46Å; S75-L98 PolarHBondContact O-N 2.93Å
76S89.3Confident88.4Confident55 Ų5532.4 Ų32.439%0.38519%0.186SC..SBendtrans-129.2-10-173.854.20000115.4S74 L94S74-S76 PolarHBondContact O-N 2.97Å; S74-S76 VanDerWaalsContact O-N 3.12Å; S74-S76 PolarHBondContact OG-N 3.45Å; S76-L94 WeakPolarHBondContact O-CB 3.36Å; S76-L94 PolarHBondContact O-N 3.08Å
77E91.4Very high88.5Confident29 Ų2933.7 Ų33.714%0.13618%0.184CC..EExtended strand (participates in β ladder)trans-151.5150.5-175.754.3179.8-139.100111.3Q57 S74 F79 K91 L92Q57-E77 PolarHBondContact NE2-OE1 3.21Å; S74-E77 PolarHBondContact N-O 2.83Å; S74-E77 WeakPolarHBondContact OG-CG 3.23Å; S74-E77 PolarHBondContact OG-N 3.29Å; S74-E77 PolarHBondContact OG-O 3.37Å; E77-F79 HydrophobicContact CG-CD1 4.37Å; E77-K91 WeakPolarHBondContact OE2-CE 3.47Å; E77-K91 IonicContact OE2-NZ 2.81Å; E77-K91 PolarHBondContact OE2-NZ 2.92Å; E77-L92 WeakPolarHBondContact CA-O 3.21Å
78I93.3Very high88.9Confident0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-122.2133.1173.1-56.4173.1000107.8L71 V72 A73 K91 L92 L94 I101 V112 L122 L126L71-I78 HydrophobicContact CD1-CG2 4.27Å; L71-I78 HydrophobicContact CD2-CG2 3.92Å; L71-I78 HydrophobicContact CG-CG2 4.02Å; V72-I78 CarbonylContact O-C 3.51Å; V72-I78 WeakPolarHBondContact O-CA 3.47Å; A73-I78 HydrophobicContact CB-CG1 4.24Å; I78-K91 CarbonylContact O-C 3.55Å; I78-K91 WeakPolarHBondContact O-CA 3.24Å; I78-L92 PolarHBondContact N-O 3.28Å; I78-L92 PolarHBondContact O-N 2.9Å; I78-L94 HydrophobicContact CD1-CD1 4.34Å; I78-L94 HydrophobicContact CD1-CD2 4.19Å; I78-L94 HydrophobicContact CG1-CD1 4.24Å; I78-I101 HydrophobicContact CD1-CD1 4.05Å; I78-V112 HydrophobicContact CD1-CB 4.39Å; I78-V112 HydrophobicContact CD1-CG1 3.97Å; I78-V112 HydrophobicContact CD1-CG2 3.5Å; I78-V112 VanDerWaalsContact CD1-CG2 3.5Å; I78-L122 HydrophobicContact CD1-CD1 4.32Å; I78-L126 HydrophobicContact CG2-CD1 4.43Å; I78-L126 HydrophobicContact CG2-CD2 3.68Å
79F92.6Very high88.8Confident0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-148.5157.9-177.560.3-87.8000113.3Y50 V72 E77 W81 I88 E90 K91Y50-F79 HydrophobicContact CE1-CZ 4.22Å; Y50-F79 AromaticContact CZ-CZ 3.89Å; Y50-F79 WeakPolarHBondContact OH-CZ 3.29Å; V72-F79 HydrophobicContact CB-CD1 4.38Å; V72-F79 HydrophobicContact CB-CD2 4.09Å; V72-F79 HydrophobicContact CB-CE1 3.92Å; V72-F79 HydrophobicContact CB-CE2 3.62Å; V72-F79 HydrophobicContact CB-CG 4.45Å; V72-F79 HydrophobicContact CB-CZ 3.53Å; V72-F79 HydrophobicContact CG1-CE1 3.71Å; V72-F79 HydrophobicContact CG1-CE2 3.99Å; V72-F79 HydrophobicContact CG1-CZ 3.37Å; V72-F79 HydrophobicContact CG2-CE2 3.95Å; V72-F79 HydrophobicContact CG2-CZ 4.21Å; V72-F79 PolarHBondContact N-O 3.07Å; V72-F79 PolarHBondContact O-N 2.89Å; E77-F79 HydrophobicContact CG-CD1 4.37Å; F79-W81 HydrophobicContact CD2-CB 4.21Å; F79-W81 HydrophobicContact CE2-CB 4.05Å; F79-I88 HydrophobicContact CB-CG2 3.82Å; F79-I88 HydrophobicContact CD2-CD1 3.94Å; F79-I88 HydrophobicContact CD2-CG1 3.92Å; F79-I88 HydrophobicContact CD2-CG2 3.99Å; F79-I88 HydrophobicContact CE2-CD1 4.07Å; F79-I88 HydrophobicContact CE2-CG1 4.23Å; F79-I88 HydrophobicContact CG-CG2 4.24Å; F79-E90 CarbonylContact C-O 3.49Å; F79-E90 WeakPolarHBondContact CA-O 3.33Å; F79-E90 VanDerWaalsContact CB-O 3.25Å; F79-E90 WeakPolarHBondContact CB-O 3.41Å; F79-K91 HydrophobicContact CB-CB 4.17Å; F79-K91 HydrophobicContact CB-CG 4.14Å
80L92.7Very high88.9Confident13 Ų1340.5 Ų40.57%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-96.1117.2175.2-63.1-178.3000110.3I65 V69 Y70 L71 I88 Y89 E90 L126I65-L80 HydrophobicContact CD1-CD2 3.65Å; V69-L80 HydrophobicContact CG1-CB 4.25Å; Y70-L80 CarbonylContact O-C 3.58Å; Y70-L80 WeakPolarHBondContact O-CA 3.26Å; L71-L80 HydrophobicContact CB-CD2 4.02Å; L71-L80 HydrophobicContact CD1-CD2 4.37Å; L71-L80 HydrophobicContact CG-CD2 4.35Å; L80-I88 VanDerWaalsContact O-CA 3.3Å; L80-I88 WeakPolarHBondContact O-CA 3.33Å; L80-Y89 PolarHBondContact O-N 3.48Å; L80-E90 HydrophobicContact CD1-CB 4.3Å; L80-E90 PolarHBondContact N-O 2.91Å; L80-L126 HydrophobicContact CG-CD1 4.02Å; L80-L126 HydrophobicContact CG-CG 4.2Å
81W90.6Very high88.9Confident0 Ų045.2 Ų45.20%022%0.224CC..EExtended strand (participates in β ladder)trans-109.4128.2-177.817253000111.8L41 Y50 V69 Y70 V72 F79L41-W81 HydrophobicContact CD1-CH2 3.45Å; L41-W81 VanDerWaalsContact CD1-CH2 3.45Å; L41-W81 HydrophobicContact CD1-CZ3 3.52Å; L41-W81 HydrophobicContact CD2-CZ3 4.23Å; L41-W81 HydrophobicContact CG-CH2 3.99Å; L41-W81 HydrophobicContact CG-CZ3 3.91Å; Y50-W81 HydrophobicContact CD2-CD2 4.04Å; Y50-W81 AromaticContact CD2-CE2 3.68Å; Y50-W81 HydrophobicContact CD2-CG 4.33Å; Y50-W81 HydrophobicContact CD2-CZ2 4.07Å; Y50-W81 AromaticContact CD2-NE1 3.7Å; Y50-W81 HydrophobicContact CG-CD2 4.4Å; Y50-W81 HydrophobicContact CG-CZ2 4.29Å; V69-W81 WeakPolarHBondContact CA-O 3.45Å; Y70-W81 HydrophobicContact CD2-CE3 4.34Å; Y70-W81 HydrophobicContact CD2-CZ3 4.45Å; Y70-W81 HydrophobicContact CG-CE3 4.42Å; Y70-W81 PolarHBondContact N-O 3.21Å; Y70-W81 PolarHBondContact O-N 3.16Å; V72-W81 HydrophobicContact CG2-CB 3.95Å; V72-W81 HydrophobicContact CG2-CE3 4.25Å; F79-W81 HydrophobicContact CD2-CB 4.21Å; F79-W81 HydrophobicContact CE2-CB 4.05Å
82H89.3Confident88.8Confident24 Ų2447.4 Ų47.411%0.11124%0.235CC..EExtended strand (participates in β ladder)trans-94.4114.5172.9-167.4-75.4000110.8P68 L84 N85 H86 Q87 Y89P68-H82 WeakPolarHBondContact CG-CE1 3.4Å; P68-H82 WeakPolarHBondContact CG-NE2 3.3Å; P68-H82 WeakPolarHBondContact O-CA 3.32Å; H82-L84 PolarHBondContact ND1-N 3.39Å; H82-L84 PolarHBondContact O-N 3.4Å; H82-N85 PolarHBondContact ND1-N 3.17Å; H82-N85 PolarHBondContact O-N 2.68Å; H82-H86 WeakPolarHBondContact O-CA 3.42Å; H82-H86 PolarHBondContact O-N 3.47Å; H82-Q87 PolarHBondContact N-O 2.87Å; H82-Y89 HydrophobicContact CB-CD2 4.31Å; H82-Y89 HydrophobicContact CB-CE2 3.52Å; H82-Y89 AromaticContact CD2-CE2 3.62Å; H82-Y89 AromaticContact CD2-CZ 3.85Å; H82-Y89 PolarHBondContact CD2-OH 2.65Å; H82-Y89 AromaticContact CG-CE2 3.92Å
83S85.2Confident88.8Confident7 Ų752.5 Ų52.55%0.04926%0.263CS..THydrogen-bonded Turntrans-65.6-37.5-170.266.70000114.4P68P68-S83 WeakPolarHBondContact CB-OG 3.38Å; P68-S83 PolarHBondContact O-N 2.74Å; P68-S83 PolarHBondContact O-OG 3.26Å
84L83.7Confident88.5Confident114 Ų11453.7 Ų53.760%0.59727%0.269SS*.THydrogen-bonded Turntrans-74.2-30.9-175.7-58.9170.6000113.8P68 H82P68-L84 HydrophobicContact CB-CD1 3.94Å; P68-L84 HydrophobicContact CB-CG 3.89Å; P68-L84 HydrophobicContact CG-CD1 3.94Å; P68-L84 HydrophobicContact CG-CG 4.35Å; H82-L84 PolarHBondContact ND1-N 3.39Å; H82-L84 PolarHBondContact O-N 3.4Å
85N84.6Confident88.3Confident95 Ų9563.5 Ų63.551%0.50831%0.311SS..THydrogen-bonded Turntrans-110.1-3.8-172.7-63-0.2000111.7H82 Q87H82-N85 PolarHBondContact ND1-N 3.17Å; H82-N85 PolarHBondContact O-N 2.68Å; N85-Q87 HydrophobicContact CB-CG 4.29Å; N85-Q87 PolarHBondContact O-N 3.4Å; N85-Q87 VanDerWaalsContact O-N 3.12Å
86H81.6Confident88.4Confident108 Ų10864 Ų6450%0.531%0.313SS..THydrogen-bonded Turntrans51.428.2-173.3-61.6-86.8000114.6H82H82-H86 WeakPolarHBondContact O-CA 3.42Å; H82-H86 PolarHBondContact O-N 3.47Å
87Q84.9Confident88.5Confident107 Ų10766.5 Ų66.550%0.532%0.318SS..EExtended strand (participates in β ladder)trans-93.7147179.6-74.8-176.8-1900111.7H82 N85H82-Q87 PolarHBondContact N-O 2.87Å; N85-Q87 HydrophobicContact CB-CG 4.29Å; N85-Q87 PolarHBondContact O-N 3.4Å; N85-Q87 VanDerWaalsContact O-N 3.12Å
88I86.1Confident88.6Confident60 Ų6065.8 Ų65.831%0.30832%0.316SS..EExtended strand (participates in β ladder)trans-102.8122.1170.7-60.2173.9000107.3F79 L80F79-I88 HydrophobicContact CB-CG2 3.82Å; F79-I88 HydrophobicContact CD2-CD1 3.94Å; F79-I88 HydrophobicContact CD2-CG1 3.92Å; F79-I88 HydrophobicContact CD2-CG2 3.99Å; F79-I88 HydrophobicContact CE2-CD1 4.07Å; F79-I88 HydrophobicContact CE2-CG1 4.23Å; F79-I88 HydrophobicContact CG-CG2 4.24Å; L80-I88 VanDerWaalsContact O-CA 3.3Å; L80-I88 WeakPolarHBondContact O-CA 3.33Å
89Y84.1Confident88.6Confident120 Ų12069.3 Ų69.347%0.47133%0.331SS..EExtended strand (participates in β ladder)trans-88.5-47.7-177.9-71-64.3000113V69 L80 H82V69-Y89 HydrophobicContact CG2-CE2 4.22Å; L80-Y89 PolarHBondContact O-N 3.48Å; H82-Y89 HydrophobicContact CB-CD2 4.31Å; H82-Y89 HydrophobicContact CB-CE2 3.52Å; H82-Y89 AromaticContact CD2-CE2 3.62Å; H82-Y89 AromaticContact CD2-CZ 3.85Å; H82-Y89 PolarHBondContact CD2-OH 2.65Å; H82-Y89 AromaticContact CG-CE2 3.92Å
90E88.9Confident88.6Confident78 Ų7869.6 Ų69.636%0.36433%0.333SS..EExtended strand (participates in β ladder)trans-137.2149.8-178.1-76.4-174.5148.800109.6F79 L80 T125 L126F79-E90 CarbonylContact C-O 3.49Å; F79-E90 WeakPolarHBondContact CA-O 3.33Å; F79-E90 VanDerWaalsContact CB-O 3.25Å; F79-E90 WeakPolarHBondContact CB-O 3.41Å; L80-E90 HydrophobicContact CD1-CB 4.3Å; L80-E90 PolarHBondContact N-O 2.91Å; E90-T125 WeakPolarHBondContact OE2-CA 3.47Å; E90-T125 WeakPolarHBondContact OE2-CB 3.32Å; E90-L126 HydrophobicContact CB-CD1 4.21Å
91K90.3Very high88.8Confident104 Ų10469.7 Ų69.745%0.45233%0.334SS..EExtended strand (participates in β ladder)trans-145.4134.3-175.7-174.1-175.5-166.2-133.40109.5E77 I78 F79 D93E77-K91 WeakPolarHBondContact OE2-CE 3.47Å; E77-K91 IonicContact OE2-NZ 2.81Å; E77-K91 PolarHBondContact OE2-NZ 2.92Å; I78-K91 CarbonylContact O-C 3.55Å; I78-K91 WeakPolarHBondContact O-CA 3.24Å; F79-K91 HydrophobicContact CB-CB 4.17Å; F79-K91 HydrophobicContact CB-CG 4.14Å; K91-D93 VanDerWaalsContact CE-OD1 3.22Å; K91-D93 WeakPolarHBondContact CE-OD1 3.23Å; K91-D93 IonicContact NZ-OD1 2.78Å; K91-D93 PolarHBondContact NZ-OD1 3.2Å
92L91.6Very high88.9Confident45 Ų4570.9 Ų70.924%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-119.9113174.1-179.569.9000108.8E77 I78 L122 L126E77-L92 WeakPolarHBondContact CA-O 3.21Å; I78-L92 PolarHBondContact N-O 3.28Å; I78-L92 PolarHBondContact O-N 2.9Å; L92-L122 HydrophobicContact CD2-CD1 3.49Å; L92-L122 VanDerWaalsContact CD2-CD1 3.49Å; L92-L122 HydrophobicContact CD2-CD2 3.82Å; L92-L122 HydrophobicContact CD2-CG 4.32Å; L92-L126 HydrophobicContact CB-CD1 4.49Å
93D90.4Very high89.1Confident108 Ų10870.5 Ų70.558%0.57834%0.34SS*.EExtended strand (participates in β ladder)trans-82.5128.5174.8-64.7-36.7000110.2K91K91-D93 VanDerWaalsContact CE-OD1 3.22Å; K91-D93 WeakPolarHBondContact CE-OD1 3.23Å; K91-D93 IonicContact NZ-OD1 2.78Å; K91-D93 PolarHBondContact NZ-OD1 3.2Å
94L88.7Confident89.4Confident25 Ų2570.2 Ų70.213%0.13134%0.338CS..  trans-87.1137.2178.8-58.5173.2000110.1S76 I78 T96 L98 V112 T114S76-L94 WeakPolarHBondContact O-CB 3.36Å; S76-L94 PolarHBondContact O-N 3.08Å; I78-L94 HydrophobicContact CD1-CD1 4.34Å; I78-L94 HydrophobicContact CD1-CD2 4.19Å; I78-L94 HydrophobicContact CG1-CD1 4.24Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 VanDerWaalsContact CB-O 3.28Å; L94-T96 WeakPolarHBondContact CB-O 3.43Å; L94-L98 HydrophobicContact CD1-CB 3.81Å; L94-L98 HydrophobicContact CD1-CD1 4.07Å; L94-L98 HydrophobicContact CD1-CG 4.47Å; L94-V112 HydrophobicContact CD2-CG1 4.33Å; L94-T114 HydrophobicContact CD2-CG2 4.21Å
95K86Confident89.6Confident205 Ų20567.6 Ų67.689%0.89133%0.328SS*.SBendtrans-70.7-31.1179-67.8-178-178.7175.20112.9
96T90.7Very high89.7Confident46 Ų4667.8 Ų67.828%0.28233%0.329SS..SBendtrans-132.6167.9179.159.40000108.1L94 T114 G115 D116L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 VanDerWaalsContact CB-O 3.28Å; L94-T96 WeakPolarHBondContact CB-O 3.43Å; T96-T114 VanDerWaalsContact OG1-CB 3.31Å; T96-T114 WeakPolarHBondContact OG1-CB 3.39Å; T96-G115 PolarHBondContact OG1-N 2.84Å; T96-D116 HydrophobicContact CG2-CB 4.04Å; T96-D116 PolarHBondContact OG1-OD1 2.91Å
97E90.9Very high90Very high108 Ų10865.5 Ų65.551%0.50532%0.32SS..  trans-61.2146.8-176.363.7-179.3-176.400113S75 K99 T114 G115S75-E97 CarbonylContact O-C 3.59Å; S75-E97 VanDerWaalsContact O-CA 3.28Å; S75-E97 WeakPolarHBondContact O-CA 3.46Å; E97-K99 HydrophobicContact CG-CD 4.44Å; E97-K99 PolarHBondContact O-N 3.26Å; E97-K99 WeakPolarHBondContact OE1-CE 3.35Å; E97-K99 IonicContact OE1-NZ 2.78Å; E97-K99 PolarHBondContact OE1-NZ 3.23Å; E97-T114 CarbonylContact O-C 3.57Å; E97-T114 WeakPolarHBondContact O-CA 3.49Å; E97-G115 PolarHBondContact O-N 3.02Å
98L93.9Very high90.2Very high15 Ų1562.5 Ų62.58%0.07931%0.311CS..EExtended strand (participates in β ladder)trans-67.4126.3171.8-178.266000110.4H60 A73 S74 S75 L94 I101 V112H60-L98 HydrophobicContact CB-CD2 3.93Å; A73-L98 HydrophobicContact CB-CD2 3.84Å; S74-L98 WeakPolarHBondContact O-CD2 3.15Å; S75-L98 PolarHBondContact O-N 2.93Å; L94-L98 HydrophobicContact CD1-CB 3.81Å; L94-L98 HydrophobicContact CD1-CD1 4.07Å; L94-L98 HydrophobicContact CD1-CG 4.47Å; L98-I101 HydrophobicContact CD1-CB 4.29Å; L98-I101 HydrophobicContact CD2-CB 4.46Å; L98-I101 HydrophobicContact CD2-CG2 4.17Å; L98-V112 HydrophobicContact CD1-CG1 3.49Å; L98-V112 VanDerWaalsContact CD1-CG1 3.49Å
99K93Very high90.5Very high74 Ų7461.4 Ų61.432%0.32230%0.304SS..EExtended strand (participates in β ladder)trans-102.3-39175-69.8-58.4-161.1-174.80113.7E97 V113 F183E97-K99 HydrophobicContact CG-CD 4.44Å; E97-K99 PolarHBondContact O-N 3.26Å; E97-K99 WeakPolarHBondContact OE1-CE 3.35Å; E97-K99 IonicContact OE1-NZ 2.78Å; E97-K99 PolarHBondContact OE1-NZ 3.23Å; K99-V113 HydrophobicContact CB-CG1 4.5Å; K99-V113 WeakPolarHBondContact CB-O 3.42Å; K99-V113 PolarHBondContact N-O 3.18Å; K99-F183 HydrophobicContact CB-CB 4.14Å; K99-F183 HydrophobicContact CB-CD1 4.42Å; K99-F183 HydrophobicContact CB-CD2 4.03Å; K99-F183 HydrophobicContact CB-CG 3.95Å; K99-F183 HydrophobicContact CD-CD2 4.41Å; K99-F183 HydrophobicContact CG-CD2 4.31Å; K99-F183 HydrophobicContact CG-CE2 4.44Å
100A94.2Very high91Very high5 Ų555.7 Ų55.74%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-155.8150.6176.300000110.6V113 F183 I185A100-V113 HydrophobicContact CB-CB 4.33Å; A100-V113 HydrophobicContact CB-CG2 4.5Å; A100-V113 PolarHBondContact N-O 3.29Å; A100-V113 PolarHBondContact O-N 3.36Å; A100-F183 HydrophobicContact CB-CB 3.77Å; A100-I185 HydrophobicContact CB-CD1 3.65Å; A100-I185 HydrophobicContact CB-CG1 3.86Å
101I95.3Very high91.4Very high16 Ų1652 Ų528%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-143.9141.9173.9-174.2171.1000109.6S61 F63 L71 A73 I78 L98 T110 V111 V112S61-I101 WeakPolarHBondContact OG-CG2 3.23Å; F63-I101 HydrophobicContact CE2-CG2 4.18Å; L71-I101 HydrophobicContact CD2-CD1 3.83Å; A73-I101 HydrophobicContact CB-CD1 3.59Å; A73-I101 HydrophobicContact CB-CG2 4.16Å; I78-I101 HydrophobicContact CD1-CD1 4.05Å; L98-I101 HydrophobicContact CD1-CB 4.29Å; L98-I101 HydrophobicContact CD2-CB 4.46Å; L98-I101 HydrophobicContact CD2-CG2 4.17Å; I101-T110 HydrophobicContact CD1-CG2 3.77Å; I101-T110 HydrophobicContact CG1-CG2 3.73Å; I101-V111 WeakPolarHBondContact CA-O 3.42Å; I101-V112 HydrophobicContact CD1-CG2 4.15Å; I101-V112 HydrophobicContact CG1-CG2 4.09Å
102S94.1Very high91.6Very high24 Ų2447 Ų4717%0.16824%0.243CC..EExtended strand (participates in β ladder)trans-154.3145.2172-169.30000110.7V111 W187S102-V111 PolarHBondContact N-O 3.07Å; S102-V111 PolarHBondContact O-N 3.37Å; S102-W187 PolarHBondContact O-NE1 3.33Å; S102-W187 VanDerWaalsContact OG-CD1 3.25Å
103I92.2Very high91.8Very high17 Ų1744.9 Ų44.99%0.08723%0.232CC..EExtended strand (participates in β ladder)trans-103142.3-179.1-54.4-172.2000109.2F63 L71 L107 T110 W187F63-I103 HydrophobicContact CB-CD1 3.32Å; F63-I103 HydrophobicContact CB-CG1 4.4Å; F63-I103 HydrophobicContact CD1-CD1 4.11Å; F63-I103 HydrophobicContact CD1-CG1 4.35Å; F63-I103 HydrophobicContact CD2-CD1 3.64Å; F63-I103 HydrophobicContact CD2-CG1 4.06Å; F63-I103 HydrophobicContact CE2-CD1 4.45Å; F63-I103 HydrophobicContact CE2-CG1 4.4Å; F63-I103 HydrophobicContact CG-CD1 3.44Å; F63-I103 VanDerWaalsContact CG-CD1 3.44Å; F63-I103 HydrophobicContact CG-CG1 4.03Å; L71-I103 HydrophobicContact CB-CD1 4.46Å; L71-I103 HydrophobicContact CD1-CD1 4.38Å; L71-I103 HydrophobicContact CD2-CD1 4.41Å; I103-L107 HydrophobicContact CG2-CD2 3.91Å; I103-T110 HydrophobicContact CG1-CG2 4.22Å; I103-W187 VanDerWaalsContact C-NE1 3.31Å; I103-W187 PolarHBondContact O-NE1 2.88Å
104S91.8Very high92Very high1 Ų139.9 Ų39.91%0.00721%0.205CC..  trans-61.7151.117561.10000111.4D106 L107 S108 K109S104-D106 WeakPolarHBondContact CB-OD1 3.48Å; S104-D106 PolarHBondContact O-N 2.84Å; S104-D106 VanDerWaalsContact O-N 3.13Å; S104-D106 PolarHBondContact OG-OD1 3.39Å; S104-L107 WeakPolarHBondContact O-CA 3.37Å; S104-L107 PolarHBondContact O-N 3.36Å; S104-S108 PolarHBondContact OG-N 3.09Å; S104-K109 PolarHBondContact N-O 3.28Å; S104-K109 PolarHBondContact OG-N 2.89Å; S104-K109 PolarHBondContact OG-O 3.3Å
105P87.9Confident92.1Very high58 Ų5840.2 Ų40.238%0.37722%0.215SC..THydrogen-bonded Turntrans-60-25.6-177.5-25.434.9000114.7L107 W187 R188P105-L107 VanDerWaalsContact C-N 3.3Å; P105-W187 HydrophobicContact CG-CB 4.19Å; P105-R188 WeakPolarHBondContact CG-O 3.37Å
106D86.5Confident92.3Very high100 Ų10033.7 Ų33.754%0.53519%0.189SC..THydrogen-bonded Turntrans-87.54.2175.570.1-21.6000113.4S104 S108S104-D106 WeakPolarHBondContact CB-OD1 3.48Å; S104-D106 PolarHBondContact O-N 2.84Å; S104-D106 VanDerWaalsContact O-N 3.13Å; S104-D106 PolarHBondContact OG-OD1 3.39Å; D106-S108 PolarHBondContact O-N 3.47Å; D106-S108 VanDerWaalsContact O-N 3.1Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.15Å; D106-S108 WeakPolarHBondContact OD2-CB 3.46Å; D106-S108 PolarHBondContact OD2-OG 3.23Å
107L87.5Confident92.2Very high60 Ų6031.5 Ų31.531%0.31418%0.176SC..SBendtrans59.516.1-179.9-51175.8000114.8I103 S104 P105I103-L107 HydrophobicContact CG2-CD2 3.91Å; S104-L107 WeakPolarHBondContact O-CA 3.37Å; S104-L107 PolarHBondContact O-N 3.36Å; P105-L107 VanDerWaalsContact C-N 3.3Å
108S89.4Confident92.4Very high43 Ų4329.9 Ų29.930%0.30117%0.167SC..SBendtrans-88.6-26.9-174.873.30000113.9S104 D106 S124S104-S108 PolarHBondContact OG-N 3.09Å; D106-S108 PolarHBondContact O-N 3.47Å; D106-S108 VanDerWaalsContact O-N 3.1Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 3.15Å; D106-S108 WeakPolarHBondContact OD2-CB 3.46Å; D106-S108 PolarHBondContact OD2-OG 3.23Å; S108-S124 PolarHBondContact O-N 3.28Å; S108-S124 VanDerWaalsContact O-N 3.12Å
109K93.3Very high92.4Very high37 Ų3729.1 Ų29.116%0.16116%0.163CC..EExtended strand (participates in β ladder)trans-132.5142.6-175-64.6176-174.2-178.10111.4S104 I121 L122 I129 W187 D214S104-K109 PolarHBondContact N-O 3.28Å; S104-K109 PolarHBondContact OG-N 2.89Å; S104-K109 PolarHBondContact OG-O 3.3Å; K109-I121 HydrophobicContact CB-CG2 4.42Å; K109-I121 HydrophobicContact CD-CG2 4.4Å; K109-L122 CarbonylContact C-O 3.55Å; K109-L122 VanDerWaalsContact CA-O 3.29Å; K109-L122 WeakPolarHBondContact CA-O 3.48Å; K109-I129 HydrophobicContact CG-CD1 4.19Å; K109-W187 HydrophobicContact CB-CH2 4.16Å; K109-W187 HydrophobicContact CB-CZ2 4.5Å; K109-D214 HydrophobicContact CD-CB 4.32Å; K109-D214 PolarHBondContact NZ-O 3.1Å; K109-D214 IonicContact NZ-OD2 3.4Å; K109-D214 PolarHBondContact NZ-OD2 2.96Å
110T95Very high92.5Very high1 Ų127.4 Ų27.41%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-119123.5173.8-59.30000109.2L71 I101 I103 V112 L122L71-T110 HydrophobicContact CD1-CG2 4.31Å; I101-T110 HydrophobicContact CD1-CG2 3.77Å; I101-T110 HydrophobicContact CG1-CG2 3.73Å; I103-T110 HydrophobicContact CG1-CG2 4.22Å; T110-V112 HydrophobicContact CG2-CG2 4.05Å; T110-L122 PolarHBondContact N-O 2.97Å; T110-L122 PolarHBondContact O-N 3.4Å
111V96.4Very high92.6Very high0 Ų027.2 Ų27.20%016%0.155CC..EExtended strand (participates in β ladder)trans-98.3131.4174.2172.90000108.8I101 S102 I119 H120 I121 I185 W187 F194I101-V111 WeakPolarHBondContact CA-O 3.42Å; S102-V111 PolarHBondContact N-O 3.07Å; S102-V111 PolarHBondContact O-N 3.37Å; V111-I119 HydrophobicContact CG1-CG2 3.82Å; V111-H120 WeakPolarHBondContact CA-O 3.28Å; V111-I121 HydrophobicContact CG2-CG1 4.19Å; V111-I185 HydrophobicContact CB-CG2 4.47Å; V111-I185 HydrophobicContact CG1-CD1 4.01Å; V111-I185 HydrophobicContact CG1-CG2 4.28Å; V111-W187 HydrophobicContact CB-CZ2 4.05Å; V111-W187 HydrophobicContact CG2-CH2 3.71Å; V111-W187 HydrophobicContact CG2-CZ2 3.26Å; V111-F194 HydrophobicContact CG1-CD2 4.06Å; V111-F194 HydrophobicContact CG1-CE2 3.7Å; V111-F194 HydrophobicContact CG1-CZ 4.11Å; V111-F194 HydrophobicContact CG2-CD1 3.96Å; V111-F194 HydrophobicContact CG2-CD2 4.23Å; V111-F194 HydrophobicContact CG2-CE1 3.79Å; V111-F194 HydrophobicContact CG2-CE2 4.08Å; V111-F194 HydrophobicContact CG2-CG 4.16Å; V111-F194 HydrophobicContact CG2-CZ 3.84Å
112V95.9Very high92.6Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-127.4133.1-177.3178.20000109I78 L94 L98 I101 T110 T114 I119 H120 L122I78-V112 HydrophobicContact CD1-CB 4.39Å; I78-V112 HydrophobicContact CD1-CG1 3.97Å; I78-V112 HydrophobicContact CD1-CG2 3.5Å; I78-V112 VanDerWaalsContact CD1-CG2 3.5Å; L94-V112 HydrophobicContact CD2-CG1 4.33Å; L98-V112 HydrophobicContact CD1-CG1 3.49Å; L98-V112 VanDerWaalsContact CD1-CG1 3.49Å; I101-V112 HydrophobicContact CD1-CG2 4.15Å; I101-V112 HydrophobicContact CG1-CG2 4.09Å; T110-V112 HydrophobicContact CG2-CG2 4.05Å; V112-T114 HydrophobicContact CG1-CG2 4.28Å; V112-I119 CarbonylContact O-C 3.6Å; V112-I119 WeakPolarHBondContact O-CA 3.24Å; V112-H120 HydrophobicContact CB-CB 4.28Å; V112-H120 PolarHBondContact N-O 3.45Å; V112-H120 PolarHBondContact O-N 3.12Å; V112-L122 HydrophobicContact CG2-CD1 3.81Å; V112-L122 HydrophobicContact CG2-CG 4.41Å
113V95.5Very high92.6Very high0 Ų026.1 Ų26.10%015%0.149CC..EExtended strand (participates in β ladder)trans-113.5129.4170.3-172.40000109.4K99 A100 F118 I119 L134 F183 I185 V196K99-V113 HydrophobicContact CB-CG1 4.5Å; K99-V113 WeakPolarHBondContact CB-O 3.42Å; K99-V113 PolarHBondContact N-O 3.18Å; A100-V113 HydrophobicContact CB-CB 4.33Å; A100-V113 HydrophobicContact CB-CG2 4.5Å; A100-V113 PolarHBondContact N-O 3.29Å; A100-V113 PolarHBondContact O-N 3.36Å; V113-F118 WeakPolarHBondContact CA-O 3.1Å; V113-I119 HydrophobicContact CG2-CG1 4.12Å; V113-L134 HydrophobicContact CG1-CD2 4.5Å; V113-F183 HydrophobicContact CG1-CD1 3.81Å; V113-F183 HydrophobicContact CG1-CE1 4.16Å; V113-I185 HydrophobicContact CG2-CD1 4.01Å; V113-I185 HydrophobicContact CG2-CG1 4.24Å; V113-V196 HydrophobicContact CG2-CG1 4.24Å
114T94.4Very high92.3Very high3 Ų327.6 Ų27.62%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-104.3164.5-177.256.70000112.1L94 T96 E97 V112 D116 G117 F118L94-T114 HydrophobicContact CD2-CG2 4.21Å; T96-T114 VanDerWaalsContact OG1-CB 3.31Å; T96-T114 WeakPolarHBondContact OG1-CB 3.39Å; E97-T114 CarbonylContact O-C 3.57Å; E97-T114 WeakPolarHBondContact O-CA 3.49Å; V112-T114 HydrophobicContact CG1-CG2 4.28Å; T114-D116 VanDerWaalsContact CB-OD1 3.27Å; T114-D116 WeakPolarHBondContact CB-OD1 3.48Å; T114-D116 PolarHBondContact O-N 3.5Å; T114-D116 PolarHBondContact OG1-OD1 3.4Å; T114-G117 WeakPolarHBondContact O-CA 3.3Å; T114-G117 PolarHBondContact O-N 3.26Å; T114-F118 PolarHBondContact N-O 3.38Å; T114-F118 PolarHBondContact OG1-O 2.71Å
115G89.6Confident92.1Very high32 Ų3230.4 Ų30.433%0.3318%0.177SC..THydrogen-bonded Turntrans-64.3-20.7-172.600000115.5T96 E97 G117T96-G115 PolarHBondContact OG1-N 2.84Å; E97-G115 PolarHBondContact O-N 3.02Å; G115-G117 VanDerWaalsContact C-N 3.28Å
116D90.4Very high92.3Very high68 Ų6828.2 Ų28.236%0.36416%0.162SC..THydrogen-bonded Turntrans-83.40.4170.354.4-18.8000113.5T96 T114 F118T96-D116 HydrophobicContact CG2-CB 4.04Å; T96-D116 PolarHBondContact OG1-OD1 2.91Å; T114-D116 VanDerWaalsContact CB-OD1 3.27Å; T114-D116 WeakPolarHBondContact CB-OD1 3.48Å; T114-D116 PolarHBondContact O-N 3.5Å; T114-D116 PolarHBondContact OG1-OD1 3.4Å; D116-F118 HydrophobicContact CB-CD2 4.36Å; D116-F118 WeakPolarHBondContact OD2-CD2 3.38Å
117G89.3Confident92.5Very high0 Ų029.6 Ų29.60%017%0.166CC..SBendtrans75.329178.400000114.1T114 G115 L134T114-G117 WeakPolarHBondContact O-CA 3.3Å; T114-G117 PolarHBondContact O-N 3.26Å; G115-G117 VanDerWaalsContact C-N 3.28Å; G117-L134 WeakPolarHBondContact O-CB 3.39Å; G117-L134 PolarHBondContact O-N 2.67Å
118F94.2Very high92.7Very high73 Ų7330.5 Ų30.532%0.3217%0.174SC..EExtended strand (participates in β ladder)trans-88.7143.6166-82.3-89.8000110.7V113 T114 D116 N131 F132V113-F118 WeakPolarHBondContact CA-O 3.1Å; T114-F118 PolarHBondContact N-O 3.38Å; T114-F118 PolarHBondContact OG1-O 2.71Å; D116-F118 HydrophobicContact CB-CD2 4.36Å; D116-F118 WeakPolarHBondContact OD2-CD2 3.38Å; F118-N131 VanDerWaalsContact CD1-OD1 3.27Å; F118-N131 WeakPolarHBondContact CD1-OD1 3.45Å; F118-F132 WeakPolarHBondContact CD1-O 3.46Å
119I95.4Very high92.9Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-104.5123.5171.5-58.8168000107.7V111 V112 V113 N131 F132 L134 F194 V196 Y212V111-I119 HydrophobicContact CG1-CG2 3.82Å; V112-I119 CarbonylContact O-C 3.6Å; V112-I119 WeakPolarHBondContact O-CA 3.24Å; V113-I119 HydrophobicContact CG2-CG1 4.12Å; I119-N131 WeakPolarHBondContact O-CA 3.49Å; I119-N131 PolarHBondContact O-OD1 3.25Å; I119-F132 HydrophobicContact CB-CD2 4.1Å; I119-F132 HydrophobicContact CB-CE1 4.29Å; I119-F132 HydrophobicContact CB-CE2 3.65Å; I119-F132 HydrophobicContact CB-CZ 3.75Å; I119-F132 HydrophobicContact CD1-CD2 4.05Å; I119-F132 HydrophobicContact CD1-CE2 3.39Å; I119-F132 HydrophobicContact CD1-CZ 4.11Å; I119-F132 HydrophobicContact CG1-CE2 4.07Å; I119-F132 HydrophobicContact CG2-CE1 4.1Å; I119-F132 HydrophobicContact CG2-CE2 3.9Å; I119-F132 HydrophobicContact CG2-CZ 3.51Å; I119-F132 PolarHBondContact N-O 3.09Å; I119-F132 PolarHBondContact O-N 3.07Å; I119-F132 VanDerWaalsContact O-N 3.1Å; I119-L134 HydrophobicContact CD1-CB 4.31Å; I119-L134 HydrophobicContact CD1-CD1 3.74Å; I119-L134 HydrophobicContact CG1-CB 4.36Å; I119-L134 HydrophobicContact CG1-CD1 4.41Å; I119-F194 HydrophobicContact CG2-CE2 4.37Å; I119-F194 HydrophobicContact CG2-CZ 4.4Å; I119-V196 HydrophobicContact CD1-CG2 4.24Å; I119-Y212 HydrophobicContact CD1-CD2 4.24Å; I119-Y212 HydrophobicContact CD1-CE1 4.41Å; I119-Y212 HydrophobicContact CD1-CE2 3.58Å
120H95.2Very high92.9Very high38 Ų3832.2 Ų32.218%0.17618%0.182CC..EExtended strand (participates in β ladder)trans-108.6127.2172.1-58-87.6000109.7V111 V112 L122 N131V111-H120 WeakPolarHBondContact CA-O 3.28Å; V112-H120 HydrophobicContact CB-CB 4.28Å; V112-H120 PolarHBondContact N-O 3.45Å; V112-H120 PolarHBondContact O-N 3.12Å; H120-L122 HydrophobicContact CB-CD2 4.24Å; H120-N131 VanDerWaalsContact CE1-CG 3.41Å; H120-N131 PolarHBondContact CE1-ND2 3.38Å; H120-N131 PolarHBondContact CE1-OD1 3.24Å; H120-N131 PolarHBondContact ND1-OD1 3.32Å
121I95.9Very high92.8Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-99.7119.9167.5-52-171.1000107.3K109 V111 I129 S130 F132 F194K109-I121 HydrophobicContact CB-CG2 4.42Å; K109-I121 HydrophobicContact CD-CG2 4.4Å; V111-I121 HydrophobicContact CG2-CG1 4.19Å; I121-I129 HydrophobicContact CB-CB 4.45Å; I121-I129 HydrophobicContact CG2-CB 4.34Å; I121-I129 HydrophobicContact CG2-CD1 4.24Å; I121-I129 WeakPolarHBondContact O-CB 3.47Å; I121-I129 PolarHBondContact O-N 2.97Å; I121-S130 WeakPolarHBondContact CD1-OG 3.37Å; I121-S130 WeakPolarHBondContact CG1-OG 3.35Å; I121-S130 PolarHBondContact N-O 3.11Å; I121-S130 PolarHBondContact O-N 3.3Å; I121-F132 HydrophobicContact CD1-CE1 3.94Å; I121-F132 HydrophobicContact CD1-CZ 4.26Å; I121-F132 HydrophobicContact CG1-CE1 3.98Å; I121-F132 HydrophobicContact CG1-CZ 4.42Å; I121-F194 HydrophobicContact CD1-CE1 3.78Å; I121-F194 HydrophobicContact CD1-CZ 3.94Å; I121-F194 HydrophobicContact CG1-CZ 4.41Å
122L95Very high92.7Very high0 Ų037.5 Ų37.50%021%0.209CC..EExtended strand (participates in β ladder)trans-110.9149.3-178.4-51.1177000110.2I78 L92 K109 T110 V112 H120 L126 E127 T128I78-L122 HydrophobicContact CD1-CD1 4.32Å; L92-L122 HydrophobicContact CD2-CD1 3.49Å; L92-L122 VanDerWaalsContact CD2-CD1 3.49Å; L92-L122 HydrophobicContact CD2-CD2 3.82Å; L92-L122 HydrophobicContact CD2-CG 4.32Å; K109-L122 CarbonylContact C-O 3.55Å; K109-L122 VanDerWaalsContact CA-O 3.29Å; K109-L122 WeakPolarHBondContact CA-O 3.48Å; T110-L122 PolarHBondContact N-O 2.97Å; T110-L122 PolarHBondContact O-N 3.4Å; V112-L122 HydrophobicContact CG2-CD1 3.81Å; V112-L122 HydrophobicContact CG2-CG 4.41Å; H120-L122 HydrophobicContact CB-CD2 4.24Å; L122-L126 HydrophobicContact CD1-CD2 4.26Å; L122-E127 CarbonylContact C-O 3.47Å; L122-E127 VanDerWaalsContact CA-O 3.25Å; L122-E127 WeakPolarHBondContact CA-O 3.42Å; L122-T128 HydrophobicContact CD2-CG2 4.42Å
123S93Very high92.6Very high18 Ų1839.3 Ų39.313%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-71.8173.5166.372.60000111.3T125 L126 E127S123-T125 PolarHBondContact O-N 3.23Å; S123-T125 PolarHBondContact OG-N 3.48Å; S123-T125 PolarHBondContact OG-OG1 3.5Å; S123-L126 PolarHBondContact O-N 3.39Å; S123-E127 PolarHBondContact N-O 3.44Å; S123-E127 WeakPolarHBondContact OG-CB 3.5Å; S123-E127 PolarHBondContact OG-N 2.88Å; S123-E127 VanDerWaalsContact OG-N 3.1Å
124S87.3Confident92.4Very high47 Ų4739.3 Ų39.333%0.32922%0.222SC..THydrogen-bonded Turntrans-61.7-15.6170.456.60000114.1S108S108-S124 PolarHBondContact O-N 3.28Å; S108-S124 VanDerWaalsContact O-N 3.12Å
125T88.1Confident92.1Very high60 Ų6042.6 Ų42.637%0.36824%0.235SC..THydrogen-bonded Turntrans-105.827.2173.961.80000112.1E90 S123 E127E90-T125 WeakPolarHBondContact OE2-CA 3.47Å; E90-T125 WeakPolarHBondContact OE2-CB 3.32Å; S123-T125 PolarHBondContact O-N 3.23Å; S123-T125 PolarHBondContact OG-N 3.48Å; S123-T125 PolarHBondContact OG-OG1 3.5Å; T125-E127 PolarHBondContact O-N 2.87Å
126L90.7Very high92Very high12 Ų1246.2 Ų46.26%0.06324%0.243CC..SBendtrans57.215.5177.2-55.4179.6000115.7L71 I78 L80 E90 L92 L122 S123L71-L126 HydrophobicContact CD1-CD2 3.79Å; I78-L126 HydrophobicContact CG2-CD1 4.43Å; I78-L126 HydrophobicContact CG2-CD2 3.68Å; L80-L126 HydrophobicContact CG-CD1 4.02Å; L80-L126 HydrophobicContact CG-CG 4.2Å; E90-L126 HydrophobicContact CB-CD1 4.21Å; L92-L126 HydrophobicContact CB-CD1 4.49Å; L122-L126 HydrophobicContact CD1-CD2 4.26Å; S123-L126 PolarHBondContact O-N 3.39Å
127E91.8Very high91.4Very high130 Ų13051.7 Ų51.761%0.60727%0.266SS*.  trans-77132.1174.1-63.7-175.8161.500109.7L122 S123 T125 I129L122-E127 CarbonylContact C-O 3.47Å; L122-E127 VanDerWaalsContact CA-O 3.25Å; L122-E127 WeakPolarHBondContact CA-O 3.42Å; S123-E127 PolarHBondContact N-O 3.44Å; S123-E127 WeakPolarHBondContact OG-CB 3.5Å; S123-E127 PolarHBondContact OG-N 2.88Å; S123-E127 VanDerWaalsContact OG-N 3.1Å; T125-E127 PolarHBondContact O-N 2.87Å; E127-I129 PolarHBondContact O-N 3.35Å
128T91.7Very high91.2Very high79 Ų7953.6 Ų53.649%0.48529%0.286SS..EExtended strand (participates in β ladder)trans-73.5114.9179.3-52.80000111L122 N131L122-T128 HydrophobicContact CD2-CG2 4.42Å; T128-N131 HydrophobicContact CG2-CB 4.4Å
129I93.1Very high90.7Very high90 Ų9053.8 Ų53.846%0.46229%0.287SS..EExtended strand (participates in β ladder)trans-80.8-50.3175.8-58.8174.7000110K109 I121 E127K109-I129 HydrophobicContact CG-CD1 4.19Å; I121-I129 HydrophobicContact CB-CB 4.45Å; I121-I129 HydrophobicContact CG2-CB 4.34Å; I121-I129 HydrophobicContact CG2-CD1 4.24Å; I121-I129 WeakPolarHBondContact O-CB 3.47Å; I121-I129 PolarHBondContact O-N 2.97Å; E127-I129 PolarHBondContact O-N 3.35Å
130S93.9Very high90.3Very high25 Ų2554.9 Ų54.918%0.17530%0.298CS..EExtended strand (participates in β ladder)trans-148.8155.8177.763.70000111.6I121 T215I121-S130 WeakPolarHBondContact CD1-OG 3.37Å; I121-S130 WeakPolarHBondContact CG1-OG 3.35Å; I121-S130 PolarHBondContact N-O 3.11Å; I121-S130 PolarHBondContact O-N 3.3Å; S130-T215 WeakPolarHBondContact CB-O 3.47Å; S130-T215 PolarHBondContact OG-O 3.44Å
131N93Very high89.9Confident84 Ų8457.6 Ų57.645%0.44932%0.321SS..EExtended strand (participates in β ladder)trans-143.9125.6178.1178.719.8000109.4F118 I119 H120 T128F118-N131 VanDerWaalsContact CD1-OD1 3.27Å; F118-N131 WeakPolarHBondContact CD1-OD1 3.45Å; I119-N131 WeakPolarHBondContact O-CA 3.49Å; I119-N131 PolarHBondContact O-OD1 3.25Å; H120-N131 VanDerWaalsContact CE1-CG 3.41Å; H120-N131 PolarHBondContact CE1-ND2 3.38Å; H120-N131 PolarHBondContact CE1-OD1 3.24Å; H120-N131 PolarHBondContact ND1-OD1 3.32Å; T128-N131 HydrophobicContact CG2-CB 4.4Å
132F94.4Very high89.1Confident28 Ų2858.7 Ų58.712%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-151.5163.2-175.751.5-84000111.1F118 I119 I121 F194 Y212 G216F118-F132 WeakPolarHBondContact CD1-O 3.46Å; I119-F132 HydrophobicContact CB-CD2 4.1Å; I119-F132 HydrophobicContact CB-CE1 4.29Å; I119-F132 HydrophobicContact CB-CE2 3.65Å; I119-F132 HydrophobicContact CB-CZ 3.75Å; I119-F132 HydrophobicContact CD1-CD2 4.05Å; I119-F132 HydrophobicContact CD1-CE2 3.39Å; I119-F132 HydrophobicContact CD1-CZ 4.11Å; I119-F132 HydrophobicContact CG1-CE2 4.07Å; I119-F132 HydrophobicContact CG2-CE1 4.1Å; I119-F132 HydrophobicContact CG2-CE2 3.9Å; I119-F132 HydrophobicContact CG2-CZ 3.51Å; I119-F132 PolarHBondContact N-O 3.09Å; I119-F132 PolarHBondContact O-N 3.07Å; I119-F132 VanDerWaalsContact O-N 3.1Å; I121-F132 HydrophobicContact CD1-CE1 3.94Å; I121-F132 HydrophobicContact CD1-CZ 4.26Å; I121-F132 HydrophobicContact CG1-CE1 3.98Å; I121-F132 HydrophobicContact CG1-CZ 4.42Å; F132-F194 HydrophobicContact CZ-CZ 4.15Å; F132-Y212 HydrophobicContact CD2-CD1 4.35Å; F132-Y212 AromaticContact CD2-CE1 3.98Å; F132-Y212 HydrophobicContact CD2-CE1 3.98Å; F132-Y212 AromaticContact CE2-CD1 3.53Å; F132-Y212 HydrophobicContact CE2-CD1 3.53Å; F132-Y212 AromaticContact CE2-CE1 3.45Å; F132-Y212 HydrophobicContact CE2-CE1 3.45Å; F132-Y212 VanDerWaalsContact CE2-CE1 3.45Å; F132-Y212 HydrophobicContact CE2-CE2 4.46Å; F132-Y212 HydrophobicContact CE2-CG 4.1Å; F132-Y212 AromaticContact CE2-CZ 3.95Å; F132-Y212 HydrophobicContact CZ-CD1 4.11Å; F132-Y212 HydrophobicContact CZ-CE1 4.45Å; F132-Y212 HydrophobicContact CZ-CG 4.4Å; F132-G216 VanDerWaalsContact CZ-CA 3.41Å
133S92.5Very high87.7Confident38 Ų3864 Ų6427%0.26636%0.358SS..EExtended strand (participates in β ladder)trans-88.9133.8-176-174.40000111.8Y135 E136S133-Y135 PolarHBondContact O-N 3.44Å; S133-Y135 PolarHBondContact OG-N 3.09Å; S133-E136 PolarHBondContact O-N 3.08Å
134L91Very high86.1Confident0 Ų064.6 Ų64.60%036%0.361CS..THydrogen-bonded Turntrans-63.7-21.5171.2-174.566.2000112.6V113 G117 I119 F183 V196 W198 R210 Y212V113-L134 HydrophobicContact CG1-CD2 4.5Å; G117-L134 WeakPolarHBondContact O-CB 3.39Å; G117-L134 PolarHBondContact O-N 2.67Å; I119-L134 HydrophobicContact CD1-CB 4.31Å; I119-L134 HydrophobicContact CD1-CD1 3.74Å; I119-L134 HydrophobicContact CG1-CB 4.36Å; I119-L134 HydrophobicContact CG1-CD1 4.41Å; L134-F183 HydrophobicContact CD2-CD1 4.1Å; L134-F183 HydrophobicContact CD2-CE1 3.58Å; L134-V196 HydrophobicContact CD1-CB 4.21Å; L134-V196 HydrophobicContact CD1-CG1 3.83Å; L134-W198 HydrophobicContact CD1-CD2 4.04Å; L134-W198 HydrophobicContact CD1-CE3 3.73Å; L134-W198 HydrophobicContact CD1-CH2 3.96Å; L134-W198 HydrophobicContact CD1-CZ2 4.2Å; L134-W198 HydrophobicContact CD1-CZ3 3.7Å; L134-W198 HydrophobicContact CD2-CB 4.24Å; L134-W198 HydrophobicContact CD2-CD2 3.52Å; L134-W198 HydrophobicContact CD2-CE3 4.03Å; L134-W198 HydrophobicContact CD2-CG 3.59Å; L134-W198 HydrophobicContact CD2-CZ2 4.4Å; L134-W198 HydrophobicContact CG-CD2 3.86Å; L134-W198 HydrophobicContact CG-CE3 4.1Å; L134-W198 HydrophobicContact CG-CG 4.42Å; L134-W198 HydrophobicContact CG-CH2 4.19Å; L134-W198 HydrophobicContact CG-CZ2 3.9Å; L134-W198 HydrophobicContact CG-CZ3 4.26Å; L134-R210 PolarHBondContact O-NH1 3.24Å; L134-Y212 HydrophobicContact CD1-CE2 4.46Å
135Y89.4Confident84.5Confident73 Ų7367.2 Ų67.229%0.28638%0.375SS..THydrogen-bonded Turntrans-9612.5-176.1-54-67.4000114S133 E137 W198 P201S133-Y135 PolarHBondContact O-N 3.44Å; S133-Y135 PolarHBondContact OG-N 3.09Å; Y135-E137 PolarHBondContact O-N 3.47Å; Y135-W198 AromaticContact CE1-NE1 3.79Å; Y135-P201 HydrophobicContact CE1-CG 4.37Å
136E85.8Confident82.9Confident108 Ų10867.6 Ų67.651%0.50538%0.38SS..  trans-55.4139.1176.2-172176.1-175.200111.3S133 R210S133-E136 PolarHBondContact O-N 3.08Å; E136-R210 PolarHBondContact O-NH1 3.19Å; E136-R210 PolarHBondContact O-NH2 3.48Å
137E79.8Confident80.9Confident183 Ų18373.7 Ų73.786%0.85541%0.412SS*.SBendtrans-76.6136.4177.4-69.1-171.5174.200111.1Y135Y135-E137 PolarHBondContact O-N 3.47Å
138G83.6Confident78.9Confident40 Ų4068.3 Ų68.341%0.41239%0.391SS..SBendtrans131.3163.9178.500000113.6R210G138-R210 PolarHBondContact O-NH2 2.97Å
139F84.7Confident76.7Confident77 Ų7776 Ų7634%0.33841%0.411SS..  trans-99.5-7.4177.8-86.1-93.3000113.4L143 P144 S220 T221F139-L143 HydrophobicContact CB-CD2 3.89Å; F139-P144 HydrophobicContact CD1-CG 4.29Å; F139-S220 CarbonylContact O-C 3.37Å; F139-S220 WeakPolarHBondContact O-CA 3.42Å; F139-T221 HydrophobicContact CD1-CG2 4.5Å; F139-T221 WeakPolarHBondContact CD1-O 3.15Å; F139-T221 PolarHBondContact O-N 2.96Å; F139-T221 PolarHBondContact O-OG1 3.31Å
140G87.1Confident74.6Confident22 Ų2273.8 Ų73.823%0.22741%0.411CS..  trans94.7177.9-176.600000114.2L218 F219G140-L218 VanDerWaalsContact CA-O 3.26Å; G140-L218 WeakPolarHBondContact CA-O 3.21Å; G140-F219 CarbonylContact C-O 3.56Å
141S86.2Confident72.5Confident96 Ų9677.4 Ų77.467%0.67142%0.424SS*.SBendtrans-71-30.8-175.9570000113.9L143 L218 F219S141-L143 VanDerWaalsContact C-N 3.34Å; S141-L143 PolarHBondContact O-N 3.41Å; S141-L218 PolarHBondContact N-O 2.93Å; S141-L218 VanDerWaalsContact N-O 3.16Å; S141-F219 PolarHBondContact N-O 3.23Å; S141-F219 VanDerWaalsContact N-O 3.12Å
142A80Confident70.5Confident22 Ų2279.6 Ų79.618%0.18243%0.429CS..SBendtrans-92.964.2174.600000110.7F219A142-F219 HydrophobicContact CB-CD1 4.1Å; A142-F219 HydrophobicContact CB-CD2 4.05Å; A142-F219 HydrophobicContact CB-CE1 3.71Å; A142-F219 HydrophobicContact CB-CE2 3.68Å; A142-F219 HydrophobicContact CB-CG 4.26Å; A142-F219 HydrophobicContact CB-CZ 3.49Å; A142-F219 VanDerWaalsContact CB-CZ 3.49Å; A142-F219 WeakPolarHBondContact CB-O 3.3Å; A142-F219 PolarHBondContact N-O 2.89Å
143L64.4Low68.4Low113 Ų11386.4 Ų86.459%0.59246%0.461SS*.  trans-49.2133177-78.7160.4000110.6F139 S141 V145F139-L143 HydrophobicContact CB-CD2 3.89Å; S141-L143 VanDerWaalsContact C-N 3.34Å; S141-L143 PolarHBondContact O-N 3.41Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 3.22Å
144P59Low66.5Low30 Ų3088.6 Ų88.620%0.19547%0.473CS..  trans-64.895.4172.623.7-30000108.9F139 S146 Q262F139-P144 HydrophobicContact CD1-CG 4.29Å; P144-S146 PolarHBondContact O-N 3.45Å; P144-Q262 HydrophobicContact CB-CG 4.31Å
145V54.8Low65Low101 Ų10193.9 Ų93.961%0.61250%0.498SS*.  trans-75.284.1173-174.90000107.5L143 L147L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 3.22Å; V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 HydrophobicContact CG1-CD2 4.32Å; V145-L147 HydrophobicContact CG1-CG 4.29Å; V145-L147 PolarHBondContact O-N 2.88Å
146S53.8Low63.1Low68 Ų68101 Ų10148%0.47653%0.531SS..  trans-64.996.3164.1173.60000107.8P144 G148P144-S146 PolarHBondContact O-N 3.45Å; S146-G148 PolarHBondContact O-N 3.49Å
147L49.1Very low61.6Low141 Ų14198.8 Ų98.874%0.73852%0.52SS*.  trans-62.63.4173.9-77.4167.2000113.1V145 W149V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 HydrophobicContact CG1-CD2 4.32Å; V145-L147 HydrophobicContact CG1-CG 4.29Å; V145-L147 PolarHBondContact O-N 2.88Å; L147-W149 VanDerWaalsContact O-CD1 3.27Å; L147-W149 PolarHBondContact O-N 3.39Å; L147-W149 VanDerWaalsContact O-N 3.12Å
148G50Low60.6Low16 Ų1692.7 Ų92.717%0.16551%0.507CS..SBendtrans73.8-6-178.400000114.3S146 G150 K151 T154S146-G148 PolarHBondContact O-N 3.49Å; G148-G150 PolarHBondContact O-N 3.48Å; G148-K151 PolarHBondContact O-N 2.95Å; G148-T154 PolarHBondContact O-OG1 3.18Å; G148-T154 VanDerWaalsContact O-OG1 3.05Å
149W45.1Very low59.4Low240 Ų24095.8 Ų95.891%0.90952%0.522SS*.THydrogen-bonded Turntrans-69.7111.1173.6-72.571.5000109.2L147L147-W149 VanDerWaalsContact O-CD1 3.27Å; L147-W149 PolarHBondContact O-N 3.39Å; L147-W149 VanDerWaalsContact O-N 3.12Å
150G48.5Very low58Low44 Ų44100.1 Ų100.145%0.45454%0.543SS..THydrogen-bonded Turntrans103-3.5-176.500000114.6G148 T154G148-G150 PolarHBondContact O-N 3.48Å; G150-T154 PolarHBondContact N-OG1 3.08Å; G150-T154 VanDerWaalsContact N-OG1 3.17Å
151K50.2Low56.5Low102 Ų102100.4 Ų100.444%0.44355%0.546SS..SBendtrans-59.6145.8164.5-73.7-175.3178.6-178.70109G148 E153 T154G148-K151 PolarHBondContact O-N 2.95Å; K151-E153 PolarHBondContact O-N 3.12Å; K151-T154 PolarHBondContact N-OG1 3.01Å; K151-T154 PolarHBondContact O-N 3.09Å; K151-T154 PolarHBondContact O-OG1 3.28Å
152K51.8Low55Low130 Ų130102.6 Ų102.657%0.56554%0.543SS*.THydrogen-bonded Turntrans-47.9-27.2179.7-144.1177.9-171.2-176.10113.4A165K152-A165 PolarHBondContact NZ-O 3.23Å
153E49.9Very low53.8Low170 Ų170109 Ų10979%0.79457%0.569SS**THydrogen-bonded Turntrans-74.4-21.3177.5-61.9148.2-155.300114.4K151K151-E153 PolarHBondContact O-N 3.12Å
154T52.7Low53.3Low84 Ų84107.1 Ų107.152%0.51557%0.57SS.*THydrogen-bonded Turntrans-112.1-3.2-170.661.30000114.1G148 G150 K151G148-T154 PolarHBondContact O-OG1 3.18Å; G148-T154 VanDerWaalsContact O-OG1 3.05Å; G150-T154 PolarHBondContact N-OG1 3.08Å; G150-T154 VanDerWaalsContact N-OG1 3.17Å; K151-T154 PolarHBondContact N-OG1 3.01Å; K151-T154 PolarHBondContact O-N 3.09Å; K151-T154 PolarHBondContact O-OG1 3.28Å
155Q58.6Low53Low111 Ų111107.1 Ų107.152%0.51957%0.573SS.*SBendtrans-98.7131.7176.5-72.5-172.8-3.600111.4H157Q155-H157 PolarHBondContact O-N 3.07Å; Q155-H157 PolarHBondContact OE1-CE1 3.36Å
156F50.3Low52.8Low222 Ų222109.5 Ų109.597%0.97458%0.581SS**  trans-68.3112.9171.1-104.5-98.9000109.5
157H54Low52.5Low63 Ų63109.8 Ų109.829%0.29259%0.588SS.*  trans-106.1128.4173.9-68.87.2000110.7Q155 K162Q155-H157 PolarHBondContact O-N 3.07Å; Q155-H157 PolarHBondContact OE1-CE1 3.36Å; H157-K162 HydrophobicContact CB-CG 4.44Å
158G59.8Low52.2Low55 Ų55112.1 Ų112.157%0.56759%0.592SS**  trans-64.3171.5165.400000111.9E160 G161 K162G158-E160 VanDerWaalsContact C-N 3.32Å; G158-E160 PolarHBondContact O-N 2.75Å; G158-G161 WeakPolarHBondContact O-CA 3.33Å; G158-G161 PolarHBondContact O-N 3.13Å; G158-K162 PolarHBondContact O-N 2.81Å
159S57.9Low52Low104 Ų104117.2 Ų117.273%0.72762%0.622SS**Hα-helixtrans-55.5-38-17240.40000114.7K162S159-K162 PolarHBondContact O-N 2.87Å
160E55.2Low52.1Low169 Ų169112.7 Ų112.779%0.7961%0.614SS**Hα-helixtrans-68.3-34.3174.4-73.5179.5153.400112.9G158 K162 E163 A164G158-E160 VanDerWaalsContact C-N 3.32Å; G158-E160 PolarHBondContact O-N 2.75Å; E160-K162 VanDerWaalsContact C-N 3.26Å; E160-K162 PolarHBondContact O-N 3.36Å; E160-E163 PolarHBondContact O-N 3.07Å; E160-A164 PolarHBondContact O-N 2.98Å
161G56Low52.2Low27 Ų27117.5 Ų117.528%0.27863%0.629SS.*Hα-helixtrans-69.4-22.1177.300000113.5G158 A165G158-G161 WeakPolarHBondContact O-CA 3.33Å; G158-G161 PolarHBondContact O-N 3.13Å; G161-A165 WeakPolarHBondContact O-CB 3.41Å; G161-A165 PolarHBondContact O-N 3.11Å
162K54.2Low52.2Low143 Ų143116.3 Ų116.362%0.62263%0.631SS**Hα-helixtrans-77.5-33.3174.9-76.1-176.2178179.30113.1H157 G158 S159 E160 A165H157-K162 HydrophobicContact CB-CG 4.44Å; G158-K162 PolarHBondContact O-N 2.81Å; S159-K162 PolarHBondContact O-N 2.87Å; E160-K162 VanDerWaalsContact C-N 3.26Å; E160-K162 PolarHBondContact O-N 3.36Å; K162-A165 WeakPolarHBondContact O-CB 3.39Å; K162-A165 PolarHBondContact O-N 3.22Å
163E55.1Low52.3Low155 Ų155113 Ų11372%0.72462%0.622SS**Hα-helixtrans-74.8-40.3176.1-77.7-175.3160.400111.8E160 A165 L166E160-E163 PolarHBondContact O-N 3.07Å; E163-A165 PolarHBondContact O-N 2.92Å; E163-L166 PolarHBondContact O-N 2.97Å
164A54.2Low52.5Low74 Ų74108.6 Ų108.661%0.61261%0.61SS**Hα-helixtrans-62-28.1171.100000112.5E160 L166 A167E160-A164 PolarHBondContact O-N 2.98Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 3.45Å; A164-A167 PolarHBondContact O-N 3.34Å
165A50.9Low52.8Low31 Ų31104.9 Ų104.926%0.25659%0.587SS.*THydrogen-bonded Turntrans-71-18.8177.700000114.5K152 G161 K162 E163K152-A165 PolarHBondContact NZ-O 3.23Å; G161-A165 WeakPolarHBondContact O-CB 3.41Å; G161-A165 PolarHBondContact O-N 3.11Å; K162-A165 WeakPolarHBondContact O-CB 3.39Å; K162-A165 PolarHBondContact O-N 3.22Å; E163-A165 PolarHBondContact O-N 2.92Å
166L51.2Low53.1Low150 Ų150105.1 Ų105.179%0.78559%0.591SS**THydrogen-bonded Turntrans-89.6-2178.6-77.2163.2000113.8E163 A164 K168E163-L166 PolarHBondContact O-N 2.97Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 3.45Å; L166-K168 PolarHBondContact O-N 3.48Å
167A48.4Very low54.2Low75 Ų75101.5 Ų101.562%0.6258%0.577SS**SBendtrans-61.8127.4173.300000110.5A164A164-A167 PolarHBondContact O-N 3.34Å
168K42.2Very low55.3Low190 Ų190100.5 Ų100.583%0.82657%0.571SS**PPolyproline II helixtrans-52.2147.8-178.5-76.7176.2176.5176.30111.5L166 I170L166-K168 PolarHBondContact O-N 3.48Å; K168-I170 PolarHBondContact O-N 2.89Å
169P45.3Very low56.5Low122 Ų12298.6 Ų98.679%0.79255%0.548SS*.PPolyproline II helixtrans-57.4124.917126-32.7000108.8L171P169-L171 PolarHBondContact O-N 2.67Å
170I48.5Very low57.8Low146 Ų14697.4 Ų97.475%0.74953%0.533SS*.PPolyproline II helixtrans-58.1126.4175.3-63160.6000107K168K168-I170 PolarHBondContact O-N 2.89Å
171L50.2Low59.3Low145 Ų14590.7 Ų90.776%0.75951%0.509SS*.PPolyproline II helixtrans-55.3139.7175.1-74161.2000109.2P169 V173P169-L171 PolarHBondContact O-N 2.67Å; L171-V173 PolarHBondContact O-N 3.41Å
172P50.5Low61Low76 Ų7692.1 Ų92.149%0.49451%0.506SS..  trans-60.3112.6178.723.4-30.9000109.5
173V53.8Low62.9Low62 Ų6286.8 Ų86.838%0.37648%0.483SS..  trans-78.5128171.2-176.70000106.8L171 N175 M227L171-V173 PolarHBondContact O-N 3.41Å; V173-N175 PolarHBondContact O-N 3.24Å; V173-M227 HydrophobicContact CB-CE 3.92Å; V173-M227 HydrophobicContact CG1-CE 4.1Å; V173-M227 HydrophobicContact CG1-SD 4.43Å; V173-M227 WeakPolarHBondContact O-CE 3.4Å
174S53.6Low64.8Low77 Ų7780.6 Ų80.654%0.53845%0.454SS..  trans-70126.4176.566.50000109.7I176S174-I176 PolarHBondContact O-N 2.91Å; S174-I176 VanDerWaalsContact O-N 3.08Å
175N59.4Low66.8Low5 Ų578.1 Ų78.13%0.02743%0.43CS..G310 helixtrans-73.32.7-175-14014.2000114.5V173 Q177 Y178 D179 M227 I228V173-N175 PolarHBondContact O-N 3.24Å; N175-Q177 PolarHBondContact O-N 3.16Å; N175-Q177 VanDerWaalsContact O-N 3.13Å; N175-Y178 PolarHBondContact O-N 3.38Å; N175-D179 WeakPolarHBondContact O-CB 3.46Å; N175-D179 PolarHBondContact O-N 3.15Å; N175-M227 HydrophobicContact CB-CE 3.76Å; N175-M227 WeakPolarHBondContact OD1-CA 3.43Å; N175-M227 WeakPolarHBondContact OD1-CE 3.38Å; N175-M227 PolarHBondContact OD1-SD 3.49Å; N175-I228 PolarHBondContact ND2-O 3.37Å
176I64Low68.9Low117 Ų11777.1 Ų77.160%0.642%0.422SS*.G310 helixtrans-64.3-23.6-167.5-57.2165000112.3S174S174-I176 PolarHBondContact O-N 2.91Å; S174-I176 VanDerWaalsContact O-N 3.08Å
177Q73.8Confident71Confident146 Ų14671 Ų7168%0.68239%0.389SS*.G310 helixtrans-72.7-26.8-178.4-173.4173.6-5.800113.6N175N175-Q177 PolarHBondContact O-N 3.16Å; N175-Q177 VanDerWaalsContact O-N 3.13Å
178Y76.6Confident73.1Confident41 Ų4168.6 Ų68.616%0.16136%0.363CS..THydrogen-bonded Turntrans-126.410.4-169.6-59.6-67.7000113.7N175N175-Y178 PolarHBondContact O-N 3.38Å
179D84.6Confident75.3Confident16 Ų1662.5 Ų62.59%0.08634%0.34CS..  trans-125.3130179.2-162.2-43000108.7N175 G181 I199 R207N175-D179 WeakPolarHBondContact O-CB 3.46Å; N175-D179 PolarHBondContact O-N 3.15Å; D179-G181 VanDerWaalsContact C-N 3.32Å; D179-G181 PolarHBondContact OD1-N 3.39Å; D179-I199 HydrophobicContact CB-CD1 4.29Å; D179-R207 IonicContact OD1-CZ 3.41Å; D179-R207 IonicContact OD1-NE 3.41Å; D179-R207 IonicContact OD1-NH2 3.26Å; D179-R207 PolarHBondContact OD1-NH2 3.06Å; D179-R207 IonicContact OD2-CZ 2.65Å; D179-R207 IonicContact OD2-NE 3.54Å; D179-R207 PolarHBondContact OD2-NE 3.4Å; D179-R207 IonicContact OD2-NH2 2.75Å; D179-R207 PolarHBondContact OD2-NH2 3.43Å
180D86.1Confident77.4Confident79 Ų7960 Ų6042%0.42232%0.32SS..  trans-87.9-1.1-178.862.4-0.9000112.9R182D180-R182 VanDerWaalsContact C-N 3.26Å; D180-R182 PolarHBondContact O-N 2.73Å; D180-R182 WeakPolarHBondContact OD1-CB 3.48Å; D180-R182 WeakPolarHBondContact OD1-CG 2.96Å; D180-R182 PolarHBondContact OD1-N 3.01Å; D180-R182 VanDerWaalsContact OD1-N 3.08Å; D180-R182 VanDerWaalsContact OD2-CD 3.27Å; D180-R182 WeakPolarHBondContact OD2-CD 3.43Å; D180-R182 IonicContact OD2-CZ 2.71Å; D180-R182 IonicContact OD2-NE 2.79Å; D180-R182 IonicContact OD2-NH1 2.63Å; D180-R182 PolarHBondContact OD2-NH1 3.36Å
181G87.7Confident79.4Confident28 Ų2853.4 Ų53.429%0.28929%0.288SS..  trans74.69.9179.800000114.8D179D179-G181 VanDerWaalsContact C-N 3.32Å; D179-G181 PolarHBondContact OD1-N 3.39Å
182R90.5Very high81.4Confident56 Ų5650.3 Ų50.321%0.21127%0.272CS..  trans-69.3148.7-179.678.4-175.8172.2-131.73.9112.4D180 E184 R207 P230 V280 E281D180-R182 VanDerWaalsContact C-N 3.26Å; D180-R182 PolarHBondContact O-N 2.73Å; D180-R182 WeakPolarHBondContact OD1-CB 3.48Å; D180-R182 WeakPolarHBondContact OD1-CG 2.96Å; D180-R182 PolarHBondContact OD1-N 3.01Å; D180-R182 VanDerWaalsContact OD1-N 3.08Å; D180-R182 VanDerWaalsContact OD2-CD 3.27Å; D180-R182 WeakPolarHBondContact OD2-CD 3.43Å; D180-R182 IonicContact OD2-CZ 2.71Å; D180-R182 IonicContact OD2-NE 2.79Å; D180-R182 IonicContact OD2-NH1 2.63Å; D180-R182 PolarHBondContact OD2-NH1 3.36Å; R182-E184 HydrophobicContact CG-CG 4.05Å; R182-E184 IonicContact CZ-OE1 3.22Å; R182-E184 IonicContact NE-OE1 2.78Å; R182-E184 PolarHBondContact NE-OE1 3.36Å; R182-E184 IonicContact NH2-OE1 3.7Å; R182-E184 PolarHBondContact NH2-OE1 2.83Å; R182-R207 PolarHBondContact O-NH1 3.49Å; R182-R207 PolarHBondContact O-NH2 3.16Å; R182-P230 HydrophobicContact CG-CB 4.45Å; R182-P230 VanDerWaalsContact CZ-CB 3.48Å; R182-V280 PolarHBondContact NH2-O 3.17Å; R182-E281 IonicContact CZ-OE2 3.95Å; R182-E281 IonicContact NH1-OE2 3.38Å; R182-E281 PolarHBondContact NH1-OE2 3.38Å; R182-E281 VanDerWaalsContact NH2-C 3.34Å; R182-E281 PolarHBondContact NH2-O 2.94Å
183F94.2Very high83.5Confident31 Ų3149.3 Ų49.314%0.13626%0.258CS..  trans-92.9140.4172.1-72.8-120000108K99 A100 V113 L134 S197 W198K99-F183 HydrophobicContact CB-CB 4.14Å; K99-F183 HydrophobicContact CB-CD1 4.42Å; K99-F183 HydrophobicContact CB-CD2 4.03Å; K99-F183 HydrophobicContact CB-CG 3.95Å; K99-F183 HydrophobicContact CD-CD2 4.41Å; K99-F183 HydrophobicContact CG-CD2 4.31Å; K99-F183 HydrophobicContact CG-CE2 4.44Å; A100-F183 HydrophobicContact CB-CB 3.77Å; V113-F183 HydrophobicContact CG1-CD1 3.81Å; V113-F183 HydrophobicContact CG1-CE1 4.16Å; L134-F183 HydrophobicContact CD2-CD1 4.1Å; L134-F183 HydrophobicContact CD2-CE1 3.58Å; F183-S197 WeakPolarHBondContact CA-O 3.39Å; F183-W198 HydrophobicContact CD1-CB 3.45Å; F183-W198 VanDerWaalsContact CD1-CB 3.45Å; F183-W198 HydrophobicContact CD1-CG 4.29Å; F183-W198 HydrophobicContact CD2-CB 4.41Å; F183-W198 HydrophobicContact CE1-CB 3.44Å; F183-W198 VanDerWaalsContact CE1-CB 3.44Å; F183-W198 AromaticContact CE1-CD1 3.96Å; F183-W198 AromaticContact CE1-CG 3.88Å; F183-W198 HydrophobicContact CE1-CG 3.88Å; F183-W198 HydrophobicContact CE2-CB 4.37Å; F183-W198 HydrophobicContact CG-CB 3.97Å; F183-W198 HydrophobicContact CZ-CB 3.92Å; F183-W198 HydrophobicContact CZ-CG 4.39Å
184E95.3Very high85.5Confident26 Ų2646.3 Ų46.312%0.12124%0.241CC..EExtended strand (participates in β ladder)trans-131.3142.2179.9-59176.2143.700109.7R182 V196 S197 G231 L232R182-E184 HydrophobicContact CG-CG 4.05Å; R182-E184 IonicContact CZ-OE1 3.22Å; R182-E184 IonicContact NE-OE1 2.78Å; R182-E184 PolarHBondContact NE-OE1 3.36Å; R182-E184 IonicContact NH2-OE1 3.7Å; R182-E184 PolarHBondContact NH2-OE1 2.83Å; E184-V196 CarbonylContact O-C 3.59Å; E184-V196 WeakPolarHBondContact O-CA 3.29Å; E184-S197 PolarHBondContact N-O 3.32Å; E184-S197 PolarHBondContact O-N 3.13Å; E184-G231 PolarHBondContact OE1-N 3.06Å; E184-G231 PolarHBondContact OE2-N 2.93Å; E184-L232 HydrophobicContact CB-CB 3.8Å; E184-L232 HydrophobicContact CB-CD2 4.24Å; E184-L232 WeakPolarHBondContact OE2-CB 3.31Å; E184-L232 PolarHBondContact OE2-N 3.47Å
185I96.5Very high87.6Confident21 Ų2142.7 Ų42.711%0.10822%0.215CC..EExtended strand (participates in β ladder)trans-124.1131.9176-54.7158.8000107.7A100 V111 V113 F194 A195 V196A100-I185 HydrophobicContact CB-CD1 3.65Å; A100-I185 HydrophobicContact CB-CG1 3.86Å; V111-I185 HydrophobicContact CB-CG2 4.47Å; V111-I185 HydrophobicContact CG1-CD1 4.01Å; V111-I185 HydrophobicContact CG1-CG2 4.28Å; V113-I185 HydrophobicContact CG2-CD1 4.01Å; V113-I185 HydrophobicContact CG2-CG1 4.24Å; I185-F194 HydrophobicContact CG2-CB 4.46Å; I185-F194 HydrophobicContact CG2-CD2 4.29Å; I185-A195 VanDerWaalsContact CA-O 3.3Å; I185-A195 WeakPolarHBondContact CA-O 3.4Å; I185-V196 HydrophobicContact CG1-CG2 4.48Å
186A95.3Very high89.3Confident10 Ų1042.4 Ų42.48%0.08321%0.214CC..EExtended strand (participates in β ladder)trans-131.9128174.800000110.7F194 A195 L232A186-F194 CarbonylContact O-C 3.55Å; A186-F194 WeakPolarHBondContact O-CA 3.34Å; A186-A195 PolarHBondContact N-O 2.98Å; A186-A195 PolarHBondContact O-N 3.33Å; A186-L232 HydrophobicContact CB-CD2 3.8Å; A186-L232 HydrophobicContact CB-CG 3.75Å
187W93.9Very high90.8Very high23 Ų2336.9 Ų36.99%0.08719%0.185CC..EExtended strand (participates in β ladder)trans-87.9147177.1-7493.2000112.1S102 I103 P105 K109 V111 G191 F194 W234S102-W187 PolarHBondContact O-NE1 3.33Å; S102-W187 VanDerWaalsContact OG-CD1 3.25Å; I103-W187 VanDerWaalsContact C-NE1 3.31Å; I103-W187 PolarHBondContact O-NE1 2.88Å; P105-W187 HydrophobicContact CG-CB 4.19Å; K109-W187 HydrophobicContact CB-CH2 4.16Å; K109-W187 HydrophobicContact CB-CZ2 4.5Å; V111-W187 HydrophobicContact CB-CZ2 4.05Å; V111-W187 HydrophobicContact CG2-CH2 3.71Å; V111-W187 HydrophobicContact CG2-CZ2 3.26Å; W187-G191 WeakPolarHBondContact CZ3-O 3.45Å; W187-F194 HydrophobicContact CD2-CB 3.77Å; W187-F194 HydrophobicContact CE3-CB 3.78Å; W187-F194 HydrophobicContact CE3-CD1 4.35Å; W187-F194 HydrophobicContact CG-CB 4.26Å; W187-F194 AromaticContact CH2-CD1 3.89Å; W187-F194 HydrophobicContact CH2-CD1 3.89Å; W187-F194 HydrophobicContact CH2-CG 4.49Å; W187-F194 HydrophobicContact CZ2-CD1 4.41Å; W187-F194 HydrophobicContact CZ3-CB 4.16Å; W187-F194 AromaticContact CZ3-CD1 3.85Å; W187-F194 HydrophobicContact CZ3-CD1 3.85Å; W187-F194 HydrophobicContact CZ3-CG 4.42Å; W187-W234 WeakPolarHBondContact O-CB 3.41Å
188R92.6Very high91.7Very high23 Ų2329.9 Ų29.99%0.08715%0.153CC..  trans-70.8147.5160.6-165.116974158.80.8109.1P105 D190 G191 Y193 W234P105-R188 WeakPolarHBondContact CG-O 3.37Å; R188-D190 IonicContact CZ-OD1 3.62Å; R188-D190 VanDerWaalsContact CZ-OD1 3.32Å; R188-D190 IonicContact CZ-OD2 3.84Å; R188-D190 IonicContact NE-OD1 3.64Å; R188-D190 PolarHBondContact NE-OD1 3.13Å; R188-D190 IonicContact NE-OD2 2.77Å; R188-D190 PolarHBondContact NE-OD2 3.16Å; R188-D190 IonicContact NH1-OD2 3.52Å; R188-D190 VanDerWaalsContact NH2-CG 3.26Å; R188-D190 IonicContact NH2-OD1 3.57Å; R188-D190 PolarHBondContact NH2-OD1 3.44Å; R188-D190 VanDerWaalsContact NH2-OD1 3.11Å; R188-D190 IonicContact NH2-OD2 3.47Å; R188-D190 PolarHBondContact NH2-OD2 3.17Å; R188-D190 PolarHBondContact O-N 3.21Å; R188-D190 VanDerWaalsContact O-N 3.13Å; R188-G191 PolarHBondContact O-N 3.34Å; R188-Y193 WeakPolarHBondContact CB-O 3.41Å; R188-Y193 PolarHBondContact N-O 3.24Å; R188-Y193 VanDerWaalsContact NH2-CD2 3.33Å; R188-W234 HydrophobicContact CB-CD2 3.83Å; R188-W234 HydrophobicContact CB-CE3 4.06Å; R188-W234 HydrophobicContact CB-CG 4.32Å; R188-W234 HydrophobicContact CB-CH2 4.31Å; R188-W234 HydrophobicContact CB-CZ2 4.09Å; R188-W234 HydrophobicContact CB-CZ3 4.29Å; R188-W234 HydrophobicContact CG-CD2 4.15Å; R188-W234 HydrophobicContact CG-CG 4.43Å; R188-W234 HydrophobicContact CG-CZ2 4.04Å
189D88.6Confident92.4Very high63 Ų6329.7 Ų29.734%0.33715%0.154SC..THydrogen-bonded Turntrans-60.6-22.9-173.757.5-26.4000114.8P236 R237D189-P236 HydrophobicContact CB-CB 4.13Å; D189-R237 PolarHBondContact OD2-N 3.3Å
190D89.5Confident92.6Very high70 Ų7029 Ų2937%0.37415%0.15SC..THydrogen-bonded Turntrans-90.80.7174.565.68.6000114.8R188 L192R188-D190 IonicContact CZ-OD1 3.62Å; R188-D190 VanDerWaalsContact CZ-OD1 3.32Å; R188-D190 IonicContact CZ-OD2 3.84Å; R188-D190 IonicContact NE-OD1 3.64Å; R188-D190 PolarHBondContact NE-OD1 3.13Å; R188-D190 IonicContact NE-OD2 2.77Å; R188-D190 PolarHBondContact NE-OD2 3.16Å; R188-D190 IonicContact NH1-OD2 3.52Å; R188-D190 VanDerWaalsContact NH2-CG 3.26Å; R188-D190 IonicContact NH2-OD1 3.57Å; R188-D190 PolarHBondContact NH2-OD1 3.44Å; R188-D190 VanDerWaalsContact NH2-OD1 3.11Å; R188-D190 IonicContact NH2-OD2 3.47Å; R188-D190 PolarHBondContact NH2-OD2 3.17Å; R188-D190 PolarHBondContact O-N 3.21Å; R188-D190 VanDerWaalsContact O-N 3.13Å; D190-L192 PolarHBondContact O-N 3.09Å; D190-L192 WeakPolarHBondContact OD1-CB 3.48Å; D190-L192 PolarHBondContact OD1-N 3.36Å; D190-L192 VanDerWaalsContact OD1-N 3.14Å
191G91.2Very high92.5Very high7 Ų728.7 Ų28.77%0.07215%0.153CC..SBendtrans71.53.8178.200000115.7W187 R188 D214W187-G191 WeakPolarHBondContact CZ3-O 3.45Å; R188-G191 PolarHBondContact O-N 3.34Å; G191-D214 WeakPolarHBondContact O-CB 3.45Å
192L92.4Very high92.3Very high79 Ų7933.4 Ų33.441%0.41417%0.17SC..SBendtrans-84.4-20.3-176.5-66.2176.7000114.1D190 N213 D214D190-L192 PolarHBondContact O-N 3.09Å; D190-L192 WeakPolarHBondContact OD1-CB 3.48Å; D190-L192 PolarHBondContact OD1-N 3.36Å; D190-L192 VanDerWaalsContact OD1-N 3.14Å; L192-N213 CarbonylContact O-C 3.56Å; L192-N213 WeakPolarHBondContact O-CA 3.35Å; L192-D214 PolarHBondContact O-N 3.36Å
193Y94.8Very high92Very high55 Ų5531.4 Ų31.422%0.21616%0.164CC..EExtended strand (participates in β ladder)trans-138.7151.9178.6-64.6-93.4000110.6R188 V211 Y212 N213 F219R188-Y193 WeakPolarHBondContact CB-O 3.41Å; R188-Y193 PolarHBondContact N-O 3.24Å; R188-Y193 VanDerWaalsContact NH2-CD2 3.33Å; Y193-V211 HydrophobicContact CD1-CG1 4.06Å; Y193-Y212 VanDerWaalsContact CA-O 3.25Å; Y193-Y212 WeakPolarHBondContact CA-O 3.48Å; Y193-Y212 WeakPolarHBondContact CB-O 3.43Å; Y193-Y212 WeakPolarHBondContact CD1-O 3.36Å; Y193-N213 HydrophobicContact CD1-CB 4.15Å; Y193-N213 HydrophobicContact CE1-CB 4.04Å; Y193-F219 HydrophobicContact CD1-CB 4.24Å; Y193-F219 HydrophobicContact CD1-CD1 4.36Å; Y193-F219 HydrophobicContact CD1-CG 4.17Å; Y193-F219 HydrophobicContact CE1-CB 4.03Å; Y193-F219 HydrophobicContact CE1-CD1 4.05Å; Y193-F219 AromaticContact CE1-CD2 3.68Å; Y193-F219 HydrophobicContact CE1-CD2 3.68Å; Y193-F219 HydrophobicContact CE1-CE1 4.44Å; Y193-F219 HydrophobicContact CE1-CE2 4.1Å; Y193-F219 AromaticContact CE1-CG 3.65Å; Y193-F219 HydrophobicContact CE1-CG 3.65Å; Y193-F219 HydrophobicContact CE1-CZ 4.46Å
194F96.1Very high91.4Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-136.6148.6168.563.5-87.4000110.6V111 I119 I121 F132 I185 A186 W187 V196 V211 Y212 N213V111-F194 HydrophobicContact CG1-CD2 4.06Å; V111-F194 HydrophobicContact CG1-CE2 3.7Å; V111-F194 HydrophobicContact CG1-CZ 4.11Å; V111-F194 HydrophobicContact CG2-CD1 3.96Å; V111-F194 HydrophobicContact CG2-CD2 4.23Å; V111-F194 HydrophobicContact CG2-CE1 3.79Å; V111-F194 HydrophobicContact CG2-CE2 4.08Å; V111-F194 HydrophobicContact CG2-CG 4.16Å; V111-F194 HydrophobicContact CG2-CZ 3.84Å; I119-F194 HydrophobicContact CG2-CE2 4.37Å; I119-F194 HydrophobicContact CG2-CZ 4.4Å; I121-F194 HydrophobicContact CD1-CE1 3.78Å; I121-F194 HydrophobicContact CD1-CZ 3.94Å; I121-F194 HydrophobicContact CG1-CZ 4.41Å; F132-F194 HydrophobicContact CZ-CZ 4.15Å; I185-F194 HydrophobicContact CG2-CB 4.46Å; I185-F194 HydrophobicContact CG2-CD2 4.29Å; A186-F194 CarbonylContact O-C 3.55Å; A186-F194 WeakPolarHBondContact O-CA 3.34Å; W187-F194 HydrophobicContact CD2-CB 3.77Å; W187-F194 HydrophobicContact CE3-CB 3.78Å; W187-F194 HydrophobicContact CE3-CD1 4.35Å; W187-F194 HydrophobicContact CG-CB 4.26Å; W187-F194 AromaticContact CH2-CD1 3.89Å; W187-F194 HydrophobicContact CH2-CD1 3.89Å; W187-F194 HydrophobicContact CH2-CG 4.49Å; W187-F194 HydrophobicContact CZ2-CD1 4.41Å; W187-F194 HydrophobicContact CZ3-CB 4.16Å; W187-F194 AromaticContact CZ3-CD1 3.85Å; W187-F194 HydrophobicContact CZ3-CD1 3.85Å; W187-F194 HydrophobicContact CZ3-CG 4.42Å; F194-V196 HydrophobicContact CD2-CG2 3.85Å; F194-V196 HydrophobicContact CE2-CG2 3.82Å; F194-V211 WeakPolarHBondContact O-CA 3.45Å; F194-Y212 HydrophobicContact CD2-CD2 4.34Å; F194-Y212 AromaticContact CE2-CD2 3.73Å; F194-Y212 HydrophobicContact CE2-CD2 3.73Å; F194-Y212 HydrophobicContact CE2-CG 4.05Å; F194-Y212 VanDerWaalsContact CZ-CB 3.5Å; F194-Y212 HydrophobicContact CZ-CD2 4.2Å; F194-Y212 HydrophobicContact CZ-CG 4.05Å; F194-Y212 PolarHBondContact N-O 3.23Å; F194-Y212 PolarHBondContact O-N 3.47Å; F194-N213 WeakPolarHBondContact CE1-O 3.45Å
195A95.9Very high90.8Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-106.2141.5174.900000110.2I185 A186 I209 R210 V211 L232 W234 I241I185-A195 VanDerWaalsContact CA-O 3.3Å; I185-A195 WeakPolarHBondContact CA-O 3.4Å; A186-A195 PolarHBondContact N-O 2.98Å; A186-A195 PolarHBondContact O-N 3.33Å; A195-I209 HydrophobicContact CB-CG2 4.13Å; A195-R210 CarbonylContact C-O 3.54Å; A195-R210 WeakPolarHBondContact CA-O 3.5Å; A195-V211 HydrophobicContact CB-CG2 4.37Å; A195-L232 HydrophobicContact CB-CD1 4.45Å; A195-L232 HydrophobicContact CB-CD2 4.12Å; A195-L232 WeakPolarHBondContact O-CD2 3.46Å; A195-W234 HydrophobicContact CB-CE3 4.25Å; A195-W234 HydrophobicContact CB-CZ3 4.03Å; A195-I241 HydrophobicContact CB-CD1 4.32Å
196V96.4Very high90.3Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-119.1125.9173.7-174.80000108.9V113 I119 L134 E184 I185 F194 W198 I209 R210 Y212V113-V196 HydrophobicContact CG2-CG1 4.24Å; I119-V196 HydrophobicContact CD1-CG2 4.24Å; L134-V196 HydrophobicContact CD1-CB 4.21Å; L134-V196 HydrophobicContact CD1-CG1 3.83Å; E184-V196 CarbonylContact O-C 3.59Å; E184-V196 WeakPolarHBondContact O-CA 3.29Å; I185-V196 HydrophobicContact CG1-CG2 4.48Å; F194-V196 HydrophobicContact CD2-CG2 3.85Å; F194-V196 HydrophobicContact CE2-CG2 3.82Å; V196-W198 HydrophobicContact CG1-CE3 4.35Å; V196-I209 WeakPolarHBondContact O-CA 3.35Å; V196-R210 PolarHBondContact N-O 3.44Å; V196-R210 PolarHBondContact O-N 3.42Å; V196-Y212 HydrophobicContact CB-CE2 4.42Å; V196-Y212 HydrophobicContact CG2-CD2 4.15Å; V196-Y212 HydrophobicContact CG2-CE2 4.1Å
197S94.9Very high90.1Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-113128.3177.2174.20000110.1F183 E184 R207 R208F183-S197 WeakPolarHBondContact CA-O 3.39Å; E184-S197 PolarHBondContact N-O 3.32Å; E184-S197 PolarHBondContact O-N 3.13Å; S197-R207 WeakPolarHBondContact OG-CD 3.46Å; S197-R207 WeakPolarHBondContact OG-CG 3.36Å; S197-R207 PolarHBondContact OG-NH1 3.01Å; S197-R208 WeakPolarHBondContact CA-O 3.34Å
198W93.7Very high90Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-155.5163.7179.679.4108.3000111.8L134 Y135 F183 V196 D200 R207 R208 R210L134-W198 HydrophobicContact CD1-CD2 4.04Å; L134-W198 HydrophobicContact CD1-CE3 3.73Å; L134-W198 HydrophobicContact CD1-CH2 3.96Å; L134-W198 HydrophobicContact CD1-CZ2 4.2Å; L134-W198 HydrophobicContact CD1-CZ3 3.7Å; L134-W198 HydrophobicContact CD2-CB 4.24Å; L134-W198 HydrophobicContact CD2-CD2 3.52Å; L134-W198 HydrophobicContact CD2-CE3 4.03Å; L134-W198 HydrophobicContact CD2-CG 3.59Å; L134-W198 HydrophobicContact CD2-CZ2 4.4Å; L134-W198 HydrophobicContact CG-CD2 3.86Å; L134-W198 HydrophobicContact CG-CE3 4.1Å; L134-W198 HydrophobicContact CG-CG 4.42Å; L134-W198 HydrophobicContact CG-CH2 4.19Å; L134-W198 HydrophobicContact CG-CZ2 3.9Å; L134-W198 HydrophobicContact CG-CZ3 4.26Å; Y135-W198 AromaticContact CE1-NE1 3.79Å; F183-W198 HydrophobicContact CD1-CB 3.45Å; F183-W198 VanDerWaalsContact CD1-CB 3.45Å; F183-W198 HydrophobicContact CD1-CG 4.29Å; F183-W198 HydrophobicContact CD2-CB 4.41Å; F183-W198 HydrophobicContact CE1-CB 3.44Å; F183-W198 VanDerWaalsContact CE1-CB 3.44Å; F183-W198 AromaticContact CE1-CD1 3.96Å; F183-W198 AromaticContact CE1-CG 3.88Å; F183-W198 HydrophobicContact CE1-CG 3.88Å; F183-W198 HydrophobicContact CE2-CB 4.37Å; F183-W198 HydrophobicContact CG-CB 3.97Å; F183-W198 HydrophobicContact CZ-CB 3.92Å; F183-W198 HydrophobicContact CZ-CG 4.39Å; V196-W198 HydrophobicContact CG1-CE3 4.35Å; W198-D200 HydrophobicContact CZ2-CB 4.15Å; W198-D200 PolarHBondContact O-N 3.41Å; W198-R207 CarbonylContact O-C 3.5Å; W198-R207 VanDerWaalsContact O-CA 3.24Å; W198-R207 WeakPolarHBondContact O-CA 3.36Å; W198-R208 HydrophobicContact CH2-CB 4.08Å; W198-R208 HydrophobicContact CZ2-CB 4.35Å; W198-R208 HydrophobicContact CZ3-CB 4.24Å; W198-R208 PolarHBondContact N-O 3.19Å; W198-R208 VanDerWaalsContact N-O 3.09Å; W198-R208 PolarHBondContact O-N 3.33Å; W198-R210 HydrophobicContact CH2-CB 4.19Å; W198-R210 VanDerWaalsContact CH2-CD 3.41Å; W198-R210 HydrophobicContact CH2-CG 3.53Å; W198-R210 HydrophobicContact CZ3-CB 3.84Å; W198-R210 HydrophobicContact CZ3-CG 3.67Å
199I90.3Very high90Very high37 Ų3738 Ų3819%0.1920%0.195CC..EExtended strand (participates in β ladder)trans-76.9114.9168.1-64.6-172.7000108.7D179 P201 N205D179-I199 HydrophobicContact CB-CD1 4.29Å; I199-P201 VanDerWaalsContact O-CD 3.27Å; I199-P201 WeakPolarHBondContact O-CD 3.45Å; I199-N205 HydrophobicContact CG2-CB 3.78Å
200D88.7Confident90.3Very high1 Ų135.1 Ų35.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-88.4111.3-179.8-175.3-7.9000111.1W198 L202 T203 N205 R206 R208W198-D200 HydrophobicContact CZ2-CB 4.15Å; W198-D200 PolarHBondContact O-N 3.41Å; D200-L202 PolarHBondContact O-N 3.27Å; D200-L202 VanDerWaalsContact O-N 3.17Å; D200-L202 VanDerWaalsContact OD1-CB 3.29Å; D200-L202 WeakPolarHBondContact OD1-CB 3.26Å; D200-L202 PolarHBondContact OD1-N 2.82Å; D200-T203 HydrophobicContact CB-CG2 4.36Å; D200-T203 WeakPolarHBondContact CB-OG1 3.24Å; D200-T203 PolarHBondContact O-N 3.09Å; D200-T203 VanDerWaalsContact O-N 3.08Å; D200-T203 PolarHBondContact O-OG1 3.06Å; D200-N205 WeakPolarHBondContact O-CA 3.4Å; D200-N205 PolarHBondContact O-N 2.86Å; D200-R206 PolarHBondContact N-O 2.63Å; D200-R208 HydrophobicContact CB-CB 4.24Å; D200-R208 HydrophobicContact CB-CG 4.08Å; D200-R208 IonicContact OD2-CZ 2.85Å; D200-R208 IonicContact OD2-NE 3.64Å; D200-R208 PolarHBondContact OD2-NE 3.3Å; D200-R208 IonicContact OD2-NH2 2.81Å; D200-R208 PolarHBondContact OD2-NH2 2.69Å
201P84.2Confident90.6Very high73 Ų7331.8 Ų31.847%0.47416%0.162SC..G310 helixtrans-61.6-24.1179.7-19.933.7000113.3Y135 I199 T203 N205Y135-P201 HydrophobicContact CE1-CG 4.37Å; I199-P201 VanDerWaalsContact O-CD 3.27Å; I199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-T203 VanDerWaalsContact C-N 3.26Å; P201-T203 PolarHBondContact O-N 3.44Å; P201-N205 WeakPolarHBondContact CA-OD1 3.33Å
202L84.3Confident90.8Very high127 Ų12731.5 Ų31.567%0.66516%0.158SC*.G310 helixtrans-77.2-12.7-179.7-56.8174.3000112.7D200D200-L202 PolarHBondContact O-N 3.27Å; D200-L202 VanDerWaalsContact O-N 3.17Å; D200-L202 VanDerWaalsContact OD1-CB 3.29Å; D200-L202 WeakPolarHBondContact OD1-CB 3.26Å; D200-L202 PolarHBondContact OD1-N 2.82Å
203T82.6Confident90.9Very high13 Ų1329 Ų298%0.0815%0.145CC..G310 helixtrans-117.135.8-174.3670000113.4D200 P201 N205 R206 I224D200-T203 HydrophobicContact CB-CG2 4.36Å; D200-T203 WeakPolarHBondContact CB-OG1 3.24Å; D200-T203 PolarHBondContact O-N 3.09Å; D200-T203 VanDerWaalsContact O-N 3.08Å; D200-T203 PolarHBondContact O-OG1 3.06Å; P201-T203 VanDerWaalsContact C-N 3.26Å; P201-T203 PolarHBondContact O-N 3.44Å; T203-N205 VanDerWaalsContact C-N 3.35Å; T203-R206 PolarHBondContact O-NE 3.45Å; T203-R206 PolarHBondContact O-NH2 3.27Å; T203-R206 VanDerWaalsContact O-NH2 3.15Å; T203-I224 HydrophobicContact CG2-CD1 4.05Å; T203-I224 HydrophobicContact CG2-CG1 4.34Å
204E82Confident90.8Very high128 Ų12828.1 Ų28.160%0.59814%0.144SC*.THydrogen-bonded Turntrans63.538.1-176.1-51.6171.1152.500112.3R206E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.09Å; E204-R206 IonicContact OE2-CZ 3.89Å; E204-R206 IonicContact OE2-NH1 3.11Å; E204-R206 IonicContact OE2-NH2 2.73Å; E204-R206 PolarHBondContact OE2-NH2 3.17Å
205N83.5Confident90.6Very high76 Ų7631.4 Ų31.441%0.40616%0.164SC..SBendtrans55.842.3-178.7-61.4-35.5000113.4I199 D200 P201 T203I199-N205 HydrophobicContact CG2-CB 3.78Å; D200-N205 WeakPolarHBondContact O-CA 3.4Å; D200-N205 PolarHBondContact O-N 2.86Å; P201-N205 WeakPolarHBondContact CA-OD1 3.33Å; T203-N205 VanDerWaalsContact C-N 3.35Å
206R86.4Confident90.4Very high40 Ų4031.9 Ų31.915%0.15117%0.17CC..EExtended strand (participates in β ladder)trans-94.4148.6170.9-77.4177.8-74.2-154.2-13.2111D200 T203 E204 R208 N226D200-R206 PolarHBondContact N-O 2.63Å; T203-R206 PolarHBondContact O-NE 3.45Å; T203-R206 PolarHBondContact O-NH2 3.27Å; T203-R206 VanDerWaalsContact O-NH2 3.15Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.09Å; E204-R206 IonicContact OE2-CZ 3.89Å; E204-R206 IonicContact OE2-NH1 3.11Å; E204-R206 IonicContact OE2-NH2 2.73Å; E204-R206 PolarHBondContact OE2-NH2 3.17Å; R206-R208 PolarHBondContact O-N 3.39Å; R206-N226 WeakPolarHBondContact CD-OD1 3.09Å; R206-N226 PolarHBondContact NH1-OD1 3.46Å
207R90.9Very high90.2Very high3 Ų338 Ų381%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-72123.4175.9-175.2165.6-75.1-85.32.5110D179 R182 S197 W198 I228D179-R207 IonicContact OD1-CZ 3.41Å; D179-R207 IonicContact OD1-NE 3.41Å; D179-R207 IonicContact OD1-NH2 3.26Å; D179-R207 PolarHBondContact OD1-NH2 3.06Å; D179-R207 IonicContact OD2-CZ 2.65Å; D179-R207 IonicContact OD2-NE 3.54Å; D179-R207 PolarHBondContact OD2-NE 3.4Å; D179-R207 IonicContact OD2-NH2 2.75Å; D179-R207 PolarHBondContact OD2-NH2 3.43Å; R182-R207 PolarHBondContact O-NH1 3.49Å; R182-R207 PolarHBondContact O-NH2 3.16Å; S197-R207 WeakPolarHBondContact OG-CD 3.46Å; S197-R207 WeakPolarHBondContact OG-CG 3.36Å; S197-R207 PolarHBondContact OG-NH1 3.01Å; W198-R207 CarbonylContact O-C 3.5Å; W198-R207 VanDerWaalsContact O-CA 3.24Å; W198-R207 WeakPolarHBondContact O-CA 3.36Å; R207-I228 HydrophobicContact CB-CB 4.25Å; R207-I228 HydrophobicContact CB-CG2 4.27Å; R207-I228 HydrophobicContact CG-CG2 4.06Å
208R90.5Very high90.2Very high26 Ų2639.1 Ų39.110%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-114.7154.9174.5-77.5-137.9-68.3-178.9-2.1110.6S197 W198 D200 R206S197-R208 WeakPolarHBondContact CA-O 3.34Å; W198-R208 HydrophobicContact CH2-CB 4.08Å; W198-R208 HydrophobicContact CZ2-CB 4.35Å; W198-R208 HydrophobicContact CZ3-CB 4.24Å; W198-R208 PolarHBondContact N-O 3.19Å; W198-R208 VanDerWaalsContact N-O 3.09Å; W198-R208 PolarHBondContact O-N 3.33Å; D200-R208 HydrophobicContact CB-CB 4.24Å; D200-R208 HydrophobicContact CB-CG 4.08Å; D200-R208 IonicContact OD2-CZ 2.85Å; D200-R208 IonicContact OD2-NE 3.64Å; D200-R208 PolarHBondContact OD2-NE 3.3Å; D200-R208 IonicContact OD2-NH2 2.81Å; D200-R208 PolarHBondContact OD2-NH2 2.69Å; R206-R208 PolarHBondContact O-N 3.39Å
209I93.9Very high90.2Very high1 Ų141 Ų411%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-123130.1176-55.6171.5000107.7A195 V196 T222 L232 T243 F257A195-I209 HydrophobicContact CB-CG2 4.13Å; V196-I209 WeakPolarHBondContact O-CA 3.35Å; I209-T222 HydrophobicContact CB-CG2 3.8Å; I209-T222 PolarHBondContact N-OG1 2.63Å; I209-T222 PolarHBondContact O-N 3.19Å; I209-T222 PolarHBondContact O-OG1 3.02Å; I209-L232 HydrophobicContact CD1-CD1 4.06Å; I209-L232 HydrophobicContact CG1-CD1 4.45Å; I209-L232 HydrophobicContact CG2-CD1 4.16Å; I209-T243 HydrophobicContact CD1-CG2 3.96Å; I209-F257 HydrophobicContact CD1-CD2 4.37Å; I209-F257 HydrophobicContact CD1-CE2 4.21Å
210R93.9Very high90.3Very high2 Ų239.2 Ų39.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-120139.7172.8-81.9-173.7169.5176.4-10.9110.6L134 E136 G138 A195 V196 W198 Y212 L218 S220 T221L134-R210 PolarHBondContact O-NH1 3.24Å; E136-R210 PolarHBondContact O-NH1 3.19Å; E136-R210 PolarHBondContact O-NH2 3.48Å; G138-R210 PolarHBondContact O-NH2 2.97Å; A195-R210 CarbonylContact C-O 3.54Å; A195-R210 WeakPolarHBondContact CA-O 3.5Å; V196-R210 PolarHBondContact N-O 3.44Å; V196-R210 PolarHBondContact O-N 3.42Å; W198-R210 HydrophobicContact CH2-CB 4.19Å; W198-R210 VanDerWaalsContact CH2-CD 3.41Å; W198-R210 HydrophobicContact CH2-CG 3.53Å; W198-R210 HydrophobicContact CZ3-CB 3.84Å; W198-R210 HydrophobicContact CZ3-CG 3.67Å; R210-Y212 HydrophobicContact CB-CD2 4.37Å; R210-Y212 HydrophobicContact CB-CE2 3.59Å; R210-Y212 VanDerWaalsContact CD-OH 3.29Å; R210-Y212 WeakPolarHBondContact CD-OH 3.16Å; R210-L218 HydrophobicContact CB-CD1 4.01Å; R210-L218 HydrophobicContact CG-CD1 3.95Å; R210-S220 WeakPolarHBondContact CA-O 3.3Å; R210-T221 HydrophobicContact CG-CG2 3.74Å; R210-T221 WeakPolarHBondContact CG-OG1 3.3Å; R210-T221 PolarHBondContact NE-OG1 3.34Å
211V95.4Very high90.5Very high0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-108.1128.8175.7-175.10000108.4Y193 F194 A195 F219 S220 W234 I241Y193-V211 HydrophobicContact CD1-CG1 4.06Å; F194-V211 WeakPolarHBondContact O-CA 3.45Å; A195-V211 HydrophobicContact CB-CG2 4.37Å; V211-F219 HydrophobicContact CB-CB 4.44Å; V211-F219 HydrophobicContact CB-CD1 4.42Å; V211-F219 HydrophobicContact CG1-CB 4.28Å; V211-F219 HydrophobicContact CG1-CD1 4.08Å; V211-F219 WeakPolarHBondContact O-CA 3.47Å; V211-F219 WeakPolarHBondContact O-CB 3.46Å; V211-F219 PolarHBondContact O-N 3.22Å; V211-S220 WeakPolarHBondContact CG2-OG 3.49Å; V211-S220 PolarHBondContact N-O 2.93Å; V211-S220 PolarHBondContact O-N 3.43Å; V211-W234 HydrophobicContact CG1-CH2 3.92Å; V211-W234 HydrophobicContact CG1-CZ3 4.21Å; V211-I241 HydrophobicContact CG2-CD1 3.51Å
212Y95.8Very high90.8Very high1 Ų135.8 Ų35.80%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-118.3153.2175.2-61-88.6000109.5I119 F132 L134 Y193 F194 V196 R210 E217 L218I119-Y212 HydrophobicContact CD1-CD2 4.24Å; I119-Y212 HydrophobicContact CD1-CE1 4.41Å; I119-Y212 HydrophobicContact CD1-CE2 3.58Å; F132-Y212 HydrophobicContact CD2-CD1 4.35Å; F132-Y212 AromaticContact CD2-CE1 3.98Å; F132-Y212 HydrophobicContact CD2-CE1 3.98Å; F132-Y212 AromaticContact CE2-CD1 3.53Å; F132-Y212 HydrophobicContact CE2-CD1 3.53Å; F132-Y212 AromaticContact CE2-CE1 3.45Å; F132-Y212 HydrophobicContact CE2-CE1 3.45Å; F132-Y212 VanDerWaalsContact CE2-CE1 3.45Å; F132-Y212 HydrophobicContact CE2-CE2 4.46Å; F132-Y212 HydrophobicContact CE2-CG 4.1Å; F132-Y212 AromaticContact CE2-CZ 3.95Å; F132-Y212 HydrophobicContact CZ-CD1 4.11Å; F132-Y212 HydrophobicContact CZ-CE1 4.45Å; F132-Y212 HydrophobicContact CZ-CG 4.4Å; L134-Y212 HydrophobicContact CD1-CE2 4.46Å; Y193-Y212 VanDerWaalsContact CA-O 3.25Å; Y193-Y212 WeakPolarHBondContact CA-O 3.48Å; Y193-Y212 WeakPolarHBondContact CB-O 3.43Å; Y193-Y212 WeakPolarHBondContact CD1-O 3.36Å; F194-Y212 HydrophobicContact CD2-CD2 4.34Å; F194-Y212 AromaticContact CE2-CD2 3.73Å; F194-Y212 HydrophobicContact CE2-CD2 3.73Å; F194-Y212 HydrophobicContact CE2-CG 4.05Å; F194-Y212 VanDerWaalsContact CZ-CB 3.5Å; F194-Y212 HydrophobicContact CZ-CD2 4.2Å; F194-Y212 HydrophobicContact CZ-CG 4.05Å; F194-Y212 PolarHBondContact N-O 3.23Å; F194-Y212 PolarHBondContact O-N 3.47Å; V196-Y212 HydrophobicContact CB-CE2 4.42Å; V196-Y212 HydrophobicContact CG2-CD2 4.15Å; V196-Y212 HydrophobicContact CG2-CE2 4.1Å; R210-Y212 HydrophobicContact CB-CD2 4.37Å; R210-Y212 HydrophobicContact CB-CE2 3.59Å; R210-Y212 VanDerWaalsContact CD-OH 3.29Å; R210-Y212 WeakPolarHBondContact CD-OH 3.16Å; Y212-E217 VanDerWaalsContact CA-O 3.32Å; Y212-E217 WeakPolarHBondContact CA-O 3.2Å; Y212-L218 HydrophobicContact CD1-CB 4.13Å; Y212-L218 HydrophobicContact CD1-CD1 4.06Å; Y212-L218 HydrophobicContact CE1-CB 3.91Å; Y212-L218 HydrophobicContact CE1-CD1 3.56Å; Y212-L218 HydrophobicContact CE1-CG 4.32Å; Y212-L218 HydrophobicContact CE2-CD1 4.45Å
213N94.3Very high90.9Very high25 Ų2535.3 Ų35.313%0.13418%0.175CC..EExtended strand (participates in β ladder)trans-77.8169164.671.713.7000110.9L192 Y193 F194 T215 G216 E217L192-N213 CarbonylContact O-C 3.56Å; L192-N213 WeakPolarHBondContact O-CA 3.35Å; Y193-N213 HydrophobicContact CD1-CB 4.15Å; Y193-N213 HydrophobicContact CE1-CB 4.04Å; F194-N213 WeakPolarHBondContact CE1-O 3.45Å; N213-T215 PolarHBondContact ND2-OG1 2.81Å; N213-T215 PolarHBondContact O-N 3.31Å; N213-T215 PolarHBondContact OD1-N 2.67Å; N213-T215 VanDerWaalsContact OD1-N 3.08Å; N213-T215 PolarHBondContact OD1-OG1 3.32Å; N213-G216 PolarHBondContact O-N 3.03Å; N213-G216 PolarHBondContact OD1-N 3.23Å; N213-E217 PolarHBondContact N-O 3.29Å; N213-E217 PolarHBondContact ND2-OE2 3.06Å; N213-E217 PolarHBondContact OD1-N 2.96Å
214D92.7Very high91Very high37 Ų3738.8 Ų38.820%0.19819%0.192CC..THydrogen-bonded Turntrans-64.7-1.7179.673.3-33.7000115.5K109 G191 L192K109-D214 HydrophobicContact CD-CB 4.32Å; K109-D214 PolarHBondContact NZ-O 3.1Å; K109-D214 IonicContact NZ-OD2 3.4Å; K109-D214 PolarHBondContact NZ-OD2 2.96Å; G191-D214 WeakPolarHBondContact O-CB 3.45Å; L192-D214 PolarHBondContact O-N 3.36Å
215T92.7Very high91Very high69 Ų6934.1 Ų34.142%0.42317%0.173SC..THydrogen-bonded Turntrans-105.1-13.7173.468.70000113.2S130 N213S130-T215 WeakPolarHBondContact CB-O 3.47Å; S130-T215 PolarHBondContact OG-O 3.44Å; N213-T215 PolarHBondContact ND2-OG1 2.81Å; N213-T215 PolarHBondContact O-N 3.31Å; N213-T215 PolarHBondContact OD1-N 2.67Å; N213-T215 VanDerWaalsContact OD1-N 3.08Å; N213-T215 PolarHBondContact OD1-OG1 3.32Å
216G91.4Very high91Very high11 Ų1133.4 Ų33.411%0.11317%0.169CC..SBendtrans103.57.9179.200000115.6F132 N213F132-G216 VanDerWaalsContact CZ-CA 3.41Å; N213-G216 PolarHBondContact O-N 3.03Å; N213-G216 PolarHBondContact OD1-N 3.23Å
217E92.8Very high91Very high129 Ų12932.2 Ų32.260%0.60317%0.165SC*.  trans-79.2134.6175-55.7176.1146.400110.6Y212 N213 F219Y212-E217 VanDerWaalsContact CA-O 3.32Å; Y212-E217 WeakPolarHBondContact CA-O 3.2Å; N213-E217 PolarHBondContact N-O 3.29Å; N213-E217 PolarHBondContact ND2-OE2 3.06Å; N213-E217 PolarHBondContact OD1-N 2.96Å; E217-F219 PolarHBondContact O-N 3.36Å
218L94.2Very high90.9Very high22 Ų2232.1 Ų32.112%0.11517%0.165CC..EExtended strand (participates in β ladder)trans-68.7113.7178.2-178.464.5000111G140 S141 R210 Y212G140-L218 VanDerWaalsContact CA-O 3.26Å; G140-L218 WeakPolarHBondContact CA-O 3.21Å; S141-L218 PolarHBondContact N-O 2.93Å; S141-L218 VanDerWaalsContact N-O 3.16Å; R210-L218 HydrophobicContact CB-CD1 4.01Å; R210-L218 HydrophobicContact CG-CD1 3.95Å; Y212-L218 HydrophobicContact CD1-CB 4.13Å; Y212-L218 HydrophobicContact CD1-CD1 4.06Å; Y212-L218 HydrophobicContact CE1-CB 3.91Å; Y212-L218 HydrophobicContact CE1-CD1 3.56Å; Y212-L218 HydrophobicContact CE1-CG 4.32Å; Y212-L218 HydrophobicContact CE2-CD1 4.45Å
219F93.4Very high90.8Very high40 Ų4031.1 Ų31.118%0.17516%0.162CC..EExtended strand (participates in β ladder)trans-86.8-53.5179-175.9-107.9000112G140 S141 A142 Y193 V211 E217 S259G140-F219 CarbonylContact C-O 3.56Å; S141-F219 PolarHBondContact N-O 3.23Å; S141-F219 VanDerWaalsContact N-O 3.12Å; A142-F219 HydrophobicContact CB-CD1 4.1Å; A142-F219 HydrophobicContact CB-CD2 4.05Å; A142-F219 HydrophobicContact CB-CE1 3.71Å; A142-F219 HydrophobicContact CB-CE2 3.68Å; A142-F219 HydrophobicContact CB-CG 4.26Å; A142-F219 HydrophobicContact CB-CZ 3.49Å; A142-F219 VanDerWaalsContact CB-CZ 3.49Å; A142-F219 WeakPolarHBondContact CB-O 3.3Å; A142-F219 PolarHBondContact N-O 2.89Å; Y193-F219 HydrophobicContact CD1-CB 4.24Å; Y193-F219 HydrophobicContact CD1-CD1 4.36Å; Y193-F219 HydrophobicContact CD1-CG 4.17Å; Y193-F219 HydrophobicContact CE1-CB 4.03Å; Y193-F219 HydrophobicContact CE1-CD1 4.05Å; Y193-F219 AromaticContact CE1-CD2 3.68Å; Y193-F219 HydrophobicContact CE1-CD2 3.68Å; Y193-F219 HydrophobicContact CE1-CE1 4.44Å; Y193-F219 HydrophobicContact CE1-CE2 4.1Å; Y193-F219 AromaticContact CE1-CG 3.65Å; Y193-F219 HydrophobicContact CE1-CG 3.65Å; Y193-F219 HydrophobicContact CE1-CZ 4.46Å; V211-F219 HydrophobicContact CB-CB 4.44Å; V211-F219 HydrophobicContact CB-CD1 4.42Å; V211-F219 HydrophobicContact CG1-CB 4.28Å; V211-F219 HydrophobicContact CG1-CD1 4.08Å; V211-F219 WeakPolarHBondContact O-CA 3.47Å; V211-F219 WeakPolarHBondContact O-CB 3.46Å; V211-F219 PolarHBondContact O-N 3.22Å; E217-F219 PolarHBondContact O-N 3.36Å; F219-S259 VanDerWaalsContact CD1-O 3.23Å; F219-S259 WeakPolarHBondContact CD1-O 3.24Å; F219-S259 VanDerWaalsContact CE1-O 3.27Å; F219-S259 WeakPolarHBondContact CE1-O 3.18Å
220S93.4Very high90.6Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-151.7161.9179.576.90000112.9F139 R210 V211 S259 S261F139-S220 CarbonylContact O-C 3.37Å; F139-S220 WeakPolarHBondContact O-CA 3.42Å; R210-S220 WeakPolarHBondContact CA-O 3.3Å; V211-S220 WeakPolarHBondContact CG2-OG 3.49Å; V211-S220 PolarHBondContact N-O 2.93Å; V211-S220 PolarHBondContact O-N 3.43Å; S220-S259 WeakPolarHBondContact CB-O 3.43Å; S220-S259 PolarHBondContact OG-O 3.38Å; S220-S261 PolarHBondContact OG-N 3.37Å; S220-S261 PolarHBondContact OG-OG 2.92Å
221T92.3Very high90.5Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-135.7138.3174.4-55.20000109.9F139 R210 S261F139-T221 HydrophobicContact CD1-CG2 4.5Å; F139-T221 WeakPolarHBondContact CD1-O 3.15Å; F139-T221 PolarHBondContact O-N 2.96Å; F139-T221 PolarHBondContact O-OG1 3.31Å; R210-T221 HydrophobicContact CG-CG2 3.74Å; R210-T221 WeakPolarHBondContact CG-OG1 3.3Å; R210-T221 PolarHBondContact NE-OG1 3.34Å; T221-S261 VanDerWaalsContact C-CB 3.41Å; T221-S261 VanDerWaalsContact C-OG 3.31Å; T221-S261 PolarHBondContact N-OG 2.88Å; T221-S261 WeakPolarHBondContact O-CB 3.33Å
222T90.8Very high90.5Very high1 Ų131.8 Ų31.81%0.00617%0.166CC..  trans-67.7146.617754.40000113.2I209 F257 S261I209-T222 HydrophobicContact CB-CG2 3.8Å; I209-T222 PolarHBondContact N-OG1 2.63Å; I209-T222 PolarHBondContact O-N 3.19Å; I209-T222 PolarHBondContact O-OG1 3.02Å; T222-F257 HydrophobicContact CG2-CD1 4.12Å; T222-F257 HydrophobicContact CG2-CE1 4.13Å; T222-F257 HydrophobicContact CG2-CG 4.41Å; T222-F257 HydrophobicContact CG2-CZ 4.41Å; T222-S261 PolarHBondContact N-OG 3.37Å
223E85.9Confident90.4Very high118 Ų11832.4 Ų32.455%0.55117%0.17SC*.  trans-62.4149.5167-69.3-171.7175.500110.4T225E223-T225 PolarHBondContact O-N 3.03Å; E223-T225 PolarHBondContact O-OG1 3.15Å
224I84.2Confident90.4Very high85 Ų8531.8 Ų31.844%0.43617%0.166SC..  trans-63.3106.4179.9-59.7178000108.8T203T203-I224 HydrophobicContact CG2-CD1 4.05Å; T203-I224 HydrophobicContact CG2-CG1 4.34Å
225T83.4Confident90.3Very high31 Ų3131.4 Ų31.419%0.1916%0.162CC..  trans-118.4133.1-175.8-56.10000109.2E223 I228E223-T225 PolarHBondContact O-N 3.03Å; E223-T225 PolarHBondContact O-OG1 3.15Å; T225-I228 HydrophobicContact CG2-CD1 4.18Å; T225-I228 HydrophobicContact CG2-CG1 4.11Å
226N82.7Confident90Very high60 Ų6029 Ų2932%0.32115%0.147SC..THydrogen-bonded Turntrans-75.2147.5-179.8-66.2-15.2000111.1R206 I228 Q245R206-N226 WeakPolarHBondContact CD-OD1 3.09Å; R206-N226 PolarHBondContact NH1-OD1 3.46Å; N226-I228 VanDerWaalsContact C-N 3.29Å; N226-I228 PolarHBondContact O-N 2.76Å; N226-Q245 PolarHBondContact O-NE2 2.89Å
227M85.7Confident89.6Confident15 Ų1535.4 Ų35.47%0.07417%0.168CC..THydrogen-bonded Turntrans61.327168.5-56.9-69.7105.300115.7V173 N175 S229 Q245 R246V173-M227 HydrophobicContact CB-CE 3.92Å; V173-M227 HydrophobicContact CG1-CE 4.1Å; V173-M227 HydrophobicContact CG1-SD 4.43Å; V173-M227 WeakPolarHBondContact O-CE 3.4Å; N175-M227 HydrophobicContact CB-CE 3.76Å; N175-M227 WeakPolarHBondContact OD1-CA 3.43Å; N175-M227 WeakPolarHBondContact OD1-CE 3.38Å; N175-M227 PolarHBondContact OD1-SD 3.49Å; M227-S229 PolarHBondContact O-N 2.87Å; M227-Q245 CarbonylContact O-C 3.57Å; M227-Q245 WeakPolarHBondContact O-CA 3.33Å; M227-R246 HydrophobicContact CB-CB 4.2Å; M227-R246 WeakPolarHBondContact CB-O 3.46Å; M227-R246 PolarHBondContact O-N 3.29Å
228I89.5Confident89Confident1 Ų132.5 Ų32.51%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-66129.8164.4-64.2-179.8000107.7N175 R207 T225 N226 T243 I255 F257N175-I228 PolarHBondContact ND2-O 3.37Å; R207-I228 HydrophobicContact CB-CB 4.25Å; R207-I228 HydrophobicContact CB-CG2 4.27Å; R207-I228 HydrophobicContact CG-CG2 4.06Å; T225-I228 HydrophobicContact CG2-CD1 4.18Å; T225-I228 HydrophobicContact CG2-CG1 4.11Å; N226-I228 VanDerWaalsContact C-N 3.29Å; N226-I228 PolarHBondContact O-N 2.76Å; I228-T243 HydrophobicContact CG2-CG2 3.98Å; I228-I255 HydrophobicContact CG1-CD1 4.4Å; I228-F257 HydrophobicContact CD1-CZ 4.24Å
229S88.3Confident88.5Confident5 Ų535.2 Ų35.24%0.03517%0.171CC..EExtended strand (participates in β ladder)trans-106.1164.9177.759.10000111M227 T243 A244M227-S229 PolarHBondContact O-N 2.87Å; S229-T243 PolarHBondContact O-OG1 3.28Å; S229-T243 VanDerWaalsContact O-OG1 3.12Å; S229-A244 PolarHBondContact N-O 2.94Å; S229-A244 WeakPolarHBondContact OG-CB 3.47Å; S229-A244 PolarHBondContact OG-O 2.78Å
230P89.9Confident88.5Confident0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-54.8157.9172.1-25.935.2000113.6R182R182-P230 HydrophobicContact CG-CB 4.45Å; R182-P230 VanDerWaalsContact CZ-CB 3.48Å
231G91.6Very high88.6Confident1 Ų134 Ų341%0.0117%0.166CC..EExtended strand (participates in β ladder)trans125.643.7-178.300000114.1E184 T243 I283E184-G231 PolarHBondContact OE1-N 3.06Å; E184-G231 PolarHBondContact OE2-N 2.93Å; G231-T243 WeakPolarHBondContact O-CA 3.29Å; G231-I283 WeakPolarHBondContact O-CD1 3.45Å
232L95.3Very high88.7Confident16 Ų1634 Ų348%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-72.1127.2179.3-172.772.5000112.3E184 A186 A195 I209 I241 T242E184-L232 HydrophobicContact CB-CB 3.8Å; E184-L232 HydrophobicContact CB-CD2 4.24Å; E184-L232 WeakPolarHBondContact OE2-CB 3.31Å; E184-L232 PolarHBondContact OE2-N 3.47Å; A186-L232 HydrophobicContact CB-CD2 3.8Å; A186-L232 HydrophobicContact CB-CG 3.75Å; A195-L232 HydrophobicContact CB-CD1 4.45Å; A195-L232 HydrophobicContact CB-CD2 4.12Å; A195-L232 WeakPolarHBondContact O-CD2 3.46Å; I209-L232 HydrophobicContact CD1-CD1 4.06Å; I209-L232 HydrophobicContact CG1-CD1 4.45Å; I209-L232 HydrophobicContact CG2-CD1 4.16Å; L232-I241 HydrophobicContact CD1-CG2 3.65Å; L232-T242 WeakPolarHBondContact CA-O 3.44Å
233C94.9Very high88.9Confident15 Ų1534 Ų3410%0.10117%0.166CC..EExtended strand (participates in β ladder)trans-147.3148.8173.1-1710000110.8T242 I283C233-T242 PolarHBondContact N-O 3.36Å; C233-T242 PolarHBondContact O-N 2.96Å; C233-I283 HydrophobicContact CB-CB 4.28Å; C233-I283 HydrophobicContact CB-CG2 4.03Å; C233-I283 VanDerWaalsContact CB-O 3.29Å; C233-I283 WeakPolarHBondContact CB-O 3.49Å
234W92.5Very high89.3Confident11 Ų1128.3 Ų28.34%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-101.1127.9169.1-149.1-56.7000109.6W187 R188 A195 V211 P236 Q239 I241W187-W234 WeakPolarHBondContact O-CB 3.41Å; R188-W234 HydrophobicContact CB-CD2 3.83Å; R188-W234 HydrophobicContact CB-CE3 4.06Å; R188-W234 HydrophobicContact CB-CG 4.32Å; R188-W234 HydrophobicContact CB-CH2 4.31Å; R188-W234 HydrophobicContact CB-CZ2 4.09Å; R188-W234 HydrophobicContact CB-CZ3 4.29Å; R188-W234 HydrophobicContact CG-CD2 4.15Å; R188-W234 HydrophobicContact CG-CG 4.43Å; R188-W234 HydrophobicContact CG-CZ2 4.04Å; A195-W234 HydrophobicContact CB-CE3 4.25Å; A195-W234 HydrophobicContact CB-CZ3 4.03Å; V211-W234 HydrophobicContact CG1-CH2 3.92Å; V211-W234 HydrophobicContact CG1-CZ3 4.21Å; W234-P236 VanDerWaalsContact O-CD 3.29Å; W234-P236 WeakPolarHBondContact O-CD 3.11Å; W234-Q239 VanDerWaalsContact NE1-CA 3.33Å; W234-Q239 PolarHBondContact NE1-O 3.22Å; W234-Q239 VanDerWaalsContact NE1-O 3.14Å; W234-I241 HydrophobicContact CD2-CG1 3.78Å; W234-I241 HydrophobicContact CE3-CD1 4.35Å; W234-I241 HydrophobicContact CE3-CG1 3.8Å; W234-I241 HydrophobicContact CG-CG1 4.47Å; W234-I241 HydrophobicContact CH2-CD1 3.8Å; W234-I241 HydrophobicContact CH2-CG1 3.88Å; W234-I241 HydrophobicContact CZ2-CD1 4.14Å; W234-I241 HydrophobicContact CZ2-CG1 3.83Å; W234-I241 HydrophobicContact CZ3-CD1 3.91Å; W234-I241 HydrophobicContact CZ3-CG1 3.86Å
235R91.9Very high89.7Confident29 Ų2925 Ų2511%0.10912%0.123CC..PPolyproline II helixtrans-75118175.2-174.1174.1-177.7-168.90.3110.4V238 Q239 L240 F285 G289R235-V238 HydrophobicContact CG-CB 4.15Å; R235-V238 HydrophobicContact CG-CG2 4.4Å; R235-Q239 PolarHBondContact O-N 3.42Å; R235-Q239 VanDerWaalsContact O-N 3.11Å; R235-L240 HydrophobicContact CB-CB 4.44Å; R235-L240 WeakPolarHBondContact CB-O 3.47Å; R235-L240 PolarHBondContact N-O 2.74Å; R235-F285 HydrophobicContact CB-CD2 3.83Å; R235-F285 HydrophobicContact CB-CE1 4.4Å; R235-F285 HydrophobicContact CB-CE2 3.63Å; R235-F285 HydrophobicContact CB-CG 4.31Å; R235-F285 HydrophobicContact CB-CZ 3.94Å; R235-F285 HydrophobicContact CG-CD1 3.92Å; R235-F285 HydrophobicContact CG-CD2 4.06Å; R235-F285 HydrophobicContact CG-CE1 3.7Å; R235-F285 HydrophobicContact CG-CE2 3.87Å; R235-F285 HydrophobicContact CG-CG 4.08Å; R235-F285 HydrophobicContact CG-CZ 3.68Å; R235-G289 PolarHBondContact NE-O 2.95Å; R235-G289 PolarHBondContact NH2-O 3.15Å
236P87.2Confident90Very high19 Ų1923.9 Ų23.912%0.12312%0.115CC..THydrogen-bonded Turntrans-59.7149177.1-22.733.9000112D189 W234 V238 F285D189-P236 HydrophobicContact CB-CB 4.13Å; W234-P236 VanDerWaalsContact O-CD 3.29Å; W234-P236 WeakPolarHBondContact O-CD 3.11Å; P236-V238 PolarHBondContact O-N 3.27Å; P236-F285 HydrophobicContact CG-CB 4.38Å
237R81.4Confident90.2Very high146 Ų14623.6 Ų23.655%0.55111%0.109SC*.THydrogen-bonded Turntrans63.6-34.7176.8-55.4173178.8163.4-4117.1D189 T288 Y346D189-R237 PolarHBondContact OD2-N 3.3Å; R237-T288 PolarHBondContact NH1-O 3.33Å; R237-Y346 PolarHBondContact NH2-O 3.33Å
238V80.7Confident89.9Confident67 Ų6728.2 Ų28.241%0.40613%0.131SC..THydrogen-bonded Turntrans-87.9-17.7177.3-170.70000110.9R235 P236 L240R235-V238 HydrophobicContact CG-CB 4.15Å; R235-V238 HydrophobicContact CG-CG2 4.4Å; P236-V238 PolarHBondContact O-N 3.27Å; V238-L240 HydrophobicContact CG1-CD1 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.01Å; V238-L240 PolarHBondContact O-N 3.09Å
239Q84.7Confident89.3Confident79 Ų7931.2 Ų31.237%0.36916%0.162SC..  trans59.828174.4-53.8-172.2-2.400114.8W234 R235W234-Q239 VanDerWaalsContact NE1-CA 3.33Å; W234-Q239 PolarHBondContact NE1-O 3.22Å; W234-Q239 VanDerWaalsContact NE1-O 3.14Å; R235-Q239 PolarHBondContact O-N 3.42Å; R235-Q239 VanDerWaalsContact O-N 3.11Å
240L92.4Very high89.1Confident14 Ų1437.3 Ų37.37%0.07318%0.184CC..  trans-94131.2173.9-66.9174.4000111.2R235 V238 F256 F257 E258 H264R235-L240 HydrophobicContact CB-CB 4.44Å; R235-L240 WeakPolarHBondContact CB-O 3.47Å; R235-L240 PolarHBondContact N-O 2.74Å; V238-L240 HydrophobicContact CG1-CD1 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.01Å; V238-L240 PolarHBondContact O-N 3.09Å; L240-F256 HydrophobicContact CB-CB 4.37Å; L240-F256 HydrophobicContact CB-CD1 4.17Å; L240-F256 HydrophobicContact CD1-CB 4.29Å; L240-F256 HydrophobicContact CD1-CD1 4.41Å; L240-F256 HydrophobicContact CD1-CG 4.43Å; L240-F257 CarbonylContact C-O 3.19Å; L240-F257 WeakPolarHBondContact CA-O 3.46Å; L240-E258 HydrophobicContact CD2-CG 3.99Å; L240-H264 HydrophobicContact CD2-CB 4.04Å
241I94.9Very high89.1Confident1 Ų137.3 Ų37.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-79130.8170.1-57.2164.7000107.6A195 V211 L232 W234 F256 F257A195-I241 HydrophobicContact CB-CD1 4.32Å; V211-I241 HydrophobicContact CG2-CD1 3.51Å; L232-I241 HydrophobicContact CD1-CG2 3.65Å; W234-I241 HydrophobicContact CD2-CG1 3.78Å; W234-I241 HydrophobicContact CE3-CD1 4.35Å; W234-I241 HydrophobicContact CE3-CG1 3.8Å; W234-I241 HydrophobicContact CG-CG1 4.47Å; W234-I241 HydrophobicContact CH2-CD1 3.8Å; W234-I241 HydrophobicContact CH2-CG1 3.88Å; W234-I241 HydrophobicContact CZ2-CD1 4.14Å; W234-I241 HydrophobicContact CZ2-CG1 3.83Å; W234-I241 HydrophobicContact CZ3-CD1 3.91Å; W234-I241 HydrophobicContact CZ3-CG1 3.86Å; I241-F256 CarbonylContact O-C 3.49Å; I241-F256 VanDerWaalsContact O-CA 3.22Å; I241-F256 WeakPolarHBondContact O-CA 3.32Å; I241-F257 HydrophobicContact CB-CB 4.25Å; I241-F257 PolarHBondContact N-O 2.85Å; I241-F257 PolarHBondContact O-N 3.29Å
242T94.9Very high89.1Confident0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-118.1137.8-173.8-51.20000109.3L232 C233 I254 I255 F256 I283 F285L232-T242 WeakPolarHBondContact CA-O 3.44Å; C233-T242 PolarHBondContact N-O 3.36Å; C233-T242 PolarHBondContact O-N 2.96Å; T242-I254 HydrophobicContact CG2-CG2 3.36Å; T242-I255 WeakPolarHBondContact CA-O 3.36Å; T242-F256 HydrophobicContact CG2-CD1 3.92Å; T242-F256 HydrophobicContact CG2-CE1 3.57Å; T242-F256 HydrophobicContact CG2-CZ 4.26Å; T242-F256 WeakPolarHBondContact OG1-CD1 3.41Å; T242-F256 VanDerWaalsContact OG1-CE1 3.24Å; T242-F256 WeakPolarHBondContact OG1-CE1 3.44Å; T242-I283 HydrophobicContact CG2-CG2 4.24Å; T242-F285 HydrophobicContact CG2-CE2 4.29Å; T242-F285 WeakPolarHBondContact OG1-CE2 3.49Å
243T94.7Very high89Confident0 Ų036.6 Ų36.60%018%0.18CC..EExtended strand (participates in β ladder)trans-151.7176.9171.7-170.70000109.5I209 I228 S229 G231 I255 F257I209-T243 HydrophobicContact CD1-CG2 3.96Å; I228-T243 HydrophobicContact CG2-CG2 3.98Å; S229-T243 PolarHBondContact O-OG1 3.28Å; S229-T243 VanDerWaalsContact O-OG1 3.12Å; G231-T243 WeakPolarHBondContact O-CA 3.29Å; T243-I255 HydrophobicContact CG2-CD1 3.78Å; T243-I255 HydrophobicContact CG2-CG1 3.55Å; T243-I255 PolarHBondContact N-O 2.87Å; T243-I255 WeakPolarHBondContact O-CG1 3.45Å; T243-I255 PolarHBondContact O-N 3.17Å; T243-F257 HydrophobicContact CG2-CD2 4.34Å; T243-F257 HydrophobicContact CG2-CE2 3.79Å
244A93.9Very high89Confident0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-104148176.500000110.8S229 L252 D253 I254 V280 I283S229-A244 PolarHBondContact N-O 2.94Å; S229-A244 WeakPolarHBondContact OG-CB 3.47Å; S229-A244 PolarHBondContact OG-O 2.78Å; A244-L252 HydrophobicContact CB-CD1 4.41Å; A244-D253 CarbonylContact C-O 3.51Å; A244-D253 VanDerWaalsContact CA-O 3.31Å; A244-D253 WeakPolarHBondContact CA-O 3.32Å; A244-I254 HydrophobicContact CB-CD1 3.94Å; A244-V280 HydrophobicContact CB-CB 4.45Å; A244-V280 HydrophobicContact CB-CG2 3.8Å; A244-I283 HydrophobicContact CB-CD1 4.28Å
245Q92.6Very high89.1Confident16 Ų1635.3 Ų35.38%0.07517%0.173CC..EExtended strand (participates in β ladder)trans-133.3126.2173.7-176.1-178.323.800109.4N226 M227 D253 I255 R263N226-Q245 PolarHBondContact O-NE2 2.89Å; M227-Q245 CarbonylContact O-C 3.57Å; M227-Q245 WeakPolarHBondContact O-CA 3.33Å; Q245-D253 PolarHBondContact N-O 3.11Å; Q245-D253 PolarHBondContact O-N 3.45Å; Q245-I255 HydrophobicContact CB-CD1 3.83Å; Q245-I255 HydrophobicContact CB-CG1 4.1Å; Q245-I255 HydrophobicContact CB-CG2 3.76Å; Q245-R263 VanDerWaalsContact OE1-CZ 3.26Å
246R90.5Very high89.2Confident6 Ų634.2 Ų34.22%0.02317%0.169CC..EExtended strand (participates in β ladder)trans-83.4134.4172.8-170174-63.6-75.25.2110.4M227 L252 E275 Y278M227-R246 HydrophobicContact CB-CB 4.2Å; M227-R246 WeakPolarHBondContact CB-O 3.46Å; M227-R246 PolarHBondContact O-N 3.29Å; R246-L252 HydrophobicContact CB-CD1 4.17Å; R246-E275 WeakPolarHBondContact CG-OE2 3.34Å; R246-E275 PolarHBondContact NH1-O 3.33Å; R246-E275 IonicContact NH1-OE2 3.68Å; R246-E275 PolarHBondContact NH1-OE2 3.49Å; R246-E275 PolarHBondContact NH2-O 2.93Å; R246-Y278 PolarHBondContact NH2-O 2.95Å
247R86.6Confident89.5Confident55 Ų5533.7 Ų33.721%0.20817%0.165CC..EExtended strand (participates in β ladder)trans-127.496.7172.8-68-175.3174154.1-13.1107.9G249 R250 G251 D253 E266R247-G249 PolarHBondContact O-N 3.34Å; R247-G249 VanDerWaalsContact O-N 3.16Å; R247-R250 HydrophobicContact CB-CB 3.9Å; R247-R250 HydrophobicContact CB-CG 4.48Å; R247-R250 VanDerWaalsContact NH1-NH2 3.11Å; R247-R250 WeakPolarHBondContact O-CA 3.33Å; R247-R250 WeakPolarHBondContact O-CB 3.44Å; R247-R250 PolarHBondContact O-N 2.83Å; R247-G251 PolarHBondContact N-O 2.92Å; R247-G251 PolarHBondContact O-N 3.19Å; R247-D253 WeakPolarHBondContact CD-OD2 3.29Å; R247-D253 IonicContact CZ-OD2 3.2Å; R247-D253 IonicContact NE-OD2 2.79Å; R247-D253 IonicContact NH1-OD2 2.76Å; R247-D253 PolarHBondContact NH1-OD2 2.9Å; R247-E266 IonicContact CZ-OE1 2.79Å; R247-E266 IonicContact CZ-OE2 3.63Å; R247-E266 IonicContact NH1-OE1 3.52Å; R247-E266 PolarHBondContact NH1-OE1 2.79Å; R247-E266 IonicContact NH1-OE2 2.75Å; R247-E266 PolarHBondContact NH1-OE2 2.91Å; R247-E266 IonicContact NH2-OE1 3.68Å; R247-E266 PolarHBondContact NH2-OE1 2.82Å; R247-E266 IonicContact NH2-OE2 3.4Å; R247-E266 PolarHBondContact NH2-OE2 2.89Å
248E80.2Confident90Very high112 Ų11229.7 Ų29.752%0.52315%0.152SC..THydrogen-bonded Turntrans-46.2120.8-173.6-69.8-172.3163.800112.7R250 E275E248-R250 PolarHBondContact O-N 3.46Å; E248-E275 WeakPolarHBondContact CA-OE1 3.47Å
249G77.4Confident90.4Very high64 Ų6428 Ų2866%0.6614%0.143SC*.THydrogen-bonded Turntrans77.1-12.2179.700000115.5R247 E275R247-G249 PolarHBondContact O-N 3.34Å; R247-G249 VanDerWaalsContact O-N 3.16Å; G249-E275 PolarHBondContact N-OE1 3.02Å
250R84.2Confident90.6Very high132 Ų13226 Ų2650%0.49814%0.135SC..THydrogen-bonded Turntrans-91.5-45.8169.7178.5175.7170.5-173-8.9111R247 E248 E266 G272R247-R250 HydrophobicContact CB-CB 3.9Å; R247-R250 HydrophobicContact CB-CG 4.48Å; R247-R250 VanDerWaalsContact NH1-NH2 3.11Å; R247-R250 WeakPolarHBondContact O-CA 3.33Å; R247-R250 WeakPolarHBondContact O-CB 3.44Å; R247-R250 PolarHBondContact O-N 2.83Å; E248-R250 PolarHBondContact O-N 3.46Å; R250-E266 IonicContact CZ-OE1 3.25Å; R250-E266 IonicContact NH1-OE1 2.8Å; R250-E266 IonicContact NH2-OE1 2.85Å; R250-E266 PolarHBondContact NH2-OE1 3.34Å; R250-G272 VanDerWaalsContact C-CA 3.46Å; R250-G272 WeakPolarHBondContact O-CA 3.47Å; R250-G272 PolarHBondContact O-N 3.13Å; R250-G272 VanDerWaalsContact O-N 3.11Å
251G88.5Confident90.3Very high0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans145.3177.6-179.400000114R247 I270 E275R247-G251 PolarHBondContact N-O 2.92Å; R247-G251 PolarHBondContact O-N 3.19Å; G251-I270 CarbonylContact C-O 3.54Å; G251-I270 WeakPolarHBondContact CA-O 3.45Å; G251-E275 VanDerWaalsContact O-OE2 3.1Å
252L91.6Very high90Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-95.7109.5172.4-176.666000108.7A244 R246 L269 I270 E275 V280A244-L252 HydrophobicContact CB-CD1 4.41Å; R246-L252 HydrophobicContact CB-CD1 4.17Å; L252-L269 HydrophobicContact CD2-CD2 4.38Å; L252-L269 WeakPolarHBondContact O-CA 3.24Å; L252-L269 VanDerWaalsContact O-CB 3.27Å; L252-L269 WeakPolarHBondContact O-CB 3.09Å; L252-L269 PolarHBondContact O-N 3.44Å; L252-I270 HydrophobicContact CB-CB 4Å; L252-I270 HydrophobicContact CB-CG1 4.33Å; L252-I270 HydrophobicContact CD2-CD1 3.69Å; L252-I270 HydrophobicContact CD2-CG1 4.14Å; L252-I270 PolarHBondContact N-O 3.06Å; L252-I270 PolarHBondContact O-N 3.46Å; L252-I270 VanDerWaalsContact O-N 3.1Å; L252-E275 HydrophobicContact CB-CB 4.09Å; L252-V280 HydrophobicContact CD2-CG2 3.73Å; L252-V280 HydrophobicContact CG-CG2 4.45Å
253D93.6Very high89.7Confident2 Ų233.2 Ų33.21%0.01117%0.165CC..EExtended strand (participates in β ladder)trans-97.3145.8-177-66.4-24.8000111.1A244 Q245 R247 I255 F267 E268A244-D253 CarbonylContact C-O 3.51Å; A244-D253 VanDerWaalsContact CA-O 3.31Å; A244-D253 WeakPolarHBondContact CA-O 3.32Å; Q245-D253 PolarHBondContact N-O 3.11Å; Q245-D253 PolarHBondContact O-N 3.45Å; R247-D253 WeakPolarHBondContact CD-OD2 3.29Å; R247-D253 IonicContact CZ-OD2 3.2Å; R247-D253 IonicContact NE-OD2 2.79Å; R247-D253 IonicContact NH1-OD2 2.76Å; R247-D253 PolarHBondContact NH1-OD2 2.9Å; D253-I255 HydrophobicContact CB-CG2 4.15Å; D253-F267 CarbonylContact C-O 3.44Å; D253-F267 VanDerWaalsContact CA-O 3.31Å; D253-F267 WeakPolarHBondContact CA-O 3.42Å; D253-E268 VanDerWaalsContact OD1-CA 3.29Å; D253-E268 WeakPolarHBondContact OD1-CA 3.24Å
254I95.3Very high89.3Confident0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-88.8130158.7-60.6-48.3000108.1T242 A244 F256 E266 F267 L269 I283 L292T242-I254 HydrophobicContact CG2-CG2 3.36Å; A244-I254 HydrophobicContact CB-CD1 3.94Å; I254-F256 HydrophobicContact CG2-CE1 4.36Å; I254-F256 HydrophobicContact CG2-CE2 4.23Å; I254-F256 HydrophobicContact CG2-CZ 3.91Å; I254-E266 CarbonylContact O-C 3.45Å; I254-E266 WeakPolarHBondContact O-CA 3.39Å; I254-F267 HydrophobicContact CB-CD1 3.98Å; I254-F267 HydrophobicContact CB-CE1 3.45Å; I254-F267 VanDerWaalsContact CB-CE1 3.45Å; I254-F267 HydrophobicContact CB-CE2 4.05Å; I254-F267 HydrophobicContact CB-CZ 3.47Å; I254-F267 VanDerWaalsContact CB-CZ 3.47Å; I254-F267 HydrophobicContact CG1-CE1 3.98Å; I254-F267 HydrophobicContact CG1-CE2 3.87Å; I254-F267 HydrophobicContact CG1-CZ 3.45Å; I254-F267 VanDerWaalsContact CG1-CZ 3.45Å; I254-F267 HydrophobicContact CG2-CD1 4.35Å; I254-F267 HydrophobicContact CG2-CE1 3.61Å; I254-F267 HydrophobicContact CG2-CZ 3.94Å; I254-F267 PolarHBondContact N-O 3.3Å; I254-F267 PolarHBondContact O-N 2.79Å; I254-L269 HydrophobicContact CD1-CB 4.47Å; I254-L269 HydrophobicContact CD1-CD2 4.14Å; I254-L269 HydrophobicContact CG1-CB 4.14Å; I254-I283 HydrophobicContact CD1-CD1 3.56Å; I254-L292 HydrophobicContact CG2-CD2 4.45Å
255I94.4Very high89.1Confident0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-122.9151.1-176.364.9160.5000110I228 T242 T243 Q245 D253 F257 E266I228-I255 HydrophobicContact CG1-CD1 4.4Å; T242-I255 WeakPolarHBondContact CA-O 3.36Å; T243-I255 HydrophobicContact CG2-CD1 3.78Å; T243-I255 HydrophobicContact CG2-CG1 3.55Å; T243-I255 PolarHBondContact N-O 2.87Å; T243-I255 WeakPolarHBondContact O-CG1 3.45Å; T243-I255 PolarHBondContact O-N 3.17Å; Q245-I255 HydrophobicContact CB-CD1 3.83Å; Q245-I255 HydrophobicContact CB-CG1 4.1Å; Q245-I255 HydrophobicContact CB-CG2 3.76Å; D253-I255 HydrophobicContact CB-CG2 4.15Å; I255-F257 HydrophobicContact CD1-CE2 3.48Å; I255-F257 VanDerWaalsContact CD1-CE2 3.48Å; I255-F257 HydrophobicContact CD1-CZ 3.64Å; I255-F257 HydrophobicContact CG1-CE2 4.1Å; I255-E266 HydrophobicContact CG2-CB 4.1Å
256F94.2Very high89.1Confident6 Ų641.7 Ų41.73%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-122.1146.9-177.5-58.3-84000111.3L240 I241 T242 I254 R263 H264 G265 F267 F285 W316L240-F256 HydrophobicContact CB-CB 4.37Å; L240-F256 HydrophobicContact CB-CD1 4.17Å; L240-F256 HydrophobicContact CD1-CB 4.29Å; L240-F256 HydrophobicContact CD1-CD1 4.41Å; L240-F256 HydrophobicContact CD1-CG 4.43Å; I241-F256 CarbonylContact O-C 3.49Å; I241-F256 VanDerWaalsContact O-CA 3.22Å; I241-F256 WeakPolarHBondContact O-CA 3.32Å; T242-F256 HydrophobicContact CG2-CD1 3.92Å; T242-F256 HydrophobicContact CG2-CE1 3.57Å; T242-F256 HydrophobicContact CG2-CZ 4.26Å; T242-F256 WeakPolarHBondContact OG1-CD1 3.41Å; T242-F256 VanDerWaalsContact OG1-CE1 3.24Å; T242-F256 WeakPolarHBondContact OG1-CE1 3.44Å; I254-F256 HydrophobicContact CG2-CE1 4.36Å; I254-F256 HydrophobicContact CG2-CE2 4.23Å; I254-F256 HydrophobicContact CG2-CZ 3.91Å; F256-R263 CarbonylContact O-C 3.57Å; F256-R263 WeakPolarHBondContact O-CA 3.47Å; F256-H264 VanDerWaalsContact CB-O 3.28Å; F256-H264 WeakPolarHBondContact CB-O 3.48Å; F256-H264 PolarHBondContact O-N 3.42Å; F256-G265 PolarHBondContact N-O 3.24Å; F256-G265 VanDerWaalsContact N-O 3.15Å; F256-F267 AromaticContact CE2-CD1 3.86Å; F256-F267 HydrophobicContact CE2-CD1 3.86Å; F256-F267 HydrophobicContact CE2-CE1 4.03Å; F256-F267 HydrophobicContact CZ-CD1 4.15Å; F256-F267 AromaticContact CZ-CE1 3.84Å; F256-F267 HydrophobicContact CZ-CE1 3.84Å; F256-F285 HydrophobicContact CE1-CZ 4.26Å; F256-W316 HydrophobicContact CE1-CZ2 4.12Å; F256-W316 HydrophobicContact CE2-CZ2 4.22Å; F256-W316 AromaticContact CE2-NE1 3.9Å; F256-W316 AromaticContact CZ-CE2 3.83Å; F256-W316 HydrophobicContact CZ-CH2 4.26Å; F256-W316 AromaticContact CZ-CZ2 3.42Å; F256-W316 HydrophobicContact CZ-CZ2 3.42Å; F256-W316 VanDerWaalsContact CZ-CZ2 3.42Å; F256-W316 AromaticContact CZ-NE1 3.97Å
257F92.9Very high89.2Confident7 Ų742.5 Ų42.53%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-127.4147.5172.9-62.2-85.7000110.3I209 T222 I228 L240 I241 T243 I255 Q262 R263I209-F257 HydrophobicContact CD1-CD2 4.37Å; I209-F257 HydrophobicContact CD1-CE2 4.21Å; T222-F257 HydrophobicContact CG2-CD1 4.12Å; T222-F257 HydrophobicContact CG2-CE1 4.13Å; T222-F257 HydrophobicContact CG2-CG 4.41Å; T222-F257 HydrophobicContact CG2-CZ 4.41Å; I228-F257 HydrophobicContact CD1-CZ 4.24Å; L240-F257 CarbonylContact C-O 3.19Å; L240-F257 WeakPolarHBondContact CA-O 3.46Å; I241-F257 HydrophobicContact CB-CB 4.25Å; I241-F257 PolarHBondContact N-O 2.85Å; I241-F257 PolarHBondContact O-N 3.29Å; T243-F257 HydrophobicContact CG2-CD2 4.34Å; T243-F257 HydrophobicContact CG2-CE2 3.79Å; I255-F257 HydrophobicContact CD1-CE2 3.48Å; I255-F257 VanDerWaalsContact CD1-CE2 3.48Å; I255-F257 HydrophobicContact CD1-CZ 3.64Å; I255-F257 HydrophobicContact CG1-CE2 4.1Å; F257-Q262 CarbonylContact C-O 3.55Å; F257-Q262 VanDerWaalsContact CA-O 3.22Å; F257-Q262 WeakPolarHBondContact CA-O 3.35Å; F257-R263 HydrophobicContact CD1-CB 4.22Å; F257-R263 HydrophobicContact CE1-CB 4.11Å
258E91.8Very high89.4Confident63 Ų6344.9 Ų44.929%0.29423%0.234SC..  trans-77.3168.6164.6-75.5175.5-162.200110.8L240 N260 S261 Q262 H264L240-E258 HydrophobicContact CD2-CG 3.99Å; E258-N260 WeakPolarHBondContact CB-OD1 3.44Å; E258-N260 PolarHBondContact O-N 3.45Å; E258-N260 PolarHBondContact OE2-ND2 3.05Å; E258-S261 WeakPolarHBondContact O-CA 3.33Å; E258-S261 PolarHBondContact O-N 3.5Å; E258-Q262 PolarHBondContact N-O 2.87Å; E258-H264 HydrophobicContact CG-CB 4.03Å; E258-H264 IonicContact OE1-CE1 3.68Å; E258-H264 IonicContact OE1-CG 2.89Å; E258-H264 IonicContact OE1-ND1 3.8Å; E258-H264 PolarHBondContact OE1-ND1 2.89Å
259S89.9Confident89.9Confident30 Ų3040.2 Ų40.221%0.2121%0.212CC..THydrogen-bonded Turntrans-61.8-22.8177.156.70000113.5F219 S220 S261F219-S259 VanDerWaalsContact CD1-O 3.23Å; F219-S259 WeakPolarHBondContact CD1-O 3.24Å; F219-S259 VanDerWaalsContact CE1-O 3.27Å; F219-S259 WeakPolarHBondContact CE1-O 3.18Å; S220-S259 WeakPolarHBondContact CB-O 3.43Å; S220-S259 PolarHBondContact OG-O 3.38Å; S259-S261 PolarHBondContact O-N 3.27Å
260N89Confident90.5Very high37 Ų3737.2 Ų37.220%0.19818%0.181CC..THydrogen-bonded Turntrans-79.78.7172.263.916.1000113.2E258 Q262E258-N260 WeakPolarHBondContact CB-OD1 3.44Å; E258-N260 PolarHBondContact O-N 3.45Å; E258-N260 PolarHBondContact OE2-ND2 3.05Å; N260-Q262 PolarHBondContact O-N 3.22Å; N260-Q262 VanDerWaalsContact OD1-CB 3.28Å; N260-Q262 WeakPolarHBondContact OD1-CB 3.21Å; N260-Q262 WeakPolarHBondContact OD1-CG 3.45Å; N260-Q262 PolarHBondContact OD1-N 3.16Å
261S86.3Confident90.6Very high7 Ų734.1 Ų34.15%0.04917%0.174CC..SBendtrans63.916.8-178-66.80000115.8S220 T221 T222 E258 S259S220-S261 PolarHBondContact OG-N 3.37Å; S220-S261 PolarHBondContact OG-OG 2.92Å; T221-S261 VanDerWaalsContact C-CB 3.41Å; T221-S261 VanDerWaalsContact C-OG 3.31Å; T221-S261 PolarHBondContact N-OG 2.88Å; T221-S261 WeakPolarHBondContact O-CB 3.33Å; T222-S261 PolarHBondContact N-OG 3.37Å; E258-S261 WeakPolarHBondContact O-CA 3.33Å; E258-S261 PolarHBondContact O-N 3.5Å; S259-S261 PolarHBondContact O-N 3.27Å
262Q87.3Confident90.3Very high72 Ų7235 Ų3534%0.33618%0.184SC..  trans-84.1140.7170.2-63.9-170.1-0.800111.4P144 F257 E258 N260P144-Q262 HydrophobicContact CB-CG 4.31Å; F257-Q262 CarbonylContact C-O 3.55Å; F257-Q262 VanDerWaalsContact CA-O 3.22Å; F257-Q262 WeakPolarHBondContact CA-O 3.35Å; E258-Q262 PolarHBondContact N-O 2.87Å; N260-Q262 PolarHBondContact O-N 3.22Å; N260-Q262 VanDerWaalsContact OD1-CB 3.28Å; N260-Q262 WeakPolarHBondContact OD1-CB 3.21Å; N260-Q262 WeakPolarHBondContact OD1-CG 3.45Å; N260-Q262 PolarHBondContact OD1-N 3.16Å
263R88.4Confident89.7Confident88 Ų8842.7 Ų42.733%0.33222%0.22SC..EExtended strand (participates in β ladder)trans-70.3130.6179.9-171.8-178.4-174125.34.2111Q245 F256 F257 E266Q245-R263 VanDerWaalsContact OE1-CZ 3.26Å; F256-R263 CarbonylContact O-C 3.57Å; F256-R263 WeakPolarHBondContact O-CA 3.47Å; F257-R263 HydrophobicContact CD1-CB 4.22Å; F257-R263 HydrophobicContact CE1-CB 4.11Å; R263-E266 IonicContact CZ-OE2 3.19Å; R263-E266 IonicContact NE-OE2 3.72Å; R263-E266 PolarHBondContact NE-OE2 2.87Å; R263-E266 IonicContact NH2-OE2 3.52Å; R263-E266 PolarHBondContact NH2-OE2 3.45Å
264H88.1Confident89.1Confident79 Ų7943.3 Ų43.337%0.36623%0.225SC..EExtended strand (participates in β ladder)trans-136.576.2-177.4-166103.2000112.3L240 F256 E258L240-H264 HydrophobicContact CD2-CB 4.04Å; F256-H264 VanDerWaalsContact CB-O 3.28Å; F256-H264 WeakPolarHBondContact CB-O 3.48Å; F256-H264 PolarHBondContact O-N 3.42Å; E258-H264 HydrophobicContact CG-CB 4.03Å; E258-H264 IonicContact OE1-CE1 3.68Å; E258-H264 IonicContact OE1-CG 2.89Å; E258-H264 IonicContact OE1-ND1 3.8Å; E258-H264 PolarHBondContact OE1-ND1 2.89Å
265G88.3Confident88.7Confident43 Ų4343.8 Ų43.844%0.44323%0.227SC..EExtended strand (participates in β ladder)trans92.7164.2175.600000114.8F256F256-G265 PolarHBondContact N-O 3.24Å; F256-G265 VanDerWaalsContact N-O 3.15Å
266E92Very high88.2Confident73 Ų7349.1 Ų49.134%0.34125%0.25SC..EExtended strand (participates in β ladder)trans-160.8160-177.461.3-172.8-14300110.8R247 R250 I254 I255 R263R247-E266 IonicContact CZ-OE1 2.79Å; R247-E266 IonicContact CZ-OE2 3.63Å; R247-E266 IonicContact NH1-OE1 3.52Å; R247-E266 PolarHBondContact NH1-OE1 2.79Å; R247-E266 IonicContact NH1-OE2 2.75Å; R247-E266 PolarHBondContact NH1-OE2 2.91Å; R247-E266 IonicContact NH2-OE1 3.68Å; R247-E266 PolarHBondContact NH2-OE1 2.82Å; R247-E266 IonicContact NH2-OE2 3.4Å; R247-E266 PolarHBondContact NH2-OE2 2.89Å; R250-E266 IonicContact CZ-OE1 3.25Å; R250-E266 IonicContact NH1-OE1 2.8Å; R250-E266 IonicContact NH2-OE1 2.85Å; R250-E266 PolarHBondContact NH2-OE1 3.34Å; I254-E266 CarbonylContact O-C 3.45Å; I254-E266 WeakPolarHBondContact O-CA 3.39Å; I255-E266 HydrophobicContact CG2-CB 4.1Å; R263-E266 IonicContact CZ-OE2 3.19Å; R263-E266 IonicContact NE-OE2 3.72Å; R263-E266 PolarHBondContact NE-OE2 2.87Å; R263-E266 IonicContact NH2-OE2 3.52Å; R263-E266 PolarHBondContact NH2-OE2 3.45Å
267F92.5Very high87.8Confident23 Ų2351.7 Ų51.710%0.10126%0.261CS..EExtended strand (participates in β ladder)trans-149.6153.2164.171.8-91.6000111.1D253 I254 F256 L269 L292 L309 W316D253-F267 CarbonylContact C-O 3.44Å; D253-F267 VanDerWaalsContact CA-O 3.31Å; D253-F267 WeakPolarHBondContact CA-O 3.42Å; I254-F267 HydrophobicContact CB-CD1 3.98Å; I254-F267 HydrophobicContact CB-CE1 3.45Å; I254-F267 VanDerWaalsContact CB-CE1 3.45Å; I254-F267 HydrophobicContact CB-CE2 4.05Å; I254-F267 HydrophobicContact CB-CZ 3.47Å; I254-F267 VanDerWaalsContact CB-CZ 3.47Å; I254-F267 HydrophobicContact CG1-CE1 3.98Å; I254-F267 HydrophobicContact CG1-CE2 3.87Å; I254-F267 HydrophobicContact CG1-CZ 3.45Å; I254-F267 VanDerWaalsContact CG1-CZ 3.45Å; I254-F267 HydrophobicContact CG2-CD1 4.35Å; I254-F267 HydrophobicContact CG2-CE1 3.61Å; I254-F267 HydrophobicContact CG2-CZ 3.94Å; I254-F267 PolarHBondContact N-O 3.3Å; I254-F267 PolarHBondContact O-N 2.79Å; F256-F267 AromaticContact CE2-CD1 3.86Å; F256-F267 HydrophobicContact CE2-CD1 3.86Å; F256-F267 HydrophobicContact CE2-CE1 4.03Å; F256-F267 HydrophobicContact CZ-CD1 4.15Å; F256-F267 AromaticContact CZ-CE1 3.84Å; F256-F267 HydrophobicContact CZ-CE1 3.84Å; F267-L269 HydrophobicContact CE2-CB 4.48Å; F267-L269 HydrophobicContact CE2-CD1 4.46Å; F267-L269 PolarHBondContact O-N 2.74Å; F267-L292 HydrophobicContact CE1-CD2 4.02Å; F267-L292 HydrophobicContact CZ-CD2 3.7Å; F267-L309 HydrophobicContact CD2-CD2 4.39Å; F267-L309 HydrophobicContact CE2-CD2 3.55Å; F267-L309 HydrophobicContact CZ-CD2 4.05Å; F267-W316 HydrophobicContact CB-CB 4.22Å; F267-W316 HydrophobicContact CB-CG 4.2Å; F267-W316 HydrophobicContact CD1-CB 4.01Å; F267-W316 AromaticContact CD1-CD1 3.22Å; F267-W316 AromaticContact CD1-CD2 3.69Å; F267-W316 HydrophobicContact CD1-CD2 3.69Å; F267-W316 AromaticContact CD1-CE2 3.74Å; F267-W316 AromaticContact CD1-CG 3.36Å; F267-W316 HydrophobicContact CD1-CG 3.36Å; F267-W316 AromaticContact CD1-NE1 3.43Å; F267-W316 HydrophobicContact CD2-CB 3.98Å; F267-W316 HydrophobicContact CD2-CG 4.22Å; F267-W316 HydrophobicContact CE1-CB 4.36Å; F267-W316 AromaticContact CE1-CD1 3.87Å; F267-W316 AromaticContact CE1-CD2 3.48Å; F267-W316 HydrophobicContact CE1-CD2 3.48Å; F267-W316 VanDerWaalsContact CE1-CD2 3.48Å; F267-W316 AromaticContact CE1-CE2 3.61Å; F267-W316 AromaticContact CE1-CE3 3.97Å; F267-W316 HydrophobicContact CE1-CE3 3.97Å; F267-W316 AromaticContact CE1-CG 3.66Å; F267-W316 HydrophobicContact CE1-CG 3.66Å; F267-W316 HydrophobicContact CE1-CZ2 4.18Å; F267-W316 HydrophobicContact CE1-CZ3 4.5Å; F267-W316 AromaticContact CE1-NE1 3.82Å; F267-W316 HydrophobicContact CE2-CB 4.38Å; F267-W316 HydrophobicContact CG-CB 3.8Å; F267-W316 AromaticContact CG-CD1 3.66Å; F267-W316 HydrophobicContact CG-CD2 4.38Å; F267-W316 AromaticContact CG-CG 3.66Å; F267-W316 HydrophobicContact CG-CG 3.66Å; F267-W316 HydrophobicContact CZ-CD2 4.07Å; F267-W316 HydrophobicContact CZ-CE3 4.19Å; F267-W316 HydrophobicContact CZ-CG 4.25Å
268E91.6Very high87.5Confident105 Ų10551.6 Ų51.649%0.49126%0.26SS..EExtended strand (participates in β ladder)trans-76.8120.1178-171.9-180102.700110.4D253 I270D253-E268 VanDerWaalsContact OD1-CA 3.29Å; D253-E268 WeakPolarHBondContact OD1-CA 3.24Å; E268-I270 WeakPolarHBondContact CG-O 3.44Å
269L91.6Very high87.4Confident13 Ų1350.7 Ų50.77%0.06826%0.256CS..EExtended strand (participates in β ladder)trans-85.3-55.7172.3-179.672.3000109.7L252 I254 F267 V294 R307 L309L252-L269 HydrophobicContact CD2-CD2 4.38Å; L252-L269 WeakPolarHBondContact O-CA 3.24Å; L252-L269 VanDerWaalsContact O-CB 3.27Å; L252-L269 WeakPolarHBondContact O-CB 3.09Å; L252-L269 PolarHBondContact O-N 3.44Å; I254-L269 HydrophobicContact CD1-CB 4.47Å; I254-L269 HydrophobicContact CD1-CD2 4.14Å; I254-L269 HydrophobicContact CG1-CB 4.14Å; F267-L269 HydrophobicContact CE2-CB 4.48Å; F267-L269 HydrophobicContact CE2-CD1 4.46Å; F267-L269 PolarHBondContact O-N 2.74Å; L269-V294 HydrophobicContact CD1-CB 4.35Å; L269-V294 HydrophobicContact CD1-CG2 4.23Å; L269-V294 HydrophobicContact CD2-CB 4.3Å; L269-V294 HydrophobicContact CD2-CG1 3.63Å; L269-R307 PolarHBondContact O-NH1 3.46Å; L269-L309 HydrophobicContact CD1-CD1 3.95Å; L269-L309 HydrophobicContact CD1-CD2 4.34Å
270I88.7Confident87.5Confident2 Ų249.4 Ų49.41%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-121.3137.5-178.2-49.1-179.1000108.3G251 L252 E268 E275 Y278 F305G251-I270 CarbonylContact C-O 3.54Å; G251-I270 WeakPolarHBondContact CA-O 3.45Å; L252-I270 HydrophobicContact CB-CB 4Å; L252-I270 HydrophobicContact CB-CG1 4.33Å; L252-I270 HydrophobicContact CD2-CD1 3.69Å; L252-I270 HydrophobicContact CD2-CG1 4.14Å; L252-I270 PolarHBondContact N-O 3.06Å; L252-I270 PolarHBondContact O-N 3.46Å; L252-I270 VanDerWaalsContact O-N 3.1Å; E268-I270 WeakPolarHBondContact CG-O 3.44Å; I270-E275 HydrophobicContact CG2-CB 4.46Å; I270-Y278 HydrophobicContact CD1-CD2 4Å; I270-Y278 HydrophobicContact CD1-CG 3.84Å; I270-Y278 HydrophobicContact CG2-CD2 4.46Å; I270-F305 HydrophobicContact CD1-CE1 4.21Å; I270-F305 HydrophobicContact CD1-CZ 3.8Å; I270-F305 HydrophobicContact CG1-CZ 4.25Å
271D86.3Confident87.7Confident66 Ų6649.7 Ų49.735%0.35325%0.247SC..EExtended strand (participates in β ladder)trans-63.2162.3177.361.715000113.4E273 S274 E275D271-E273 PolarHBondContact O-N 3.3Å; D271-S274 PolarHBondContact O-N 2.9Å; D271-S274 WeakPolarHBondContact OD1-CB 3.43Å; D271-S274 PolarHBondContact OD1-N 3.44Å; D271-S274 PolarHBondContact OD1-OG 3.39Å; D271-E275 WeakPolarHBondContact O-CB 3.49Å; D271-E275 PolarHBondContact O-N 2.94Å
272G82.2Confident87.9Confident20 Ų2050.5 Ų50.521%0.20625%0.253CS..THydrogen-bonded Turntrans-59.5-26.3-179.800000115.2R250 E275R250-G272 VanDerWaalsContact C-CA 3.46Å; R250-G272 WeakPolarHBondContact O-CA 3.47Å; R250-G272 PolarHBondContact O-N 3.13Å; R250-G272 VanDerWaalsContact O-N 3.11Å; G272-E275 WeakPolarHBondContact O-CG 3.38Å
273E79.8Confident88.3Confident160 Ų16047.3 Ų47.375%0.74824%0.238SC*.THydrogen-bonded Turntrans-78.2-39.3-178.9-64.7-169176.200112.2D271D271-E273 PolarHBondContact O-N 3.3Å
274S81.6Confident88.6Confident16 Ų1645.5 Ų45.511%0.11224%0.235CC..THydrogen-bonded Turntrans-94.9-20-173.7-48.80000113.1D271 K276 F277 Y278D271-S274 PolarHBondContact O-N 2.9Å; D271-S274 WeakPolarHBondContact OD1-CB 3.43Å; D271-S274 PolarHBondContact OD1-N 3.44Å; D271-S274 PolarHBondContact OD1-OG 3.39Å; S274-K276 PolarHBondContact O-N 3.18Å; S274-F277 WeakPolarHBondContact O-CD2 3.35Å; S274-F277 PolarHBondContact O-N 2.89Å; S274-Y278 WeakPolarHBondContact O-CD2 3.39Å
275E85.9Confident88.8Confident9 Ų942.5 Ų42.54%0.04222%0.221CC..G310 helixtrans-50.9-40.9-170.157.7144.7-168.900113.7R246 E248 G249 G251 L252 I270 D271 G272 F277 Y278R246-E275 WeakPolarHBondContact CG-OE2 3.34Å; R246-E275 PolarHBondContact NH1-O 3.33Å; R246-E275 IonicContact NH1-OE2 3.68Å; R246-E275 PolarHBondContact NH1-OE2 3.49Å; R246-E275 PolarHBondContact NH2-O 2.93Å; E248-E275 WeakPolarHBondContact CA-OE1 3.47Å; G249-E275 PolarHBondContact N-OE1 3.02Å; G251-E275 VanDerWaalsContact O-OE2 3.1Å; L252-E275 HydrophobicContact CB-CB 4.09Å; I270-E275 HydrophobicContact CG2-CB 4.46Å; D271-E275 WeakPolarHBondContact O-CB 3.49Å; D271-E275 PolarHBondContact O-N 2.94Å; G272-E275 WeakPolarHBondContact O-CG 3.38Å; E275-F277 PolarHBondContact O-N 2.87Å; E275-F277 VanDerWaalsContact O-N 3.11Å; E275-Y278 PolarHBondContact O-N 3.32Å
276K84.2Confident88.8Confident112 Ų11240.4 Ų40.449%0.48720%0.2SC..G310 helixtrans-63.4-17.7-176.365.8-170.3175-167.80114.2S274S274-K276 PolarHBondContact O-N 3.18Å
277F84.7Confident88.3Confident61 Ų6137.6 Ų37.627%0.26819%0.187SC..G310 helixtrans-92.5-9-178-58-66.5000113.5S274 E275 G298 T299 H302S274-F277 WeakPolarHBondContact O-CD2 3.35Å; S274-F277 PolarHBondContact O-N 2.89Å; E275-F277 PolarHBondContact O-N 2.87Å; E275-F277 VanDerWaalsContact O-N 3.11Å; F277-G298 CarbonylContact O-C 3.53Å; F277-T299 VanDerWaalsContact CA-OG1 3.31Å; F277-T299 WeakPolarHBondContact CA-OG1 3.33Å; F277-T299 PolarHBondContact O-N 2.92Å; F277-T299 PolarHBondContact O-OG1 3.47Å; F277-H302 HydrophobicContact CB-CB 4.35Å; F277-H302 AromaticContact CD1-CD2 3.82Å; F277-H302 AromaticContact CD1-NE2 3.84Å; F277-H302 AromaticContact CD2-CE1 3.77Å; F277-H302 AromaticContact CD2-NE2 3.44Å; F277-H302 WeakPolarHBondContact CD2-NE2 3.26Å; F277-H302 AromaticContact CE2-NE2 3.84Å; F277-H302 AromaticContact CG-CD2 3.56Å; F277-H302 AromaticContact CG-NE2 3.43Å; F277-H302 WeakPolarHBondContact CG-NE2 3.41Å
278Y87.6Confident87.7Confident4 Ų437.4 Ų37.42%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-122.8144.6-173.1-68.6-78.7000112.4R246 I270 S274 E275 C296 S297 H302 P303 F305 F450R246-Y278 PolarHBondContact NH2-O 2.95Å; I270-Y278 HydrophobicContact CD1-CD2 4Å; I270-Y278 HydrophobicContact CD1-CG 3.84Å; I270-Y278 HydrophobicContact CG2-CD2 4.46Å; S274-Y278 WeakPolarHBondContact O-CD2 3.39Å; E275-Y278 PolarHBondContact O-N 3.32Å; Y278-C296 HydrophobicContact CD1-CB 4.24Å; Y278-S297 CarbonylContact C-O 3.58Å; Y278-S297 VanDerWaalsContact CA-O 3.24Å; Y278-S297 WeakPolarHBondContact CA-O 3.35Å; Y278-S297 WeakPolarHBondContact CD1-O 3.5Å; Y278-H302 HydrophobicContact CE1-CB 3.97Å; Y278-H302 HydrophobicContact CE2-CB 4.28Å; Y278-H302 AromaticContact CE2-ND1 3.58Å; Y278-H302 AromaticContact CZ-CG 3.92Å; Y278-H302 AromaticContact CZ-ND1 3.53Å; Y278-H302 WeakPolarHBondContact OH-CB 3.27Å; Y278-H302 PolarHBondContact OH-ND1 3.44Å; Y278-P303 WeakPolarHBondContact CE1-O 3.36Å; Y278-F305 AromaticContact CD1-CD1 3.87Å; Y278-F305 HydrophobicContact CD1-CD1 3.87Å; Y278-F305 AromaticContact CD1-CE1 3.42Å; Y278-F305 HydrophobicContact CD1-CE1 3.42Å; Y278-F305 VanDerWaalsContact CD1-CE1 3.42Å; Y278-F305 HydrophobicContact CD1-CZ 4.48Å; Y278-F305 HydrophobicContact CD2-CE1 4.43Å; Y278-F305 AromaticContact CE1-CD1 3.52Å; Y278-F305 HydrophobicContact CE1-CD1 3.52Å; Y278-F305 AromaticContact CE1-CE1 3.43Å; Y278-F305 HydrophobicContact CE1-CE1 3.43Å; Y278-F305 VanDerWaalsContact CE1-CE1 3.43Å; Y278-F305 HydrophobicContact CE2-CE1 4.46Å; Y278-F305 AromaticContact CG-CE1 3.94Å; Y278-F305 HydrophobicContact CG-CE1 3.94Å; Y278-F305 AromaticContact CZ-CE1 3.98Å; Y278-F450 HydrophobicContact CE1-CE2 4.42Å; Y278-F450 HydrophobicContact CE2-CD2 4.23Å; Y278-F450 AromaticContact CE2-CE2 3.56Å; Y278-F450 HydrophobicContact CE2-CE2 3.56Å; Y278-F450 AromaticContact CZ-CE2 3.46Å; Y278-F450 VanDerWaalsContact CZ-CE2 3.46Å; Y278-F450 VanDerWaalsContact OH-CD2 3.27Å; Y278-F450 WeakPolarHBondContact OH-CD2 3.28Å; Y278-F450 WeakPolarHBondContact OH-CE2 3.48Å
279Q89.4Confident87.3Confident45 Ų4532.6 Ų32.621%0.2117%0.167CC..EExtended strand (participates in β ladder)trans-125.5141.4173.3-178.6168.8-5.500110.1C296 S297Q279-C296 CarbonylContact O-C 3.6Å; Q279-C296 WeakPolarHBondContact O-CA 3.34Å; Q279-S297 PolarHBondContact N-O 2.93Å; Q279-S297 PolarHBondContact O-N 3.15Å; Q279-S297 PolarHBondContact O-OG 2.83Å
280V92.1Very high86.9Confident2 Ų234 Ų341%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-81.1120.5179.4-178.50000109.6R182 A244 L252 I283 V294R182-V280 PolarHBondContact NH2-O 3.17Å; A244-V280 HydrophobicContact CB-CB 4.45Å; A244-V280 HydrophobicContact CB-CG2 3.8Å; L252-V280 HydrophobicContact CD2-CG2 3.73Å; L252-V280 HydrophobicContact CG-CG2 4.45Å; V280-I283 HydrophobicContact CG1-CD1 4.01Å; V280-I283 HydrophobicContact CG1-CG1 3.66Å; V280-V294 HydrophobicContact CG1-CG1 4.21Å
281E92.1Very high86.9Confident43 Ų4333.9 Ų33.920%0.20118%0.177CC..EExtended strand (participates in β ladder)trans-97.9-35.7178.7-62.2-58.9167.500112.7R182 L295 S297 W304R182-E281 IonicContact CZ-OE2 3.95Å; R182-E281 IonicContact NH1-OE2 3.38Å; R182-E281 PolarHBondContact NH1-OE2 3.38Å; R182-E281 VanDerWaalsContact NH2-C 3.34Å; R182-E281 PolarHBondContact NH2-O 2.94Å; E281-L295 HydrophobicContact CB-CB 4.33Å; E281-L295 HydrophobicContact CB-CD2 3.73Å; E281-L295 HydrophobicContact CB-CG 3.91Å; E281-L295 PolarHBondContact N-O 2.99Å; E281-S297 VanDerWaalsContact OE1-CB 3.27Å; E281-S297 WeakPolarHBondContact OE1-CB 3.43Å; E281-S297 PolarHBondContact OE1-OG 3.32Å; E281-W304 HydrophobicContact CB-CZ3 4.46Å; E281-W304 HydrophobicContact CG-CH2 4.02Å; E281-W304 HydrophobicContact CG-CZ3 3.78Å
282S92.5Very high87.3Confident25 Ų2530.8 Ų30.818%0.17516%0.161CC..EExtended strand (participates in β ladder)trans-156.1149.4173.161.60000111.9V294 L295S282-V294 WeakPolarHBondContact O-CA 3.29Å; S282-L295 PolarHBondContact N-O 2.93Å; S282-L295 PolarHBondContact O-N 3.47Å; S282-L295 VanDerWaalsContact OG-CB 3.25Å; S282-L295 WeakPolarHBondContact OG-CB 3.38Å
283I95.5Very high87.9Confident5 Ų529.8 Ų29.83%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-125.7124.5171.2-59.6-168.9000106.8G231 C233 T242 A244 I254 V280 L292 A293 V294G231-I283 WeakPolarHBondContact O-CD1 3.45Å; C233-I283 HydrophobicContact CB-CB 4.28Å; C233-I283 HydrophobicContact CB-CG2 4.03Å; C233-I283 VanDerWaalsContact CB-O 3.29Å; C233-I283 WeakPolarHBondContact CB-O 3.49Å; T242-I283 HydrophobicContact CG2-CG2 4.24Å; A244-I283 HydrophobicContact CB-CD1 4.28Å; I254-I283 HydrophobicContact CD1-CD1 3.56Å; V280-I283 HydrophobicContact CG1-CD1 4.01Å; V280-I283 HydrophobicContact CG1-CG1 3.66Å; I283-L292 HydrophobicContact CG2-CD1 3.42Å; I283-L292 VanDerWaalsContact CG2-CD1 3.42Å; I283-L292 HydrophobicContact CG2-CG 4.47Å; I283-A293 WeakPolarHBondContact CA-O 3.47Å; I283-V294 HydrophobicContact CG1-CG1 4.23Å
284L94.3Very high88.7Confident50 Ų5022.2 Ų22.226%0.26212%0.115SC..EExtended strand (participates in β ladder)trans-138.7124.4-177.5-65.4172.4000110.9A293 L339 W341L284-A293 PolarHBondContact N-O 3.23Å; L284-A293 PolarHBondContact O-N 3.14Å; L284-L339 HydrophobicContact CD1-CB 3.73Å; L284-L339 WeakPolarHBondContact CD1-O 3.04Å; L284-W341 PolarHBondContact O-NE1 3.15Å
285F92.6Very high89.3Confident15 Ų1521.5 Ų21.57%0.06611%0.11CC..EExtended strand (participates in β ladder)trans-80.2143.5166.9-85.8-79000111.3R235 P236 T242 F256 I291 L292 W316 W341R235-F285 HydrophobicContact CB-CD2 3.83Å; R235-F285 HydrophobicContact CB-CE1 4.4Å; R235-F285 HydrophobicContact CB-CE2 3.63Å; R235-F285 HydrophobicContact CB-CG 4.31Å; R235-F285 HydrophobicContact CB-CZ 3.94Å; R235-F285 HydrophobicContact CG-CD1 3.92Å; R235-F285 HydrophobicContact CG-CD2 4.06Å; R235-F285 HydrophobicContact CG-CE1 3.7Å; R235-F285 HydrophobicContact CG-CE2 3.87Å; R235-F285 HydrophobicContact CG-CG 4.08Å; R235-F285 HydrophobicContact CG-CZ 3.68Å; P236-F285 HydrophobicContact CG-CB 4.38Å; T242-F285 HydrophobicContact CG2-CE2 4.29Å; T242-F285 WeakPolarHBondContact OG1-CE2 3.49Å; F256-F285 HydrophobicContact CE1-CZ 4.26Å; F285-I291 WeakPolarHBondContact CA-O 3.4Å; F285-L292 HydrophobicContact CD1-CB 4.35Å; F285-L292 HydrophobicContact CD1-CD1 4.27Å; F285-L292 HydrophobicContact CD2-CD1 3.88Å; F285-L292 HydrophobicContact CE1-CB 3.93Å; F285-L292 HydrophobicContact CE1-CD1 4.04Å; F285-L292 HydrophobicContact CE1-CG 4.48Å; F285-L292 HydrophobicContact CE2-CD1 3.6Å; F285-L292 HydrophobicContact CG-CD1 4.2Å; F285-L292 HydrophobicContact CZ-CB 4.23Å; F285-L292 HydrophobicContact CZ-CD1 3.69Å; F285-L292 HydrophobicContact CZ-CD2 4.33Å; F285-L292 HydrophobicContact CZ-CG 4.31Å; F285-W316 AromaticContact CE1-CH2 3.72Å; F285-W316 HydrophobicContact CE1-CH2 3.72Å; F285-W316 HydrophobicContact CE1-CZ3 4.45Å; F285-W316 AromaticContact CZ-CH2 3.74Å; F285-W316 HydrophobicContact CZ-CH2 3.74Å; F285-W316 HydrophobicContact CZ-CZ2 4.43Å; F285-W341 VanDerWaalsContact C-CD1 3.48Å; F285-W341 PolarHBondContact O-NE1 3.08Å
286S88.1Confident89.5Confident0 Ų021 Ų210%011%0.108CC..  trans-60.6154.3164670000109.9T288 G289 S290 I291S286-T288 PolarHBondContact O-N 3.09Å; S286-T288 PolarHBondContact OG-OG1 3.35Å; S286-G289 WeakPolarHBondContact O-CA 3.42Å; S286-G289 PolarHBondContact O-N 2.97Å; S286-S290 PolarHBondContact OG-N 3.43Å; S286-S290 PolarHBondContact OG-OG 3.02Å; S286-I291 PolarHBondContact N-O 2.89Å; S286-I291 PolarHBondContact OG-N 3.47Å; S286-I291 VanDerWaalsContact OG-N 3.16Å
287P81.4Confident89.8Confident13 Ų1316.2 Ų16.28%0.0849%0.089CC..THydrogen-bonded Turntrans-56.4-26.1-178.4-2429.4000113.9G289 W341 D342 H343 Y346P287-G289 VanDerWaalsContact C-N 3.34Å; P287-W341 HydrophobicContact CG-CB 4.44Å; P287-D342 VanDerWaalsContact CG-O 3.29Å; P287-D342 WeakPolarHBondContact CG-O 3.19Å; P287-H343 HydrophobicContact CG-CB 4.45Å; P287-Y346 HydrophobicContact CB-CD1 4.31Å; P287-Y346 HydrophobicContact CB-CE1 4.06Å
288T78.7Confident89.7Confident20 Ų2014.1 Ų14.112%0.1238%0.084CC..THydrogen-bonded Turntrans-80.1-13.3176.557.90000113.9R237 S286 S290 A345R237-T288 PolarHBondContact NH1-O 3.33Å; S286-T288 PolarHBondContact O-N 3.09Å; S286-T288 PolarHBondContact OG-OG1 3.35Å; T288-S290 VanDerWaalsContact C-N 3.27Å; T288-S290 PolarHBondContact O-N 3.24Å; T288-S290 PolarHBondContact OG1-OG 3.04Å; T288-A345 VanDerWaalsContact CG2-O 3.27Å; T288-A345 WeakPolarHBondContact CG2-O 3.48Å
289G85Confident89.3Confident4 Ų416.9 Ų16.94%0.04110%0.101CC..SBendtrans74.412.7-174.900000114.6R235 S286 P287R235-G289 PolarHBondContact NE-O 2.95Å; R235-G289 PolarHBondContact NH2-O 3.15Å; S286-G289 WeakPolarHBondContact O-CA 3.42Å; S286-G289 PolarHBondContact O-N 2.97Å; P287-G289 VanDerWaalsContact C-N 3.34Å
290S81.7Confident88.1Confident42 Ų4223 Ų2329%0.29413%0.13SC..SBendtrans-92.2-29.4-173.261.60000114.2S286 T288S286-S290 PolarHBondContact OG-N 3.43Å; S286-S290 PolarHBondContact OG-OG 3.02Å; T288-S290 VanDerWaalsContact C-N 3.27Å; T288-S290 PolarHBondContact O-N 3.24Å; T288-S290 PolarHBondContact OG1-OG 3.04Å
291I89.8Confident86.9Confident0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-121134.3-178.8-51.8167.5000108.3L4 F285 S286 L308 L309 T310 W341 S351L4-I291 HydrophobicContact CD1-CD1 4.13Å; L4-I291 HydrophobicContact CD1-CG1 4.3Å; L4-I291 HydrophobicContact CD1-CG2 3.96Å; L4-I291 HydrophobicContact CD2-CD1 3.52Å; L4-I291 HydrophobicContact CD2-CG1 4.18Å; L4-I291 HydrophobicContact CG-CD1 4.49Å; F285-I291 WeakPolarHBondContact CA-O 3.4Å; S286-I291 PolarHBondContact N-O 2.89Å; S286-I291 PolarHBondContact OG-N 3.47Å; S286-I291 VanDerWaalsContact OG-N 3.16Å; I291-L308 HydrophobicContact CG2-CB 4.13Å; I291-L309 CarbonylContact C-O 3.51Å; I291-L309 WeakPolarHBondContact CA-O 3.28Å; I291-T310 HydrophobicContact CG1-CG2 4.05Å; I291-W341 HydrophobicContact CB-CH2 4.19Å; I291-W341 HydrophobicContact CB-CZ2 4.21Å; I291-W341 HydrophobicContact CD1-CH2 4.26Å; I291-W341 HydrophobicContact CG2-CH2 3.8Å; I291-W341 HydrophobicContact CG2-CZ2 3.86Å; I291-S351 VanDerWaalsContact CD1-OG 3.32Å; I291-S351 WeakPolarHBondContact CD1-OG 3.31Å
292L94.1Very high86.2Confident0 Ų027.9 Ų27.90%016%0.156CC..EExtended strand (participates in β ladder)trans-107120.4171.6178.661.8000108.7I254 F267 I283 F285 V294 L308 L309 W316I254-L292 HydrophobicContact CG2-CD2 4.45Å; F267-L292 HydrophobicContact CE1-CD2 4.02Å; F267-L292 HydrophobicContact CZ-CD2 3.7Å; I283-L292 HydrophobicContact CG2-CD1 3.42Å; I283-L292 VanDerWaalsContact CG2-CD1 3.42Å; I283-L292 HydrophobicContact CG2-CG 4.47Å; F285-L292 HydrophobicContact CD1-CB 4.35Å; F285-L292 HydrophobicContact CD1-CD1 4.27Å; F285-L292 HydrophobicContact CD2-CD1 3.88Å; F285-L292 HydrophobicContact CE1-CB 3.93Å; F285-L292 HydrophobicContact CE1-CD1 4.04Å; F285-L292 HydrophobicContact CE1-CG 4.48Å; F285-L292 HydrophobicContact CE2-CD1 3.6Å; F285-L292 HydrophobicContact CG-CD1 4.2Å; F285-L292 HydrophobicContact CZ-CB 4.23Å; F285-L292 HydrophobicContact CZ-CD1 3.69Å; F285-L292 HydrophobicContact CZ-CD2 4.33Å; F285-L292 HydrophobicContact CZ-CG 4.31Å; L292-V294 HydrophobicContact CD2-CG2 4.2Å; L292-V294 HydrophobicContact CG-CG2 3.97Å; L292-L308 CarbonylContact O-C 3.55Å; L292-L308 WeakPolarHBondContact O-CA 3.47Å; L292-L309 HydrophobicContact CB-CB 4.44Å; L292-L309 PolarHBondContact N-O 2.98Å; L292-L309 PolarHBondContact O-N 3.42Å; L292-W316 HydrophobicContact CB-CH2 4.11Å; L292-W316 HydrophobicContact CB-CZ3 3.6Å; L292-W316 HydrophobicContact CD2-CE3 4.4Å; L292-W316 HydrophobicContact CD2-CH2 4.03Å; L292-W316 HydrophobicContact CD2-CZ3 3.81Å; L292-W316 HydrophobicContact CG-CZ3 4.38Å
293A94.9Very high85.6Confident0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-96.1130.7168.200000109.8I283 L284 R307 L308 W341 L353I283-A293 WeakPolarHBondContact CA-O 3.47Å; L284-A293 PolarHBondContact N-O 3.23Å; L284-A293 PolarHBondContact O-N 3.14Å; A293-R307 WeakPolarHBondContact CA-O 3.46Å; A293-L308 HydrophobicContact CB-CD2 3.53Å; A293-W341 HydrophobicContact CB-CZ2 3.77Å; A293-L353 HydrophobicContact CB-CD1 4.43Å
294V95.6Very high85.2Confident0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-124.9120.3173.2-172.20000109.3L269 V280 S282 I283 L292 I306 R307 L309L269-V294 HydrophobicContact CD1-CB 4.35Å; L269-V294 HydrophobicContact CD1-CG2 4.23Å; L269-V294 HydrophobicContact CD2-CB 4.3Å; L269-V294 HydrophobicContact CD2-CG1 3.63Å; V280-V294 HydrophobicContact CG1-CG1 4.21Å; S282-V294 WeakPolarHBondContact O-CA 3.29Å; I283-V294 HydrophobicContact CG1-CG1 4.23Å; L292-V294 HydrophobicContact CD2-CG2 4.2Å; L292-V294 HydrophobicContact CG-CG2 3.97Å; V294-I306 CarbonylContact O-C 3.58Å; V294-I306 WeakPolarHBondContact O-CA 3.4Å; V294-R307 PolarHBondContact N-O 3.03Å; V294-R307 PolarHBondContact O-N 2.98Å; V294-L309 HydrophobicContact CG2-CD1 4.07Å
295L94.4Very high84.8Confident1 Ų126.3 Ų26.31%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-93126.3171.6-177.665.4000109.3E281 S282 W304 F305 I306 I324 V337 L339E281-L295 HydrophobicContact CB-CB 4.33Å; E281-L295 HydrophobicContact CB-CD2 3.73Å; E281-L295 HydrophobicContact CB-CG 3.91Å; E281-L295 PolarHBondContact N-O 2.99Å; S282-L295 PolarHBondContact N-O 2.93Å; S282-L295 PolarHBondContact O-N 3.47Å; S282-L295 VanDerWaalsContact OG-CB 3.25Å; S282-L295 WeakPolarHBondContact OG-CB 3.38Å; L295-W304 HydrophobicContact CD1-CE3 4.16Å; L295-W304 HydrophobicContact CD2-CZ3 4.25Å; L295-W304 HydrophobicContact CG-CE3 4.39Å; L295-W304 HydrophobicContact CG-CZ3 4.46Å; L295-F305 WeakPolarHBondContact CA-O 3.06Å; L295-I306 HydrophobicContact CD1-CG1 3.73Å; L295-I324 HydrophobicContact CD1-CD1 4.46Å; L295-V337 HydrophobicContact CD1-CB 4.34Å; L295-V337 HydrophobicContact CD1-CG1 3.87Å; L295-V337 HydrophobicContact CD2-CB 3.99Å; L295-V337 HydrophobicContact CD2-CG1 3.94Å; L295-L339 HydrophobicContact CB-CD1 3.67Å; L295-L339 HydrophobicContact CB-CG 4.43Å; L295-L339 HydrophobicContact CD1-CD1 4.34Å; L295-L339 HydrophobicContact CD2-CD1 4.38Å; L295-L339 HydrophobicContact CD2-CG 4.26Å; L295-L339 HydrophobicContact CG-CD1 4.35Å
296C91.7Very high84.7Confident0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-122133.1173-64.70000110.5Y278 Q279 W304 F305Y278-C296 HydrophobicContact CD1-CB 4.24Å; Q279-C296 CarbonylContact O-C 3.6Å; Q279-C296 WeakPolarHBondContact O-CA 3.34Å; C296-W304 CarbonylContact O-C 3.59Å; C296-W304 WeakPolarHBondContact O-CA 3.37Å; C296-F305 HydrophobicContact CB-CD1 4.05Å; C296-F305 HydrophobicContact CB-CD2 4.17Å; C296-F305 HydrophobicContact CB-CE1 3.61Å; C296-F305 HydrophobicContact CB-CE2 3.73Å; C296-F305 HydrophobicContact CB-CG 4.32Å; C296-F305 HydrophobicContact CB-CZ 3.45Å; C296-F305 VanDerWaalsContact CB-CZ 3.45Å; C296-F305 PolarHBondContact N-O 3.4Å; C296-F305 PolarHBondContact O-N 2.81Å; C296-F305 VanDerWaalsContact SG-CZ 3.51Å
297S88.8Confident84.9Confident11 Ų1126.9 Ų26.98%0.07715%0.147CC..EExtended strand (participates in β ladder)trans-84.7143.2165.6600000109.6Y278 Q279 E281 W304Y278-S297 CarbonylContact C-O 3.58Å; Y278-S297 VanDerWaalsContact CA-O 3.24Å; Y278-S297 WeakPolarHBondContact CA-O 3.35Å; Y278-S297 WeakPolarHBondContact CD1-O 3.5Å; Q279-S297 PolarHBondContact N-O 2.93Å; Q279-S297 PolarHBondContact O-N 3.15Å; Q279-S297 PolarHBondContact O-OG 2.83Å; E281-S297 VanDerWaalsContact OE1-CB 3.27Å; E281-S297 WeakPolarHBondContact OE1-CB 3.43Å; E281-S297 PolarHBondContact OE1-OG 3.32Å; S297-W304 VanDerWaalsContact CB-CE2 3.46Å; S297-W304 VanDerWaalsContact CB-CZ2 3.5Å
298G83.7Confident85.5Confident17 Ų1726.3 Ų26.318%0.17514%0.143CC..EExtended strand (participates in β ladder)trans-107.5152.6177.600000111.9F277 H302F277-G298 CarbonylContact O-C 3.53Å; G298-H302 CarbonylContact C-O 3.6Å; G298-H302 VanDerWaalsContact CA-O 3.28Å; G298-H302 WeakPolarHBondContact CA-O 3.36Å
299T79.1Confident86.2Confident62 Ų6225.5 Ų25.538%0.3814%0.138SC..  trans-111.2152.5177.157.70000111.6F277 N301 H302F277-T299 VanDerWaalsContact CA-OG1 3.31Å; F277-T299 WeakPolarHBondContact CA-OG1 3.33Å; F277-T299 PolarHBondContact O-N 2.92Å; F277-T299 PolarHBondContact O-OG1 3.47Å; T299-N301 PolarHBondContact O-N 3.37Å; T299-H302 VanDerWaalsContact O-CB 3.31Å; T299-H302 WeakPolarHBondContact O-CB 3.11Å; T299-H302 PolarHBondContact O-CD2 3.38Å; T299-H302 PolarHBondContact O-N 3.07Å
300Q63.8Low86.4Confident173 Ų17325.9 Ų25.981%0.80814%0.14SC*.THydrogen-bonded Turntrans37.569.4165.3-62-176.74.300114.6
301N68.1Low86.7Confident123 Ų12325.3 Ų25.366%0.65814%0.135SC*.THydrogen-bonded Turntrans87.3-9.8-179-48.1-40.4000116.3T299 C448T299-N301 PolarHBondContact O-N 3.37Å; N301-C448 PolarHBondContact O-SG 2.82Å
302H76.7Confident86.3Confident24 Ų2426 Ų2611%0.11114%0.14CC..PPolyproline II helixtrans-84.2126173.2-70.9-93.4000111.1F277 Y278 G298 T299 C448F277-H302 HydrophobicContact CB-CB 4.35Å; F277-H302 AromaticContact CD1-CD2 3.82Å; F277-H302 AromaticContact CD1-NE2 3.84Å; F277-H302 AromaticContact CD2-CE1 3.77Å; F277-H302 AromaticContact CD2-NE2 3.44Å; F277-H302 WeakPolarHBondContact CD2-NE2 3.26Å; F277-H302 AromaticContact CE2-NE2 3.84Å; F277-H302 AromaticContact CG-CD2 3.56Å; F277-H302 AromaticContact CG-NE2 3.43Å; F277-H302 WeakPolarHBondContact CG-NE2 3.41Å; Y278-H302 HydrophobicContact CE1-CB 3.97Å; Y278-H302 HydrophobicContact CE2-CB 4.28Å; Y278-H302 AromaticContact CE2-ND1 3.58Å; Y278-H302 AromaticContact CZ-CG 3.92Å; Y278-H302 AromaticContact CZ-ND1 3.53Å; Y278-H302 WeakPolarHBondContact OH-CB 3.27Å; Y278-H302 PolarHBondContact OH-ND1 3.44Å; G298-H302 CarbonylContact C-O 3.6Å; G298-H302 VanDerWaalsContact CA-O 3.28Å; G298-H302 WeakPolarHBondContact CA-O 3.36Å; T299-H302 VanDerWaalsContact O-CB 3.31Å; T299-H302 WeakPolarHBondContact O-CB 3.11Å; T299-H302 PolarHBondContact O-CD2 3.38Å; T299-H302 PolarHBondContact O-N 3.07Å; H302-C448 VanDerWaalsContact CA-SG 3.54Å; H302-C448 VanDerWaalsContact CD2-SG 3.53Å; H302-C448 PolarHBondContact CE1-SG 2.88Å; H302-C448 PolarHBondContact ND1-SG 2.98Å
303P79.8Confident85.7Confident17 Ų1728.5 Ų28.511%0.1115%0.153CC..PPolyproline II helixtrans-74.9160.4-179.231.4-35.5000111.5Y278Y278-P303 WeakPolarHBondContact CE1-O 3.36Å
304W86.2Confident85.1Confident29 Ų2937.3 Ų37.311%0.1119%0.188CC..EExtended strand (participates in β ladder)trans-65.5151.7166.4-74.459.1000109.7E281 L295 C296 S297 I324 I334 V337E281-W304 HydrophobicContact CB-CZ3 4.46Å; E281-W304 HydrophobicContact CG-CH2 4.02Å; E281-W304 HydrophobicContact CG-CZ3 3.78Å; L295-W304 HydrophobicContact CD1-CE3 4.16Å; L295-W304 HydrophobicContact CD2-CZ3 4.25Å; L295-W304 HydrophobicContact CG-CE3 4.39Å; L295-W304 HydrophobicContact CG-CZ3 4.46Å; C296-W304 CarbonylContact O-C 3.59Å; C296-W304 WeakPolarHBondContact O-CA 3.37Å; S297-W304 VanDerWaalsContact CB-CE2 3.46Å; S297-W304 VanDerWaalsContact CB-CZ2 3.5Å; W304-I324 HydrophobicContact CB-CB 3.95Å; W304-I324 HydrophobicContact CB-CD1 4.46Å; W304-I324 PolarHBondContact N-O 3.36Å; W304-I324 PolarHBondContact O-N 3.23Å; W304-I334 HydrophobicContact CD2-CG2 4.32Å; W304-I334 HydrophobicContact CG-CD1 4.45Å; W304-I334 HydrophobicContact CZ2-CG2 4.4Å; W304-V337 HydrophobicContact CD2-CG2 4.18Å; W304-V337 HydrophobicContact CE3-CB 3.84Å; W304-V337 HydrophobicContact CE3-CG2 3.55Å; W304-V337 HydrophobicContact CH2-CG2 4.42Å; W304-V337 HydrophobicContact CZ3-CB 3.64Å; W304-V337 HydrophobicContact CZ3-CG2 3.69Å
305F87.1Confident84.8Confident1 Ų140.7 Ų40.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-147.7157.9173.771.3-106.2000113.7I270 Y278 L295 C296 R307 H321 F322 F450I270-F305 HydrophobicContact CD1-CE1 4.21Å; I270-F305 HydrophobicContact CD1-CZ 3.8Å; I270-F305 HydrophobicContact CG1-CZ 4.25Å; Y278-F305 AromaticContact CD1-CD1 3.87Å; Y278-F305 HydrophobicContact CD1-CD1 3.87Å; Y278-F305 AromaticContact CD1-CE1 3.42Å; Y278-F305 HydrophobicContact CD1-CE1 3.42Å; Y278-F305 VanDerWaalsContact CD1-CE1 3.42Å; Y278-F305 HydrophobicContact CD1-CZ 4.48Å; Y278-F305 HydrophobicContact CD2-CE1 4.43Å; Y278-F305 AromaticContact CE1-CD1 3.52Å; Y278-F305 HydrophobicContact CE1-CD1 3.52Å; Y278-F305 AromaticContact CE1-CE1 3.43Å; Y278-F305 HydrophobicContact CE1-CE1 3.43Å; Y278-F305 VanDerWaalsContact CE1-CE1 3.43Å; Y278-F305 HydrophobicContact CE2-CE1 4.46Å; Y278-F305 AromaticContact CG-CE1 3.94Å; Y278-F305 HydrophobicContact CG-CE1 3.94Å; Y278-F305 AromaticContact CZ-CE1 3.98Å; L295-F305 WeakPolarHBondContact CA-O 3.06Å; C296-F305 HydrophobicContact CB-CD1 4.05Å; C296-F305 HydrophobicContact CB-CD2 4.17Å; C296-F305 HydrophobicContact CB-CE1 3.61Å; C296-F305 HydrophobicContact CB-CE2 3.73Å; C296-F305 HydrophobicContact CB-CG 4.32Å; C296-F305 HydrophobicContact CB-CZ 3.45Å; C296-F305 VanDerWaalsContact CB-CZ 3.45Å; C296-F305 PolarHBondContact N-O 3.4Å; C296-F305 PolarHBondContact O-N 2.81Å; C296-F305 VanDerWaalsContact SG-CZ 3.51Å; F305-R307 HydrophobicContact CD2-CB 4.38Å; F305-R307 HydrophobicContact CD2-CG 3.75Å; F305-R307 HydrophobicContact CE2-CB 4.21Å; F305-R307 HydrophobicContact CE2-CG 3.64Å; F305-H321 VanDerWaalsContact CB-CE1 3.48Å; F305-H321 WeakPolarHBondContact CB-CE1 3.5Å; F305-H321 AromaticContact CD2-CE1 3.54Å; F305-H321 AromaticContact CD2-ND1 3.94Å; F305-H321 AromaticContact CG-CE1 3.42Å; F305-H321 VanDerWaalsContact CG-CE1 3.42Å; F305-H321 WeakPolarHBondContact CG-CE1 3.49Å; F305-F322 CarbonylContact C-O 3.57Å; F305-F322 WeakPolarHBondContact CA-O 3.37Å; F305-F322 WeakPolarHBondContact CB-O 3.02Å; F305-F450 HydrophobicContact CD1-CZ 4.09Å; F305-F450 HydrophobicContact CE1-CE2 4.28Å; F305-F450 AromaticContact CE1-CZ 3.81Å; F305-F450 HydrophobicContact CE1-CZ 3.81Å; F305-F450 HydrophobicContact CZ-CZ 4.38Å
306I90.7Very high84.6Confident0 Ų042.2 Ų42.20%021%0.209CC..EExtended strand (participates in β ladder)trans-115.8125.6167.8-53.9163.3000107.9V294 L295 L308 H321 F322 I324 L339 L353 C355 W378V294-I306 CarbonylContact O-C 3.58Å; V294-I306 WeakPolarHBondContact O-CA 3.4Å; L295-I306 HydrophobicContact CD1-CG1 3.73Å; I306-L308 HydrophobicContact CG2-CD2 4Å; I306-H321 WeakPolarHBondContact O-CA 3.39Å; I306-F322 HydrophobicContact CB-CB 4.26Å; I306-F322 HydrophobicContact CB-CD2 4.24Å; I306-F322 HydrophobicContact CG2-CD2 4.41Å; I306-F322 PolarHBondContact N-O 2.73Å; I306-F322 PolarHBondContact O-N 3.37Å; I306-I324 HydrophobicContact CD1-CD1 4.09Å; I306-I324 HydrophobicContact CG1-CD1 4.21Å; I306-L339 HydrophobicContact CD1-CD1 4.41Å; I306-L339 HydrophobicContact CD1-CD2 3.62Å; I306-L339 HydrophobicContact CG1-CD1 4.22Å; I306-L339 HydrophobicContact CG1-CD2 4.26Å; I306-L339 HydrophobicContact CG2-CD1 4.17Å; I306-L353 HydrophobicContact CG2-CD2 4.1Å; I306-C355 HydrophobicContact CD1-CB 4.3Å; I306-W378 HydrophobicContact CD1-CH2 3.62Å; I306-W378 HydrophobicContact CD1-CZ3 3.57Å
307R91.4Very high84.5Confident28 Ų2842.3 Ų42.311%0.10621%0.21CC..EExtended strand (participates in β ladder)trans-108.5133.1170.2-83.2178.6-172.9168-7.2110.4L269 A293 V294 F305 L309 T318 H321L269-R307 PolarHBondContact O-NH1 3.46Å; A293-R307 WeakPolarHBondContact CA-O 3.46Å; V294-R307 PolarHBondContact N-O 3.03Å; V294-R307 PolarHBondContact O-N 2.98Å; F305-R307 HydrophobicContact CD2-CB 4.38Å; F305-R307 HydrophobicContact CD2-CG 3.75Å; F305-R307 HydrophobicContact CE2-CB 4.21Å; F305-R307 HydrophobicContact CE2-CG 3.64Å; R307-L309 HydrophobicContact CB-CD1 3.98Å; R307-T318 HydrophobicContact CG-CG2 4.26Å; R307-H321 WeakPolarHBondContact CG-ND1 3.37Å
308L93.4Very high84.7Confident0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-107.8119.1171.7-53.3-172.5000109.3L4 I291 L292 A293 I306 K319 Q320 F322 W341 L353 M380L4-L308 HydrophobicContact CD1-CB 3.92Å; L4-L308 HydrophobicContact CD1-CD1 4.28Å; I291-L308 HydrophobicContact CG2-CB 4.13Å; L292-L308 CarbonylContact O-C 3.55Å; L292-L308 WeakPolarHBondContact O-CA 3.47Å; A293-L308 HydrophobicContact CB-CD2 3.53Å; I306-L308 HydrophobicContact CG2-CD2 4Å; L308-K319 PolarHBondContact O-N 2.88Å; L308-Q320 HydrophobicContact CB-CB 4.06Å; L308-Q320 HydrophobicContact CD1-CB 4.03Å; L308-Q320 HydrophobicContact CG-CB 4.17Å; L308-Q320 PolarHBondContact N-O 2.68Å; L308-Q320 PolarHBondContact O-N 3.26Å; L308-F322 HydrophobicContact CD1-CE2 3.78Å; L308-F322 HydrophobicContact CG-CE2 4.24Å; L308-W341 HydrophobicContact CD2-CH2 4.35Å; L308-W341 HydrophobicContact CD2-CZ2 4.3Å; L308-L353 HydrophobicContact CD2-CD2 3.94Å; L308-M380 HydrophobicContact CD1-CE 3.63Å; L308-M380 HydrophobicContact CD1-SD 3.12Å; L308-M380 WeakPolarHBondContact CD1-SD 3.46Å
309L93.7Very high85Confident4 Ų442.1 Ų42.12%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-116.4145.4-179.1-54.497.8000110.4F267 L269 I291 L292 V294 R307 W316 S317F267-L309 HydrophobicContact CD2-CD2 4.39Å; F267-L309 HydrophobicContact CE2-CD2 3.55Å; F267-L309 HydrophobicContact CZ-CD2 4.05Å; L269-L309 HydrophobicContact CD1-CD1 3.95Å; L269-L309 HydrophobicContact CD1-CD2 4.34Å; I291-L309 CarbonylContact C-O 3.51Å; I291-L309 WeakPolarHBondContact CA-O 3.28Å; L292-L309 HydrophobicContact CB-CB 4.44Å; L292-L309 PolarHBondContact N-O 2.98Å; L292-L309 PolarHBondContact O-N 3.42Å; V294-L309 HydrophobicContact CG2-CD1 4.07Å; R307-L309 HydrophobicContact CB-CD1 3.98Å; L309-W316 HydrophobicContact CB-CE3 3.89Å; L309-W316 HydrophobicContact CB-CZ3 4.33Å; L309-S317 VanDerWaalsContact CA-O 3.26Å; L309-S317 WeakPolarHBondContact CA-O 3.32Å
310T90.8Very high85.4Confident12 Ų1239.4 Ų39.47%0.07419%0.188CC..EExtended strand (participates in β ladder)trans-122153.4171.161.20000110.2M1 L4 I291 W316 S317 K319M1-T310 PolarHBondContact SD-OG1 3.09Å; M1-T310 VanDerWaalsContact SD-OG1 3.42Å; L4-T310 HydrophobicContact CD1-CG2 4.15Å; L4-T310 HydrophobicContact CG-CG2 4.4Å; I291-T310 HydrophobicContact CG1-CG2 4.05Å; T310-W316 WeakPolarHBondContact O-CA 3.33Å; T310-S317 PolarHBondContact N-O 3.41Å; T310-S317 PolarHBondContact O-N 3.47Å; T310-K319 HydrophobicContact CG2-CG 3.86Å; T310-K319 WeakPolarHBondContact OG1-CE 3.16Å; T310-K319 VanDerWaalsContact OG1-CG 3.26Å; T310-K319 WeakPolarHBondContact OG1-CG 3.37Å
311C86.8Confident86.4Confident30 Ų3032 Ų3220%0.20315%0.154CC..EExtended strand (participates in β ladder)trans-117.5132-178.8-1750000110.3Q315 W316C311-Q315 WeakPolarHBondContact CA-O 3.33Å; C311-W316 HydrophobicContact CB-CD2 3.8Å; C311-W316 HydrophobicContact CB-CE3 3.87Å; C311-W316 HydrophobicContact CB-CG 4.47Å; C311-W316 HydrophobicContact CB-CH2 3.93Å; C311-W316 HydrophobicContact CB-CZ2 3.84Å; C311-W316 HydrophobicContact CB-CZ3 3.93Å
312S81.4Confident87.1Confident15 Ų1527 Ų2711%0.10513%0.126CC..EExtended strand (participates in β ladder)trans-143.7134170.1-179.50000108.6Y314 Q315S312-Y314 PolarHBondContact O-N 3.29Å; S312-Q315 PolarHBondContact N-O 3.3Å; S312-Q315 PolarHBondContact O-N 3.13Å
313N82.3Confident87.2Confident51 Ų5127.5 Ų27.527%0.27313%0.132SC..THydrogen-bonded Turntrans50.241.7-175.5-61.5-20.6000112.4Q315 P426 R858 G859N313-Q315 PolarHBondContact O-N 3.32Å; N313-P426 PolarHBondContact ND2-O 3.07Å; N313-R858 PolarHBondContact OD1-O 3.07Å; N313-G859 WeakPolarHBondContact OD1-CA 3.39Å
314Y82.5Confident87.1Confident185 Ų18526.9 Ų26.973%0.72513%0.128SC*.THydrogen-bonded Turntrans60.74.5-176.5-65.5-88.9000116.4S312S312-Y314 PolarHBondContact O-N 3.29Å
315Q87.5Confident86Confident72 Ų7226.7 Ų26.734%0.33613%0.132SC..EExtended strand (participates in β ladder)trans-93.2129.1170.8-174.3160-27.400110.2M1 C311 S312 N313 P427M1-Q315 WeakPolarHBondContact CE-O 3.37Å; C311-Q315 WeakPolarHBondContact CA-O 3.33Å; S312-Q315 PolarHBondContact N-O 3.3Å; S312-Q315 PolarHBondContact O-N 3.13Å; N313-Q315 PolarHBondContact O-N 3.32Å; Q315-P427 HydrophobicContact CB-CB 3.81Å; Q315-P427 HydrophobicContact CB-CG 3.99Å; Q315-P427 HydrophobicContact CG-CB 4Å; Q315-P427 HydrophobicContact CG-CG 4.42Å
316W90.6Very high84.6Confident32 Ų3230.2 Ų30.212%0.12115%0.151CC..EExtended strand (participates in β ladder)trans-90.1141174.7-7088.3000110.3F256 F267 F285 L292 L309 T310 C311F256-W316 HydrophobicContact CE1-CZ2 4.12Å; F256-W316 HydrophobicContact CE2-CZ2 4.22Å; F256-W316 AromaticContact CE2-NE1 3.9Å; F256-W316 AromaticContact CZ-CE2 3.83Å; F256-W316 HydrophobicContact CZ-CH2 4.26Å; F256-W316 AromaticContact CZ-CZ2 3.42Å; F256-W316 HydrophobicContact CZ-CZ2 3.42Å; F256-W316 VanDerWaalsContact CZ-CZ2 3.42Å; F256-W316 AromaticContact CZ-NE1 3.97Å; F267-W316 HydrophobicContact CB-CB 4.22Å; F267-W316 HydrophobicContact CB-CG 4.2Å; F267-W316 HydrophobicContact CD1-CB 4.01Å; F267-W316 AromaticContact CD1-CD1 3.22Å; F267-W316 AromaticContact CD1-CD2 3.69Å; F267-W316 HydrophobicContact CD1-CD2 3.69Å; F267-W316 AromaticContact CD1-CE2 3.74Å; F267-W316 AromaticContact CD1-CG 3.36Å; F267-W316 HydrophobicContact CD1-CG 3.36Å; F267-W316 AromaticContact CD1-NE1 3.43Å; F267-W316 HydrophobicContact CD2-CB 3.98Å; F267-W316 HydrophobicContact CD2-CG 4.22Å; F267-W316 HydrophobicContact CE1-CB 4.36Å; F267-W316 AromaticContact CE1-CD1 3.87Å; F267-W316 AromaticContact CE1-CD2 3.48Å; F267-W316 HydrophobicContact CE1-CD2 3.48Å; F267-W316 VanDerWaalsContact CE1-CD2 3.48Å; F267-W316 AromaticContact CE1-CE2 3.61Å; F267-W316 AromaticContact CE1-CE3 3.97Å; F267-W316 HydrophobicContact CE1-CE3 3.97Å; F267-W316 AromaticContact CE1-CG 3.66Å; F267-W316 HydrophobicContact CE1-CG 3.66Å; F267-W316 HydrophobicContact CE1-CZ2 4.18Å; F267-W316 HydrophobicContact CE1-CZ3 4.5Å; F267-W316 AromaticContact CE1-NE1 3.82Å; F267-W316 HydrophobicContact CE2-CB 4.38Å; F267-W316 HydrophobicContact CG-CB 3.8Å; F267-W316 AromaticContact CG-CD1 3.66Å; F267-W316 HydrophobicContact CG-CD2 4.38Å; F267-W316 AromaticContact CG-CG 3.66Å; F267-W316 HydrophobicContact CG-CG 3.66Å; F267-W316 HydrophobicContact CZ-CD2 4.07Å; F267-W316 HydrophobicContact CZ-CE3 4.19Å; F267-W316 HydrophobicContact CZ-CG 4.25Å; F285-W316 AromaticContact CE1-CH2 3.72Å; F285-W316 HydrophobicContact CE1-CH2 3.72Å; F285-W316 HydrophobicContact CE1-CZ3 4.45Å; F285-W316 AromaticContact CZ-CH2 3.74Å; F285-W316 HydrophobicContact CZ-CH2 3.74Å; F285-W316 HydrophobicContact CZ-CZ2 4.43Å; L292-W316 HydrophobicContact CB-CH2 4.11Å; L292-W316 HydrophobicContact CB-CZ3 3.6Å; L292-W316 HydrophobicContact CD2-CE3 4.4Å; L292-W316 HydrophobicContact CD2-CH2 4.03Å; L292-W316 HydrophobicContact CD2-CZ3 3.81Å; L292-W316 HydrophobicContact CG-CZ3 4.38Å; L309-W316 HydrophobicContact CB-CE3 3.89Å; L309-W316 HydrophobicContact CB-CZ3 4.33Å; T310-W316 WeakPolarHBondContact O-CA 3.33Å; C311-W316 HydrophobicContact CB-CD2 3.8Å; C311-W316 HydrophobicContact CB-CE3 3.87Å; C311-W316 HydrophobicContact CB-CG 4.47Å; C311-W316 HydrophobicContact CB-CH2 3.93Å; C311-W316 HydrophobicContact CB-CZ2 3.84Å; C311-W316 HydrophobicContact CB-CZ3 3.93Å
317S91Very high82.8Confident2 Ų231.8 Ų31.81%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-140.3140.4175.761.80000111M1 L309 T310 K319 N410M1-S317 VanDerWaalsContact CE-CB 3.48Å; M1-S317 WeakPolarHBondContact CE-OG 3.46Å; M1-S317 PolarHBondContact SD-OG 3.2Å; L309-S317 VanDerWaalsContact CA-O 3.26Å; L309-S317 WeakPolarHBondContact CA-O 3.32Å; T310-S317 PolarHBondContact N-O 3.41Å; T310-S317 PolarHBondContact O-N 3.47Å; S317-K319 PolarHBondContact O-N 3.47Å; S317-K319 WeakPolarHBondContact OG-CE 3.41Å; S317-K319 PolarHBondContact OG-NZ 2.89Å; S317-N410 WeakPolarHBondContact CA-OD1 3.24Å; S317-N410 VanDerWaalsContact CB-OD1 3.25Å; S317-N410 WeakPolarHBondContact CB-OD1 3.46Å
318T91.7Very high80.5Confident24 Ų2436 Ų3615%0.14719%0.193CC..EExtended strand (participates in β ladder)trans-81.4118.6179.1-54.40000109.1R307 N410 G411 F453R307-T318 HydrophobicContact CG-CG2 4.26Å; T318-N410 PolarHBondContact N-OD1 3.37Å; T318-N410 CarbonylContact O-C 3.55Å; T318-N410 WeakPolarHBondContact O-CA 3.35Å; T318-G411 PolarHBondContact O-N 3.4Å; T318-F453 HydrophobicContact CG2-CD2 4.33Å; T318-F453 HydrophobicContact CG2-CE2 3.7Å
319K90.5Very high78.1Confident1 Ų142.9 Ų42.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-106-29.1-174.8-65.1-52.3-177.4-161.30114.3R2 L4 L308 T310 S317 I409 F453R2-K319 WeakPolarHBondContact O-CE 3.26Å; L4-K319 HydrophobicContact CB-CB 4.01Å; L4-K319 HydrophobicContact CD1-CB 3.72Å; L4-K319 HydrophobicContact CD1-CG 4.43Å; L4-K319 HydrophobicContact CG-CB 3.87Å; L4-K319 HydrophobicContact CG-CG 4.4Å; L308-K319 PolarHBondContact O-N 2.88Å; T310-K319 HydrophobicContact CG2-CG 3.86Å; T310-K319 WeakPolarHBondContact OG1-CE 3.16Å; T310-K319 VanDerWaalsContact OG1-CG 3.26Å; T310-K319 WeakPolarHBondContact OG1-CG 3.37Å; S317-K319 PolarHBondContact O-N 3.47Å; S317-K319 WeakPolarHBondContact OG-CE 3.41Å; S317-K319 PolarHBondContact OG-NZ 2.89Å; K319-I409 VanDerWaalsContact CD-O 3.27Å; K319-I409 WeakPolarHBondContact CD-O 3.22Å; K319-I409 PolarHBondContact NZ-O 3.47Å; K319-F453 VanDerWaalsContact C-CZ 3.5Å; K319-F453 WeakPolarHBondContact O-CZ 3.47Å
320Q87.4Confident75.9Confident4 Ų447.6 Ų47.62%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-142.9150.4171.5-74.4-60.3-22.100110.4L4 L6 L308 F322 F453 S455L4-Q320 HydrophobicContact CB-CG 3.93Å; L4-Q320 PolarHBondContact O-NE2 3.17Å; L6-Q320 HydrophobicContact CD1-CG 4.42Å; L308-Q320 HydrophobicContact CB-CB 4.06Å; L308-Q320 HydrophobicContact CD1-CB 4.03Å; L308-Q320 HydrophobicContact CG-CB 4.17Å; L308-Q320 PolarHBondContact N-O 2.68Å; L308-Q320 PolarHBondContact O-N 3.26Å; Q320-F322 HydrophobicContact CB-CE2 4.24Å; Q320-F322 HydrophobicContact CB-CZ 4.04Å; Q320-F322 HydrophobicContact CG-CZ 4.34Å; Q320-F453 VanDerWaalsContact C-CZ 3.5Å; Q320-S455 PolarHBondContact NE2-O 3.21Å; Q320-S455 VanDerWaalsContact NE2-O 3.16Å
321H85.6Confident74.1Confident18 Ų1852.8 Ų52.88%0.08328%0.282CS..EExtended strand (participates in β ladder)trans-140.8117.1176.8-173.466.5000109.2F305 I306 R307 C323 F450 F453F305-H321 VanDerWaalsContact CB-CE1 3.48Å; F305-H321 WeakPolarHBondContact CB-CE1 3.5Å; F305-H321 AromaticContact CD2-CE1 3.54Å; F305-H321 AromaticContact CD2-ND1 3.94Å; F305-H321 AromaticContact CG-CE1 3.42Å; F305-H321 VanDerWaalsContact CG-CE1 3.42Å; F305-H321 WeakPolarHBondContact CG-CE1 3.49Å; I306-H321 WeakPolarHBondContact O-CA 3.39Å; R307-H321 WeakPolarHBondContact CG-ND1 3.37Å; H321-C323 PolarHBondContact NE2-SG 3.38Å; H321-F450 AromaticContact CE1-CE1 3.52Å; H321-F450 AromaticContact NE2-CD1 3.84Å; H321-F450 AromaticContact NE2-CE1 3.35Å; H321-F450 VanDerWaalsContact NE2-CE1 3.35Å; H321-F450 WeakPolarHBondContact NE2-CE1 3.39Å; H321-F453 HydrophobicContact CB-CB 3.98Å; H321-F453 HydrophobicContact CB-CD1 3.57Å; H321-F453 HydrophobicContact CB-CD2 3.51Å; H321-F453 HydrophobicContact CB-CE1 3.94Å; H321-F453 HydrophobicContact CB-CE2 3.91Å; H321-F453 HydrophobicContact CB-CG 3.36Å; H321-F453 HydrophobicContact CB-CZ 4.14Å; H321-F453 VanDerWaalsContact N-CE1 3.31Å
322F82Confident72.8Confident18 Ų1852.2 Ų52.28%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-109.2112.7178.2-54.8-60.8000109.1L6 F305 I306 L308 Q320 W378L6-F322 HydrophobicContact CD1-CE1 3.86Å; L6-F322 HydrophobicContact CD1-CZ 4.02Å; L6-F322 HydrophobicContact CD2-CE1 4.2Å; L6-F322 HydrophobicContact CD2-CZ 4.12Å; L6-F322 HydrophobicContact CG-CZ 4.44Å; F305-F322 CarbonylContact C-O 3.57Å; F305-F322 WeakPolarHBondContact CA-O 3.37Å; F305-F322 WeakPolarHBondContact CB-O 3.02Å; I306-F322 HydrophobicContact CB-CB 4.26Å; I306-F322 HydrophobicContact CB-CD2 4.24Å; I306-F322 HydrophobicContact CG2-CD2 4.41Å; I306-F322 PolarHBondContact N-O 2.73Å; I306-F322 PolarHBondContact O-N 3.37Å; L308-F322 HydrophobicContact CD1-CE2 3.78Å; L308-F322 HydrophobicContact CG-CE2 4.24Å; Q320-F322 HydrophobicContact CB-CE2 4.24Å; Q320-F322 HydrophobicContact CB-CZ 4.04Å; Q320-F322 HydrophobicContact CG-CZ 4.34Å; F322-W378 HydrophobicContact CB-CZ2 4.47Å; F322-W378 HydrophobicContact CD2-CD2 4.33Å; F322-W378 HydrophobicContact CD2-CE3 4.34Å; F322-W378 HydrophobicContact CD2-CH2 4.5Å; F322-W378 HydrophobicContact CD2-CZ2 4.49Å; F322-W378 HydrophobicContact CD2-CZ3 4.4Å; F322-W378 HydrophobicContact CE2-CD2 4.1Å; F322-W378 HydrophobicContact CE2-CE3 4.28Å; F322-W378 HydrophobicContact CE2-CG 4.29Å; F322-W378 HydrophobicContact CG-CZ2 4.3Å; F322-W378 HydrophobicContact CZ-CB 4.5Å; F322-W378 HydrophobicContact CZ-CD2 4.3Å; F322-W378 HydrophobicContact CZ-CG 4.1Å
323C78.9Confident72.4Confident34 Ų3457.6 Ų57.623%0.2330%0.301CS..EExtended strand (participates in β ladder)trans-82.2130.8171.3-66.90000109.7H321H321-C323 PolarHBondContact NE2-SG 3.38Å
324I77.5Confident72.2Confident5 Ų555.9 Ų55.93%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-108.693.8171.8-49.6170.2000106.1L295 W304 I306 I334 V337 I357L295-I324 HydrophobicContact CD1-CD1 4.46Å; W304-I324 HydrophobicContact CB-CB 3.95Å; W304-I324 HydrophobicContact CB-CD1 4.46Å; W304-I324 PolarHBondContact N-O 3.36Å; W304-I324 PolarHBondContact O-N 3.23Å; I306-I324 HydrophobicContact CD1-CD1 4.09Å; I306-I324 HydrophobicContact CG1-CD1 4.21Å; I324-I334 HydrophobicContact CB-CD1 4.41Å; I324-I334 HydrophobicContact CG2-CD1 3.59Å; I324-I334 HydrophobicContact CG2-CG1 4.46Å; I324-V337 HydrophobicContact CD1-CG1 4.13Å; I324-V337 HydrophobicContact CD1-CG2 4.4Å; I324-I357 HydrophobicContact CD1-CD1 4.08Å; I324-I357 HydrophobicContact CD1-CG1 4.31Å; I324-I357 HydrophobicContact CG1-CD1 4.32Å; I324-I357 HydrophobicContact CG2-CD1 3.91Å; I324-I357 HydrophobicContact CG2-CG1 4.47Å; I324-I357 HydrophobicContact CG2-CG2 4.1Å
325A63.3Low72.1Confident25 Ų2548.7 Ų48.721%0.20727%0.269CS..  trans-86136.9-17600000111.3N327A325-N327 PolarHBondContact O-N 3.42Å
326D58.2Low72.1Confident74 Ų7447.1 Ų47.140%0.39626%0.263SS..  trans-67.3112.1162.2-77.1-40.5000107.8S328 I334D326-S328 PolarHBondContact O-N 3.18Å; D326-I334 VanDerWaalsContact OD1-CD1 3.27Å; D326-I334 WeakPolarHBondContact OD1-CD1 3.4Å; D326-I334 WeakPolarHBondContact OD1-CG1 3.27Å; D326-I334 PolarHBondContact OD1-N 3.06Å
327N52.1Low72.1Confident34 Ų3446 Ų4618%0.18226%0.259CS..  trans-68.499175.7-85.1-20.8000109A325 L329 N330 S332 T565A325-N327 PolarHBondContact O-N 3.42Å; N327-L329 PolarHBondContact O-N 3.27Å; N327-N330 PolarHBondContact O-N 3.45Å; N327-S332 PolarHBondContact O-OG 2.85Å; N327-T565 PolarHBondContact ND2-O 3.33Å
328S44.1Very low72.1Confident115 Ų11546.7 Ų46.780%0.80426%0.264SS*.THydrogen-bonded Turntrans-63.2-117769.70000114.1D326D326-S328 PolarHBondContact O-N 3.18Å
329L42.3Very low72.2Confident145 Ų14546.1 Ų46.176%0.75926%0.26SS*.THydrogen-bonded Turntrans-81-22.4179.5-82.5149.8000113.3N327N327-L329 PolarHBondContact O-N 3.27Å
330N47.3Very low72.2Confident104 Ų10446.9 Ų46.956%0.55627%0.265SS*.THydrogen-bonded Turntrans-128.715.5-171.4-75.1-0.3000115.1N327 S332N327-N330 PolarHBondContact O-N 3.45Å; N330-S332 PolarHBondContact O-N 3Å; N330-S332 VanDerWaalsContact O-N 3.13Å
331D53.6Low72.2Confident121 Ų12146.9 Ų46.965%0.64727%0.265SS*.THydrogen-bonded Turntrans49.437-172.6-71.1-22.5000112.9L362D331-L362 HydrophobicContact CB-CB 4.32Å
332S59.4Low72Confident18 Ų1847 Ų4713%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-91122.4178.662.20000110.3N327 N330 K360N327-S332 PolarHBondContact O-OG 2.85Å; N330-S332 PolarHBondContact O-N 3Å; N330-S332 VanDerWaalsContact O-N 3.13Å; S332-K360 CarbonylContact C-O 3.58Å; S332-K360 VanDerWaalsContact CA-O 3.28Å; S332-K360 WeakPolarHBondContact CA-O 3.43Å
333Q73.3Confident71.5Confident127 Ų12748.9 Ų48.959%0.59328%0.275SS*.EExtended strand (participates in β ladder)trans-110.6128.5178.4-168.1178.56.600110.5S335 K360Q333-S335 PolarHBondContact O-N 3.3Å; Q333-K360 PolarHBondContact N-O 3.39Å; Q333-K360 PolarHBondContact O-N 3.22Å
334I77.5Confident70.6Confident16 Ų1651.1 Ų51.18%0.08228%0.282CS..EExtended strand (participates in β ladder)trans-64.2125.7169.4-64.7156.7000108.7W304 I324 D326 V337 I357W304-I334 HydrophobicContact CD2-CG2 4.32Å; W304-I334 HydrophobicContact CG-CD1 4.45Å; W304-I334 HydrophobicContact CZ2-CG2 4.4Å; I324-I334 HydrophobicContact CB-CD1 4.41Å; I324-I334 HydrophobicContact CG2-CD1 3.59Å; I324-I334 HydrophobicContact CG2-CG1 4.46Å; D326-I334 VanDerWaalsContact OD1-CD1 3.27Å; D326-I334 WeakPolarHBondContact OD1-CD1 3.4Å; D326-I334 WeakPolarHBondContact OD1-CG1 3.27Å; D326-I334 PolarHBondContact OD1-N 3.06Å; I334-V337 HydrophobicContact CG2-CG2 3.74Å; I334-I357 HydrophobicContact CG1-CG2 4.36Å; I334-I357 HydrophobicContact CG2-CG2 4.43Å
335S81.1Confident69.4Low34 Ų3451.4 Ų51.424%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-97-45.5179.755.20000112.6Q333 S358Q333-S335 PolarHBondContact O-N 3.3Å; S335-S358 PolarHBondContact N-O 3.14Å; S335-S358 WeakPolarHBondContact OG-CB 3.32Å; S335-S358 PolarHBondContact OG-O 2.8Å
336N87Confident68.9Low39 Ų3955.9 Ų55.921%0.20930%0.298CS..EExtended strand (participates in β ladder)trans-157.1155.8176-153.65.6000111.3V19 S358V19-N336 HydrophobicContact CG1-CB 4.3Å; V19-N336 WeakPolarHBondContact O-CB 3.48Å; V19-N336 PolarHBondContact O-ND2 2.65Å; N336-S358 PolarHBondContact O-N 2.94Å
337V90.1Very high68.5Low8 Ų856.3 Ų56.35%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-135.2133.7176.9-1770000109.6L295 W304 I324 I334 C355 A356 I357L295-V337 HydrophobicContact CD1-CB 4.34Å; L295-V337 HydrophobicContact CD1-CG1 3.87Å; L295-V337 HydrophobicContact CD2-CB 3.99Å; L295-V337 HydrophobicContact CD2-CG1 3.94Å; W304-V337 HydrophobicContact CD2-CG2 4.18Å; W304-V337 HydrophobicContact CE3-CB 3.84Å; W304-V337 HydrophobicContact CE3-CG2 3.55Å; W304-V337 HydrophobicContact CH2-CG2 4.42Å; W304-V337 HydrophobicContact CZ3-CB 3.64Å; W304-V337 HydrophobicContact CZ3-CG2 3.69Å; I324-V337 HydrophobicContact CD1-CG1 4.13Å; I324-V337 HydrophobicContact CD1-CG2 4.4Å; I334-V337 HydrophobicContact CG2-CG2 3.74Å; V337-C355 VanDerWaalsContact CG1-SG 3.55Å; V337-A356 CarbonylContact C-O 3.55Å; V337-A356 VanDerWaalsContact CA-O 3.27Å; V337-A356 WeakPolarHBondContact CA-O 3.41Å; V337-I357 HydrophobicContact CG1-CG1 4.12Å; V337-I357 HydrophobicContact CG2-CB 4.49Å; V337-I357 HydrophobicContact CG2-CG1 4.28Å; V337-I357 HydrophobicContact CG2-CG2 4.16Å
338S91.4Very high68.5Low17 Ų1755.4 Ų55.412%0.11930%0.302CS..EExtended strand (participates in β ladder)trans-127.2140.7176.9-166.80000110.7I22 C355 A356I22-S338 WeakPolarHBondContact CG2-OG 3.28Å; I22-S338 PolarHBondContact N-OG 3.07Å; S338-C355 CarbonylContact O-C 3.5Å; S338-C355 WeakPolarHBondContact O-CA 3.24Å; S338-A356 PolarHBondContact N-O 3.43Å; S338-A356 PolarHBondContact O-N 3.37Å
339L92.5Very high69.4Low11 Ų1152.1 Ų52.16%0.05828%0.275CS..EExtended strand (participates in β ladder)trans-120150.9-179-63.1-178.8000111.7L284 L295 I306 Y354 C355L284-L339 HydrophobicContact CD1-CB 3.73Å; L284-L339 WeakPolarHBondContact CD1-O 3.04Å; L295-L339 HydrophobicContact CB-CD1 3.67Å; L295-L339 HydrophobicContact CB-CG 4.43Å; L295-L339 HydrophobicContact CD1-CD1 4.34Å; L295-L339 HydrophobicContact CD2-CD1 4.38Å; L295-L339 HydrophobicContact CD2-CG 4.26Å; L295-L339 HydrophobicContact CG-CD1 4.35Å; I306-L339 HydrophobicContact CD1-CD1 4.41Å; I306-L339 HydrophobicContact CD1-CD2 3.62Å; I306-L339 HydrophobicContact CG1-CD1 4.22Å; I306-L339 HydrophobicContact CG1-CD2 4.26Å; I306-L339 HydrophobicContact CG2-CD1 4.17Å; L339-Y354 WeakPolarHBondContact CA-O 3.36Å; L339-C355 HydrophobicContact CD2-CB 3.43Å; L339-C355 VanDerWaalsContact CD2-CB 3.43Å; L339-C355 WeakPolarHBondContact CD2-SG 3.22Å
340T91.4Very high70.7Confident17 Ų1746.2 Ų46.210%0.10424%0.244CC..EExtended strand (participates in β ladder)trans-156.4152.6164.3-166.50000111.7I22 L24 Y354I22-T340 HydrophobicContact CB-CG2 4.26Å; I22-T340 HydrophobicContact CD1-CG2 4.11Å; I22-T340 HydrophobicContact CG1-CG2 3.81Å; I22-T340 HydrophobicContact CG2-CG2 3.7Å; L24-T340 HydrophobicContact CD1-CG2 3.33Å; T340-Y354 PolarHBondContact N-O 3.3Å; T340-Y354 PolarHBondContact O-N 2.88Å
341W88.3Confident72.3Confident5 Ų541.5 Ų41.52%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-90.7152.7174.1-71.6104.2000111L284 F285 P287 I291 A293 L308 H343 T352 L353 M380L284-W341 PolarHBondContact O-NE1 3.15Å; F285-W341 VanDerWaalsContact C-CD1 3.48Å; F285-W341 PolarHBondContact O-NE1 3.08Å; P287-W341 HydrophobicContact CG-CB 4.44Å; I291-W341 HydrophobicContact CB-CH2 4.19Å; I291-W341 HydrophobicContact CB-CZ2 4.21Å; I291-W341 HydrophobicContact CD1-CH2 4.26Å; I291-W341 HydrophobicContact CG2-CH2 3.8Å; I291-W341 HydrophobicContact CG2-CZ2 3.86Å; A293-W341 HydrophobicContact CB-CZ2 3.77Å; L308-W341 HydrophobicContact CD2-CH2 4.35Å; L308-W341 HydrophobicContact CD2-CZ2 4.3Å; W341-H343 PolarHBondContact O-CE1 2.9Å; W341-H343 PolarHBondContact O-ND1 2.94Å; W341-T352 VanDerWaalsContact CE3-O 3.29Å; W341-L353 HydrophobicContact CD2-CD1 3.91Å; W341-L353 HydrophobicContact CE3-CB 4.04Å; W341-L353 HydrophobicContact CE3-CD1 4.19Å; W341-L353 HydrophobicContact CG-CD1 4.36Å; W341-L353 HydrophobicContact CH2-CB 4.18Å; W341-L353 HydrophobicContact CH2-CD1 4.42Å; W341-L353 HydrophobicContact CZ2-CD1 4.19Å; W341-L353 HydrophobicContact CZ3-CB 3.77Å; W341-L353 HydrophobicContact CZ3-CD1 4.41Å; W341-M380 HydrophobicContact CH2-CE 3.87Å; W341-M380 HydrophobicContact CZ3-CE 3.72Å
342D81.4Confident73.7Confident20 Ų2036.2 Ų36.211%0.10719%0.192CC..  trans-75.7124.1164-175.6-4.3000110.5L24 P287 H344 T352 Y354L24-D342 HydrophobicContact CD2-CB 4.35Å; P287-D342 VanDerWaalsContact CG-O 3.29Å; P287-D342 WeakPolarHBondContact CG-O 3.19Å; D342-H344 WeakPolarHBondContact OD1-CB 3.29Å; D342-H344 IonicContact OD1-CD2 3.95Å; D342-H344 PolarHBondContact OD1-CD2 3.42Å; D342-H344 IonicContact OD1-CG 3.03Å; D342-H344 PolarHBondContact OD1-N 2.83Å; D342-T352 HydrophobicContact CB-CG2 4.42Å; D342-T352 PolarHBondContact N-O 3.23Å; D342-Y354 HydrophobicContact CB-CE2 4.17Å
343H71.2Confident75.1Confident57 Ų5735.4 Ų35.426%0.26419%0.186SC..G310 helixtrans-88.1-8.5-175.3-65.188.1000113.8D26 P287 W341 A345 Y346D26-H343 VanDerWaalsContact CG-CB 3.43Å; D26-H343 WeakPolarHBondContact OD1-CB 3.25Å; D26-H343 IonicContact OD1-CG 2.6Å; D26-H343 IonicContact OD1-ND1 2.98Å; D26-H343 WeakPolarHBondContact OD2-CB 3.41Å; P287-H343 HydrophobicContact CG-CB 4.45Å; W341-H343 PolarHBondContact O-CE1 2.9Å; W341-H343 PolarHBondContact O-ND1 2.94Å; H343-A345 PolarHBondContact O-N 3Å; H343-Y346 WeakPolarHBondContact O-CD2 3.2Å; H343-Y346 WeakPolarHBondContact O-CE2 3.43Å
344H59.6Low75.8Confident81 Ų8130.8 Ų30.838%0.37516%0.163SC..G310 helixtrans-65.3-8.2178.8-80.4-77.2000114.5D26 N29 D342 Y346D26-H344 VanDerWaalsContact C-CE1 3.4Å; D26-H344 PolarHBondContact O-CE1 3.34Å; D26-H344 PolarHBondContact O-ND1 2.96Å; D26-H344 PolarHBondContact O-NE2 3.3Å; N29-H344 PolarHBondContact OD1-CD2 2.83Å; N29-H344 PolarHBondContact OD1-NE2 3.06Å; D342-H344 WeakPolarHBondContact OD1-CB 3.29Å; D342-H344 IonicContact OD1-CD2 3.95Å; D342-H344 PolarHBondContact OD1-CD2 3.42Å; D342-H344 IonicContact OD1-CG 3.03Å; D342-H344 PolarHBondContact OD1-N 2.83Å; H344-Y346 PolarHBondContact O-N 3.48Å
345A52.7Low76.4Confident12 Ų1230 Ų3010%0.09916%0.159CC..G310 helixtrans-98.131.7-168.700000115.4T288 H343 S347 T348T288-A345 VanDerWaalsContact CG2-O 3.27Å; T288-A345 WeakPolarHBondContact CG2-O 3.48Å; H343-A345 PolarHBondContact O-N 3Å; A345-S347 PolarHBondContact O-N 3.31Å; A345-T348 WeakPolarHBondContact CB-OG1 3.35Å; A345-T348 PolarHBondContact O-N 3.49Å
346Y51.7Low76.7Confident119 Ų11928.4 Ų28.447%0.46715%0.148SC..THydrogen-bonded Turntrans-56.5-18.7-177.1-76-74.6000115R237 P287 H343 H344R237-Y346 PolarHBondContact NH2-O 3.33Å; P287-Y346 HydrophobicContact CB-CD1 4.31Å; P287-Y346 HydrophobicContact CB-CE1 4.06Å; H343-Y346 WeakPolarHBondContact O-CD2 3.2Å; H343-Y346 WeakPolarHBondContact O-CE2 3.43Å; H344-Y346 PolarHBondContact O-N 3.48Å
347S50.3Low76.7Confident82 Ų8226.6 Ų26.657%0.57314%0.139SC*.THydrogen-bonded Turntrans-117.57-178.4620000116A345A345-S347 PolarHBondContact O-N 3.31Å
348T52.5Low76.6Confident15 Ų1526.2 Ų26.29%0.09214%0.136CC..  trans-125146.5-159.180.90000114.4A345 L350 S735A345-T348 WeakPolarHBondContact CB-OG1 3.35Å; A345-T348 PolarHBondContact O-N 3.49Å; T348-L350 PolarHBondContact O-N 3.3Å; T348-L350 PolarHBondContact OG1-O 2.81Å; T348-S735 VanDerWaalsContact CG2-O 3.24Å; T348-S735 WeakPolarHBondContact CG2-O 3.34Å
349D63.4Low76Confident46 Ų4626.2 Ų26.225%0.24614%0.135CC..SBendtrans-734.7171.2-89.2-40.1000113.6R2 N382 K734R2-D349 IonicContact CZ-OD1 2.65Å; R2-D349 IonicContact CZ-OD2 3Å; R2-D349 IonicContact NH1-OD1 3.99Å; R2-D349 PolarHBondContact NH1-OD1 3.39Å; R2-D349 IonicContact NH1-OD2 2.94Å; R2-D349 PolarHBondContact NH1-OD2 3.03Å; R2-D349 IonicContact NH2-OD2 3.62Å; D349-N382 HydrophobicContact CB-CB 4.24Å; D349-N382 PolarHBondContact O-N 2.98Å; D349-N382 VanDerWaalsContact O-N 3.11Å; D349-K734 HydrophobicContact CB-CD 4.36Å
350L69.7Low75.3Confident21 Ų2130 Ų3011%0.1115%0.15CC..EExtended strand (participates in β ladder)trans-95.6140.5175.8-90.6144.1000109.3T348 M380 N381 D705 K734T348-L350 PolarHBondContact O-N 3.3Å; T348-L350 PolarHBondContact OG1-O 2.81Å; L350-M380 WeakPolarHBondContact CA-O 3.34Å; L350-N381 WeakPolarHBondContact CD2-OD1 3.29Å; L350-N381 WeakPolarHBondContact CG-OD1 3.32Å; L350-D705 WeakPolarHBondContact CD1-OD1 3.38Å; L350-D705 WeakPolarHBondContact CD1-OD2 3.23Å; L350-D705 WeakPolarHBondContact CD2-OD1 3.39Å; L350-K734 HydrophobicContact CD1-CB 4.18Å
351S80.6Confident74.1Confident5 Ų532.1 Ų32.14%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-142.1130.7173.9-59.50000110.1I291 M380I291-S351 VanDerWaalsContact CD1-OG 3.32Å; I291-S351 WeakPolarHBondContact CD1-OG 3.31Å; S351-M380 PolarHBondContact N-O 2.84Å; S351-M380 PolarHBondContact O-N 3.37Å
352T83.4Confident72.8Confident11 Ų1136.9 Ų36.97%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-112.1120.8179-50.70000109.3W341 D342 Y354 C377 W378 K379W341-T352 VanDerWaalsContact CE3-O 3.29Å; D342-T352 HydrophobicContact CB-CG2 4.42Å; D342-T352 PolarHBondContact N-O 3.23Å; T352-Y354 HydrophobicContact CG2-CD2 4.15Å; T352-Y354 HydrophobicContact CG2-CE2 3.55Å; T352-C377 WeakPolarHBondContact CG2-SG 3.36Å; T352-W378 WeakPolarHBondContact CA-O 3.36Å; T352-K379 HydrophobicContact CG2-CG 3.88Å
353L87.8Confident71.7Confident0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-106.7128.4175.6-177.969000109.7A293 I306 L308 W341 C377 W378 M380A293-L353 HydrophobicContact CB-CD1 4.43Å; I306-L353 HydrophobicContact CG2-CD2 4.1Å; L308-L353 HydrophobicContact CD2-CD2 3.94Å; W341-L353 HydrophobicContact CD2-CD1 3.91Å; W341-L353 HydrophobicContact CE3-CB 4.04Å; W341-L353 HydrophobicContact CE3-CD1 4.19Å; W341-L353 HydrophobicContact CG-CD1 4.36Å; W341-L353 HydrophobicContact CH2-CB 4.18Å; W341-L353 HydrophobicContact CH2-CD1 4.42Å; W341-L353 HydrophobicContact CZ2-CD1 4.19Å; W341-L353 HydrophobicContact CZ3-CB 3.77Å; W341-L353 HydrophobicContact CZ3-CD1 4.41Å; L353-C377 CarbonylContact O-C 3.46Å; L353-C377 WeakPolarHBondContact O-CA 3.48Å; L353-W378 HydrophobicContact CB-CE3 4.34Å; L353-W378 HydrophobicContact CD2-CE3 3.96Å; L353-W378 HydrophobicContact CD2-CZ3 4.16Å; L353-W378 HydrophobicContact CG-CE3 4.21Å; L353-W378 PolarHBondContact N-O 2.75Å; L353-W378 PolarHBondContact O-N 3.45Å; L353-M380 HydrophobicContact CB-CE 3.94Å
354Y88.1Confident70.9Confident30 Ų3043.1 Ų43.112%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-103140.6171.7-68.7-89.9000110.4L24 I31 L339 T340 D342 T352 L375 Q376 C377L24-Y354 HydrophobicContact CD1-CD2 3.54Å; L24-Y354 HydrophobicContact CD1-CE2 3.95Å; L24-Y354 HydrophobicContact CD1-CG 4.03Å; L24-Y354 HydrophobicContact CD2-CD2 3.96Å; L24-Y354 HydrophobicContact CD2-CE2 3.47Å; L24-Y354 VanDerWaalsContact CD2-CE2 3.47Å; L24-Y354 HydrophobicContact CG-CD2 4.42Å; L24-Y354 HydrophobicContact CG-CE2 4.36Å; I31-Y354 HydrophobicContact CD1-CD1 3.81Å; I31-Y354 HydrophobicContact CD1-CE1 3.34Å; I31-Y354 HydrophobicContact CG1-CE1 4.33Å; L339-Y354 WeakPolarHBondContact CA-O 3.36Å; T340-Y354 PolarHBondContact N-O 3.3Å; T340-Y354 PolarHBondContact O-N 2.88Å; D342-Y354 HydrophobicContact CB-CE2 4.17Å; T352-Y354 HydrophobicContact CG2-CD2 4.15Å; T352-Y354 HydrophobicContact CG2-CE2 3.55Å; Y354-L375 HydrophobicContact CD1-CD1 4.43Å; Y354-Q376 CarbonylContact C-O 3.6Å; Y354-Q376 WeakPolarHBondContact CA-O 3.39Å; Y354-C377 HydrophobicContact CD1-CB 3.81Å; Y354-C377 HydrophobicContact CE1-CB 3.72Å; Y354-C377 VanDerWaalsContact CE1-SG 3.52Å
355C89.4Confident70.4Confident0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-138.6121.8-179.8178.30000110.3I306 V337 S338 L339 I357 L375 Q376 W378I306-C355 HydrophobicContact CD1-CB 4.3Å; V337-C355 VanDerWaalsContact CG1-SG 3.55Å; S338-C355 CarbonylContact O-C 3.5Å; S338-C355 WeakPolarHBondContact O-CA 3.24Å; L339-C355 HydrophobicContact CD2-CB 3.43Å; L339-C355 VanDerWaalsContact CD2-CB 3.43Å; L339-C355 WeakPolarHBondContact CD2-SG 3.22Å; C355-I357 VanDerWaalsContact SG-CG1 3.58Å; C355-L375 CarbonylContact O-C 3.57Å; C355-L375 WeakPolarHBondContact O-CA 3.36Å; C355-Q376 HydrophobicContact CB-CB 4.49Å; C355-Q376 PolarHBondContact N-O 3.38Å; C355-Q376 PolarHBondContact O-N 3.09Å; C355-W378 HydrophobicContact CB-CE3 4.41Å; C355-W378 HydrophobicContact CB-CH2 3.71Å; C355-W378 HydrophobicContact CB-CZ3 3.39Å
356A89Confident70.2Confident0 Ų051.5 Ų51.50%027%0.272CS..EExtended strand (participates in β ladder)trans-104.5124.7173.400000109.5V19 I22 V33 V337 S338 T373 L374 L375V19-A356 HydrophobicContact CB-CB 4.4Å; V19-A356 HydrophobicContact CG1-CB 4.3Å; V19-A356 HydrophobicContact CG2-CB 3.83Å; I22-A356 HydrophobicContact CD1-CB 4.39Å; V33-A356 HydrophobicContact CG1-CB 4.45Å; V337-A356 CarbonylContact C-O 3.55Å; V337-A356 VanDerWaalsContact CA-O 3.27Å; V337-A356 WeakPolarHBondContact CA-O 3.41Å; S338-A356 PolarHBondContact N-O 3.43Å; S338-A356 PolarHBondContact O-N 3.37Å; A356-T373 HydrophobicContact CB-CG2 4.09Å; A356-L374 CarbonylContact C-O 3.46Å; A356-L374 WeakPolarHBondContact CA-O 3.42Å; A356-L375 HydrophobicContact CB-CD1 4.29Å
357I87.2Confident70.3Confident2 Ų254.3 Ų54.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-120.3110.1-175-56.8163.2000108.3I324 I334 V337 C355 I359 T373 L374I324-I357 HydrophobicContact CD1-CD1 4.08Å; I324-I357 HydrophobicContact CD1-CG1 4.31Å; I324-I357 HydrophobicContact CG1-CD1 4.32Å; I324-I357 HydrophobicContact CG2-CD1 3.91Å; I324-I357 HydrophobicContact CG2-CG1 4.47Å; I324-I357 HydrophobicContact CG2-CG2 4.1Å; I334-I357 HydrophobicContact CG1-CG2 4.36Å; I334-I357 HydrophobicContact CG2-CG2 4.43Å; V337-I357 HydrophobicContact CG1-CG1 4.12Å; V337-I357 HydrophobicContact CG2-CB 4.49Å; V337-I357 HydrophobicContact CG2-CG1 4.28Å; V337-I357 HydrophobicContact CG2-CG2 4.16Å; C355-I357 VanDerWaalsContact SG-CG1 3.58Å; I357-I359 HydrophobicContact CG2-CD1 4.47Å; I357-I359 HydrophobicContact CG2-CG1 4.04Å; I357-T373 CarbonylContact O-C 3.55Å; I357-T373 WeakPolarHBondContact O-CA 3.37Å; I357-L374 PolarHBondContact N-O 3.4Å; I357-L374 PolarHBondContact O-N 3.16Å
358S87.6Confident70.3Confident0 Ų057.4 Ų57.40%030%0.3CS..EExtended strand (participates in β ladder)trans-88.6119.7176.7-700000111.3N18 V19 S335 N336 T373N18-S358 PolarHBondContact N-OG 3.14Å; V19-S358 WeakPolarHBondContact CB-OG 3.43Å; V19-S358 WeakPolarHBondContact CG1-OG 3.41Å; V19-S358 PolarHBondContact N-OG 3.15Å; S335-S358 PolarHBondContact N-O 3.14Å; S335-S358 WeakPolarHBondContact OG-CB 3.32Å; S335-S358 PolarHBondContact OG-O 2.8Å; N336-S358 PolarHBondContact O-N 2.94Å; S358-T373 PolarHBondContact OG-OG1 2.88Å
359I79.4Confident70.5Confident16 Ų1660.3 Ų60.38%0.08232%0.318CS..EExtended strand (participates in β ladder)trans-111132.7-177-55.7169.8000108.5W13 I357 S371 K372 T565W13-I359 HydrophobicContact CH2-CD1 3.92Å; W13-I359 HydrophobicContact CZ3-CD1 4.21Å; I357-I359 HydrophobicContact CG2-CD1 4.47Å; I357-I359 HydrophobicContact CG2-CG1 4.04Å; I359-S371 CarbonylContact O-C 3.59Å; I359-S371 VanDerWaalsContact O-CA 3.26Å; I359-S371 WeakPolarHBondContact O-CA 3.36Å; I359-K372 PolarHBondContact N-O 2.93Å; I359-K372 PolarHBondContact O-N 3.08Å; I359-T565 HydrophobicContact CD1-CG2 4.01Å
360K76.6Confident70.7Confident90 Ų9061.6 Ų61.639%0.39133%0.325SS..EExtended strand (participates in β ladder)trans-102116.5170.1-71177.3179.9174.20108.7S332 Q333 V369S332-K360 CarbonylContact C-O 3.58Å; S332-K360 VanDerWaalsContact CA-O 3.28Å; S332-K360 WeakPolarHBondContact CA-O 3.43Å; Q333-K360 PolarHBondContact N-O 3.39Å; Q333-K360 PolarHBondContact O-N 3.22Å; K360-V369 HydrophobicContact CB-CG1 4.11Å; K360-V369 HydrophobicContact CG-CG1 4.17Å
361E67.3Low70.8Confident62 Ų6261.2 Ų61.229%0.2932%0.324SS..EExtended strand (participates in β ladder)trans-94.3124.7170.1-72.2-178.4158.600109.8L363 N370E361-L363 PolarHBondContact O-N 3.13Å; E361-N370 WeakPolarHBondContact CB-O 3.43Å; E361-N370 PolarHBondContact N-O 3.39Å; E361-N370 PolarHBondContact O-N 3.18Å
362L60.4Low70.6Confident106 Ų10665.4 Ų65.456%0.55534%0.342SS*.EExtended strand (participates in β ladder)trans-86.5103.9170.2-82146.9000108.9D331D331-L362 HydrophobicContact CB-CB 4.32Å
363L58.6Low70.6Confident88 Ų8864.9 Ų64.946%0.46134%0.339SS..  trans-72.6133.9175.4-76.9162.5000110.2E361 N365 N370E361-L363 PolarHBondContact O-N 3.13Å; L363-N365 PolarHBondContact O-N 2.9Å; L363-N370 HydrophobicContact CD1-CB 4.01Å
364P53Low70.3Confident119 Ų11964.9 Ų64.977%0.77334%0.339SS*.THydrogen-bonded Turntrans-69.5-2.6-167.921.6-31.3000116.1
365N49.3Very low70Confident151 Ų15163.9 Ų63.981%0.80734%0.335SS*.THydrogen-bonded Turntrans-141.511.7-172-85.7-28.9000117.5L363L363-N365 PolarHBondContact O-N 2.9Å
366N49.7Very low69.5Low118 Ų11864.7 Ų64.763%0.63134%0.339SS*.SBendtrans-154.4141.2167.8-89.9-31.7000108.3Q368N366-Q368 PolarHBondContact O-N 3.02Å
367N54.1Low69Low179 Ų17965.5 Ų65.596%0.95734%0.344SS*.SBendtrans-62.719.5173.5-78.6-10.5000114.2V369N367-V369 PolarHBondContact O-N 2.85Å
368Q49.4Very low68.7Low146 Ų14666.4 Ų66.468%0.68235%0.348SS*.  trans-84.9103.9170.3-76.9-177.5-24.700108.6N366 N370N366-Q368 PolarHBondContact O-N 3.02Å; Q368-N370 PolarHBondContact O-N 3.14Å
369V57.7Low68.2Low77 Ų7770.4 Ų70.447%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-70.5116.3169178.70000107.3K360 N367K360-V369 HydrophobicContact CB-CG1 4.11Å; K360-V369 HydrophobicContact CG-CG1 4.17Å; N367-V369 PolarHBondContact O-N 2.85Å
370N66.5Low68.3Low73 Ų7369.6 Ų69.639%0.3936%0.361SS..EExtended strand (participates in β ladder)trans-92.2106.4172-145.616000106.7E361 L363 Q368E361-N370 WeakPolarHBondContact CB-O 3.43Å; E361-N370 PolarHBondContact N-O 3.39Å; E361-N370 PolarHBondContact O-N 3.18Å; L363-N370 HydrophobicContact CD1-CB 4.01Å; Q368-N370 PolarHBondContact O-N 3.14Å
371S71.2Confident68.3Low13 Ų1365.6 Ų65.69%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-98.5144.517524.30000109.8H17 I359H17-S371 WeakPolarHBondContact CB-OG 3.46Å; H17-S371 PolarHBondContact CD2-OG 3.31Å; H17-S371 PolarHBondContact CE1-O 3.06Å; H17-S371 PolarHBondContact CE1-OG 3.18Å; H17-S371 VanDerWaalsContact CE1-OG 3.25Å; H17-S371 VanDerWaalsContact ND1-C 3.35Å; H17-S371 VanDerWaalsContact ND1-CB 3.28Å; H17-S371 WeakPolarHBondContact ND1-CB 3.4Å; H17-S371 PolarHBondContact ND1-O 3.31Å; H17-S371 PolarHBondContact ND1-OG 3.11Å; H17-S371 PolarHBondContact NE2-OG 3.23Å; I359-S371 CarbonylContact O-C 3.59Å; I359-S371 VanDerWaalsContact O-CA 3.26Å; I359-S371 WeakPolarHBondContact O-CA 3.36Å
372K77.7Confident68.8Low93 Ų9363.2 Ų63.240%0.40433%0.333SS..EExtended strand (participates in β ladder)trans-141.9152172.4-69-176.4-179.7170.90108.5W13 I359W13-K372 HydrophobicContact CE3-CB 3.73Å; W13-K372 HydrophobicContact CE3-CD 4.38Å; W13-K372 HydrophobicContact CZ3-CB 3.65Å; I359-K372 PolarHBondContact N-O 2.93Å; I359-K372 PolarHBondContact O-N 3.08Å
373T82.8Confident69.6Low0 Ų060.3 Ų60.30%032%0.317CS..EExtended strand (participates in β ladder)trans-112.9128.2175.7-59.70000110L14 G16 V19 F35 A356 I357 S358L14-T373 PolarHBondContact N-O 3.4Å; L14-T373 PolarHBondContact O-N 3.36Å; G16-T373 WeakPolarHBondContact O-CB 3.14Å; G16-T373 PolarHBondContact O-OG1 2.87Å; V19-T373 HydrophobicContact CB-CG2 4.34Å; F35-T373 HydrophobicContact CE1-CG2 3.9Å; F35-T373 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T373 HydrophobicContact CZ-CG2 4.39Å; A356-T373 HydrophobicContact CB-CG2 4.09Å; I357-T373 CarbonylContact O-C 3.55Å; I357-T373 WeakPolarHBondContact O-CA 3.37Å; S358-T373 PolarHBondContact OG-OG1 2.88Å
374L80.7Confident70.2Confident0 Ų057.4 Ų57.40%030%0.3CS..EExtended strand (participates in β ladder)trans-96.9116.4173.9-178.868.2000109.1W13 A356 I357 Q376 T565W13-L374 HydrophobicContact CD2-CB 4.47Å; W13-L374 HydrophobicContact CD2-CD1 3.87Å; W13-L374 HydrophobicContact CE3-CB 4.04Å; W13-L374 HydrophobicContact CE3-CD1 4.29Å; W13-L374 HydrophobicContact CG-CD1 4.23Å; W13-L374 HydrophobicContact CH2-CB 4.27Å; W13-L374 HydrophobicContact CZ2-CD1 4.21Å; W13-L374 HydrophobicContact CZ3-CB 3.92Å; A356-L374 CarbonylContact C-O 3.46Å; A356-L374 WeakPolarHBondContact CA-O 3.42Å; I357-L374 PolarHBondContact N-O 3.4Å; I357-L374 PolarHBondContact O-N 3.16Å; L374-Q376 HydrophobicContact CD2-CG 3.86Å; L374-Q376 HydrophobicContact CG-CG 3.94Å; L374-T565 WeakPolarHBondContact CD2-OG1 3.43Å
375L82.2Confident71.1Confident9 Ų952.9 Ų52.95%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-90.5114.4168.517965.7000109.3S11 L12 L14 I22 I31 I42 Y354 C355 A356S11-L375 CarbonylContact C-O 3.6Å; S11-L375 VanDerWaalsContact CA-O 3.26Å; S11-L375 WeakPolarHBondContact CA-O 3.26Å; L12-L375 HydrophobicContact CB-CB 4.41Å; L12-L375 PolarHBondContact N-O 3.49Å; L12-L375 PolarHBondContact O-N 2.98Å; L14-L375 HydrophobicContact CD1-CB 4.07Å; L14-L375 HydrophobicContact CG-CB 4.35Å; I22-L375 HydrophobicContact CD1-CD1 3.53Å; I31-L375 HydrophobicContact CD1-CD2 4.23Å; I31-L375 HydrophobicContact CG2-CD2 4.44Å; I42-L375 HydrophobicContact CD1-CD2 3.5Å; I42-L375 VanDerWaalsContact CD1-CD2 3.5Å; Y354-L375 HydrophobicContact CD1-CD1 4.43Å; C355-L375 CarbonylContact O-C 3.57Å; C355-L375 WeakPolarHBondContact O-CA 3.36Å; A356-L375 HydrophobicContact CB-CD1 4.29Å
376Q79.3Confident72Confident17 Ų1747 Ų478%0.07924%0.24CC..EExtended strand (participates in β ladder)trans-104150.8172-66.8-174.3-40.400111.2G10 Y354 C355 L374 W378G10-Q376 CarbonylContact O-C 3.59Å; G10-Q376 VanDerWaalsContact O-CA 3.31Å; G10-Q376 WeakPolarHBondContact O-CA 3.35Å; Y354-Q376 CarbonylContact C-O 3.6Å; Y354-Q376 WeakPolarHBondContact CA-O 3.39Å; C355-Q376 HydrophobicContact CB-CB 4.49Å; C355-Q376 PolarHBondContact N-O 3.38Å; C355-Q376 PolarHBondContact O-N 3.09Å; L374-Q376 HydrophobicContact CD2-CG 3.86Å; L374-Q376 HydrophobicContact CG-CG 3.94Å; Q376-W378 HydrophobicContact CB-CH2 4.17Å; Q376-W378 HydrophobicContact CB-CZ2 4.04Å
377C79.2Confident72.9Confident17 Ų1741.3 Ų41.312%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-136.2128.1177.4176.60000108.6C9 G10 T352 L353 Y354C9-C377 CarbonylContact C-O 3.57Å; C9-C377 VanDerWaalsContact CA-O 3.3Å; C9-C377 WeakPolarHBondContact CA-O 3.43Å; G10-C377 PolarHBondContact N-O 2.85Å; G10-C377 PolarHBondContact O-N 3Å; T352-C377 WeakPolarHBondContact CG2-SG 3.36Å; L353-C377 CarbonylContact O-C 3.46Å; L353-C377 WeakPolarHBondContact O-CA 3.48Å; Y354-C377 HydrophobicContact CD1-CB 3.81Å; Y354-C377 HydrophobicContact CE1-CB 3.72Å; Y354-C377 VanDerWaalsContact CE1-SG 3.52Å
378W80.5Confident73.2Confident20 Ų2032.9 Ų32.98%0.07617%0.165CC..EExtended strand (participates in β ladder)trans-118.6118.9174-59.5-72.8000109.8L6 I306 F322 T352 L353 C355 Q376 M380L6-W378 HydrophobicContact CD2-CB 4.01Å; L6-W378 HydrophobicContact CD2-CG 4.06Å; I306-W378 HydrophobicContact CD1-CH2 3.62Å; I306-W378 HydrophobicContact CD1-CZ3 3.57Å; F322-W378 HydrophobicContact CB-CZ2 4.47Å; F322-W378 HydrophobicContact CD2-CD2 4.33Å; F322-W378 HydrophobicContact CD2-CE3 4.34Å; F322-W378 HydrophobicContact CD2-CH2 4.5Å; F322-W378 HydrophobicContact CD2-CZ2 4.49Å; F322-W378 HydrophobicContact CD2-CZ3 4.4Å; F322-W378 HydrophobicContact CE2-CD2 4.1Å; F322-W378 HydrophobicContact CE2-CE3 4.28Å; F322-W378 HydrophobicContact CE2-CG 4.29Å; F322-W378 HydrophobicContact CG-CZ2 4.3Å; F322-W378 HydrophobicContact CZ-CB 4.5Å; F322-W378 HydrophobicContact CZ-CD2 4.3Å; F322-W378 HydrophobicContact CZ-CG 4.1Å; T352-W378 WeakPolarHBondContact CA-O 3.36Å; L353-W378 HydrophobicContact CB-CE3 4.34Å; L353-W378 HydrophobicContact CD2-CE3 3.96Å; L353-W378 HydrophobicContact CD2-CZ3 4.16Å; L353-W378 HydrophobicContact CG-CE3 4.21Å; L353-W378 PolarHBondContact N-O 2.75Å; L353-W378 PolarHBondContact O-N 3.45Å; C355-W378 HydrophobicContact CB-CE3 4.41Å; C355-W378 HydrophobicContact CB-CH2 3.71Å; C355-W378 HydrophobicContact CB-CZ3 3.39Å; Q376-W378 HydrophobicContact CB-CH2 4.17Å; Q376-W378 HydrophobicContact CB-CZ2 4.04Å; W378-M380 HydrophobicContact CB-CE 4.46Å
379K77.8Confident73.5Confident84 Ų8426 Ų2637%0.36513%0.133SC..EExtended strand (participates in β ladder)trans-95.8130.8168.8-61.4-165.7178.6-1720109.3S7 S8 T352S7-K379 PolarHBondContact N-O 3.33Å; S7-K379 WeakPolarHBondContact OG-CB 3.43Å; S7-K379 PolarHBondContact OG-O 2.9Å; S7-K379 VanDerWaalsContact OG-O 3.13Å; S8-K379 PolarHBondContact O-N 3.19Å; S8-K379 WeakPolarHBondContact OG-CB 3.48Å; S8-K379 WeakPolarHBondContact OG-CD 3.3Å; S8-K379 WeakPolarHBondContact OG-CG 3.47Å; T352-K379 HydrophobicContact CG2-CG 3.88Å
380M81Confident73.4Confident0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-132.4140.7-172.8-63.6164-7500111L4 N5 L6 L308 W341 L350 S351 L353 W378L4-M380 HydrophobicContact CD2-CB 4.26Å; N5-M380 WeakPolarHBondContact O-CA 3.49Å; L6-M380 HydrophobicContact CG-CG 4.31Å; L308-M380 HydrophobicContact CD1-CE 3.63Å; L308-M380 HydrophobicContact CD1-SD 3.12Å; L308-M380 WeakPolarHBondContact CD1-SD 3.46Å; W341-M380 HydrophobicContact CH2-CE 3.87Å; W341-M380 HydrophobicContact CZ3-CE 3.72Å; L350-M380 WeakPolarHBondContact CA-O 3.34Å; S351-M380 PolarHBondContact N-O 2.84Å; S351-M380 PolarHBondContact O-N 3.37Å; L353-M380 HydrophobicContact CB-CE 3.94Å; W378-M380 HydrophobicContact CB-CE 4.46Å
381N76.6Confident72.6Confident5 Ų520.7 Ų20.73%0.02710%0.103CC..EExtended strand (participates in β ladder)trans-115.8125.4-179.3-68.92.7000109.5N5 L350 M383 D705N5-N381 PolarHBondContact N-O 3.39Å; N5-N381 PolarHBondContact O-N 3.43Å; L350-N381 WeakPolarHBondContact CD2-OD1 3.29Å; L350-N381 WeakPolarHBondContact CG-OD1 3.32Å; N381-M383 HydrophobicContact CB-CG 4.42Å; N381-M383 HydrophobicContact CB-SD 4.5Å; N381-M383 PolarHBondContact O-N 3.04Å; N381-D705 WeakPolarHBondContact ND2-CB 3.33Å; N381-D705 PolarHBondContact ND2-OD1 2.89Å; N381-D705 PolarHBondContact OD1-OD1 2.74Å
382N77.8Confident71.3Confident13 Ų1322.3 Ų22.37%0.0711%0.11CC..EExtended strand (participates in β ladder)trans-72.7108.8171.3-84.8-40.3000110.6R2 N3 L4 D349 K734R2-N382 HydrophobicContact CB-CB 4.3Å; N3-N382 WeakPolarHBondContact O-CA 2.94Å; L4-N382 WeakPolarHBondContact CD2-OD1 3.5Å; D349-N382 HydrophobicContact CB-CB 4.24Å; D349-N382 PolarHBondContact O-N 2.98Å; D349-N382 VanDerWaalsContact O-N 3.11Å; N382-K734 PolarHBondContact O-NZ 3.24Å
383M75.9Confident69.5Low44 Ų4419.4 Ų19.422%0.21710%0.101CC..EExtended strand (participates in β ladder)trans-142.4153.7-177.9-71.3-169.473.600113.9N3 N381 Q706 K734N3-M383 WeakPolarHBondContact CB-O 3.4Å; N3-M383 PolarHBondContact N-O 2.81Å; N3-M383 PolarHBondContact O-N 3.2Å; N381-M383 HydrophobicContact CB-CG 4.42Å; N381-M383 HydrophobicContact CB-SD 4.5Å; N381-M383 PolarHBondContact O-N 3.04Å; M383-Q706 HydrophobicContact CE-CB 4.47Å; M383-Q706 HydrophobicContact CE-CG 4.21Å; M383-K734 PolarHBondContact SD-NZ 3.2Å; M383-K734 VanDerWaalsContact SD-NZ 3.43Å
384Y72.2Confident67.4Low28 Ų2828.3 Ų28.311%0.1114%0.135CC..  trans-88.5138.2166.4-74-71.2000110.3M1 R2 S386 V406 V408 I841 V843 Q855M1-Y384 WeakPolarHBondContact O-CE1 3.18Å; R2-Y384 HydrophobicContact CG-CD2 3.89Å; R2-Y384 HydrophobicContact CG-CE1 4.11Å; R2-Y384 HydrophobicContact CG-CE2 3.4Å; R2-Y384 VanDerWaalsContact CG-CE2 3.4Å; R2-Y384 HydrophobicContact CG-CG 4.4Å; Y384-S386 PolarHBondContact O-N 3.43Å; Y384-V406 HydrophobicContact CD1-CG1 3.79Å; Y384-V406 HydrophobicContact CE1-CG1 4.48Å; Y384-V406 HydrophobicContact CG-CG1 4.5Å; Y384-V408 HydrophobicContact CD1-CG2 4.49Å; Y384-V408 HydrophobicContact CE1-CG2 4.44Å; Y384-I841 HydrophobicContact CD2-CD1 4.32Å; Y384-I841 HydrophobicContact CE2-CD1 3.66Å; Y384-V843 HydrophobicContact CD1-CG1 4.21Å; Y384-V843 HydrophobicContact CD2-CB 4.3Å; Y384-V843 HydrophobicContact CD2-CG1 4.09Å; Y384-V843 HydrophobicContact CD2-CG2 4.24Å; Y384-V843 HydrophobicContact CE1-CG1 4.31Å; Y384-V843 HydrophobicContact CE2-CB 4.3Å; Y384-V843 HydrophobicContact CE2-CG1 4.21Å; Y384-V843 HydrophobicContact CE2-CG2 3.75Å; Y384-V843 HydrophobicContact CG-CG1 4.11Å; Y384-Q855 PolarHBondContact OH-NE2 2.95Å; Y384-Q855 PolarHBondContact OH-OE1 3.34Å
385N71.3Confident65.3Low24 Ų2432 Ų3213%0.12816%0.157CC..EExtended strand (participates in β ladder)trans-89.698.2162.5-70.289.9000107.7N3 V406 A407 V457N3-N385 PolarHBondContact ND2-OD1 3.02Å; N385-V406 WeakPolarHBondContact O-CA 3.34Å; N385-A407 PolarHBondContact O-N 3.06Å; N385-V457 PolarHBondContact ND2-O 3.42Å
386S68.5Low63.3Low26 Ų2637.4 Ų37.418%0.18219%0.186CC..EExtended strand (participates in β ladder)trans-120.6135.8-176.965.50000111.5Y384 L405Y384-S386 PolarHBondContact O-N 3.43Å; S386-L405 CarbonylContact C-O 3.54Å; S386-L405 VanDerWaalsContact CA-O 3.26Å; S386-L405 WeakPolarHBondContact CA-O 3.37Å
387S68.5Low61.4Low0 Ų041 Ų410%021%0.21CC..  trans-70.5133.2168.670.60000110.2L405 P460S387-L405 PolarHBondContact N-O 3.13Å; S387-L405 PolarHBondContact OG-N 3.35Å; S387-P460 WeakPolarHBondContact CA-O 3.48Å
388C61.6Low59.9Low1 Ų140.8 Ų40.81%0.00721%0.208CC..  trans-146.571.3168.1-179.20000108.4L390 P460 L462 I770C388-L390 PolarHBondContact O-N 3.44Å; C388-P460 PolarHBondContact N-O 2.81Å; C388-L462 HydrophobicContact CB-CD1 3.76Å; C388-L462 HydrophobicContact CB-CG 4.42Å; C388-L462 WeakPolarHBondContact O-CA 3.3Å; C388-L462 PolarHBondContact O-N 3.31Å; C388-I770 HydrophobicContact CB-CD1 4.37Å
389I55.4Low58.4Low2 Ų246.2 Ų46.21%0.0123%0.232CC..  trans-78127.1-175.3-57.8176.3000109.5T391 I401 N402 P460 L464 M475 L579I389-T391 HydrophobicContact CG2-CG2 3.52Å; I389-I401 HydrophobicContact CD1-CG2 3.94Å; I389-N402 WeakPolarHBondContact CB-OD1 3.35Å; I389-N402 PolarHBondContact N-OD1 2.83Å; I389-N402 PolarHBondContact O-ND2 2.84Å; I389-N402 PolarHBondContact O-OD1 3.04Å; I389-P460 HydrophobicContact CD1-CB 4Å; I389-P460 HydrophobicContact CG1-CB 3.97Å; I389-L464 HydrophobicContact CB-CD1 4.28Å; I389-L464 HydrophobicContact CD1-CD1 3.66Å; I389-L464 HydrophobicContact CG1-CD1 3.87Å; I389-L464 HydrophobicContact CG2-CB 4.09Å; I389-L464 HydrophobicContact CG2-CD1 3.46Å; I389-L464 VanDerWaalsContact CG2-CD1 3.46Å; I389-L464 HydrophobicContact CG2-CG 3.8Å; I389-M475 HydrophobicContact CD1-CE 3.34Å; I389-M475 HydrophobicContact CD1-SD 3.44Å; I389-M475 WeakPolarHBondContact CD1-SD 3.44Å; I389-M475 HydrophobicContact CG1-CE 4.02Å; I389-M475 HydrophobicContact CG1-SD 4.3Å; I389-L579 HydrophobicContact CD1-CD2 3.87Å
390L54.7Low57.2Low9 Ų943.6 Ų43.65%0.04722%0.224CC..  trans-111.6119.5167.9-62.7172.2000107.1C388 L462 W463 L464 P847C388-L390 PolarHBondContact O-N 3.44Å; L390-L462 HydrophobicContact CD1-CD2 3.42Å; L390-L462 VanDerWaalsContact CD1-CD2 3.42Å; L390-L462 HydrophobicContact CD1-CG 3.87Å; L390-L462 HydrophobicContact CG-CD2 4.41Å; L390-L462 HydrophobicContact CG-CG 4.38Å; L390-W463 HydrophobicContact CB-CD2 4.45Å; L390-W463 HydrophobicContact CB-CE3 3.74Å; L390-W463 HydrophobicContact CB-CZ3 3.81Å; L390-W463 HydrophobicContact CD1-CD2 4.26Å; L390-W463 HydrophobicContact CD1-CE3 3.94Å; L390-W463 HydrophobicContact CD1-CH2 3.36Å; L390-W463 HydrophobicContact CD1-CZ2 3.7Å; L390-W463 HydrophobicContact CD1-CZ3 3.5Å; L390-W463 HydrophobicContact CG-CZ3 4.3Å; L390-L464 PolarHBondContact O-N 2.99Å; L390-P847 HydrophobicContact CD2-CB 3.86Å; L390-P847 HydrophobicContact CD2-CG 4.23Å
391T49.1Very low56.3Low30 Ų3044.3 Ų44.318%0.18423%0.228CC..BIsolated β-bridgetrans-109.1143.9-178.470.90000109.6I389 C393 V398 C468I389-T391 HydrophobicContact CG2-CG2 3.52Å; T391-C393 PolarHBondContact O-N 3.19Å; T391-V398 HydrophobicContact CG2-CG1 4.27Å; T391-C468 WeakPolarHBondContact CG2-SG 3.28Å
392N45.2Very low55.9Low47 Ų4744.3 Ų44.325%0.25123%0.228SC..  trans-78.34.7178.1-77-11.9000113.4N466N392-N466 WeakPolarHBondContact CB-OD1 3.17Å
393C38.9Very low55.7Low32 Ų3243.8 Ų43.822%0.21623%0.225CC..  trans-91.8139.2-170.3-68.20000113.5T391 V395 C468T391-C393 PolarHBondContact O-N 3.19Å; C393-V395 PolarHBondContact O-N 2.86Å; C393-C468 HydrophobicContact CB-CB 4.25Å
394R38.9Very low56Low187 Ų18741.7 Ų41.771%0.70622%0.215SC*.  trans-57.9-0.9-177.5-73.5-172.6172.2179.1-1.4116.9I721R394-I721 HydrophobicContact CG-CD1 3.91Å; R394-I721 HydrophobicContact CG-CG1 4.17Å; R394-I721 HydrophobicContact CG-CG2 3.65Å
395V36.2Very low56.7Low76 Ų7640.3 Ų40.346%0.46121%0.209SC..  trans-106.9120.8-157.6-156.70000111.6C393 T397 V398C393-V395 PolarHBondContact O-N 2.86Å; V395-T397 WeakPolarHBondContact CB-OG1 3.38Å; V395-T397 HydrophobicContact CG1-CG2 3.55Å; V395-T397 WeakPolarHBondContact CG1-OG1 3.28Å; V395-T397 PolarHBondContact O-N 3.46Å; V395-V398 WeakPolarHBondContact O-CG2 3.48Å; V395-V398 PolarHBondContact O-N 3.15Å
396N40.3Very low57.6Low123 Ų12339.5 Ų39.566%0.65821%0.205SC*.G310 helixtrans-56.80.1169.2-83.6-24.7000114.3V398N396-V398 VanDerWaalsContact C-N 3.3Å
397T39.1Very low58.7Low94 Ų9438.2 Ų38.258%0.57720%0.196SC*.G310 helixtrans-77.3-10.8178.4520000113.5V395 K399 S400V395-T397 WeakPolarHBondContact CB-OG1 3.38Å; V395-T397 HydrophobicContact CG1-CG2 3.55Å; V395-T397 WeakPolarHBondContact CG1-OG1 3.28Å; V395-T397 PolarHBondContact O-N 3.46Å; T397-K399 PolarHBondContact O-N 3.28Å; T397-K399 VanDerWaalsContact O-N 3.11Å; T397-S400 PolarHBondContact O-OG 3.42Å; T397-S400 VanDerWaalsContact O-OG 3.11Å
398V47.8Very low59.8Low12 Ų1238.9 Ų38.97%0.07320%0.2CC..G310 helixtrans-68.4-9.6-177.6-177.30000113.5T391 V395 N396 S400 I401 N402T391-V398 HydrophobicContact CG2-CG1 4.27Å; V395-V398 WeakPolarHBondContact O-CG2 3.48Å; V395-V398 PolarHBondContact O-N 3.15Å; N396-V398 VanDerWaalsContact C-N 3.3Å; V398-S400 PolarHBondContact O-N 2.87Å; V398-S400 VanDerWaalsContact O-N 3.07Å; V398-I401 PolarHBondContact O-N 3.45Å; V398-I401 VanDerWaalsContact O-N 3.17Å; V398-N402 WeakPolarHBondContact CG1-ND2 3.35Å; V398-N402 PolarHBondContact O-N 2.88Å
399K49.6Very low61.3Low134 Ų13438.9 Ų38.958%0.58320%0.2SC*.G310 helixtrans-55.7-25.6175.7-77.7-171.7176.5-176.20113.5T397T397-K399 PolarHBondContact O-N 3.28Å; T397-K399 VanDerWaalsContact O-N 3.11Å
400S52.9Low63Low29 Ų2940.1 Ų40.120%0.20321%0.207CC..G310 helixtrans-78.2-30.3-179.852.40000114.1T397 V398 N473 N501T397-S400 PolarHBondContact O-OG 3.42Å; T397-S400 VanDerWaalsContact O-OG 3.11Å; V398-S400 PolarHBondContact O-N 2.87Å; V398-S400 VanDerWaalsContact O-N 3.07Å; S400-N473 PolarHBondContact OG-ND2 3.07Å; S400-N473 PolarHBondContact OG-OD1 3.46Å; S400-N501 PolarHBondContact O-ND2 2.65Å
401I62.1Low64.7Low14 Ų1440.2 Ų40.27%0.07221%0.21CC..THydrogen-bonded Turntrans-89.4-36.9-176.8-62.3171000110.1I389 V398 S403 M475I389-I401 HydrophobicContact CD1-CG2 3.94Å; V398-I401 PolarHBondContact O-N 3.45Å; V398-I401 VanDerWaalsContact O-N 3.17Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 3.22Å; I401-M475 HydrophobicContact CG2-CE 3.95Å; I401-M475 WeakPolarHBondContact O-CE 3.38Å
402N67.2Low66.7Low6 Ų640.4 Ų40.43%0.03221%0.21CC..  trans-84.470.8-178.7-84.4-30.2000113I389 V398 G404 P847I389-N402 WeakPolarHBondContact CB-OD1 3.35Å; I389-N402 PolarHBondContact N-OD1 2.83Å; I389-N402 PolarHBondContact O-ND2 2.84Å; I389-N402 PolarHBondContact O-OD1 3.04Å; V398-N402 WeakPolarHBondContact CG1-ND2 3.35Å; V398-N402 PolarHBondContact O-N 2.88Å; N402-G404 VanDerWaalsContact C-N 3.33Å; N402-P847 HydrophobicContact CB-CG 4.38Å
403S73.7Confident69Low1 Ų138.6 Ų38.61%0.00720%0.201CC..  trans-85.3-1.3-180580000114.6I401 L405 C418 F419 A420 N501I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 3.22Å; S403-L405 VanDerWaalsContact C-N 3.3Å; S403-C418 CarbonylContact O-C 3.59Å; S403-C418 PolarHBondContact OG-SG 3.28Å; S403-F419 PolarHBondContact O-N 3.47Å; S403-F419 VanDerWaalsContact O-N 3.16Å; S403-A420 VanDerWaalsContact O-CB 3.24Å; S403-A420 WeakPolarHBondContact O-CB 3.47Å; S403-A420 PolarHBondContact O-N 3.19Å; S403-N501 WeakPolarHBondContact CB-ND2 3.5Å; S403-N501 WeakPolarHBondContact CB-OD1 3.42Å; S403-N501 PolarHBondContact OG-OD1 2.97Å
404G82.1Confident71.6Confident0 Ų037.1 Ų37.10%019%0.191CC..  trans59.445.1-171.800000110.8N402 V406 F419N402-G404 VanDerWaalsContact C-N 3.33Å; G404-V406 PolarHBondContact O-N 2.81Å; G404-F419 PolarHBondContact O-N 3.25Å
405L87.5Confident74.2Confident0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-62.5127.7178.9176.964.1000109.4S386 S387 S403 M416 S417 I459 M475 I499 P528S386-L405 CarbonylContact C-O 3.54Å; S386-L405 VanDerWaalsContact CA-O 3.26Å; S386-L405 WeakPolarHBondContact CA-O 3.37Å; S387-L405 PolarHBondContact N-O 3.13Å; S387-L405 PolarHBondContact OG-N 3.35Å; S403-L405 VanDerWaalsContact C-N 3.3Å; L405-M416 HydrophobicContact CD1-CB 4.11Å; L405-S417 CarbonylContact C-O 3.5Å; L405-S417 WeakPolarHBondContact CA-O 3.12Å; L405-I459 HydrophobicContact CD2-CD1 4.02Å; L405-I459 HydrophobicContact CD2-CG2 4.43Å; L405-I459 HydrophobicContact CG-CD1 4.13Å; L405-M475 HydrophobicContact CD2-CG 4.12Å; L405-I499 HydrophobicContact CD2-CB 4.47Å; L405-I499 HydrophobicContact CD2-CG1 4.39Å; L405-I499 HydrophobicContact CD2-CG2 4.22Å; L405-P528 HydrophobicContact CD1-CB 3.7Å; L405-P528 HydrophobicContact CD1-CG 3.92Å
406V90.2Very high76.9Confident6 Ų625.5 Ų25.54%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-121.4130.8172.1176.50000108.2Y384 N385 G404 V408 M416 S417 F419 V843 T844Y384-V406 HydrophobicContact CD1-CG1 3.79Å; Y384-V406 HydrophobicContact CE1-CG1 4.48Å; Y384-V406 HydrophobicContact CG-CG1 4.5Å; N385-V406 WeakPolarHBondContact O-CA 3.34Å; G404-V406 PolarHBondContact O-N 2.81Å; V406-V408 HydrophobicContact CG1-CG2 4.24Å; V406-M416 WeakPolarHBondContact O-CA 3.47Å; V406-S417 PolarHBondContact N-O 2.93Å; V406-S417 PolarHBondContact O-N 3.46Å; V406-F419 HydrophobicContact CB-CD2 4.15Å; V406-F419 HydrophobicContact CB-CE2 3.77Å; V406-F419 HydrophobicContact CG1-CE2 4.44Å; V406-F419 HydrophobicContact CG2-CD2 3.61Å; V406-F419 HydrophobicContact CG2-CE2 3.6Å; V406-V843 HydrophobicContact CG1-CG1 4.39Å; V406-V843 HydrophobicContact CG2-CG1 4.01Å; V406-T844 HydrophobicContact CG2-CG2 4.12Å
407A91.5Very high79.2Confident0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-116.8133.9176.200000111.1N3 N385 V414 E415 M416 V457 I459 M477N3-A407 PolarHBondContact ND2-O 2.91Å; N385-A407 PolarHBondContact O-N 3.06Å; A407-V414 HydrophobicContact CB-CG1 3.8Å; A407-E415 CarbonylContact C-O 3.6Å; A407-E415 WeakPolarHBondContact CA-O 3.41Å; A407-M416 HydrophobicContact CB-CG 4.34Å; A407-V457 HydrophobicContact CB-CG1 3.94Å; A407-I459 HydrophobicContact CB-CD1 3.56Å; A407-M477 HydrophobicContact CB-SD 4.41Å
408V92Very high81.5Confident14 Ų1415.7 Ų15.79%0.0858%0.084CC..EExtended strand (participates in β ladder)trans-126.1132-177.1-178.90000109.8M1 N3 Y384 V406 V414 E415M1-V408 HydrophobicContact CB-CG1 4.14Å; M1-V408 WeakPolarHBondContact O-CG1 3.43Å; M1-V408 WeakPolarHBondContact O-CG2 3.46Å; N3-V408 VanDerWaalsContact OD1-CA 3.29Å; N3-V408 WeakPolarHBondContact OD1-CA 3.16Å; Y384-V408 HydrophobicContact CD1-CG2 4.49Å; Y384-V408 HydrophobicContact CE1-CG2 4.44Å; V406-V408 HydrophobicContact CG1-CG2 4.24Å; V408-V414 WeakPolarHBondContact O-CA 3.38Å; V408-E415 PolarHBondContact N-O 2.97Å; V408-E415 PolarHBondContact O-N 3.47Å
409I92.1Very high83.4Confident0 Ų015.6 Ų15.60%08%0.083CC..EExtended strand (participates in β ladder)trans-79.3134.3177.7-63.8170.7000109.5N3 K319 F453 V454 V457N3-I409 HydrophobicContact CB-CD1 4.47Å; N3-I409 PolarHBondContact OD1-N 2.96Å; K319-I409 VanDerWaalsContact CD-O 3.27Å; K319-I409 WeakPolarHBondContact CD-O 3.22Å; K319-I409 PolarHBondContact NZ-O 3.47Å; I409-F453 HydrophobicContact CG2-CZ 4.15Å; I409-V454 HydrophobicContact CD1-CG1 4.11Å; I409-V454 HydrophobicContact CG1-CG1 3.92Å; I409-V454 HydrophobicContact CG2-CB 4.06Å; I409-V454 HydrophobicContact CG2-CG1 4.35Å; I409-V454 WeakPolarHBondContact CG2-O 3.34Å; I409-V457 HydrophobicContact CD1-CG2 4.03Å; I409-V457 HydrophobicContact CG1-CG2 3.72Å
410N91.9Very high85Confident28 Ų2810 Ų1015%0.156%0.062CC..EExtended strand (participates in β ladder)trans-143.791.6169-177.217.4000109.6S317 T318 N412 T413 E415S317-N410 WeakPolarHBondContact CA-OD1 3.24Å; S317-N410 VanDerWaalsContact CB-OD1 3.25Å; S317-N410 WeakPolarHBondContact CB-OD1 3.46Å; T318-N410 PolarHBondContact N-OD1 3.37Å; T318-N410 CarbonylContact O-C 3.55Å; T318-N410 WeakPolarHBondContact O-CA 3.35Å; N410-N412 PolarHBondContact O-N 3.27Å; N410-T413 PolarHBondContact N-O 3.02Å; N410-T413 WeakPolarHBondContact O-CB 3.44Å; N410-T413 PolarHBondContact O-N 2.95Å; N410-T413 PolarHBondContact O-OG1 3.32Å; N410-E415 PolarHBondContact ND2-OE1 3.15Å
411G90.1Very high86.4Confident12 Ų1212.8 Ų12.812%0.1247%0.068CC..THydrogen-bonded Turntrans66.2-119.7-179.500000112.1T318 T413 F453 V454T318-G411 PolarHBondContact O-N 3.4Å; G411-T413 PolarHBondContact O-N 3.08Å; G411-F453 VanDerWaalsContact O-CD2 3.27Å; G411-F453 WeakPolarHBondContact O-CD2 3.2Å; G411-F453 WeakPolarHBondContact O-CE2 3.43Å; G411-V454 PolarHBondContact O-N 3.05Å
412N91Very high87.3Confident33 Ų3313 Ų1318%0.1767%0.072CC..THydrogen-bonded Turntrans-86.114174.271.6-37.6000113.2N410 F435 P452N410-N412 PolarHBondContact O-N 3.27Å; N412-F435 PolarHBondContact ND2-O 3.49Å; N412-F435 VanDerWaalsContact ND2-O 3.15Å; N412-F435 WeakPolarHBondContact O-CD2 3.47Å; N412-F435 PolarHBondContact O-N 2.99Å; N412-P452 WeakPolarHBondContact CA-O 3.43Å; N412-P452 WeakPolarHBondContact CB-O 3.45Å
413T93.6Very high88.3Confident10 Ų1015 Ų156%0.0618%0.084CC..EExtended strand (participates in β ladder)trans-125.4152.4-175.673.70000113.4N410 G411 R432 L433 V434N410-T413 PolarHBondContact N-O 3.02Å; N410-T413 WeakPolarHBondContact O-CB 3.44Å; N410-T413 PolarHBondContact O-N 2.95Å; N410-T413 PolarHBondContact O-OG1 3.32Å; G411-T413 PolarHBondContact O-N 3.08Å; T413-R432 HydrophobicContact CG2-CG 4.23Å; T413-L433 CarbonylContact C-O 3.54Å; T413-L433 WeakPolarHBondContact CA-O 3.45Å; T413-L433 VanDerWaalsContact CB-O 3.27Å; T413-L433 WeakPolarHBondContact CB-O 3.49Å; T413-V434 HydrophobicContact CG2-CB 4.35Å; T413-V434 HydrophobicContact CG2-CG1 4.13Å; T413-V434 HydrophobicContact CG2-CG2 3.96Å
414V94.2Very high88.9Confident0 Ų015.6 Ų15.60%09%0.087CC..EExtended strand (participates in β ladder)trans-119.6115.1168.1178.70000109A407 V408 M416 R432 L433 F435 V454 V457 I479A407-V414 HydrophobicContact CB-CG1 3.8Å; V408-V414 WeakPolarHBondContact O-CA 3.38Å; V414-M416 HydrophobicContact CG1-CG 4.16Å; V414-R432 CarbonylContact O-C 3.52Å; V414-R432 WeakPolarHBondContact O-CA 3.49Å; V414-L433 HydrophobicContact CB-CB 4.31Å; V414-L433 PolarHBondContact N-O 3.49Å; V414-L433 PolarHBondContact O-N 3.4Å; V414-F435 HydrophobicContact CG2-CE2 4.02Å; V414-V454 HydrophobicContact CG2-CB 4.4Å; V414-V454 HydrophobicContact CG2-CG1 3.82Å; V414-V454 HydrophobicContact CG2-CG2 3.99Å; V414-V457 HydrophobicContact CG1-CG2 4.27Å; V414-V457 HydrophobicContact CG2-CG2 3.68Å; V414-I479 HydrophobicContact CB-CD1 4.31Å; V414-I479 HydrophobicContact CG1-CD1 4.45Å; V414-I479 HydrophobicContact CG2-CD1 3.88Å
415E93.6Very high89Confident19 Ų1918.5 Ų18.59%0.08911%0.105CC..EExtended strand (participates in β ladder)trans-95.2125.6-179.6-65.4174.6166.900109.4A407 V408 N410 F429 R432A407-E415 CarbonylContact C-O 3.6Å; A407-E415 WeakPolarHBondContact CA-O 3.41Å; V408-E415 PolarHBondContact N-O 2.97Å; V408-E415 PolarHBondContact O-N 3.47Å; N410-E415 PolarHBondContact ND2-OE1 3.15Å; E415-F429 HydrophobicContact CB-CB 3.86Å; E415-F429 HydrophobicContact CB-CD1 3.83Å; E415-F429 HydrophobicContact CB-CD2 4.33Å; E415-F429 HydrophobicContact CB-CG 3.71Å; E415-F429 VanDerWaalsContact CD-CE1 3.47Å; E415-F429 HydrophobicContact CG-CD1 3.56Å; E415-F429 HydrophobicContact CG-CD2 4.28Å; E415-F429 HydrophobicContact CG-CE1 3.87Å; E415-F429 HydrophobicContact CG-CG 3.83Å; E415-F429 HydrophobicContact CG-CZ 4.38Å; E415-F429 VanDerWaalsContact OE1-CE1 3.22Å; E415-F429 WeakPolarHBondContact OE1-CE1 3.34Å; E415-R432 IonicContact OE1-CZ 3.12Å; E415-R432 IonicContact OE1-NE 3.87Å; E415-R432 IonicContact OE1-NH2 3.08Å; E415-R432 PolarHBondContact OE1-NH2 3.43Å
416M92.2Very high88.8Confident0 Ų019.3 Ų19.30%011%0.111CC..EExtended strand (participates in β ladder)trans-121.8142.1-169.6-61.8-174.3-60.900112.2L405 V406 A407 V414 A430 T431 L433 M477 I499 P528L405-M416 HydrophobicContact CD1-CB 4.11Å; V406-M416 WeakPolarHBondContact O-CA 3.47Å; A407-M416 HydrophobicContact CB-CG 4.34Å; V414-M416 HydrophobicContact CG1-CG 4.16Å; M416-A430 WeakPolarHBondContact O-CB 3.49Å; M416-A430 PolarHBondContact O-N 3.04Å; M416-T431 HydrophobicContact CE-CG2 3.71Å; M416-T431 PolarHBondContact N-O 3.49Å; M416-T431 PolarHBondContact O-N 3.34Å; M416-T431 VanDerWaalsContact O-N 3.16Å; M416-L433 HydrophobicContact CE-CD1 4.07Å; M416-L433 HydrophobicContact CE-CD2 4.13Å; M416-L433 HydrophobicContact CE-CG 3.82Å; M416-L433 HydrophobicContact SD-CD1 4.14Å; M416-L433 HydrophobicContact SD-CG 4.42Å; M416-M477 HydrophobicContact SD-CE 3.81Å; M416-M477 HydrophobicContact SD-SD 4.29Å; M416-I499 HydrophobicContact CE-CD1 4.02Å; M416-I499 HydrophobicContact SD-CD1 3.89Å; M416-I499 HydrophobicContact SD-CG1 4.48Å; M416-P528 HydrophobicContact CB-CB 4.39Å; M416-P528 HydrophobicContact CB-CG 3.76Å; M416-P528 HydrophobicContact CE-CB 4.49Å
417S89.8Confident88.4Confident9 Ų920.9 Ų20.96%0.06312%0.121CC..EExtended strand (participates in β ladder)trans-145.5140.1173.1-65.10000111.8L405 V406 A430L405-S417 CarbonylContact C-O 3.5Å; L405-S417 WeakPolarHBondContact CA-O 3.12Å; V406-S417 PolarHBondContact N-O 2.93Å; V406-S417 PolarHBondContact O-N 3.46Å; S417-A430 PolarHBondContact OG-N 3.22Å
418C87.1Confident88.2Confident2 Ų225.2 Ų25.21%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-104.8100.9176.1-750000110.8S403 A420 Y421 S422 N501S403-C418 CarbonylContact O-C 3.59Å; S403-C418 PolarHBondContact OG-SG 3.28Å; C418-A420 VanDerWaalsContact C-N 3.25Å; C418-A420 PolarHBondContact O-N 2.74Å; C418-Y421 HydrophobicContact CB-CD2 3.78Å; C418-Y421 HydrophobicContact CB-CE2 4.23Å; C418-Y421 PolarHBondContact O-N 3.4Å; C418-S422 PolarHBondContact O-N 3.03Å; C418-N501 PolarHBondContact SG-OD1 3.24Å
419F87.3Confident88.1Confident10 Ų1025.3 Ų25.34%0.04414%0.142CC..THydrogen-bonded Turntrans-72.3-11.8-172.7-74.8-70.5000115.1S403 G404 V406 Y421 V423 V843 T844 I853 L861S403-F419 PolarHBondContact O-N 3.47Å; S403-F419 VanDerWaalsContact O-N 3.16Å; G404-F419 PolarHBondContact O-N 3.25Å; V406-F419 HydrophobicContact CB-CD2 4.15Å; V406-F419 HydrophobicContact CB-CE2 3.77Å; V406-F419 HydrophobicContact CG1-CE2 4.44Å; V406-F419 HydrophobicContact CG2-CD2 3.61Å; V406-F419 HydrophobicContact CG2-CE2 3.6Å; F419-Y421 VanDerWaalsContact C-N 3.25Å; F419-Y421 PolarHBondContact O-N 3.25Å; F419-V423 HydrophobicContact CD1-CB 4.4Å; F419-V423 HydrophobicContact CD1-CG1 4.29Å; F419-V423 HydrophobicContact CD1-CG2 4.34Å; F419-V423 HydrophobicContact CE1-CG1 4.21Å; F419-V843 HydrophobicContact CE2-CG1 4.21Å; F419-T844 HydrophobicContact CB-CG2 4.03Å; F419-T844 HydrophobicContact CD2-CG2 3.88Å; F419-T844 HydrophobicContact CG-CG2 4.22Å; F419-I853 HydrophobicContact CB-CG1 3.85Å; F419-I853 HydrophobicContact CD1-CG1 4.12Å; F419-I853 HydrophobicContact CD1-CG2 4.23Å; F419-I853 HydrophobicContact CE1-CG2 4.35Å; F419-I853 HydrophobicContact CG-CG1 4.03Å; F419-L861 HydrophobicContact CE1-CD1 3.39Å; F419-L861 HydrophobicContact CZ-CD1 3.51Å
420A82.7Confident88.1Confident18 Ų1825.4 Ų25.415%0.14914%0.142CC..THydrogen-bonded Turntrans-60.1-36.5169.900000113.1S403 C418 I846 K851S403-A420 VanDerWaalsContact O-CB 3.24Å; S403-A420 WeakPolarHBondContact O-CB 3.47Å; S403-A420 PolarHBondContact O-N 3.19Å; C418-A420 VanDerWaalsContact C-N 3.25Å; C418-A420 PolarHBondContact O-N 2.74Å; A420-I846 HydrophobicContact CB-CD1 3.74Å; A420-I846 HydrophobicContact CB-CG2 4.49Å; A420-K851 PolarHBondContact O-NZ 3.18Å
421Y82.9Confident88.1Confident86 Ų8624 Ų2434%0.33714%0.135SC..THydrogen-bonded Turntrans-101.5-41.1-171.4-51.2-65.5000112.8C418 F419 N501 T526C418-Y421 HydrophobicContact CB-CD2 3.78Å; C418-Y421 HydrophobicContact CB-CE2 4.23Å; C418-Y421 PolarHBondContact O-N 3.4Å; F419-Y421 VanDerWaalsContact C-N 3.25Å; F419-Y421 PolarHBondContact O-N 3.25Å; Y421-N501 HydrophobicContact CE2-CB 4.01Å; Y421-T526 WeakPolarHBondContact CB-OG1 3.37Å
422S80.9Confident88.3Confident20 Ų2026.2 Ų26.214%0.1414%0.14CC..  trans-149.4134.8-177.957.50000112.1C418 I424C418-S422 PolarHBondContact O-N 3.03Å; S422-I424 PolarHBondContact O-N 3.27Å
423V87.1Confident88.4Confident47 Ų4724.7 Ų24.729%0.28513%0.131SC..  trans-89.794.8172.1-1750000108.5F419 I853 L861 E863F419-V423 HydrophobicContact CD1-CB 4.4Å; F419-V423 HydrophobicContact CD1-CG1 4.29Å; F419-V423 HydrophobicContact CD1-CG2 4.34Å; F419-V423 HydrophobicContact CE1-CG1 4.21Å; V423-I853 HydrophobicContact CG2-CD1 3.84Å; V423-L861 HydrophobicContact CG1-CB 3.97Å; V423-L861 HydrophobicContact CG1-CD1 4.25Å; V423-E863 HydrophobicContact CG2-CB 4.14Å; V423-E863 WeakPolarHBondContact CG2-OE2 3.27Å
424I86.7Confident88.5Confident13 Ų1324.6 Ų24.67%0.06713%0.131CC..PPolyproline II helixtrans-89.5120179.2-60.3172.8000108.1S422 M428 A430 N521 L861S422-I424 PolarHBondContact O-N 3.27Å; I424-M428 HydrophobicContact CG2-CB 3.54Å; I424-M428 HydrophobicContact CG2-CE 4.3Å; I424-A430 HydrophobicContact CD1-CB 3.58Å; I424-N521 HydrophobicContact CD1-CB 4.14Å; I424-L861 WeakPolarHBondContact O-CD1 3.42Å
425P84.9Confident88.4Confident61 Ų6124.7 Ų24.740%0.39613%0.131SC..PPolyproline II helixtrans-74139.9-177.629.7-34.1000111.3M428P425-M428 HydrophobicContact CG-SD 4.48Å; P425-M428 WeakPolarHBondContact O-CA 3.37Å; P425-M428 VanDerWaalsContact O-CB 3.29Å; P425-M428 WeakPolarHBondContact O-CB 3.36Å; P425-M428 PolarHBondContact O-N 3.29Å
426P83.1Confident88Confident17 Ų1728.4 Ų28.411%0.1115%0.145CC..THydrogen-bonded Turntrans-57144.1167.4-2332.9000110.3N313 L861N313-P426 PolarHBondContact ND2-O 3.07Å; P426-L861 HydrophobicContact CG-CD1 4.38Å; P426-L861 HydrophobicContact CG-CD2 4.43Å; P426-L861 HydrophobicContact CG-CG 4.22Å
427P81.8Confident87.2Confident39 Ų3930.7 Ų30.725%0.25316%0.161SC..THydrogen-bonded Turncis-88.365.935.4-35.1000114.6Q315Q315-P427 HydrophobicContact CB-CB 3.81Å; Q315-P427 HydrophobicContact CB-CG 3.99Å; Q315-P427 HydrophobicContact CG-CB 4Å; Q315-P427 HydrophobicContact CG-CG 4.42Å
428M87.8Confident86Confident92 Ų9234.2 Ų34.245%0.45318%0.179SC..  trans-69.2156.2177.6-61.61684700111.4I424 P425 N521I424-M428 HydrophobicContact CG2-CB 3.54Å; I424-M428 HydrophobicContact CG2-CE 4.3Å; P425-M428 HydrophobicContact CG-SD 4.48Å; P425-M428 WeakPolarHBondContact O-CA 3.37Å; P425-M428 VanDerWaalsContact O-CB 3.29Å; P425-M428 WeakPolarHBondContact O-CB 3.36Å; P425-M428 PolarHBondContact O-N 3.29Å; M428-N521 WeakPolarHBondContact CE-OD1 3.41Å
429F90Very high84.3Confident16 Ų1639.3 Ų39.37%0.0722%0.215CC..  trans-145.7165.6177.149.7-92.2000109.4E415 R432 H520 N521E415-F429 HydrophobicContact CB-CB 3.86Å; E415-F429 HydrophobicContact CB-CD1 3.83Å; E415-F429 HydrophobicContact CB-CD2 4.33Å; E415-F429 HydrophobicContact CB-CG 3.71Å; E415-F429 VanDerWaalsContact CD-CE1 3.47Å; E415-F429 HydrophobicContact CG-CD1 3.56Å; E415-F429 HydrophobicContact CG-CD2 4.28Å; E415-F429 HydrophobicContact CG-CE1 3.87Å; E415-F429 HydrophobicContact CG-CG 3.83Å; E415-F429 HydrophobicContact CG-CZ 4.38Å; E415-F429 VanDerWaalsContact OE1-CE1 3.22Å; E415-F429 WeakPolarHBondContact OE1-CE1 3.34Å; F429-R432 HydrophobicContact CD2-CB 4.11Å; F429-R432 VanDerWaalsContact CE1-NH2 3.25Å; F429-R432 HydrophobicContact CE2-CB 3.58Å; F429-R432 HydrophobicContact CE2-CG 4.49Å; F429-R432 HydrophobicContact CZ-CB 4.27Å; F429-R432 VanDerWaalsContact CZ-NE 3.28Å; F429-H520 HydrophobicContact CD2-CB 4.3Å; F429-H520 HydrophobicContact CE2-CB 3.82Å; F429-H520 AromaticContact CE2-CD2 3.51Å; F429-H520 AromaticContact CE2-CG 3.47Å; F429-H520 VanDerWaalsContact CE2-CG 3.47Å; F429-H520 AromaticContact CE2-ND1 3.93Å; F429-H520 AromaticContact CE2-NE2 3.98Å; F429-H520 AromaticContact CZ-CG 3.99Å; F429-H520 AromaticContact CZ-ND1 3.96Å; F429-N521 WeakPolarHBondContact O-CB 3.38Å; F429-N521 PolarHBondContact O-ND2 3.47Å
430A90.6Very high82.2Confident1 Ų142.6 Ų42.61%0.00824%0.244CC..SBendtrans-81.2-51.3179.200000112M416 S417 I424 H520 N521 P528M416-A430 WeakPolarHBondContact O-CB 3.49Å; M416-A430 PolarHBondContact O-N 3.04Å; S417-A430 PolarHBondContact OG-N 3.22Å; I424-A430 HydrophobicContact CD1-CB 3.58Å; A430-H520 PolarHBondContact O-N 3.18Å; A430-N521 WeakPolarHBondContact CA-O 3.27Å; A430-N521 WeakPolarHBondContact CB-O 3.28Å; A430-N521 PolarHBondContact O-N 2.62Å; A430-N521 VanDerWaalsContact O-N 3.12Å; A430-P528 HydrophobicContact CB-CG 4.37Å
431T92.4Very high80.1Confident0 Ų049.3 Ų49.30%028%0.277CS..EExtended strand (participates in β ladder)trans-134.9143.8-174.4-52.70000109.5M416 E518 P528 W529M416-T431 HydrophobicContact CE-CG2 3.71Å; M416-T431 PolarHBondContact N-O 3.49Å; M416-T431 PolarHBondContact O-N 3.34Å; M416-T431 VanDerWaalsContact O-N 3.16Å; T431-E518 CarbonylContact C-O 3.03Å; T431-E518 WeakPolarHBondContact CA-O 3.24Å; T431-E518 WeakPolarHBondContact CG2-O 3.44Å; T431-P528 WeakPolarHBondContact CB-O 3.43Å; T431-P528 WeakPolarHBondContact CG2-O 3.25Å; T431-P528 PolarHBondContact OG1-O 3.36Å; T431-W529 HydrophobicContact CG2-CE3 3.74Å; T431-W529 HydrophobicContact CG2-CZ3 3.92Å
432R93.7Very high78Confident58 Ų5850.8 Ų50.822%0.21929%0.287CS..EExtended strand (participates in β ladder)trans-119.7132.5175.2176.8-176.2-75.7174.4-10.2109.6T413 V414 E415 F429 V434 S517 E518T413-R432 HydrophobicContact CG2-CG 4.23Å; V414-R432 CarbonylContact O-C 3.52Å; V414-R432 WeakPolarHBondContact O-CA 3.49Å; E415-R432 IonicContact OE1-CZ 3.12Å; E415-R432 IonicContact OE1-NE 3.87Å; E415-R432 IonicContact OE1-NH2 3.08Å; E415-R432 PolarHBondContact OE1-NH2 3.43Å; F429-R432 HydrophobicContact CD2-CB 4.11Å; F429-R432 VanDerWaalsContact CE1-NH2 3.25Å; F429-R432 HydrophobicContact CE2-CB 3.58Å; F429-R432 HydrophobicContact CE2-CG 4.49Å; F429-R432 HydrophobicContact CZ-CB 4.27Å; F429-R432 VanDerWaalsContact CZ-NE 3.28Å; R432-V434 HydrophobicContact CG-CG2 3.82Å; R432-S517 CarbonylContact O-C 3.54Å; R432-S517 WeakPolarHBondContact O-CA 3.36Å; R432-E518 PolarHBondContact N-O 3.29Å; R432-E518 PolarHBondContact O-N 2.65Å
433L94.6Very high75.8Confident0 Ų055.7 Ų55.70%032%0.321CS..EExtended strand (participates in β ladder)trans-97.9133.5163.6-58.7178.1000108.4T413 V414 M416 F435 M477 I479 I497 Y516 P530T413-L433 CarbonylContact C-O 3.54Å; T413-L433 WeakPolarHBondContact CA-O 3.45Å; T413-L433 VanDerWaalsContact CB-O 3.27Å; T413-L433 WeakPolarHBondContact CB-O 3.49Å; V414-L433 HydrophobicContact CB-CB 4.31Å; V414-L433 PolarHBondContact N-O 3.49Å; V414-L433 PolarHBondContact O-N 3.4Å; M416-L433 HydrophobicContact CE-CD1 4.07Å; M416-L433 HydrophobicContact CE-CD2 4.13Å; M416-L433 HydrophobicContact CE-CG 3.82Å; M416-L433 HydrophobicContact SD-CD1 4.14Å; M416-L433 HydrophobicContact SD-CG 4.42Å; L433-F435 HydrophobicContact CB-CE2 3.93Å; L433-F435 HydrophobicContact CB-CZ 4.32Å; L433-M477 HydrophobicContact CD1-CE 3.57Å; L433-I479 HydrophobicContact CD1-CD1 4.05Å; L433-I497 HydrophobicContact CD1-CD1 3.71Å; L433-Y516 CarbonylContact C-O 3.47Å; L433-Y516 VanDerWaalsContact CA-O 3.31Å; L433-Y516 WeakPolarHBondContact CA-O 3.49Å; L433-P530 HydrophobicContact CD2-CB 4.4Å; L433-P530 HydrophobicContact CD2-CG 3.8Å
434V94.3Very high73.5Confident9 Ų959.3 Ų59.36%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-120.9128.8179.3-171.60000108.7T413 R432 Y436 V515 Y516T413-V434 HydrophobicContact CG2-CB 4.35Å; T413-V434 HydrophobicContact CG2-CG1 4.13Å; T413-V434 HydrophobicContact CG2-CG2 3.96Å; R432-V434 HydrophobicContact CG-CG2 3.82Å; V434-Y436 HydrophobicContact CB-CE2 4.03Å; V434-Y436 HydrophobicContact CG1-CD2 4.23Å; V434-Y436 HydrophobicContact CG1-CE1 4.25Å; V434-Y436 HydrophobicContact CG1-CE2 3.48Å; V434-Y436 VanDerWaalsContact CG1-CE2 3.48Å; V434-Y436 VanDerWaalsContact CG1-CZ 3.5Å; V434-V515 CarbonylContact O-C 3.59Å; V434-V515 WeakPolarHBondContact O-CA 3.35Å; V434-Y516 PolarHBondContact N-O 2.98Å; V434-Y516 PolarHBondContact O-N 3.3Å
435F91.9Very high71.2Confident1 Ų169 Ų690%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-105.4135.4-178.7-63.8-93.3000110.4N412 V414 L433 P452 V454 I479 T481 Y495 I497 E514 V515N412-F435 PolarHBondContact ND2-O 3.49Å; N412-F435 VanDerWaalsContact ND2-O 3.15Å; N412-F435 WeakPolarHBondContact O-CD2 3.47Å; N412-F435 PolarHBondContact O-N 2.99Å; V414-F435 HydrophobicContact CG2-CE2 4.02Å; L433-F435 HydrophobicContact CB-CE2 3.93Å; L433-F435 HydrophobicContact CB-CZ 4.32Å; F435-P452 HydrophobicContact CB-CG 4.06Å; F435-P452 WeakPolarHBondContact O-CG 3.39Å; F435-V454 HydrophobicContact CD2-CG2 3.67Å; F435-V454 HydrophobicContact CE2-CG2 4.04Å; F435-V454 HydrophobicContact CG-CG2 4.41Å; F435-I479 HydrophobicContact CE1-CG2 4.26Å; F435-I479 HydrophobicContact CE2-CD1 4.12Å; F435-I479 HydrophobicContact CE2-CG2 4.16Å; F435-I479 HydrophobicContact CZ-CB 4.26Å; F435-I479 HydrophobicContact CZ-CD1 3.63Å; F435-I479 HydrophobicContact CZ-CG2 3.79Å; F435-T481 HydrophobicContact CB-CG2 4.23Å; F435-T481 HydrophobicContact CD1-CG2 3.76Å; F435-T481 HydrophobicContact CD2-CG2 4.41Å; F435-T481 HydrophobicContact CE1-CG2 4.26Å; F435-T481 HydrophobicContact CG-CG2 3.87Å; F435-Y495 HydrophobicContact CD1-CD2 4.04Å; F435-Y495 AromaticContact CD1-CE2 3.87Å; F435-Y495 HydrophobicContact CD1-CE2 3.87Å; F435-Y495 AromaticContact CE1-CD2 3.72Å; F435-Y495 HydrophobicContact CE1-CD2 3.72Å; F435-Y495 HydrophobicContact CE1-CE2 4.03Å; F435-Y495 HydrophobicContact CE1-CG 4.08Å; F435-I497 HydrophobicContact CZ-CD1 4.38Å; F435-E514 CarbonylContact C-O 3.48Å; F435-E514 WeakPolarHBondContact CA-O 3.37Å; F435-V515 HydrophobicContact CD1-CG1 4.45Å; F435-V515 HydrophobicContact CD1-CG2 3.66Å; F435-V515 HydrophobicContact CE1-CB 4.47Å; F435-V515 HydrophobicContact CE1-CG1 4.05Å; F435-V515 HydrophobicContact CE1-CG2 3.6Å; F435-V515 HydrophobicContact CZ-CG1 4.3Å
436Y85.9Confident69.2Low98 Ų9872.2 Ų72.238%0.38439%0.393SS..  trans-128.5151.3178-63.6-81000111.2V434 P452 E514 Y516V434-Y436 HydrophobicContact CB-CE2 4.03Å; V434-Y436 HydrophobicContact CG1-CD2 4.23Å; V434-Y436 HydrophobicContact CG1-CE1 4.25Å; V434-Y436 HydrophobicContact CG1-CE2 3.48Å; V434-Y436 VanDerWaalsContact CG1-CE2 3.48Å; V434-Y436 VanDerWaalsContact CG1-CZ 3.5Å; Y436-P452 VanDerWaalsContact C-CG 3.49Å; Y436-E514 PolarHBondContact N-O 3.05Å; Y436-Y516 AromaticContact CD2-CD2 3.42Å; Y436-Y516 HydrophobicContact CD2-CD2 3.42Å; Y436-Y516 VanDerWaalsContact CD2-CD2 3.42Å; Y436-Y516 AromaticContact CD2-CE2 3.64Å; Y436-Y516 HydrophobicContact CD2-CE2 3.64Å; Y436-Y516 AromaticContact CE2-CD2 3.35Å; Y436-Y516 HydrophobicContact CE2-CD2 3.35Å; Y436-Y516 AromaticContact CE2-CE2 3.77Å; Y436-Y516 HydrophobicContact CE2-CE2 3.77Å; Y436-Y516 HydrophobicContact CE2-CG 4.21Å
437S74.9Confident67.6Low47 Ų4776.3 Ų76.333%0.32941%0.411SS..  trans-74.9139.817154.90000110.1S439S437-S439 PolarHBondContact O-N 3.46Å
438N64.7Low66.1Low84 Ų8475.6 Ų75.645%0.44941%0.407SS..  trans-72.293.3-178.2-151-20.3000111.1A440 E514N438-A440 VanDerWaalsContact C-N 3.28Å; N438-A440 PolarHBondContact O-N 3.21Å; N438-E514 HydrophobicContact CB-CG 3.94Å; N438-E514 WeakPolarHBondContact CB-OE1 3.32Å; N438-E514 PolarHBondContact ND2-OE1 3.43Å
439S52.1Low64.5Low108 Ų10877.6 Ų77.676%0.75542%0.42SS*.THydrogen-bonded Turntrans-83.86.5-174.858.20000114.3S437 N441S437-S439 PolarHBondContact O-N 3.46Å; S439-N441 PolarHBondContact O-N 3.06Å
440A42.1Very low63.2Low80 Ų8077.6 Ų77.666%0.66142%0.419SS*.THydrogen-bonded Turntrans-82.3-10-168.700000115.6N438N438-A440 VanDerWaalsContact C-N 3.28Å; N438-A440 PolarHBondContact O-N 3.21Å
441N39.9Very low62.3Low158 Ų15880.6 Ų80.685%0.84544%0.438SS*.SBendtrans-125.815.5-168.9-91.9-14.3000117.6S439S439-N441 PolarHBondContact O-N 3.06Å
442Q37.9Very low61.8Low117 Ų11780.8 Ų80.855%0.54744%0.439SS..  trans-130107.6177.7-72.4176.7-6.800112.6N444Q442-N444 PolarHBondContact O-N 3.02Å; Q442-N444 VanDerWaalsContact O-N 3.1Å
443S36.2Very low61.5Low123 Ų12378.5 Ų78.586%0.8643%0.431SS*.  trans-70.811.4173.347.30000114.5
444N38.7Very low61.3Low123 Ų12378.5 Ų78.566%0.65843%0.431SS*.  trans-111.597.4177.7-79.9-14.3000110.8Q442 I446Q442-N444 PolarHBondContact O-N 3.02Å; Q442-N444 VanDerWaalsContact O-N 3.1Å; N444-I446 PolarHBondContact O-N 3.23Å
445K38.5Very low60.8Low216 Ų21678.2 Ų78.294%0.93943%0.429SS*.THydrogen-bonded Turntrans-61.819.7177.5-88.7-177.8171.1-178.40116.2
446I42.1Very low60.6Low129 Ų12978.6 Ų78.666%0.66243%0.432SS*.THydrogen-bonded Turntrans-114.16.7-170.3-50.6178.6000112.8N444N444-I446 PolarHBondContact O-N 3.23Å
447Q49.2Very low60.9Low104 Ų10474 Ų7449%0.48641%0.414SS..SBendtrans-102.3137.8179.2-82.8178.6-26.200113N449 Q485Q447-N449 PolarHBondContact O-N 3.11Å; Q447-N449 PolarHBondContact O-OD1 3.35Å; Q447-Q485 VanDerWaalsContact OE1-NE2 3.09Å
448C50.8Low61.6Low24 Ų2472 Ų7216%0.16240%0.4CS..  trans-50.7114-179.9-73.50000113.1N301 H302 F450N301-C448 PolarHBondContact O-SG 2.82Å; H302-C448 VanDerWaalsContact CA-SG 3.54Å; H302-C448 VanDerWaalsContact CD2-SG 3.53Å; H302-C448 PolarHBondContact CE1-SG 2.88Å; H302-C448 PolarHBondContact ND1-SG 2.98Å; C448-F450 PolarHBondContact O-N 3.39Å; C448-F450 VanDerWaalsContact O-N 3.09Å
449N55.1Low62.7Low134 Ų13468.3 Ų68.372%0.71738%0.38SS*.  trans-8356.7175.2-75-13.8000111.5Q447Q447-N449 PolarHBondContact O-N 3.11Å; Q447-N449 PolarHBondContact O-OD1 3.35Å
450F62.5Low64.1Low15 Ų1563.1 Ų63.17%0.06634%0.344CS..PPolyproline II helixtrans-79.2128.8170.6-130.6-99.7000109.4Y278 F305 H321 C448 C484Y278-F450 HydrophobicContact CE1-CE2 4.42Å; Y278-F450 HydrophobicContact CE2-CD2 4.23Å; Y278-F450 AromaticContact CE2-CE2 3.56Å; Y278-F450 HydrophobicContact CE2-CE2 3.56Å; Y278-F450 AromaticContact CZ-CE2 3.46Å; Y278-F450 VanDerWaalsContact CZ-CE2 3.46Å; Y278-F450 VanDerWaalsContact OH-CD2 3.27Å; Y278-F450 WeakPolarHBondContact OH-CD2 3.28Å; Y278-F450 WeakPolarHBondContact OH-CE2 3.48Å; F305-F450 HydrophobicContact CD1-CZ 4.09Å; F305-F450 HydrophobicContact CE1-CE2 4.28Å; F305-F450 AromaticContact CE1-CZ 3.81Å; F305-F450 HydrophobicContact CE1-CZ 3.81Å; F305-F450 HydrophobicContact CZ-CZ 4.38Å; H321-F450 AromaticContact CE1-CE1 3.52Å; H321-F450 AromaticContact NE2-CD1 3.84Å; H321-F450 AromaticContact NE2-CE1 3.35Å; H321-F450 VanDerWaalsContact NE2-CE1 3.35Å; H321-F450 WeakPolarHBondContact NE2-CE1 3.39Å; C448-F450 PolarHBondContact O-N 3.39Å; C448-F450 VanDerWaalsContact O-N 3.09Å; F450-C484 WeakPolarHBondContact CB-SG 3.31Å
451T71.8Confident65.4Low64 Ų6461.4 Ų61.439%0.39333%0.327SS..PPolyproline II helixtrans-59.2137.3174.353.70000110F453T451-F453 PolarHBondContact O-N 3.17Å
452P80.7Confident66.6Low4 Ų454.8 Ų54.83%0.02629%0.292CS..PPolyproline II helixtrans-61.2135.7178.826.8-34.7000110.2N412 F435 Y436 V482 D483N412-P452 WeakPolarHBondContact CA-O 3.43Å; N412-P452 WeakPolarHBondContact CB-O 3.45Å; F435-P452 HydrophobicContact CB-CG 4.06Å; F435-P452 WeakPolarHBondContact O-CG 3.39Å; Y436-P452 VanDerWaalsContact C-CG 3.49Å; P452-V482 CarbonylContact C-O 3.51Å; P452-V482 WeakPolarHBondContact CA-O 3.44Å; P452-D483 HydrophobicContact CB-CB 4.29Å
453F87.1Confident67.9Low10 Ų1050 Ų504%0.04427%0.268CS..EExtended strand (participates in β ladder)trans-95.9138.9179.4179.2-97.9000110.7T318 K319 Q320 H321 I409 G411 T451 S455 T481 V482T318-F453 HydrophobicContact CG2-CD2 4.33Å; T318-F453 HydrophobicContact CG2-CE2 3.7Å; K319-F453 VanDerWaalsContact C-CZ 3.5Å; K319-F453 WeakPolarHBondContact O-CZ 3.47Å; Q320-F453 VanDerWaalsContact C-CZ 3.5Å; H321-F453 HydrophobicContact CB-CB 3.98Å; H321-F453 HydrophobicContact CB-CD1 3.57Å; H321-F453 HydrophobicContact CB-CD2 3.51Å; H321-F453 HydrophobicContact CB-CE1 3.94Å; H321-F453 HydrophobicContact CB-CE2 3.91Å; H321-F453 HydrophobicContact CB-CG 3.36Å; H321-F453 HydrophobicContact CB-CZ 4.14Å; H321-F453 VanDerWaalsContact N-CE1 3.31Å; I409-F453 HydrophobicContact CG2-CZ 4.15Å; G411-F453 VanDerWaalsContact O-CD2 3.27Å; G411-F453 WeakPolarHBondContact O-CD2 3.2Å; G411-F453 WeakPolarHBondContact O-CE2 3.43Å; T451-F453 PolarHBondContact O-N 3.17Å; F453-S455 PolarHBondContact O-N 3.12Å; F453-T481 CarbonylContact O-C 3.57Å; F453-T481 WeakPolarHBondContact O-CA 3.36Å; F453-V482 PolarHBondContact N-O 3.31Å; F453-V482 PolarHBondContact O-N 3.1Å
454V90.3Very high69.3Low0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-80.9108.6176.2178.70000109.6I409 G411 V414 F435 V457 I479 T481I409-V454 HydrophobicContact CD1-CG1 4.11Å; I409-V454 HydrophobicContact CG1-CG1 3.92Å; I409-V454 HydrophobicContact CG2-CB 4.06Å; I409-V454 HydrophobicContact CG2-CG1 4.35Å; I409-V454 WeakPolarHBondContact CG2-O 3.34Å; G411-V454 PolarHBondContact O-N 3.05Å; V414-V454 HydrophobicContact CG2-CB 4.4Å; V414-V454 HydrophobicContact CG2-CG1 3.82Å; V414-V454 HydrophobicContact CG2-CG2 3.99Å; F435-V454 HydrophobicContact CD2-CG2 3.67Å; F435-V454 HydrophobicContact CE2-CG2 4.04Å; F435-V454 HydrophobicContact CG-CG2 4.41Å; V454-V457 HydrophobicContact CG1-CG2 3.73Å; V454-I479 HydrophobicContact CG1-CG2 3.75Å; V454-T481 HydrophobicContact CG2-CG2 4.12Å
455S85.4Confident69.9Low4 Ų440.4 Ų40.43%0.02822%0.217CC..EExtended strand (participates in β ladder)trans-79.5-39.9-177.955.60000113Q320 F453 Q480Q320-S455 PolarHBondContact NE2-O 3.21Å; Q320-S455 VanDerWaalsContact NE2-O 3.16Å; F453-S455 PolarHBondContact O-N 3.12Å; S455-Q480 PolarHBondContact N-O 3.49Å; S455-Q480 WeakPolarHBondContact OG-CB 3.49Å; S455-Q480 WeakPolarHBondContact OG-CG 3.49Å; S455-Q480 PolarHBondContact OG-O 3.24Å; S455-Q480 PolarHBondContact OG-OE1 3.07Å
456S87.5Confident70.4Confident8 Ų835.3 Ų35.36%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-152.3150.1-179.364.90000112.6I479 Q480 L571S456-I479 WeakPolarHBondContact O-CA 3.24Å; S456-Q480 PolarHBondContact O-N 2.85Å; S456-L571 WeakPolarHBondContact CB-O 3.04Å; S456-L571 PolarHBondContact OG-O 3.46Å
457V90.7Very high71Confident2 Ų234 Ų341%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-129.8139.8175177.40000107.6N385 A407 I409 V414 V454 I459 M477 L478 I479N385-V457 PolarHBondContact ND2-O 3.42Å; A407-V457 HydrophobicContact CB-CG1 3.94Å; I409-V457 HydrophobicContact CD1-CG2 4.03Å; I409-V457 HydrophobicContact CG1-CG2 3.72Å; V414-V457 HydrophobicContact CG1-CG2 4.27Å; V414-V457 HydrophobicContact CG2-CG2 3.68Å; V454-V457 HydrophobicContact CG1-CG2 3.73Å; V457-I459 HydrophobicContact CG1-CG1 4.47Å; V457-M477 HydrophobicContact CG1-CG 4.1Å; V457-M477 HydrophobicContact CG1-SD 3.92Å; V457-L478 CarbonylContact C-O 3.55Å; V457-L478 WeakPolarHBondContact CA-O 3.32Å; V457-I479 HydrophobicContact CG1-CG1 4.3Å; V457-I479 HydrophobicContact CG2-CG1 4.17Å; V457-I479 HydrophobicContact CG2-CG2 4.42Å
458S90Very high71Confident4 Ų430.7 Ų30.73%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-135.5134.3176.6-1780000110.7M477 L478 F574 W576S458-M477 CarbonylContact O-C 3.54Å; S458-M477 VanDerWaalsContact O-CA 3.29Å; S458-M477 WeakPolarHBondContact O-CA 3.35Å; S458-M477 WeakPolarHBondContact O-CG 3.44Å; S458-L478 PolarHBondContact N-O 2.8Å; S458-L478 PolarHBondContact O-N 2.72Å; S458-F574 VanDerWaalsContact CB-CG 3.42Å; S458-F574 WeakPolarHBondContact OG-CB 3.37Å; S458-F574 VanDerWaalsContact OG-CG 3.27Å; S458-F574 WeakPolarHBondContact OG-CG 3.29Å; S458-W576 PolarHBondContact OG-NE1 3.12Å
459I87.7Confident70.8Confident7 Ų738 Ų384%0.03621%0.211CC..  trans-132.5143.7176.8-58.4167.8000106.3L405 A407 V457 S461 M475 M477L405-I459 HydrophobicContact CD2-CD1 4.02Å; L405-I459 HydrophobicContact CD2-CG2 4.43Å; L405-I459 HydrophobicContact CG-CD1 4.13Å; A407-I459 HydrophobicContact CB-CD1 3.56Å; V457-I459 HydrophobicContact CG1-CG1 4.47Å; I459-S461 PolarHBondContact O-N 3.08Å; I459-M475 HydrophobicContact CG2-CG 4.07Å; I459-M475 HydrophobicContact CG2-SD 4Å; I459-M477 HydrophobicContact CD1-SD 4.26Å; I459-M477 HydrophobicContact CG1-CB 4.31Å; I459-M477 HydrophobicContact CG1-CG 3.9Å; I459-M477 HydrophobicContact CG1-SD 4.14Å
460P81.8Confident70.7Confident0 Ų033.6 Ų33.60%019%0.19CC..  trans-50.6116.7177.4-27.832.1000113.4S387 C388 I389 L464 M475 P476 W576S387-P460 WeakPolarHBondContact CA-O 3.48Å; C388-P460 PolarHBondContact N-O 2.81Å; I389-P460 HydrophobicContact CD1-CB 4Å; I389-P460 HydrophobicContact CG1-CB 3.97Å; P460-L464 HydrophobicContact CB-CD1 4.07Å; P460-L464 HydrophobicContact CB-CD2 4.49Å; P460-M475 HydrophobicContact CB-SD 4.37Å; P460-M475 HydrophobicContact CG-SD 4.04Å; P460-P476 WeakPolarHBondContact CD-O 3.37Å; P460-P476 HydrophobicContact CG-CG 3.4Å; P460-P476 VanDerWaalsContact CG-CG 3.4Å; P460-W576 VanDerWaalsContact CA-CD1 3.48Å; P460-W576 HydrophobicContact CB-CB 4.22Å; P460-W576 HydrophobicContact CB-CD2 4.32Å; P460-W576 HydrophobicContact CB-CG 4.02Å; P460-W576 HydrophobicContact CG-CD2 3.73Å; P460-W576 HydrophobicContact CG-CE3 4.03Å; P460-W576 HydrophobicContact CG-CG 3.97Å; P460-W576 HydrophobicContact CG-CZ2 4.45Å; P460-W576 HydrophobicContact CG-CZ3 4.5Å
461S69.1Low70.2Confident44 Ų4438 Ų3831%0.30822%0.222SC..  trans-93.9175.4167.7560000110.4I459I459-S461 PolarHBondContact O-N 3.08Å
462L66.1Low69.6Low19 Ų1938.1 Ų38.110%0.09922%0.221CC..SBendtrans-35.5144.2-170.8-82.891.5000117.3C388 L390 L708 G771C388-L462 HydrophobicContact CB-CD1 3.76Å; C388-L462 HydrophobicContact CB-CG 4.42Å; C388-L462 WeakPolarHBondContact O-CA 3.3Å; C388-L462 PolarHBondContact O-N 3.31Å; L390-L462 HydrophobicContact CD1-CD2 3.42Å; L390-L462 VanDerWaalsContact CD1-CD2 3.42Å; L390-L462 HydrophobicContact CD1-CG 3.87Å; L390-L462 HydrophobicContact CG-CD2 4.41Å; L390-L462 HydrophobicContact CG-CG 4.38Å; L462-L708 HydrophobicContact CD2-CD1 4.16Å; L462-G771 VanDerWaalsContact CD2-C 3.47Å; L462-G771 VanDerWaalsContact CD2-O 3.24Å; L462-G771 WeakPolarHBondContact CD2-O 3.18Å
463W65.2Low69.2Low15 Ų1541.5 Ų41.56%0.05724%0.239CC..  trans69.393.2175.3-40.5114.1000115.2L390 I647 C709 P711L390-W463 HydrophobicContact CB-CD2 4.45Å; L390-W463 HydrophobicContact CB-CE3 3.74Å; L390-W463 HydrophobicContact CB-CZ3 3.81Å; L390-W463 HydrophobicContact CD1-CD2 4.26Å; L390-W463 HydrophobicContact CD1-CE3 3.94Å; L390-W463 HydrophobicContact CD1-CH2 3.36Å; L390-W463 HydrophobicContact CD1-CZ2 3.7Å; L390-W463 HydrophobicContact CD1-CZ3 3.5Å; L390-W463 HydrophobicContact CG-CZ3 4.3Å; W463-I647 HydrophobicContact CD2-CB 4.18Å; W463-I647 HydrophobicContact CD2-CD1 4.36Å; W463-I647 HydrophobicContact CD2-CG1 4.27Å; W463-I647 HydrophobicContact CE3-CB 4.2Å; W463-I647 HydrophobicContact CE3-CD1 3.55Å; W463-I647 HydrophobicContact CE3-CG1 3.81Å; W463-I647 HydrophobicContact CG-CB 4.31Å; W463-I647 HydrophobicContact CZ3-CD1 3.68Å; W463-I647 HydrophobicContact CZ3-CG1 4.43Å; W463-C709 PolarHBondContact NE1-O 3.4Å; W463-P711 HydrophobicContact CH2-CG 3.31Å; W463-P711 HydrophobicContact CZ2-CG 3.73Å; W463-P711 HydrophobicContact CZ3-CG 3.91Å
464L64.7Low68.8Low6 Ų641.2 Ų41.23%0.03124%0.238CC..BIsolated β-bridgetrans-108.6133.9167.6-63.8-177.1000110.2I389 L390 P460 W576 L579I389-L464 HydrophobicContact CB-CD1 4.28Å; I389-L464 HydrophobicContact CD1-CD1 3.66Å; I389-L464 HydrophobicContact CG1-CD1 3.87Å; I389-L464 HydrophobicContact CG2-CB 4.09Å; I389-L464 HydrophobicContact CG2-CD1 3.46Å; I389-L464 VanDerWaalsContact CG2-CD1 3.46Å; I389-L464 HydrophobicContact CG2-CG 3.8Å; L390-L464 PolarHBondContact O-N 2.99Å; P460-L464 HydrophobicContact CB-CD1 4.07Å; P460-L464 HydrophobicContact CB-CD2 4.49Å; L464-W576 HydrophobicContact CD2-CB 3.99Å; L464-L579 HydrophobicContact CD1-CD2 3.37Å; L464-L579 HydrophobicContact CD1-CG 3.78Å
465G51.8Low68.5Low40 Ų4041.4 Ų41.441%0.41224%0.239SC..  trans-58.5170.6177.800000114.2E467G465-E467 PolarHBondContact O-N 3.15Å
466N50Low68.6Low108 Ų10841.2 Ų41.258%0.57824%0.237SC*.SBendtrans-60.323.4-165.6-90.1-24.3000118.6N392N392-N466 WeakPolarHBondContact CB-OD1 3.17Å
467E52.7Low68.8Low103 Ų10340.9 Ų40.948%0.48124%0.235SC..  trans-106.145.7-175.1-64.7-161.1-164.500114.2G465 H469 Y580 K598G465-E467 PolarHBondContact O-N 3.15Å; E467-H469 PolarHBondContact O-N 3.15Å; E467-Y580 PolarHBondContact OE1-OH 3.24Å; E467-Y580 PolarHBondContact OE2-OH 3.41Å; E467-K598 IonicContact OE1-NZ 3.06Å; E467-K598 IonicContact OE2-NZ 3.51Å; E467-K598 PolarHBondContact OE2-NZ 3.41Å; E467-K598 VanDerWaalsContact OE2-NZ 3.08Å
468C50Low68.9Low33 Ų3340.9 Ų40.922%0.22324%0.235CC..THydrogen-bonded Turntrans-8836.8169.9-74.50000113.7T391 C393T391-C468 WeakPolarHBondContact CG2-SG 3.28Å; C393-C468 HydrophobicContact CB-CB 4.25Å
469H47.4Very low69Low179 Ų17940.7 Ų40.783%0.82923%0.233SC*.THydrogen-bonded Turntrans-90.21.8169.3-74.5-56.3000113.4E467 S471E467-H469 PolarHBondContact O-N 3.15Å; H469-S471 PolarHBondContact O-N 3.25Å
470S51.6Low69.1Low41 Ų4140.4 Ų40.429%0.28723%0.232SC..  trans-74.1119.1176.560.60000111.2N472S470-N472 PolarHBondContact O-N 3.42Å; S470-N472 VanDerWaalsContact O-N 3.11Å
471S52.6Low69.5Low106 Ų10640.5 Ų40.574%0.74123%0.232SC*.THydrogen-bonded Turntrans-62.4-8.7176.844.90000114.5H469H469-S471 PolarHBondContact O-N 3.25Å
472N59.5Low70.1Confident68 Ų6839.2 Ų39.236%0.36422%0.223SC..THydrogen-bonded Turntrans-90.8-8.3-160.2-75.1-16.6000116.2S470 V474S470-N472 PolarHBondContact O-N 3.42Å; S470-N472 VanDerWaalsContact O-N 3.11Å; N472-V474 VanDerWaalsContact C-N 3.26Å; N472-V474 HydrophobicContact CB-CG2 3.78Å; N472-V474 WeakPolarHBondContact O-CG2 3.34Å; N472-V474 PolarHBondContact O-N 3.44Å; N472-V474 VanDerWaalsContact O-N 3.17Å
473N71Confident70.6Confident75 Ų7539.9 Ų39.940%0.40123%0.227SC..  trans48.141.6176.3-73.1-23.8000114.6S400S400-N473 PolarHBondContact OG-ND2 3.07Å; S400-N473 PolarHBondContact OG-OD1 3.46Å
474V79.5Confident70.5Confident4 Ų440.6 Ų40.62%0.02423%0.233CC..  trans-114.4149.5-177.3-150.70000110.7N472 T498 I499 T500 K531 Y601N472-V474 VanDerWaalsContact C-N 3.26Å; N472-V474 HydrophobicContact CB-CG2 3.78Å; N472-V474 WeakPolarHBondContact O-CG2 3.34Å; N472-V474 PolarHBondContact O-N 3.44Å; N472-V474 VanDerWaalsContact O-N 3.17Å; V474-T498 VanDerWaalsContact CG1-C 3.45Å; V474-T498 VanDerWaalsContact CG1-CB 3.42Å; V474-I499 CarbonylContact C-O 3.43Å; V474-I499 WeakPolarHBondContact CA-O 3.08Å; V474-I499 VanDerWaalsContact CG1-N 3.32Å; V474-I499 WeakPolarHBondContact CG1-O 3.21Å; V474-T500 HydrophobicContact CB-CG2 4.43Å; V474-T500 HydrophobicContact CG1-CG2 3.85Å; V474-T500 HydrophobicContact CG2-CG2 4.02Å; V474-K531 HydrophobicContact CG2-CD 4.09Å; V474-Y601 PolarHBondContact O-OH 2.73Å; V474-Y601 VanDerWaalsContact O-OH 3.09Å
475M84Confident70.4Confident4 Ų444.8 Ų44.82%0.0225%0.253CS..EExtended strand (participates in β ladder)trans-111.1120.8176.8175.971.169.700109.7I389 I401 L405 I459 P460 T498 I499I389-M475 HydrophobicContact CD1-CE 3.34Å; I389-M475 HydrophobicContact CD1-SD 3.44Å; I389-M475 WeakPolarHBondContact CD1-SD 3.44Å; I389-M475 HydrophobicContact CG1-CE 4.02Å; I389-M475 HydrophobicContact CG1-SD 4.3Å; I401-M475 HydrophobicContact CG2-CE 3.95Å; I401-M475 WeakPolarHBondContact O-CE 3.38Å; L405-M475 HydrophobicContact CD2-CG 4.12Å; I459-M475 HydrophobicContact CG2-CG 4.07Å; I459-M475 HydrophobicContact CG2-SD 4Å; P460-M475 HydrophobicContact CB-SD 4.37Å; P460-M475 HydrophobicContact CG-SD 4.04Å; M475-T498 CarbonylContact O-C 3.46Å; M475-I499 HydrophobicContact CB-CB 4.31Å; M475-I499 PolarHBondContact N-O 2.79Å; M475-I499 WeakPolarHBondContact O-CB 3.41Å; M475-I499 PolarHBondContact O-N 2.9Å
476P87.9Confident71Confident0 Ų043.1 Ų43.10%024%0.235CC..EExtended strand (participates in β ladder)trans-75155.3177.336.6-41.2000111.4P460 F496 I497 W576 L579 Y601P460-P476 WeakPolarHBondContact CD-O 3.37Å; P460-P476 HydrophobicContact CG-CG 3.4Å; P460-P476 VanDerWaalsContact CG-CG 3.4Å; P476-F496 HydrophobicContact CB-CE2 3.67Å; P476-F496 HydrophobicContact CB-CZ 3.97Å; P476-I497 CarbonylContact C-O 3.53Å; P476-I497 WeakPolarHBondContact CA-O 3.49Å; P476-W576 HydrophobicContact CB-CH2 3.8Å; P476-W576 HydrophobicContact CB-CZ3 3.91Å; P476-W576 HydrophobicContact CG-CE3 4.35Å; P476-W576 HydrophobicContact CG-CH2 4.02Å; P476-W576 HydrophobicContact CG-CZ3 3.81Å; P476-L579 WeakPolarHBondContact CB-O 3.16Å; P476-L579 HydrophobicContact CG-CB 4.45Å; P476-L579 HydrophobicContact CG-CD2 4.12Å; P476-L579 WeakPolarHBondContact CG-O 3.19Å; P476-Y601 HydrophobicContact CB-CE2 4.49Å
477M90.8Very high71.2Confident0 Ų039.9 Ų39.90%022%0.221CC..EExtended strand (participates in β ladder)trans-148.8138.6176.2179.1171.95800108.9A407 M416 L433 V457 S458 I459 I479 I497 I499A407-M477 HydrophobicContact CB-SD 4.41Å; M416-M477 HydrophobicContact SD-CE 3.81Å; M416-M477 HydrophobicContact SD-SD 4.29Å; L433-M477 HydrophobicContact CD1-CE 3.57Å; V457-M477 HydrophobicContact CG1-CG 4.1Å; V457-M477 HydrophobicContact CG1-SD 3.92Å; S458-M477 CarbonylContact O-C 3.54Å; S458-M477 VanDerWaalsContact O-CA 3.29Å; S458-M477 WeakPolarHBondContact O-CA 3.35Å; S458-M477 WeakPolarHBondContact O-CG 3.44Å; I459-M477 HydrophobicContact CD1-SD 4.26Å; I459-M477 HydrophobicContact CG1-CB 4.31Å; I459-M477 HydrophobicContact CG1-CG 3.9Å; I459-M477 HydrophobicContact CG1-SD 4.14Å; M477-I479 HydrophobicContact CE-CD1 3.64Å; M477-I479 HydrophobicContact CE-CG1 4.36Å; M477-I479 HydrophobicContact CG-CD1 4.3Å; M477-I479 HydrophobicContact CG-CG1 4.02Å; M477-I479 HydrophobicContact SD-CD1 3.95Å; M477-I479 HydrophobicContact SD-CG1 4.26Å; M477-I497 HydrophobicContact CB-CB 4.38Å; M477-I497 HydrophobicContact CE-CB 4.04Å; M477-I497 HydrophobicContact CE-CD1 4.1Å; M477-I497 HydrophobicContact CE-CG2 4.01Å; M477-I497 PolarHBondContact N-O 3.48Å; M477-I497 PolarHBondContact O-N 3.41Å; M477-I499 HydrophobicContact CE-CD1 3.87Å; M477-I499 HydrophobicContact CE-CG1 4.08Å
478L92.7Very high71.5Confident2 Ų243.1 Ų43.11%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-112.7132.2174.4-160.580.2000109.1V457 S458 T494 Y495 F496 I536 F574 W576 L595 M597V457-L478 CarbonylContact C-O 3.55Å; V457-L478 WeakPolarHBondContact CA-O 3.32Å; S458-L478 PolarHBondContact N-O 2.8Å; S458-L478 PolarHBondContact O-N 2.72Å; L478-T494 HydrophobicContact CD1-CG2 3.83Å; L478-T494 HydrophobicContact CD2-CG2 4.1Å; L478-T494 HydrophobicContact CG-CG2 3.88Å; L478-Y495 CarbonylContact C-O 3.58Å; L478-Y495 WeakPolarHBondContact CA-O 3.38Å; L478-F496 HydrophobicContact CD1-CB 4.31Å; L478-F496 HydrophobicContact CD1-CD2 4.44Å; L478-I536 HydrophobicContact CD1-CD1 4.4Å; L478-F574 HydrophobicContact CD2-CD1 4.33Å; L478-F574 HydrophobicContact CD2-CE1 3.67Å; L478-F574 HydrophobicContact CD2-CZ 4.45Å; L478-W576 HydrophobicContact CB-CZ2 4.26Å; L478-L595 HydrophobicContact CD1-CD2 4.22Å; L478-L595 HydrophobicContact CD2-CD2 4.47Å; L478-M597 HydrophobicContact CD1-CE 4.43Å; L478-M597 HydrophobicContact CD1-SD 3.85Å
479I92.8Very high72.3Confident0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-129.6129.3179.8-60.3-178.6000109V414 L433 F435 V454 S456 V457 M477 T481 T494 Y495 I497V414-I479 HydrophobicContact CB-CD1 4.31Å; V414-I479 HydrophobicContact CG1-CD1 4.45Å; V414-I479 HydrophobicContact CG2-CD1 3.88Å; L433-I479 HydrophobicContact CD1-CD1 4.05Å; F435-I479 HydrophobicContact CE1-CG2 4.26Å; F435-I479 HydrophobicContact CE2-CD1 4.12Å; F435-I479 HydrophobicContact CE2-CG2 4.16Å; F435-I479 HydrophobicContact CZ-CB 4.26Å; F435-I479 HydrophobicContact CZ-CD1 3.63Å; F435-I479 HydrophobicContact CZ-CG2 3.79Å; V454-I479 HydrophobicContact CG1-CG2 3.75Å; S456-I479 WeakPolarHBondContact O-CA 3.24Å; V457-I479 HydrophobicContact CG1-CG1 4.3Å; V457-I479 HydrophobicContact CG2-CG1 4.17Å; V457-I479 HydrophobicContact CG2-CG2 4.42Å; M477-I479 HydrophobicContact CE-CD1 3.64Å; M477-I479 HydrophobicContact CE-CG1 4.36Å; M477-I479 HydrophobicContact CG-CD1 4.3Å; M477-I479 HydrophobicContact CG-CG1 4.02Å; M477-I479 HydrophobicContact SD-CD1 3.95Å; M477-I479 HydrophobicContact SD-CG1 4.26Å; I479-T481 HydrophobicContact CG2-CG2 4.12Å; I479-T494 CarbonylContact O-C 3.55Å; I479-T494 WeakPolarHBondContact O-CA 3.14Å; I479-Y495 PolarHBondContact N-O 3.35Å; I479-Y495 PolarHBondContact O-N 2.5Å; I479-I497 HydrophobicContact CD1-CD1 3.86Å
480Q90.8Very high73.3Confident2 Ų238.2 Ų38.21%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-105.4137.7170.1-169.2-173.827.700109.6S455 S456 P492S455-Q480 PolarHBondContact N-O 3.49Å; S455-Q480 WeakPolarHBondContact OG-CB 3.49Å; S455-Q480 WeakPolarHBondContact OG-CG 3.49Å; S455-Q480 PolarHBondContact OG-O 3.24Å; S455-Q480 PolarHBondContact OG-OE1 3.07Å; S456-Q480 PolarHBondContact O-N 2.85Å; Q480-P492 WeakPolarHBondContact CG-O 3.32Å
481T89.3Confident74.5Confident1 Ų136.7 Ų36.71%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-126.5155.6175.766.10000111.5F435 F453 V454 I479 N493 Y495F435-T481 HydrophobicContact CB-CG2 4.23Å; F435-T481 HydrophobicContact CD1-CG2 3.76Å; F435-T481 HydrophobicContact CD2-CG2 4.41Å; F435-T481 HydrophobicContact CE1-CG2 4.26Å; F435-T481 HydrophobicContact CG-CG2 3.87Å; F453-T481 CarbonylContact O-C 3.57Å; F453-T481 WeakPolarHBondContact O-CA 3.36Å; V454-T481 HydrophobicContact CG2-CG2 4.12Å; I479-T481 HydrophobicContact CG2-CG2 4.12Å; T481-N493 PolarHBondContact N-O 3.44Å; T481-N493 WeakPolarHBondContact OG1-CB 3.3Å; T481-N493 PolarHBondContact OG1-O 3.01Å; T481-Y495 HydrophobicContact CG2-CD2 4.27Å; T481-Y495 HydrophobicContact CG2-CE2 4.05Å
482V81.3Confident75.6Confident18 Ų1831.7 Ų31.711%0.10916%0.164CC..EExtended strand (participates in β ladder)trans-134.5133.4-177-169.80000109.1P452 F453 P492 F568P452-V482 CarbonylContact C-O 3.51Å; P452-V482 WeakPolarHBondContact CA-O 3.44Å; F453-V482 PolarHBondContact N-O 3.31Å; F453-V482 PolarHBondContact O-N 3.1Å; V482-P492 HydrophobicContact CG2-CG 4.3Å; V482-F568 HydrophobicContact CB-CE2 4.45Å; V482-F568 HydrophobicContact CG1-CD1 4.45Å; V482-F568 HydrophobicContact CG1-CD2 4.17Å; V482-F568 HydrophobicContact CG1-CE2 4.46Å; V482-F568 HydrophobicContact CG1-CG 4.16Å; V482-F568 HydrophobicContact CG2-CD1 4.18Å; V482-F568 HydrophobicContact CG2-CD2 3.72Å; V482-F568 HydrophobicContact CG2-CE1 3.7Å; V482-F568 HydrophobicContact CG2-CE2 3.18Å; V482-F568 HydrophobicContact CG2-CG 4.19Å; V482-F568 HydrophobicContact CG2-CZ 3.17Å
483D76.3Confident76.8Confident33 Ų3330.1 Ų30.118%0.17616%0.155CC..  trans-121.1175.2173.357.934.7000110.4P452 Q485 S486 N493P452-D483 HydrophobicContact CB-CB 4.29Å; D483-Q485 PolarHBondContact O-N 3.32Å; D483-Q485 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q485 PolarHBondContact OD1-N 2.94Å; D483-S486 PolarHBondContact N-OG 2.72Å; D483-S486 WeakPolarHBondContact O-CB 3.41Å; D483-S486 PolarHBondContact O-N 2.96Å; D483-S486 PolarHBondContact O-OG 3.16Å; D483-S486 VanDerWaalsContact O-OG 3.12Å; D483-S486 WeakPolarHBondContact OD1-CA 3.46Å; D483-S486 WeakPolarHBondContact OD1-CB 3.43Å; D483-S486 PolarHBondContact OD1-N 2.88Å; D483-S486 PolarHBondContact OD1-OG 3.46Å; D483-N493 PolarHBondContact OD2-ND2 3.5Å; D483-N493 VanDerWaalsContact OD2-ND2 3.15Å
484C63.9Low77.7Confident29 Ų2926.5 Ų26.520%0.19614%0.136CC..G310 helixtrans-67-20.1178.5-62.10000113.4F450 S486F450-C484 WeakPolarHBondContact CB-SG 3.31Å; C484-S486 VanDerWaalsContact C-N 3.34Å
485Q62.6Low78.3Confident95 Ų9526.5 Ų26.544%0.44414%0.136SC..G310 helixtrans-87-9.5178.8-58.8-164.4-0.800112.6Q447 D483 S487Q447-Q485 VanDerWaalsContact OE1-NE2 3.09Å; D483-Q485 PolarHBondContact O-N 3.32Å; D483-Q485 WeakPolarHBondContact OD1-CA 3.37Å; D483-Q485 PolarHBondContact OD1-N 2.94Å; Q485-S487 PolarHBondContact O-N 3.27Å
486S63.9Low78.7Confident5 Ų526.3 Ų26.34%0.03514%0.135CC..G310 helixtrans-64.3-11-178.5-660000113.7D483 C484 K488 N489 P492D483-S486 PolarHBondContact N-OG 2.72Å; D483-S486 WeakPolarHBondContact O-CB 3.41Å; D483-S486 PolarHBondContact O-N 2.96Å; D483-S486 PolarHBondContact O-OG 3.16Å; D483-S486 VanDerWaalsContact O-OG 3.12Å; D483-S486 WeakPolarHBondContact OD1-CA 3.46Å; D483-S486 WeakPolarHBondContact OD1-CB 3.43Å; D483-S486 PolarHBondContact OD1-N 2.88Å; D483-S486 PolarHBondContact OD1-OG 3.46Å; C484-S486 VanDerWaalsContact C-N 3.34Å; S486-K488 PolarHBondContact O-N 2.92Å; S486-N489 PolarHBondContact O-N 3.42Å; S486-P492 WeakPolarHBondContact OG-CB 3.4Å
487S55.4Low78.9Confident40 Ų4026.3 Ų26.328%0.2814%0.135SC..G310 helixtrans-60.7-4177.9610000114.2Q485 L567Q485-S487 PolarHBondContact O-N 3.27Å; S487-L567 WeakPolarHBondContact O-CB 3.11Å; S487-L567 WeakPolarHBondContact O-CD1 3.26Å; S487-L567 VanDerWaalsContact O-CD2 3.31Å; S487-L567 WeakPolarHBondContact O-CD2 3.38Å; S487-L567 WeakPolarHBondContact O-CG 3.36Å
488K58.8Low78.9Confident171 Ų17126.6 Ų26.674%0.74314%0.136SC*.G310 helixtrans-95.8-16.5172.8-65.1-177.5-178.2177.20113.7S486S486-K488 PolarHBondContact O-N 2.92Å
489N65.4Low78.7Confident71 Ų7126.6 Ų26.638%0.3814%0.136SC..  trans-117.4134.6-167.3-77.114.5000109.5S486 P492 D539 L567S486-N489 PolarHBondContact O-N 3.42Å; N489-P492 HydrophobicContact CB-CB 4.24Å; N489-D539 WeakPolarHBondContact CA-OD2 3.41Å; N489-D539 WeakPolarHBondContact CB-OD2 3.41Å; N489-D539 VanDerWaalsContact CG-OD2 3.32Å; N489-L567 VanDerWaalsContact O-O 3.08Å
490I69.2Low78.4Confident38 Ų3828.1 Ų28.120%0.19515%0.146CC..SBendtrans-74.4-41.8-177.1-56174.9000109.2P492 D539 L557 L560 S569I490-P492 WeakPolarHBondContact O-CD 3.42Å; I490-D539 WeakPolarHBondContact CB-OD1 3.4Å; I490-D539 PolarHBondContact N-OD1 2.97Å; I490-D539 PolarHBondContact N-OD2 2.57Å; I490-L557 HydrophobicContact CD1-CG 4.33Å; I490-L560 HydrophobicContact CD1-CD1 4.2Å; I490-L560 HydrophobicContact CG2-CD1 4.2Å; I490-S569 PolarHBondContact O-N 3.1Å; I490-S569 VanDerWaalsContact O-N 3.12Å
491F76.7Confident77.8Confident9 Ų930.1 Ų30.14%0.03916%0.156CC..SBendtrans-124.273.4179.1-54.2-71.9000110.9M538 D539 L571 W615F491-M538 HydrophobicContact CB-CB 3.66Å; F491-M538 HydrophobicContact CB-CG 4.48Å; F491-D539 PolarHBondContact N-OD1 3.06Å; F491-L571 HydrophobicContact CD1-CD2 3.37Å; F491-L571 HydrophobicContact CD1-CG 4.11Å; F491-L571 HydrophobicContact CE1-CD2 3.56Å; F491-L571 HydrophobicContact CG-CD2 4.31Å; F491-W615 HydrophobicContact CE1-CH2 4.34Å; F491-W615 AromaticContact CE2-CH2 3.87Å; F491-W615 HydrophobicContact CE2-CH2 3.87Å; F491-W615 AromaticContact CE2-CZ2 3.53Å; F491-W615 HydrophobicContact CE2-CZ2 3.53Å; F491-W615 AromaticContact CZ-CH2 3.54Å; F491-W615 HydrophobicContact CZ-CH2 3.54Å; F491-W615 AromaticContact CZ-CZ2 3.68Å; F491-W615 HydrophobicContact CZ-CZ2 3.68Å
492P75.8Confident77.2Confident1 Ų131.1 Ų31.11%0.00617%0.167CC..  trans-65.3151-17830.7-38.9000112.6Q480 V482 S486 N489 I490 T494 F568Q480-P492 WeakPolarHBondContact CG-O 3.32Å; V482-P492 HydrophobicContact CG2-CG 4.3Å; S486-P492 WeakPolarHBondContact OG-CB 3.4Å; N489-P492 HydrophobicContact CB-CB 4.24Å; I490-P492 WeakPolarHBondContact O-CD 3.42Å; P492-T494 PolarHBondContact O-N 3.24Å; P492-F568 HydrophobicContact CG-CD2 3.55Å; P492-F568 HydrophobicContact CG-CE2 3.79Å
493N84.1Confident76.9Confident34 Ų3431.3 Ų31.318%0.18217%0.168CC..  trans35.773.6163.7-59.1-42.8000115.6T481 D483 Y495 K535T481-N493 PolarHBondContact N-O 3.44Å; T481-N493 WeakPolarHBondContact OG1-CB 3.3Å; T481-N493 PolarHBondContact OG1-O 3.01Å; D483-N493 PolarHBondContact OD2-ND2 3.5Å; D483-N493 VanDerWaalsContact OD2-ND2 3.15Å; N493-Y495 HydrophobicContact CB-CE2 4.11Å; N493-K535 WeakPolarHBondContact OD1-CE 3.42Å; N493-K535 PolarHBondContact OD1-NZ 2.94Å
494T90Very high76.9Confident0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-98.4132.6173.7-57.50000110.4L478 I479 P492 I536 M538L478-T494 HydrophobicContact CD1-CG2 3.83Å; L478-T494 HydrophobicContact CD2-CG2 4.1Å; L478-T494 HydrophobicContact CG-CG2 3.88Å; I479-T494 CarbonylContact O-C 3.55Å; I479-T494 WeakPolarHBondContact O-CA 3.14Å; P492-T494 PolarHBondContact O-N 3.24Å; T494-I536 PolarHBondContact O-N 2.88Å; T494-M538 HydrophobicContact CG2-CG 4.09Å; T494-M538 HydrophobicContact CG2-SD 4.48Å; T494-M538 WeakPolarHBondContact OG1-CG 3.48Å
495Y92.8Very high77.6Confident4 Ų441.6 Ų41.62%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-118.3132.3-179.3-60.3-88000110.4F435 L478 I479 T481 N493 E514 V515 V533 D534 K535F435-Y495 HydrophobicContact CD1-CD2 4.04Å; F435-Y495 AromaticContact CD1-CE2 3.87Å; F435-Y495 HydrophobicContact CD1-CE2 3.87Å; F435-Y495 AromaticContact CE1-CD2 3.72Å; F435-Y495 HydrophobicContact CE1-CD2 3.72Å; F435-Y495 HydrophobicContact CE1-CE2 4.03Å; F435-Y495 HydrophobicContact CE1-CG 4.08Å; L478-Y495 CarbonylContact C-O 3.58Å; L478-Y495 WeakPolarHBondContact CA-O 3.38Å; I479-Y495 PolarHBondContact N-O 3.35Å; I479-Y495 PolarHBondContact O-N 2.5Å; T481-Y495 HydrophobicContact CG2-CD2 4.27Å; T481-Y495 HydrophobicContact CG2-CE2 4.05Å; N493-Y495 HydrophobicContact CB-CE2 4.11Å; Y495-E514 PolarHBondContact OH-OE2 3.17Å; Y495-V515 HydrophobicContact CD1-CG2 4.01Å; Y495-V515 HydrophobicContact CE1-CG2 3.83Å; Y495-V533 HydrophobicContact CD1-CG1 4.26Å; Y495-D534 CarbonylContact C-O 3.56Å; Y495-D534 WeakPolarHBondContact CA-O 3.11Å; Y495-K535 HydrophobicContact CD1-CB 4.1Å; Y495-K535 HydrophobicContact CD1-CG 4.24Å; Y495-K535 HydrophobicContact CE1-CB 4.02Å; Y495-K535 HydrophobicContact CE1-CD 4Å; Y495-K535 HydrophobicContact CE1-CG 3.9Å
496F92.6Very high78.7Confident0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-100.6124.8167.5177-107.8000109.2P476 L478 T498 V533 D534 I536 W576 M597 L600 Y601P476-F496 HydrophobicContact CB-CE2 3.67Å; P476-F496 HydrophobicContact CB-CZ 3.97Å; L478-F496 HydrophobicContact CD1-CB 4.31Å; L478-F496 HydrophobicContact CD1-CD2 4.44Å; F496-T498 HydrophobicContact CD1-CG2 4.38Å; F496-T498 HydrophobicContact CE1-CG2 3.63Å; F496-T498 HydrophobicContact CZ-CG2 3.98Å; F496-V533 WeakPolarHBondContact O-CA 3.4Å; F496-D534 PolarHBondContact N-O 3.32Å; F496-D534 PolarHBondContact O-N 2.88Å; F496-I536 HydrophobicContact CB-CD1 3.7Å; F496-I536 HydrophobicContact CB-CG1 4.38Å; F496-W576 HydrophobicContact CE2-CH2 4.19Å; F496-W576 HydrophobicContact CE2-CZ3 4.47Å; F496-M597 HydrophobicContact CB-SD 4Å; F496-M597 HydrophobicContact CD2-CB 4.42Å; F496-M597 HydrophobicContact CD2-CE 3.76Å; F496-M597 HydrophobicContact CD2-CG 4.44Å; F496-M597 HydrophobicContact CD2-SD 3.26Å; F496-M597 WeakPolarHBondContact CD2-SD 3.11Å; F496-M597 HydrophobicContact CE2-CB 4.25Å; F496-M597 HydrophobicContact CE2-CE 3.77Å; F496-M597 HydrophobicContact CE2-SD 3.79Å; F496-M597 HydrophobicContact CG-SD 3.76Å; F496-M597 HydrophobicContact CZ-CB 4.3Å; F496-L600 HydrophobicContact CB-CD1 4.47Å; F496-L600 HydrophobicContact CD1-CB 3.92Å; F496-L600 HydrophobicContact CD1-CD1 4.13Å; F496-L600 HydrophobicContact CE1-CB 3.95Å; F496-Y601 AromaticContact CZ-CD2 3.98Å; F496-Y601 HydrophobicContact CZ-CD2 3.98Å
497I92.4Very high79.9Confident0 Ų050.6 Ų50.60%025%0.251CS..EExtended strand (participates in β ladder)trans-126.3134-173.9-55.3-169000108.9L433 F435 P476 M477 I479 I499 P530 T532 V533L433-I497 HydrophobicContact CD1-CD1 3.71Å; F435-I497 HydrophobicContact CZ-CD1 4.38Å; P476-I497 CarbonylContact C-O 3.53Å; P476-I497 WeakPolarHBondContact CA-O 3.49Å; M477-I497 HydrophobicContact CB-CB 4.38Å; M477-I497 HydrophobicContact CE-CB 4.04Å; M477-I497 HydrophobicContact CE-CD1 4.1Å; M477-I497 HydrophobicContact CE-CG2 4.01Å; M477-I497 PolarHBondContact N-O 3.48Å; M477-I497 PolarHBondContact O-N 3.41Å; I479-I497 HydrophobicContact CD1-CD1 3.86Å; I497-I499 HydrophobicContact CG2-CD1 3.64Å; I497-I499 HydrophobicContact CG2-CG1 4.26Å; I497-P530 HydrophobicContact CG2-CB 3.84Å; I497-T532 WeakPolarHBondContact CA-O 3.49Å; I497-V533 HydrophobicContact CD1-CG1 4.18Å; I497-V533 HydrophobicContact CD1-CG2 4.2Å; I497-V533 HydrophobicContact CG1-CB 4.41Å; I497-V533 HydrophobicContact CG1-CG1 4.04Å; I497-V533 HydrophobicContact CG1-CG2 4.1Å; I497-V533 HydrophobicContact CG2-CG2 4.08Å
498T89.8Confident81.6Confident5 Ų551.9 Ų51.93%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-106.3123.6171.671.10000109.5V474 M475 F496 P530 K531 T532 Y601V474-T498 VanDerWaalsContact CG1-C 3.45Å; V474-T498 VanDerWaalsContact CG1-CB 3.42Å; M475-T498 CarbonylContact O-C 3.46Å; F496-T498 HydrophobicContact CD1-CG2 4.38Å; F496-T498 HydrophobicContact CE1-CG2 3.63Å; F496-T498 HydrophobicContact CZ-CG2 3.98Å; T498-P530 CarbonylContact O-C 3.58Å; T498-P530 WeakPolarHBondContact O-CA 3.33Å; T498-K531 PolarHBondContact O-N 3.04Å; T498-T532 WeakPolarHBondContact CG2-OG1 3.34Å; T498-T532 PolarHBondContact N-O 3.39Å; T498-T532 PolarHBondContact OG1-N 3.36Å; T498-T532 PolarHBondContact OG1-OG1 3.48Å; T498-Y601 HydrophobicContact CG2-CD2 3.9Å; T498-Y601 HydrophobicContact CG2-CE2 4.3Å
499I88.5Confident83.1Confident2 Ų247 Ų471%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-104.7124.3-174.6-58.7-64.2000111.5L405 M416 V474 M475 M477 I497 P528 W529 P530L405-I499 HydrophobicContact CD2-CB 4.47Å; L405-I499 HydrophobicContact CD2-CG1 4.39Å; L405-I499 HydrophobicContact CD2-CG2 4.22Å; M416-I499 HydrophobicContact CE-CD1 4.02Å; M416-I499 HydrophobicContact SD-CD1 3.89Å; M416-I499 HydrophobicContact SD-CG1 4.48Å; V474-I499 CarbonylContact C-O 3.43Å; V474-I499 WeakPolarHBondContact CA-O 3.08Å; V474-I499 VanDerWaalsContact CG1-N 3.32Å; V474-I499 WeakPolarHBondContact CG1-O 3.21Å; M475-I499 HydrophobicContact CB-CB 4.31Å; M475-I499 PolarHBondContact N-O 2.79Å; M475-I499 WeakPolarHBondContact O-CB 3.41Å; M475-I499 PolarHBondContact O-N 2.9Å; M477-I499 HydrophobicContact CE-CD1 3.87Å; M477-I499 HydrophobicContact CE-CG1 4.08Å; I497-I499 HydrophobicContact CG2-CD1 3.64Å; I497-I499 HydrophobicContact CG2-CG1 4.26Å; I499-P528 HydrophobicContact CG2-CB 3.67Å; I499-W529 CarbonylContact C-O 3.57Å; I499-W529 VanDerWaalsContact CA-O 3.3Å; I499-W529 WeakPolarHBondContact CA-O 3.36Å; I499-P530 HydrophobicContact CD1-CB 4.23Å
500T86.9Confident84.3Confident33 Ų3344.8 Ų44.820%0.20223%0.227CC..EExtended strand (participates in β ladder)trans-99.3162.8169.3510000111.4V474 P528 W529 K531V474-T500 HydrophobicContact CB-CG2 4.43Å; V474-T500 HydrophobicContact CG1-CG2 3.85Å; V474-T500 HydrophobicContact CG2-CG2 4.02Å; T500-P528 CarbonylContact O-C 3.53Å; T500-P528 WeakPolarHBondContact O-CA 3.38Å; T500-W529 PolarHBondContact N-O 3.07Å; T500-W529 PolarHBondContact O-N 3.45Å; T500-W529 PolarHBondContact OG1-O 3.35Å; T500-K531 HydrophobicContact CG2-CB 3.95Å; T500-K531 HydrophobicContact CG2-CD 3.88Å; T500-K531 HydrophobicContact CG2-CG 4.34Å
501N78.3Confident85.1Confident44 Ų4444.5 Ų44.524%0.23523%0.228CC..EExtended strand (participates in β ladder)trans-98.1112.8173.6-69.7-48.5000110.2S400 S403 C418 Y421S400-N501 PolarHBondContact O-ND2 2.65Å; S403-N501 WeakPolarHBondContact CB-ND2 3.5Å; S403-N501 WeakPolarHBondContact CB-OD1 3.42Å; S403-N501 PolarHBondContact OG-OD1 2.97Å; C418-N501 PolarHBondContact SG-OD1 3.24Å; Y421-N501 HydrophobicContact CE2-CB 4.01Å
502G76.8Confident85.5Confident22 Ų2251.6 Ų51.623%0.22727%0.267CS..  trans105143.8178.300000113.5S527G502-S527 WeakPolarHBondContact CA-O 3.31Å; G502-S527 PolarHBondContact N-O 3.21Å
503T74.4Confident85.8Confident21 Ų2152.4 Ų52.413%0.12928%0.275CS..  trans-158.3157.5176.3-172.10000110.1L505 S527 W529T503-L505 PolarHBondContact OG1-N 3.44Å; T503-S527 WeakPolarHBondContact CG2-OG 3.42Å; T503-W529 HydrophobicContact CG2-CB 4.19Å; T503-W529 HydrophobicContact CG2-CD2 3.68Å; T503-W529 HydrophobicContact CG2-CE3 3.55Å; T503-W529 HydrophobicContact CG2-CG 3.99Å; T503-W529 HydrophobicContact CG2-CZ3 4.14Å
504F76.6Confident86Confident195 Ų19551.5 Ų51.586%0.85527%0.27SS*.SBendtrans-1110.8166.6-61.6-78.1000112
505L79.7Confident86Confident84 Ų8451.5 Ų51.544%0.4427%0.27SS..  trans-89.4134.6-177.6-61172.7000110T503 E508 W529T503-L505 PolarHBondContact OG1-N 3.44Å; L505-E508 WeakPolarHBondContact CD1-OE2 3.36Å; L505-W529 HydrophobicContact CB-CH2 4.27Å; L505-W529 HydrophobicContact CB-CZ2 3.61Å; L505-W529 HydrophobicContact CD1-CZ2 4.44Å; L505-W529 WeakPolarHBondContact O-CH2 3.26Å
506E83.6Confident86Confident150 Ų15055.7 Ų55.770%0.70129%0.286SS*.SBendtrans-82.6-37.9173.9-68.4-175.8173.100111.9E518 W519E506-E518 WeakPolarHBondContact O-CA 3.5Å; E506-W519 PolarHBondContact O-N 3.4Å
507K90.1Very high86Confident138 Ų13855.7 Ų55.760%0.629%0.286SS*.EExtended strand (participates in β ladder)trans-145.4148.3176.7-60.6-166.3-176.4-156.20111.9S517 E518K507-S517 WeakPolarHBondContact CA-O 3.29Å; K507-E518 HydrophobicContact CD-CG 4.21Å; K507-E518 WeakPolarHBondContact CE-OE1 3.21Å; K507-E518 HydrophobicContact CG-CG 4.2Å; K507-E518 IonicContact NZ-OE1 3.76Å; K507-E518 PolarHBondContact NZ-OE1 3.12Å
508E91.8Very high86Confident68 Ų6857.3 Ų57.332%0.31829%0.294SS..EExtended strand (participates in β ladder)trans-148.2151.7174.4-170.9171.7-166.200110.4L505 F510 Y516 S517 W529L505-E508 WeakPolarHBondContact CD1-OE2 3.36Å; E508-F510 HydrophobicContact CB-CE2 3.99Å; E508-F510 HydrophobicContact CB-CZ 4.14Å; E508-F510 HydrophobicContact CG-CE1 4.21Å; E508-F510 HydrophobicContact CG-CE2 3.81Å; E508-F510 HydrophobicContact CG-CZ 3.6Å; E508-F510 WeakPolarHBondContact OE2-CZ 3.49Å; E508-Y516 CarbonylContact O-C 3.39Å; E508-Y516 VanDerWaalsContact O-CA 3.3Å; E508-Y516 WeakPolarHBondContact O-CA 3.39Å; E508-S517 WeakPolarHBondContact CB-OG 3.46Å; E508-S517 PolarHBondContact N-O 2.84Å; E508-S517 VanDerWaalsContact N-O 3.15Å; E508-S517 PolarHBondContact N-OG 3.32Å; E508-S517 PolarHBondContact O-N 3.4Å; E508-S517 PolarHBondContact O-OG 3.4Å; E508-W529 HydrophobicContact CB-CZ2 3.83Å; E508-W529 PolarHBondContact OE2-NE1 3.24Å
509S90.6Very high85.9Confident69 Ų6961.3 Ų61.348%0.48331%0.308SS..EExtended strand (participates in β ladder)trans-121.1137-179.166.30000111.1V515S509-V515 CarbonylContact C-O 3.53Å; S509-V515 WeakPolarHBondContact CA-O 3.32Å
510F90.6Very high85.8Confident23 Ų2364.5 Ų64.510%0.10132%0.323CS..EExtended strand (participates in β ladder)trans-127.5168-179.5-52.6-93.8000111.4E508 N512 G513 E514 V515 P530 V533E508-F510 HydrophobicContact CB-CE2 3.99Å; E508-F510 HydrophobicContact CB-CZ 4.14Å; E508-F510 HydrophobicContact CG-CE1 4.21Å; E508-F510 HydrophobicContact CG-CE2 3.81Å; E508-F510 HydrophobicContact CG-CZ 3.6Å; E508-F510 WeakPolarHBondContact OE2-CZ 3.49Å; F510-N512 VanDerWaalsContact C-N 3.31Å; F510-N512 PolarHBondContact O-N 3.08Å; F510-G513 PolarHBondContact O-N 3.42Å; F510-E514 PolarHBondContact O-N 3.43Å; F510-V515 HydrophobicContact CB-CB 4.36Å; F510-V515 PolarHBondContact N-O 3.31Å; F510-V515 PolarHBondContact O-N 3.45Å; F510-P530 HydrophobicContact CE2-CB 4.08Å; F510-P530 HydrophobicContact CE2-CG 3.55Å; F510-P530 HydrophobicContact CZ-CB 3.99Å; F510-P530 HydrophobicContact CZ-CG 3.74Å; F510-V533 HydrophobicContact CB-CB 3.62Å; F510-V533 HydrophobicContact CB-CG1 4.08Å; F510-V533 HydrophobicContact CB-CG2 3.84Å; F510-V533 HydrophobicContact CD1-CB 4.03Å; F510-V533 HydrophobicContact CD1-CG2 3.75Å; F510-V533 HydrophobicContact CD2-CG2 3.82Å; F510-V533 HydrophobicContact CE1-CG2 4.23Å; F510-V533 HydrophobicContact CE2-CG2 4.31Å; F510-V533 HydrophobicContact CG-CB 3.83Å; F510-V533 HydrophobicContact CG-CG2 3.52Å; F510-V533 HydrophobicContact CZ-CG2 4.49Å
511C85.4Confident85.4Confident33 Ų3365.5 Ų65.522%0.22333%0.327CS..G310 helixtrans46.449.8179.2-610000113.3G513 E514 V533C511-G513 VanDerWaalsContact C-N 3.25Å; C511-G513 PolarHBondContact O-N 3.4Å; C511-E514 HydrophobicContact CB-CB 4.1Å; C511-E514 WeakPolarHBondContact O-CB 3.35Å; C511-E514 WeakPolarHBondContact O-CG 3.34Å; C511-E514 PolarHBondContact O-N 2.9Å; C511-V533 PolarHBondContact SG-O 3.29Å
512N84.6Confident84.7Confident158 Ų15864.7 Ų64.785%0.84533%0.33SS*.G310 helixtrans56.433.2-178.2-59.6-24.5000114.7F510F510-N512 VanDerWaalsContact C-N 3.31Å; F510-N512 PolarHBondContact O-N 3.08Å
513G82.8Confident83.9Confident18 Ų1865.1 Ų65.119%0.18633%0.334CS..G310 helixtrans87.311.4178.400000114.3F510 C511 V515 Y516F510-G513 PolarHBondContact O-N 3.42Å; C511-G513 VanDerWaalsContact C-N 3.25Å; C511-G513 PolarHBondContact O-N 3.4Å; G513-V515 VanDerWaalsContact C-N 3.33Å; G513-Y516 WeakPolarHBondContact O-CE2 3.42Å
514E86.9Confident83.2Confident15 Ų1573.7 Ų73.77%0.0737%0.369CS..THydrogen-bonded Turntrans-72.8-28169.5-69.3-174.1-177.700112.2F435 Y436 N438 Y495 F510 C511 K535F435-E514 CarbonylContact C-O 3.48Å; F435-E514 WeakPolarHBondContact CA-O 3.37Å; Y436-E514 PolarHBondContact N-O 3.05Å; N438-E514 HydrophobicContact CB-CG 3.94Å; N438-E514 WeakPolarHBondContact CB-OE1 3.32Å; N438-E514 PolarHBondContact ND2-OE1 3.43Å; Y495-E514 PolarHBondContact OH-OE2 3.17Å; F510-E514 PolarHBondContact O-N 3.43Å; C511-E514 HydrophobicContact CB-CB 4.1Å; C511-E514 WeakPolarHBondContact O-CB 3.35Å; C511-E514 WeakPolarHBondContact O-CG 3.34Å; C511-E514 PolarHBondContact O-N 2.9Å; E514-K535 VanDerWaalsContact CD-NZ 3.34Å; E514-K535 IonicContact OE1-NZ 3.86Å; E514-K535 PolarHBondContact OE1-NZ 3.16Å; E514-K535 VanDerWaalsContact OE1-NZ 3.12Å; E514-K535 WeakPolarHBondContact OE2-CD 3.36Å; E514-K535 WeakPolarHBondContact OE2-CE 3.3Å; E514-K535 IonicContact OE2-NZ 2.72Å; E514-K535 PolarHBondContact OE2-NZ 3Å
515V91.2Very high82.6Confident0 Ų069.2 Ų69.20%035%0.354CS..EExtended strand (participates in β ladder)trans-128.7128.4-178.1-1750000110V434 F435 Y495 S509 F510 G513 V533V434-V515 CarbonylContact O-C 3.59Å; V434-V515 WeakPolarHBondContact O-CA 3.35Å; F435-V515 HydrophobicContact CD1-CG1 4.45Å; F435-V515 HydrophobicContact CD1-CG2 3.66Å; F435-V515 HydrophobicContact CE1-CB 4.47Å; F435-V515 HydrophobicContact CE1-CG1 4.05Å; F435-V515 HydrophobicContact CE1-CG2 3.6Å; F435-V515 HydrophobicContact CZ-CG1 4.3Å; Y495-V515 HydrophobicContact CD1-CG2 4.01Å; Y495-V515 HydrophobicContact CE1-CG2 3.83Å; S509-V515 CarbonylContact C-O 3.53Å; S509-V515 WeakPolarHBondContact CA-O 3.32Å; F510-V515 HydrophobicContact CB-CB 4.36Å; F510-V515 PolarHBondContact N-O 3.31Å; F510-V515 PolarHBondContact O-N 3.45Å; G513-V515 VanDerWaalsContact C-N 3.33Å; V515-V533 HydrophobicContact CB-CG1 4.29Å; V515-V533 HydrophobicContact CG1-CG1 4.41Å; V515-V533 HydrophobicContact CG2-CG1 4.08Å
516Y93.1Very high82.4Confident92 Ų9267 Ų6736%0.36135%0.345SS..EExtended strand (participates in β ladder)trans-117.3140.5171.5-68.9-99.9000110.4L433 V434 Y436 E508 G513L433-Y516 CarbonylContact C-O 3.47Å; L433-Y516 VanDerWaalsContact CA-O 3.31Å; L433-Y516 WeakPolarHBondContact CA-O 3.49Å; V434-Y516 PolarHBondContact N-O 2.98Å; V434-Y516 PolarHBondContact O-N 3.3Å; Y436-Y516 AromaticContact CD2-CD2 3.42Å; Y436-Y516 HydrophobicContact CD2-CD2 3.42Å; Y436-Y516 VanDerWaalsContact CD2-CD2 3.42Å; Y436-Y516 AromaticContact CD2-CE2 3.64Å; Y436-Y516 HydrophobicContact CD2-CE2 3.64Å; Y436-Y516 AromaticContact CE2-CD2 3.35Å; Y436-Y516 HydrophobicContact CE2-CD2 3.35Å; Y436-Y516 AromaticContact CE2-CE2 3.77Å; Y436-Y516 HydrophobicContact CE2-CE2 3.77Å; Y436-Y516 HydrophobicContact CE2-CG 4.21Å; E508-Y516 CarbonylContact O-C 3.39Å; E508-Y516 VanDerWaalsContact O-CA 3.3Å; E508-Y516 WeakPolarHBondContact O-CA 3.39Å; G513-Y516 WeakPolarHBondContact O-CE2 3.42Å
517S92.1Very high82.4Confident0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-103.7143.5166.360.50000110.6R432 K507 E508 W529R432-S517 CarbonylContact O-C 3.54Å; R432-S517 WeakPolarHBondContact O-CA 3.36Å; K507-S517 WeakPolarHBondContact CA-O 3.29Å; E508-S517 WeakPolarHBondContact CB-OG 3.46Å; E508-S517 PolarHBondContact N-O 2.84Å; E508-S517 VanDerWaalsContact N-O 3.15Å; E508-S517 PolarHBondContact N-OG 3.32Å; E508-S517 PolarHBondContact O-N 3.4Å; E508-S517 PolarHBondContact O-OG 3.4Å; S517-W529 WeakPolarHBondContact OG-CH2 3.36Å; S517-W529 WeakPolarHBondContact OG-CZ2 3.33Å
518E92.4Very high82.3Confident33 Ų3353.4 Ų53.415%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-133.5131.2175.6-56.2-170.8144.900110.1T431 R432 E506 K507 H520T431-E518 CarbonylContact C-O 3.03Å; T431-E518 WeakPolarHBondContact CA-O 3.24Å; T431-E518 WeakPolarHBondContact CG2-O 3.44Å; R432-E518 PolarHBondContact N-O 3.29Å; R432-E518 PolarHBondContact O-N 2.65Å; E506-E518 WeakPolarHBondContact O-CA 3.5Å; K507-E518 HydrophobicContact CD-CG 4.21Å; K507-E518 WeakPolarHBondContact CE-OE1 3.21Å; K507-E518 HydrophobicContact CG-CG 4.2Å; K507-E518 IonicContact NZ-OE1 3.76Å; K507-E518 PolarHBondContact NZ-OE1 3.12Å; E518-H520 IonicContact OE2-CE1 2.7Å; E518-H520 IonicContact OE2-NE2 3.43Å; E518-H520 PolarHBondContact OE2-NE2 2.91Å; E518-H520 VanDerWaalsContact OE2-NE2 3.11Å
519W88.6Confident82.2Confident89 Ų8950.5 Ų50.534%0.33727%0.269SS..EExtended strand (participates in β ladder)trans-87.1133.6171.2-175.783000110.1E506 N521 S527 W529E506-W519 PolarHBondContact O-N 3.4Å; W519-N521 PolarHBondContact NE1-O 2.93Å; W519-S527 PolarHBondContact NE1-OG 3.49Å; W519-W529 HydrophobicContact CB-CH2 4.38Å; W519-W529 HydrophobicContact CB-CZ3 3.78Å
520H85.7Confident82.2Confident70 Ų7047.2 Ų47.232%0.32425%0.246SC..  trans-125.4-45.1-179-76.9-107000112.5F429 A430 E518F429-H520 HydrophobicContact CD2-CB 4.3Å; F429-H520 HydrophobicContact CE2-CB 3.82Å; F429-H520 AromaticContact CE2-CD2 3.51Å; F429-H520 AromaticContact CE2-CG 3.47Å; F429-H520 VanDerWaalsContact CE2-CG 3.47Å; F429-H520 AromaticContact CE2-ND1 3.93Å; F429-H520 AromaticContact CE2-NE2 3.98Å; F429-H520 AromaticContact CZ-CG 3.99Å; F429-H520 AromaticContact CZ-ND1 3.96Å; A430-H520 PolarHBondContact O-N 3.18Å; E518-H520 IonicContact OE2-CE1 2.7Å; E518-H520 IonicContact OE2-NE2 3.43Å; E518-H520 PolarHBondContact OE2-NE2 2.91Å; E518-H520 VanDerWaalsContact OE2-NE2 3.11Å
521N78.3Confident82Confident53 Ų5350.9 Ų50.928%0.28326%0.262SS..  trans-144.2157.5-178.9-64.6-74.5000112I424 M428 F429 A430 W519I424-N521 HydrophobicContact CD1-CB 4.14Å; M428-N521 WeakPolarHBondContact CE-OD1 3.41Å; F429-N521 WeakPolarHBondContact O-CB 3.38Å; F429-N521 PolarHBondContact O-ND2 3.47Å; A430-N521 WeakPolarHBondContact CA-O 3.27Å; A430-N521 WeakPolarHBondContact CB-O 3.28Å; A430-N521 PolarHBondContact O-N 2.62Å; A430-N521 VanDerWaalsContact O-N 3.12Å; W519-N521 PolarHBondContact NE1-O 2.93Å
522G63.5Low82.2Confident28 Ų2851.7 Ų51.729%0.28927%0.266SS..  trans-178.7133.9169.500000113.3
523G59.7Low82.5Confident30 Ų3044.7 Ų44.731%0.30923%0.229SC..G310 helixtrans-77131166.600000110N525 T526G523-N525 VanDerWaalsContact C-N 3.32Å; G523-N525 PolarHBondContact O-N 2.92Å; G523-T526 PolarHBondContact O-N 3.35Å; G523-T526 PolarHBondContact O-OG1 2.98Å
524K60.5Low82.8Confident202 Ų20246.4 Ų46.488%0.87823%0.234SC*.G310 helixtrans57.332.5174-54.5-179.7178.1-1800115.6T526K524-T526 PolarHBondContact O-N 3.44Å
525N63.2Low82.9Confident100 Ų10050 Ų5054%0.53525%0.249SC..G310 helixtrans58.721.9-179.7-60.5-5.9000115.1G523G523-N525 VanDerWaalsContact C-N 3.32Å; G523-N525 PolarHBondContact O-N 2.92Å
526T76.6Confident82.8Confident39 Ų3950.4 Ų50.424%0.23925%0.251CS..  trans-109.689.7177.248.30000110.3Y421 G523 K524Y421-T526 WeakPolarHBondContact CB-OG1 3.37Å; G523-T526 PolarHBondContact O-N 3.35Å; G523-T526 PolarHBondContact O-OG1 2.98Å; K524-T526 PolarHBondContact O-N 3.44Å
527S83.4Confident82.4Confident1 Ų150.4 Ų50.41%0.00726%0.258CS..  trans-117.4149.1173.754.20000110.8G502 T503 W519 W529G502-S527 WeakPolarHBondContact CA-O 3.31Å; G502-S527 PolarHBondContact N-O 3.21Å; T503-S527 WeakPolarHBondContact CG2-OG 3.42Å; W519-S527 PolarHBondContact NE1-OG 3.49Å; S527-W529 PolarHBondContact O-N 3.38Å
528P87.6Confident82Confident0 Ų050.5 Ų50.50%026%0.258CS..EExtended strand (participates in β ladder)trans-62.8130.417323.6-29.4000110.5L405 M416 A430 T431 I499 T500L405-P528 HydrophobicContact CD1-CB 3.7Å; L405-P528 HydrophobicContact CD1-CG 3.92Å; M416-P528 HydrophobicContact CB-CB 4.39Å; M416-P528 HydrophobicContact CB-CG 3.76Å; M416-P528 HydrophobicContact CE-CB 4.49Å; A430-P528 HydrophobicContact CB-CG 4.37Å; T431-P528 WeakPolarHBondContact CB-O 3.43Å; T431-P528 WeakPolarHBondContact CG2-O 3.25Å; T431-P528 PolarHBondContact OG1-O 3.36Å; I499-P528 HydrophobicContact CG2-CB 3.67Å; T500-P528 CarbonylContact O-C 3.53Å; T500-P528 WeakPolarHBondContact O-CA 3.38Å
529W89.8Confident81.2Confident8 Ų850.3 Ų50.33%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-135.8136.4-179.2-164.1-100000111.6T431 I499 T500 T503 L505 E508 S517 W519 S527 K531T431-W529 HydrophobicContact CG2-CE3 3.74Å; T431-W529 HydrophobicContact CG2-CZ3 3.92Å; I499-W529 CarbonylContact C-O 3.57Å; I499-W529 VanDerWaalsContact CA-O 3.3Å; I499-W529 WeakPolarHBondContact CA-O 3.36Å; T500-W529 PolarHBondContact N-O 3.07Å; T500-W529 PolarHBondContact O-N 3.45Å; T500-W529 PolarHBondContact OG1-O 3.35Å; T503-W529 HydrophobicContact CG2-CB 4.19Å; T503-W529 HydrophobicContact CG2-CD2 3.68Å; T503-W529 HydrophobicContact CG2-CE3 3.55Å; T503-W529 HydrophobicContact CG2-CG 3.99Å; T503-W529 HydrophobicContact CG2-CZ3 4.14Å; L505-W529 HydrophobicContact CB-CH2 4.27Å; L505-W529 HydrophobicContact CB-CZ2 3.61Å; L505-W529 HydrophobicContact CD1-CZ2 4.44Å; L505-W529 WeakPolarHBondContact O-CH2 3.26Å; E508-W529 HydrophobicContact CB-CZ2 3.83Å; E508-W529 PolarHBondContact OE2-NE1 3.24Å; S517-W529 WeakPolarHBondContact OG-CH2 3.36Å; S517-W529 WeakPolarHBondContact OG-CZ2 3.33Å; W519-W529 HydrophobicContact CB-CH2 4.38Å; W519-W529 HydrophobicContact CB-CZ3 3.78Å; S527-W529 PolarHBondContact O-N 3.38Å; W529-K531 PolarHBondContact O-N 3.47Å
530P90.1Very high80.8Confident0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-67.6128.6173.329.4-34.8000111.2L433 I497 T498 I499 F510 V533L433-P530 HydrophobicContact CD2-CB 4.4Å; L433-P530 HydrophobicContact CD2-CG 3.8Å; I497-P530 HydrophobicContact CG2-CB 3.84Å; T498-P530 CarbonylContact O-C 3.58Å; T498-P530 WeakPolarHBondContact O-CA 3.33Å; I499-P530 HydrophobicContact CD1-CB 4.23Å; F510-P530 HydrophobicContact CE2-CB 4.08Å; F510-P530 HydrophobicContact CE2-CG 3.55Å; F510-P530 HydrophobicContact CZ-CB 3.99Å; F510-P530 HydrophobicContact CZ-CG 3.74Å; P530-V533 HydrophobicContact CB-CG2 4.01Å
531K87.2Confident80.5Confident100 Ų10050.7 Ų50.744%0.43526%0.263SS..EExtended strand (participates in β ladder)trans-95-45.9173.8-176-172.1-178.9-174.10111.2V474 T498 T500 W529V474-K531 HydrophobicContact CG2-CD 4.09Å; T498-K531 PolarHBondContact O-N 3.04Å; T500-K531 HydrophobicContact CG2-CB 3.95Å; T500-K531 HydrophobicContact CG2-CD 3.88Å; T500-K531 HydrophobicContact CG2-CG 4.34Å; W529-K531 PolarHBondContact O-N 3.47Å
532T88.6Confident80.4Confident49 Ų4948.9 Ų48.930%0.30125%0.252SS..EExtended strand (participates in β ladder)trans-133.1148.2173.266.40000109.8I497 T498I497-T532 WeakPolarHBondContact CA-O 3.49Å; T498-T532 WeakPolarHBondContact CG2-OG1 3.34Å; T498-T532 PolarHBondContact N-O 3.39Å; T498-T532 PolarHBondContact OG1-N 3.36Å; T498-T532 PolarHBondContact OG1-OG1 3.48Å
533V90.6Very high80.5Confident12 Ų1249.8 Ų49.87%0.07325%0.254CS..EExtended strand (participates in β ladder)trans-140115.7176.6179.10000107Y495 F496 I497 F510 C511 V515 P530Y495-V533 HydrophobicContact CD1-CG1 4.26Å; F496-V533 WeakPolarHBondContact O-CA 3.4Å; I497-V533 HydrophobicContact CD1-CG1 4.18Å; I497-V533 HydrophobicContact CD1-CG2 4.2Å; I497-V533 HydrophobicContact CG1-CB 4.41Å; I497-V533 HydrophobicContact CG1-CG1 4.04Å; I497-V533 HydrophobicContact CG1-CG2 4.1Å; I497-V533 HydrophobicContact CG2-CG2 4.08Å; F510-V533 HydrophobicContact CB-CB 3.62Å; F510-V533 HydrophobicContact CB-CG1 4.08Å; F510-V533 HydrophobicContact CB-CG2 3.84Å; F510-V533 HydrophobicContact CD1-CB 4.03Å; F510-V533 HydrophobicContact CD1-CG2 3.75Å; F510-V533 HydrophobicContact CD2-CG2 3.82Å; F510-V533 HydrophobicContact CE1-CG2 4.23Å; F510-V533 HydrophobicContact CE2-CG2 4.31Å; F510-V533 HydrophobicContact CG-CB 3.83Å; F510-V533 HydrophobicContact CG-CG2 3.52Å; F510-V533 HydrophobicContact CZ-CG2 4.49Å; C511-V533 PolarHBondContact SG-O 3.29Å; V515-V533 HydrophobicContact CB-CG1 4.29Å; V515-V533 HydrophobicContact CG1-CG1 4.41Å; V515-V533 HydrophobicContact CG2-CG1 4.08Å; P530-V533 HydrophobicContact CB-CG2 4.01Å
534D90.2Very high80.3Confident53 Ų5354 Ų5428%0.28327%0.266SS..EExtended strand (participates in β ladder)trans-121.5134.7-177.4-64.4-67.4000110Y495 F496 L600Y495-D534 CarbonylContact C-O 3.56Å; Y495-D534 WeakPolarHBondContact CA-O 3.11Å; F496-D534 PolarHBondContact N-O 3.32Å; F496-D534 PolarHBondContact O-N 2.88Å; D534-L600 HydrophobicContact CB-CD1 4.01Å; D534-L600 HydrophobicContact CB-CD2 4.23Å
535K89.2Confident79.9Confident91 Ų9147 Ų4740%0.39624%0.242SC..EExtended strand (participates in β ladder)trans-91.9126.1177-170175.8-170.9165.40110N493 Y495 E514N493-K535 WeakPolarHBondContact OD1-CE 3.42Å; N493-K535 PolarHBondContact OD1-NZ 2.94Å; Y495-K535 HydrophobicContact CD1-CB 4.1Å; Y495-K535 HydrophobicContact CD1-CG 4.24Å; Y495-K535 HydrophobicContact CE1-CB 4.02Å; Y495-K535 HydrophobicContact CE1-CD 4Å; Y495-K535 HydrophobicContact CE1-CG 3.9Å; E514-K535 VanDerWaalsContact CD-NZ 3.34Å; E514-K535 IonicContact OE1-NZ 3.86Å; E514-K535 PolarHBondContact OE1-NZ 3.16Å; E514-K535 VanDerWaalsContact OE1-NZ 3.12Å; E514-K535 WeakPolarHBondContact OE2-CD 3.36Å; E514-K535 WeakPolarHBondContact OE2-CE 3.3Å; E514-K535 IonicContact OE2-NZ 2.72Å; E514-K535 PolarHBondContact OE2-NZ 3Å
536I88.4Confident79.2Confident9 Ų948 Ų485%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-107.2124.6-178-58.3179.6000109.3L478 T494 F496 M538 L541 L595 M597 L600 V611L478-I536 HydrophobicContact CD1-CD1 4.4Å; T494-I536 PolarHBondContact O-N 2.88Å; F496-I536 HydrophobicContact CB-CD1 3.7Å; F496-I536 HydrophobicContact CB-CG1 4.38Å; I536-M538 HydrophobicContact CG2-CG 4.27Å; I536-M538 HydrophobicContact CG2-SD 3.79Å; I536-M538 PolarHBondContact O-N 2.76Å; I536-L541 HydrophobicContact CG2-CD1 3.31Å; I536-L595 HydrophobicContact CD1-CD2 4.21Å; I536-M597 HydrophobicContact CD1-CG 3.97Å; I536-M597 HydrophobicContact CD1-SD 3.6Å; I536-L600 HydrophobicContact CD1-CD1 4.15Å; I536-L600 HydrophobicContact CG1-CD1 4.27Å; I536-V611 HydrophobicContact CG2-CG1 4.4Å
537D84.7Confident78Confident92 Ų9248.3 Ų48.349%0.49226%0.259SS..  trans-85.588.5172.2-171.1-15.2000110.1D539 K540 L541D537-D539 PolarHBondContact OD1-N 2.85Å; D537-K540 HydrophobicContact CB-CB 4.04Å; D537-K540 VanDerWaalsContact CG-CB 3.42Å; D537-K540 PolarHBondContact O-N 3.3Å; D537-K540 PolarHBondContact OD1-N 2.68Å; D537-K540 WeakPolarHBondContact OD2-CB 3.36Å; D537-L541 WeakPolarHBondContact O-CD1 3.49Å; D537-L541 WeakPolarHBondContact O-CG 3.41Å; D537-L541 PolarHBondContact O-N 3.15Å; D537-L541 VanDerWaalsContact O-N 3.11Å
538M83.2Confident76.3Confident1 Ų156.9 Ų56.91%0.00530%0.304CS..Hα-helixtrans-65.6-36.4-177.8-68.9-65.2-74.800112.4F491 T494 I536 L541 F542 L571 F584 L595F491-M538 HydrophobicContact CB-CB 3.66Å; F491-M538 HydrophobicContact CB-CG 4.48Å; T494-M538 HydrophobicContact CG2-CG 4.09Å; T494-M538 HydrophobicContact CG2-SD 4.48Å; T494-M538 WeakPolarHBondContact OG1-CG 3.48Å; I536-M538 HydrophobicContact CG2-CG 4.27Å; I536-M538 HydrophobicContact CG2-SD 3.79Å; I536-M538 PolarHBondContact O-N 2.76Å; M538-L541 PolarHBondContact O-N 2.96Å; M538-L541 HydrophobicContact SD-CD1 4.48Å; M538-F542 HydrophobicContact CE-CD2 3.98Å; M538-F542 HydrophobicContact CE-CE2 3.29Å; M538-F542 HydrophobicContact CE-CZ 3.88Å; M538-F542 WeakPolarHBondContact O-CB 3.37Å; M538-F542 VanDerWaalsContact O-CD2 3.26Å; M538-F542 WeakPolarHBondContact O-CD2 3.49Å; M538-F542 PolarHBondContact O-N 3.31Å; M538-F542 HydrophobicContact SD-CD2 4.46Å; M538-F542 HydrophobicContact SD-CE2 3.91Å; M538-L571 HydrophobicContact CE-CD1 4.27Å; M538-F584 HydrophobicContact CE-CE1 3.7Å; M538-F584 HydrophobicContact CE-CE2 4.29Å; M538-F584 HydrophobicContact CE-CZ 3.38Å; M538-L595 HydrophobicContact CE-CD2 4.41Å; M538-L595 HydrophobicContact SD-CD1 4.08Å; M538-L595 HydrophobicContact SD-CD2 4.01Å
539D76.8Confident74.7Confident30 Ų3061.4 Ų61.416%0.1633%0.328CS..Hα-helixtrans-65.3-43.4178.9-74.6-25.5000110.6N489 I490 F491 D537 S543N489-D539 WeakPolarHBondContact CA-OD2 3.41Å; N489-D539 WeakPolarHBondContact CB-OD2 3.41Å; N489-D539 VanDerWaalsContact CG-OD2 3.32Å; I490-D539 WeakPolarHBondContact CB-OD1 3.4Å; I490-D539 PolarHBondContact N-OD1 2.97Å; I490-D539 PolarHBondContact N-OD2 2.57Å; F491-D539 PolarHBondContact N-OD1 3.06Å; D537-D539 PolarHBondContact OD1-N 2.85Å; D539-S543 WeakPolarHBondContact O-CB 3.33Å; D539-S543 PolarHBondContact O-N 3.39Å; D539-S543 PolarHBondContact O-OG 3.12Å
540K78.9Confident72.9Confident129 Ų12969 Ų6956%0.56136%0.364SS*.Hα-helixtrans-60-51.2174.8-173.2-179.1179.1-173.60111.5D537 F542 S543D537-K540 HydrophobicContact CB-CB 4.04Å; D537-K540 VanDerWaalsContact CG-CB 3.42Å; D537-K540 PolarHBondContact O-N 3.3Å; D537-K540 PolarHBondContact OD1-N 2.68Å; D537-K540 WeakPolarHBondContact OD2-CB 3.36Å; K540-F542 VanDerWaalsContact C-N 3.34Å; K540-F542 PolarHBondContact O-N 3.03Å; K540-S543 PolarHBondContact O-N 3.25Å; K540-S543 PolarHBondContact O-OG 3.44Å
541L79.8Confident71.2Confident38 Ų3872.2 Ų72.220%0.19939%0.387CS..Hα-helixtrans-57.4-43.6-178.5-78.6163.2000113.1I536 D537 M538 L595 V611I536-L541 HydrophobicContact CG2-CD1 3.31Å; D537-L541 WeakPolarHBondContact O-CD1 3.49Å; D537-L541 WeakPolarHBondContact O-CG 3.41Å; D537-L541 PolarHBondContact O-N 3.15Å; D537-L541 VanDerWaalsContact O-N 3.11Å; M538-L541 PolarHBondContact O-N 2.96Å; M538-L541 HydrophobicContact SD-CD1 4.48Å; L541-L595 HydrophobicContact CD1-CD1 4.18Å; L541-V611 HydrophobicContact CD1-CB 4.47Å; L541-V611 HydrophobicContact CD1-CG1 3.77Å; L541-V611 HydrophobicContact CD2-CB 4.38Å; L541-V611 HydrophobicContact CD2-CG1 4.26Å; L541-V611 WeakPolarHBondContact CD2-O 3.15Å
542F76.7Confident69.7Low14 Ų1468.9 Ų68.96%0.06137%0.373CS..Hα-helixtrans-92.5-7.3-175.4-72.1-103.2000113.2M538 K540 F584 Y594 L595 R614 W615M538-F542 HydrophobicContact CE-CD2 3.98Å; M538-F542 HydrophobicContact CE-CE2 3.29Å; M538-F542 HydrophobicContact CE-CZ 3.88Å; M538-F542 WeakPolarHBondContact O-CB 3.37Å; M538-F542 VanDerWaalsContact O-CD2 3.26Å; M538-F542 WeakPolarHBondContact O-CD2 3.49Å; M538-F542 PolarHBondContact O-N 3.31Å; M538-F542 HydrophobicContact SD-CD2 4.46Å; M538-F542 HydrophobicContact SD-CE2 3.91Å; K540-F542 VanDerWaalsContact C-N 3.34Å; K540-F542 PolarHBondContact O-N 3.03Å; F542-F584 AromaticContact CE1-CZ 3.92Å; F542-F584 HydrophobicContact CE1-CZ 3.92Å; F542-F584 HydrophobicContact CE2-CZ 4.13Å; F542-F584 AromaticContact CZ-CE1 3.92Å; F542-F584 HydrophobicContact CZ-CE1 3.92Å; F542-F584 AromaticContact CZ-CZ 3.49Å; F542-F584 HydrophobicContact CZ-CZ 3.49Å; F542-F584 VanDerWaalsContact CZ-CZ 3.49Å; F542-Y594 VanDerWaalsContact CZ-O 3.29Å; F542-Y594 WeakPolarHBondContact CZ-O 3.2Å; F542-L595 HydrophobicContact CE2-CD1 4.46Å; F542-R614 VanDerWaalsContact CE1-N 3.31Å; F542-R614 WeakPolarHBondContact CE1-O 3.37Å; F542-W615 HydrophobicContact CB-CZ2 4.38Å; F542-W615 AromaticContact CD1-CD1 3.95Å; F542-W615 AromaticContact CD1-CD2 3.75Å; F542-W615 HydrophobicContact CD1-CD2 3.75Å; F542-W615 AromaticContact CD1-CE2 3.46Å; F542-W615 VanDerWaalsContact CD1-CE2 3.46Å; F542-W615 HydrophobicContact CD1-CE3 4.33Å; F542-W615 HydrophobicContact CD1-CG 4.07Å; F542-W615 HydrophobicContact CD1-CH2 4.41Å; F542-W615 AromaticContact CD1-CZ2 3.81Å; F542-W615 HydrophobicContact CD1-CZ2 3.81Å; F542-W615 AromaticContact CD1-NE1 3.59Å; F542-W615 HydrophobicContact CE1-CD2 4.15Å; F542-W615 HydrophobicContact CE1-CE3 4.31Å; F542-W615 HydrophobicContact CE1-CZ2 4.42Å; F542-W615 HydrophobicContact CG-CZ2 4.29Å
543S66Low68.2Low47 Ų4771.2 Ų71.233%0.32938%0.379SS..Hα-helixtrans-76.3-23172.672.10000113.7D539 K540 C545 K553D539-S543 WeakPolarHBondContact O-CB 3.33Å; D539-S543 PolarHBondContact O-N 3.39Å; D539-S543 PolarHBondContact O-OG 3.12Å; K540-S543 PolarHBondContact O-N 3.25Å; K540-S543 PolarHBondContact O-OG 3.44Å; S543-C545 PolarHBondContact O-N 3.2Å; S543-K553 WeakPolarHBondContact O-CE 3.47Å; S543-K553 PolarHBondContact O-NZ 3.07Å
544E55Low66.6Low118 Ų11873.8 Ų73.855%0.55140%0.398SS*.SBendtrans-96.170.5177.9-65.8177.9-17200109.3N546E544-N546 PolarHBondContact O-N 2.9Å; E544-N546 VanDerWaalsContact O-N 3.12Å
545C51.6Low65Low56 Ų5674.9 Ų74.938%0.37840%0.403SS..  trans-63.8116.3170.2-75.40000108.9S543 G547S543-C545 PolarHBondContact O-N 3.2Å; C545-G547 PolarHBondContact O-N 3.43Å
546N49.3Very low63.5Low121 Ų12171.4 Ų71.465%0.64739%0.389SS*.SBendtrans-74.143.8-176.9-78.3-36.3000114E544E544-N546 PolarHBondContact O-N 2.9Å; E544-N546 VanDerWaalsContact O-N 3.12Å
547G51.7Low62.1Low46 Ų4673.9 Ų73.947%0.47440%0.402SS..SBendtrans-160.3152.2175.800000111.7C545 D549C545-G547 PolarHBondContact O-N 3.43Å; G547-D549 PolarHBondContact O-N 3.28Å
548N47.4Very low60.9Low180 Ų18072.5 Ų72.596%0.96340%0.397SS*.SBendtrans-6318.5-172-71.8-19.7000116.5E550N548-E550 PolarHBondContact O-N 3.43Å
549D53.3Low59.7Low96 Ų9673.4 Ų73.451%0.51340%0.401SS..  trans-94.969.5-174.1-122.6-24.6000112G547 S551 L552G547-D549 PolarHBondContact O-N 3.28Å; D549-S551 PolarHBondContact O-N 3.27Å; D549-S551 VanDerWaalsContact O-N 3.12Å; D549-S551 PolarHBondContact OD1-OG 2.83Å; D549-L552 PolarHBondContact O-N 3.3Å
550E53.2Low58.8Low166 Ų16672.8 Ų72.878%0.77640%0.398SS*.Hα-helixtrans-56.6-23170.8-78.8-163.2152.200112.6N548 L552 S554N548-E550 PolarHBondContact O-N 3.43Å; E550-L552 PolarHBondContact O-N 3.42Å; E550-S554 WeakPolarHBondContact O-CB 3.41Å; E550-S554 PolarHBondContact O-N 3.24Å; E550-S554 PolarHBondContact O-OG 3.02Å
551S54.2Low57.7Low68 Ų6873.4 Ų73.448%0.47640%0.401SS..Hα-helixtrans-59.3-44.1176.775.80000111.8D549 S554 L555D549-S551 PolarHBondContact O-N 3.27Å; D549-S551 VanDerWaalsContact O-N 3.12Å; D549-S551 PolarHBondContact OD1-OG 2.83Å; S551-S554 PolarHBondContact O-OG 3.47Å; S551-L555 WeakPolarHBondContact O-CB 3.49Å; S551-L555 PolarHBondContact O-N 3.48Å
552L55.4Low56.4Low30 Ų3077.6 Ų77.616%0.15742%0.419CS..Hα-helixtrans-75.4-38.2-176-144.4115.5000111.4D549 E550 L555 I556 C674D549-L552 PolarHBondContact O-N 3.3Å; E550-L552 PolarHBondContact O-N 3.42Å; L552-L555 PolarHBondContact O-N 3Å; L552-I556 HydrophobicContact CD2-CD1 3.49Å; L552-I556 VanDerWaalsContact CD2-CD1 3.49Å; L552-I556 HydrophobicContact CG-CD1 4.12Å; L552-I556 WeakPolarHBondContact O-CB 3.35Å; L552-I556 VanDerWaalsContact O-CG1 3.31Å; L552-I556 WeakPolarHBondContact O-CG1 3.49Å; L552-I556 PolarHBondContact O-N 2.86Å; L552-C674 HydrophobicContact CD2-CB 4Å
553K56.3Low55.3Low98 Ų9878.9 Ų78.943%0.42643%0.425SS..Hα-helixtrans-62.4-48.7175.8-177.8172.3179.1165.60111.4S543 L557S543-K553 WeakPolarHBondContact O-CE 3.47Å; S543-K553 PolarHBondContact O-NZ 3.07Å; K553-L557 HydrophobicContact CG-CD1 4.38Å; K553-L557 WeakPolarHBondContact O-CB 3.39Å; K553-L557 PolarHBondContact O-N 3.45Å
554S58Low54.6Low66 Ų6677.5 Ų77.546%0.46241%0.413SS..Hα-helixtrans-65.9-43.2176.459.20000111E550 S551 T558E550-S554 WeakPolarHBondContact O-CB 3.41Å; E550-S554 PolarHBondContact O-N 3.24Å; E550-S554 PolarHBondContact O-OG 3.02Å; S551-S554 PolarHBondContact O-OG 3.47Å; S554-T558 WeakPolarHBondContact O-CA 3.36Å; S554-T558 WeakPolarHBondContact O-CB 3.5Å; S554-T558 PolarHBondContact O-N 2.89Å; S554-T558 PolarHBondContact O-OG1 3.06Å
555L56Low54.4Low76 Ų7673.3 Ų73.340%0.39840%0.396SS..Hα-helixtrans-67.2-42.9-178.1-168.569.9000113S551 L552 T558 E559 R618S551-L555 WeakPolarHBondContact O-CB 3.49Å; S551-L555 PolarHBondContact O-N 3.48Å; L552-L555 PolarHBondContact O-N 3Å; L555-T558 PolarHBondContact O-N 3.37Å; L555-E559 VanDerWaalsContact O-CB 3.25Å; L555-E559 WeakPolarHBondContact O-CB 3.47Å; L555-E559 WeakPolarHBondContact O-CG 3.18Å; L555-E559 PolarHBondContact O-N 2.78Å; L555-R618 VanDerWaalsContact CD2-CZ 3.47Å
556I58.8Low54.3Low19 Ų1971.8 Ų71.810%0.09739%0.386CS..Hα-helixtrans-66.8-48.3177.3-71.1166.9000110.7L552 T558 E559 L560 L591L552-I556 HydrophobicContact CD2-CD1 3.49Å; L552-I556 VanDerWaalsContact CD2-CD1 3.49Å; L552-I556 HydrophobicContact CG-CD1 4.12Å; L552-I556 WeakPolarHBondContact O-CB 3.35Å; L552-I556 VanDerWaalsContact O-CG1 3.31Å; L552-I556 WeakPolarHBondContact O-CG1 3.49Å; L552-I556 PolarHBondContact O-N 2.86Å; I556-T558 VanDerWaalsContact C-N 3.28Å; I556-T558 PolarHBondContact O-N 2.99Å; I556-E559 PolarHBondContact O-N 3.34Å; I556-L560 HydrophobicContact CG2-CD1 3.63Å; I556-L560 HydrophobicContact CG2-CG 4.32Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CG 3.28Å; I556-L560 PolarHBondContact O-N 3.42Å; I556-L591 HydrophobicContact CD1-CD1 3.8Å; I556-L591 HydrophobicContact CD1-CD2 3.69Å; I556-L591 HydrophobicContact CD1-CG 4.39Å; I556-L591 HydrophobicContact CG1-CD1 4.26Å; I556-L591 HydrophobicContact CG1-CD2 4.29Å; I556-L591 HydrophobicContact CG2-CD1 3.77Å
557L59.3Low54.5Low60 Ų6068.3 Ų68.331%0.31437%0.367SS..Hα-helixtrans-64.1-36.1176.6-101.1110.4000111.5I490 K553 K561I490-L557 HydrophobicContact CD1-CG 4.33Å; K553-L557 HydrophobicContact CG-CD1 4.38Å; K553-L557 WeakPolarHBondContact O-CB 3.39Å; K553-L557 PolarHBondContact O-N 3.45Å; L557-K561 HydrophobicContact CD2-CD 4.43Å; L557-K561 WeakPolarHBondContact O-CB 3.4Å; L557-K561 WeakPolarHBondContact O-CD 3.36Å; L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.33Å
558T59.1Low54.9Low63 Ų6368.3 Ų68.339%0.38735%0.354SS..Hα-helixtrans-73.5-43.4179.4-55.30000110.9S554 L555 I556 K561 Q562S554-T558 WeakPolarHBondContact O-CA 3.36Å; S554-T558 WeakPolarHBondContact O-CB 3.5Å; S554-T558 PolarHBondContact O-N 2.89Å; S554-T558 PolarHBondContact O-OG1 3.06Å; L555-T558 PolarHBondContact O-N 3.37Å; I556-T558 VanDerWaalsContact C-N 3.28Å; I556-T558 PolarHBondContact O-N 2.99Å; T558-K561 PolarHBondContact O-N 3.43Å; T558-Q562 HydrophobicContact CG2-CG 4.14Å; T558-Q562 WeakPolarHBondContact O-CB 2.97Å; T558-Q562 WeakPolarHBondContact O-CG 3.47Å; T558-Q562 PolarHBondContact O-N 3.43Å
559E57.2Low55.9Low21 Ų2159.9 Ų59.910%0.09831%0.309CS..Hα-helixtrans-62.5-44.3173.5-80.3-159.7101.800111.3L555 I556 Q562 K563 R618L555-E559 VanDerWaalsContact O-CB 3.25Å; L555-E559 WeakPolarHBondContact O-CB 3.47Å; L555-E559 WeakPolarHBondContact O-CG 3.18Å; L555-E559 PolarHBondContact O-N 2.78Å; I556-E559 PolarHBondContact O-N 3.34Å; E559-Q562 PolarHBondContact O-N 3.27Å; E559-K563 WeakPolarHBondContact O-CB 3.5Å; E559-K563 VanDerWaalsContact O-CG 3.3Å; E559-K563 WeakPolarHBondContact O-CG 3.35Å; E559-K563 PolarHBondContact O-N 3.42Å; E559-K563 IonicContact OE1-NZ 2.74Å; E559-K563 PolarHBondContact OE1-NZ 3.42Å; E559-R618 IonicContact OE2-CZ 3.85Å; E559-R618 IonicContact OE2-NH2 2.68Å; E559-R618 PolarHBondContact OE2-NH2 3.47Å
560L57.9Low56.9Low17 Ų1756 Ų569%0.08929%0.289CS..Hα-helixtrans-65.6-43.6177-73.8172.4000111.6I490 I556 N564 A587I490-L560 HydrophobicContact CD1-CD1 4.2Å; I490-L560 HydrophobicContact CG2-CD1 4.2Å; I556-L560 HydrophobicContact CG2-CD1 3.63Å; I556-L560 HydrophobicContact CG2-CG 4.32Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CG 3.28Å; I556-L560 PolarHBondContact O-N 3.42Å; L560-N564 WeakPolarHBondContact O-CB 3.01Å; L560-N564 PolarHBondContact O-N 3.03Å; L560-A587 HydrophobicContact CD1-CB 4.2Å; L560-A587 HydrophobicContact CD2-CB 3.89Å
561K56.7Low58.4Low142 Ų14248.2 Ų48.262%0.61725%0.253SS*.Hα-helixtrans-68.7-32.1176-75.6173.3170.9175.90113.2L557 T558L557-K561 HydrophobicContact CD2-CD 4.43Å; L557-K561 WeakPolarHBondContact O-CB 3.4Å; L557-K561 WeakPolarHBondContact O-CD 3.36Å; L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.33Å; T558-K561 PolarHBondContact O-N 3.43Å
562Q52.5Low59.7Low126 Ų12645.9 Ų45.959%0.58924%0.237SC*.Hα-helixtrans-79.8-31.6177.3-77-179.6-3.200112.7T558 E559T558-Q562 HydrophobicContact CG2-CG 4.14Å; T558-Q562 WeakPolarHBondContact O-CB 2.97Å; T558-Q562 WeakPolarHBondContact O-CG 3.47Å; T558-Q562 PolarHBondContact O-N 3.43Å; E559-Q562 PolarHBondContact O-N 3.27Å
563K52.3Low61Low40 Ų4046.3 Ų46.317%0.17424%0.241CC..Hα-helixtrans-91.6-28.7-177.1-71.5174.4172.5164.70113.4E559E559-K563 WeakPolarHBondContact O-CB 3.5Å; E559-K563 VanDerWaalsContact O-CG 3.3Å; E559-K563 WeakPolarHBondContact O-CG 3.35Å; E559-K563 PolarHBondContact O-N 3.42Å; E559-K563 IonicContact OE1-NZ 2.74Å; E559-K563 PolarHBondContact OE1-NZ 3.42Å
564N51.9Low62.5Low18 Ų1843.1 Ų43.110%0.09623%0.228CC..  trans-119.9108.2-172.5-69-10.7000112L560 D588L560-N564 WeakPolarHBondContact O-CB 3.01Å; L560-N564 PolarHBondContact O-N 3.03Å; N564-D588 PolarHBondContact ND2-OD2 3.46Å
565T49.9Very low63.9Low30 Ų3040.1 Ų40.118%0.18421%0.207CC..SBendtrans-72.8-16.5166.949.60000112.5W13 N327 I359 L374W13-T565 HydrophobicContact CH2-CG2 3.56Å; W13-T565 HydrophobicContact CZ2-CG2 3.5Å; W13-T565 VanDerWaalsContact CZ2-CG2 3.5Å; N327-T565 PolarHBondContact ND2-O 3.33Å; I359-T565 HydrophobicContact CD1-CG2 4.01Å; L374-T565 WeakPolarHBondContact CD2-OG1 3.43Å
566C50.7Low65.5Low24 Ų2436.6 Ų36.616%0.16219%0.188CC..SBendtrans-107.8105171.4-66.80000108.5F568C566-F568 PolarHBondContact O-N 2.84Å
567L52Low66.7Low49 Ų4937 Ų3726%0.25719%0.19SC..  trans-62.811.7-167.9-83.9118.3000117.3S487 N489S487-L567 WeakPolarHBondContact O-CB 3.11Å; S487-L567 WeakPolarHBondContact O-CD1 3.26Å; S487-L567 VanDerWaalsContact O-CD2 3.31Å; S487-L567 WeakPolarHBondContact O-CD2 3.38Å; S487-L567 WeakPolarHBondContact O-CG 3.36Å; N489-L567 VanDerWaalsContact O-O 3.08Å
568F62Low67.7Low46 Ų4634.6 Ų34.620%0.20218%0.178CC..  trans-108.6128.5-176.8168.7-109.1000112.3V482 P492 C566 P570V482-F568 HydrophobicContact CB-CE2 4.45Å; V482-F568 HydrophobicContact CG1-CD1 4.45Å; V482-F568 HydrophobicContact CG1-CD2 4.17Å; V482-F568 HydrophobicContact CG1-CE2 4.46Å; V482-F568 HydrophobicContact CG1-CG 4.16Å; V482-F568 HydrophobicContact CG2-CD1 4.18Å; V482-F568 HydrophobicContact CG2-CD2 3.72Å; V482-F568 HydrophobicContact CG2-CE1 3.7Å; V482-F568 HydrophobicContact CG2-CE2 3.18Å; V482-F568 HydrophobicContact CG2-CG 4.19Å; V482-F568 HydrophobicContact CG2-CZ 3.17Å; P492-F568 HydrophobicContact CG-CD2 3.55Å; P492-F568 HydrophobicContact CG-CE2 3.79Å; C566-F568 PolarHBondContact O-N 2.84Å; F568-P570 HydrophobicContact CE1-CB 3.68Å; F568-P570 HydrophobicContact CE1-CG 4.04Å; F568-P570 HydrophobicContact CZ-CB 3.66Å; F568-P570 HydrophobicContact CZ-CG 4.45Å
569S68.2Low68.8Low2 Ų232.1 Ų32.11%0.01416%0.163CC..  trans-111.2114.7167.6177.20000110.2I490 L571 A587 D588I490-S569 PolarHBondContact O-N 3.1Å; I490-S569 VanDerWaalsContact O-N 3.12Å; S569-L571 PolarHBondContact O-N 3.4Å; S569-A587 VanDerWaalsContact OG-CA 3.24Å; S569-A587 WeakPolarHBondContact OG-CA 3.48Å; S569-A587 PolarHBondContact OG-N 2.77Å; S569-D588 PolarHBondContact OG-N 2.89Å
570P74.3Confident70.1Confident15 Ų1532 Ų3210%0.09716%0.162CC..  trans-65.7133.9173.725.6-30.5000110.7L6 F568L6-P570 HydrophobicContact CD1-CB 4.42Å; L6-P570 HydrophobicContact CD1-CG 4.15Å; F568-P570 HydrophobicContact CE1-CB 3.68Å; F568-P570 HydrophobicContact CE1-CG 4.04Å; F568-P570 HydrophobicContact CZ-CB 3.66Å; F568-P570 HydrophobicContact CZ-CG 4.45Å
571L84.1Confident71.6Confident2 Ų232.9 Ų32.91%0.0117%0.165CC..  trans-71.4130.1166.6-60.7-176.2000108.7S456 F491 M538 S569 F574 F584S456-L571 WeakPolarHBondContact CB-O 3.04Å; S456-L571 PolarHBondContact OG-O 3.46Å; F491-L571 HydrophobicContact CD1-CD2 3.37Å; F491-L571 HydrophobicContact CD1-CG 4.11Å; F491-L571 HydrophobicContact CE1-CD2 3.56Å; F491-L571 HydrophobicContact CG-CD2 4.31Å; M538-L571 HydrophobicContact CE-CD1 4.27Å; S569-L571 PolarHBondContact O-N 3.4Å; L571-F574 HydrophobicContact CB-CE1 4.06Å; L571-F574 HydrophobicContact CB-CE2 4.24Å; L571-F574 HydrophobicContact CB-CZ 3.43Å; L571-F574 VanDerWaalsContact CB-CZ 3.43Å; L571-F574 HydrophobicContact CD1-CE1 4.39Å; L571-F574 HydrophobicContact CD1-CZ 4.36Å; L571-F584 HydrophobicContact CD2-CD2 3.51Å; L571-F584 HydrophobicContact CD2-CE2 3.47Å; L571-F584 VanDerWaalsContact CD2-CE2 3.47Å; L571-F584 HydrophobicContact CD2-CG 4.42Å; L571-F584 HydrophobicContact CD2-CZ 4.36Å; L571-F584 HydrophobicContact CG-CD2 4.44Å
572S82.2Confident73.2Confident20 Ų2026.1 Ų26.114%0.1414%0.136CC..EExtended strand (participates in β ladder)trans-137.7165.3-174.6600000111.5L6 F574 I585L6-S572 WeakPolarHBondContact O-CB 3.27Å; S572-F574 PolarHBondContact O-N 3.23Å; S572-I585 PolarHBondContact N-O 2.95Å; S572-I585 PolarHBondContact O-N 3.36Å; S572-I585 PolarHBondContact OG-O 3.49Å
573C81.6Confident75.1Confident38 Ų3820.1 Ų20.126%0.25711%0.108SC..EExtended strand (participates in β ladder)trans48.267.2171.1-63.60000113I585 T641 I643C573-I585 HydrophobicContact CB-CB 4.41Å; C573-I585 HydrophobicContact CB-CD1 3.86Å; C573-I585 HydrophobicContact CB-CG1 4.31Å; C573-T641 PolarHBondContact SG-O 3.35Å; C573-I643 WeakPolarHBondContact O-CD1 3.49Å; C573-I643 WeakPolarHBondContact O-CG1 3.47Å
574F87.9Confident76.9Confident31 Ų3118.2 Ų18.214%0.13610%0.1CC..EExtended strand (participates in β ladder)trans-81.6145.1-179.5-61-99.2000111.6S458 L478 L571 S572 V582 L583 F584S458-F574 VanDerWaalsContact CB-CG 3.42Å; S458-F574 WeakPolarHBondContact OG-CB 3.37Å; S458-F574 VanDerWaalsContact OG-CG 3.27Å; S458-F574 WeakPolarHBondContact OG-CG 3.29Å; L478-F574 HydrophobicContact CD2-CD1 4.33Å; L478-F574 HydrophobicContact CD2-CE1 3.67Å; L478-F574 HydrophobicContact CD2-CZ 4.45Å; L571-F574 HydrophobicContact CB-CE1 4.06Å; L571-F574 HydrophobicContact CB-CE2 4.24Å; L571-F574 HydrophobicContact CB-CZ 3.43Å; L571-F574 VanDerWaalsContact CB-CZ 3.43Å; L571-F574 HydrophobicContact CD1-CE1 4.39Å; L571-F574 HydrophobicContact CD1-CZ 4.36Å; S572-F574 PolarHBondContact O-N 3.23Å; F574-V582 HydrophobicContact CB-CG2 4.25Å; F574-V582 HydrophobicContact CD1-CG2 3.99Å; F574-L583 CarbonylContact C-O 3.53Å; F574-L583 VanDerWaalsContact CA-O 3.27Å; F574-L583 WeakPolarHBondContact CA-O 3.36Å; F574-F584 HydrophobicContact CD1-CB 3.5Å; F574-F584 HydrophobicContact CD1-CG 4.45Å; F574-F584 HydrophobicContact CE1-CB 3.65Å; F574-F584 HydrophobicContact CE1-CG 4.27Å; F574-F584 HydrophobicContact CG-CB 4.2Å; F574-F584 HydrophobicContact CZ-CB 4.47Å
575T88.3Confident78.6Confident4 Ų417.4 Ų17.43%0.02510%0.095CC..EExtended strand (participates in β ladder)trans-136.3131.7164.4-166.60000109.7L583 I643 C645T575-L583 HydrophobicContact CG2-CB 3.83Å; T575-L583 HydrophobicContact CG2-CD1 4.15Å; T575-L583 HydrophobicContact CG2-CG 4.43Å; T575-L583 PolarHBondContact N-O 3.3Å; T575-L583 PolarHBondContact O-N 3.19Å; T575-I643 HydrophobicContact CG2-CB 4.44Å; T575-I643 HydrophobicContact CG2-CD1 3.68Å; T575-I643 HydrophobicContact CG2-CG1 3.85Å; T575-C645 PolarHBondContact OG1-N 3.41Å; T575-C645 PolarHBondContact OG1-SG 3.29Å
576W88Confident80.1Confident1 Ų116 Ų160%0.0049%0.087CC..EExtended strand (participates in β ladder)trans-91.3137.6-178.9-68.673.4000110S458 P460 L464 P476 L478 F496 V582 M597 C645S458-W576 PolarHBondContact OG-NE1 3.12Å; P460-W576 VanDerWaalsContact CA-CD1 3.48Å; P460-W576 HydrophobicContact CB-CB 4.22Å; P460-W576 HydrophobicContact CB-CD2 4.32Å; P460-W576 HydrophobicContact CB-CG 4.02Å; P460-W576 HydrophobicContact CG-CD2 3.73Å; P460-W576 HydrophobicContact CG-CE3 4.03Å; P460-W576 HydrophobicContact CG-CG 3.97Å; P460-W576 HydrophobicContact CG-CZ2 4.45Å; P460-W576 HydrophobicContact CG-CZ3 4.5Å; L464-W576 HydrophobicContact CD2-CB 3.99Å; P476-W576 HydrophobicContact CB-CH2 3.8Å; P476-W576 HydrophobicContact CB-CZ3 3.91Å; P476-W576 HydrophobicContact CG-CE3 4.35Å; P476-W576 HydrophobicContact CG-CH2 4.02Å; P476-W576 HydrophobicContact CG-CZ3 3.81Å; L478-W576 HydrophobicContact CB-CZ2 4.26Å; F496-W576 HydrophobicContact CE2-CH2 4.19Å; F496-W576 HydrophobicContact CE2-CZ3 4.47Å; W576-V582 HydrophobicContact CD2-CB 3.94Å; W576-V582 HydrophobicContact CD2-CG2 3.91Å; W576-V582 HydrophobicContact CE3-CB 4.02Å; W576-V582 HydrophobicContact CE3-CG2 4.5Å; W576-V582 HydrophobicContact CG-CB 4.4Å; W576-V582 HydrophobicContact CG-CG2 4.06Å; W576-V582 HydrophobicContact CZ2-CB 4.49Å; W576-V582 HydrophobicContact CZ2-CG2 4.38Å; W576-V582 HydrophobicContact CZ3-CB 4.36Å; W576-M597 HydrophobicContact CH2-CE 3.94Å; W576-M597 HydrophobicContact CZ3-CE 3.91Å; W576-C645 PolarHBondContact O-SG 3.16Å; W576-C645 VanDerWaalsContact O-SG 3.39Å
577L84.9Confident81.2Confident28 Ų2814.9 Ų14.915%0.1478%0.079CC..SBendtrans-96.3-34176.4-61.1174.3000111E581 L583 Y594 C645 V665 L669L577-E581 HydrophobicContact CB-CB 4Å; L577-E581 PolarHBondContact N-O 3.24Å; L577-L583 HydrophobicContact CD1-CD1 4.08Å; L577-L583 HydrophobicContact CD1-CD2 4.22Å; L577-L583 HydrophobicContact CD1-CG 3.89Å; L577-L583 HydrophobicContact CD2-CD1 4.03Å; L577-L583 HydrophobicContact CD2-CG 4.46Å; L577-L583 HydrophobicContact CG-CD1 4.23Å; L577-L583 HydrophobicContact CG-CG 4.13Å; L577-Y594 HydrophobicContact CD1-CD2 4.18Å; L577-Y594 HydrophobicContact CD1-CE2 4.06Å; L577-C645 HydrophobicContact CD2-CB 4.22Å; L577-V665 HydrophobicContact CD1-CG1 3.66Å; L577-V665 HydrophobicContact CD2-CG1 4.05Å; L577-V665 HydrophobicContact CD2-CG2 3.94Å; L577-V665 HydrophobicContact CG-CG1 4.47Å; L577-L669 HydrophobicContact CD1-CD1 4.29Å
578S80.5Confident82.2Confident9 Ų913.7 Ų13.76%0.0637%0.073CC..SBendtrans-146.8-176174.967.10000109.1Y580 E581S578-Y580 PolarHBondContact O-N 3.31Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 WeakPolarHBondContact OG-CD2 3.39Å; S578-Y580 VanDerWaalsContact OG-CE2 3.3Å; S578-Y580 WeakPolarHBondContact OG-CE2 3.49Å; S578-Y580 PolarHBondContact OG-N 3.05Å; S578-E581 WeakPolarHBondContact CB-OE2 3.48Å; S578-E581 PolarHBondContact N-O 3.4Å; S578-E581 VanDerWaalsContact OG-CB 3.31Å; S578-E581 WeakPolarHBondContact OG-CB 3.38Å; S578-E581 WeakPolarHBondContact OG-CG 3.34Å; S578-E581 PolarHBondContact OG-N 3.41Å; S578-E581 VanDerWaalsContact OG-N 3.1Å; S578-E581 PolarHBondContact OG-OE2 3.46Å
579L81.1Confident82.9Confident12 Ų1211.7 Ų11.76%0.0637%0.066CC..SBendtrans-68.6-3.9175.4-70.7170.3000113.5I389 L464 P476 Y601I389-L579 HydrophobicContact CD1-CD2 3.87Å; L464-L579 HydrophobicContact CD1-CD2 3.37Å; L464-L579 HydrophobicContact CD1-CG 3.78Å; P476-L579 WeakPolarHBondContact CB-O 3.16Å; P476-L579 HydrophobicContact CG-CB 4.45Å; P476-L579 HydrophobicContact CG-CD2 4.12Å; P476-L579 WeakPolarHBondContact CG-O 3.19Å; L579-Y601 HydrophobicContact CB-CE1 4.47Å
580Y85Confident83.3Confident17 Ų1712.4 Ų12.47%0.0677%0.069CC..SBendtrans-139.5-1.8-176.952.6-99.2000113.1E467 S578 M597 K598E467-Y580 PolarHBondContact OE1-OH 3.24Å; E467-Y580 PolarHBondContact OE2-OH 3.41Å; S578-Y580 PolarHBondContact O-N 3.31Å; S578-Y580 VanDerWaalsContact O-N 3.14Å; S578-Y580 WeakPolarHBondContact OG-CD2 3.39Å; S578-Y580 VanDerWaalsContact OG-CE2 3.3Å; S578-Y580 WeakPolarHBondContact OG-CE2 3.49Å; S578-Y580 PolarHBondContact OG-N 3.05Å; Y580-M597 PolarHBondContact O-N 3.25Å; Y580-K598 HydrophobicContact CD1-CG 4.21Å; Y580-K598 HydrophobicContact CD2-CB 3.51Å; Y580-K598 HydrophobicContact CD2-CD 4.18Å; Y580-K598 HydrophobicContact CD2-CG 3.89Å; Y580-K598 HydrophobicContact CE1-CD 4.23Å; Y580-K598 HydrophobicContact CE1-CG 4.22Å; Y580-K598 HydrophobicContact CE2-CB 3.93Å; Y580-K598 HydrophobicContact CE2-CD 3.71Å; Y580-K598 HydrophobicContact CE2-CG 3.95Å; Y580-K598 HydrophobicContact CG-CB 3.9Å; Y580-K598 HydrophobicContact CG-CG 4.06Å; Y580-K598 PolarHBondContact OH-NZ 3.23Å
581E88.6Confident83.8Confident36 Ų3611.7 Ų11.717%0.1687%0.065CC..EExtended strand (participates in β ladder)trans-115128.1175-69.1166123.900110.8L577 S578 Y594 L595 N596L577-E581 HydrophobicContact CB-CB 4Å; L577-E581 PolarHBondContact N-O 3.24Å; S578-E581 WeakPolarHBondContact CB-OE2 3.48Å; S578-E581 PolarHBondContact N-O 3.4Å; S578-E581 VanDerWaalsContact OG-CB 3.31Å; S578-E581 WeakPolarHBondContact OG-CB 3.38Å; S578-E581 WeakPolarHBondContact OG-CG 3.34Å; S578-E581 PolarHBondContact OG-N 3.41Å; S578-E581 VanDerWaalsContact OG-N 3.1Å; S578-E581 PolarHBondContact OG-OE2 3.46Å; E581-Y594 HydrophobicContact CB-CE2 3.96Å; E581-Y594 HydrophobicContact CG-CE2 3.98Å; E581-Y594 PolarHBondContact OE1-OH 2.9Å; E581-L595 WeakPolarHBondContact CA-O 3.24Å; E581-N596 HydrophobicContact CG-CB 4.2Å; E581-N596 PolarHBondContact OE1-ND2 3.25Å
582V90.9Very high84Confident0 Ų011.6 Ų11.60%06%0.064CC..EExtended strand (participates in β ladder)trans-134.1140.1-178.267.30000111.1F574 W576 Y594 L595 M597F574-V582 HydrophobicContact CB-CG2 4.25Å; F574-V582 HydrophobicContact CD1-CG2 3.99Å; W576-V582 HydrophobicContact CD2-CB 3.94Å; W576-V582 HydrophobicContact CD2-CG2 3.91Å; W576-V582 HydrophobicContact CE3-CB 4.02Å; W576-V582 HydrophobicContact CE3-CG2 4.5Å; W576-V582 HydrophobicContact CG-CB 4.4Å; W576-V582 HydrophobicContact CG-CG2 4.06Å; W576-V582 HydrophobicContact CZ2-CB 4.49Å; W576-V582 HydrophobicContact CZ2-CG2 4.38Å; W576-V582 HydrophobicContact CZ3-CB 4.36Å; V582-Y594 WeakPolarHBondContact O-CA 3.48Å; V582-L595 HydrophobicContact CG1-CB 3.87Å; V582-L595 HydrophobicContact CG1-CD2 4.21Å; V582-L595 HydrophobicContact CG1-CG 4.47Å; V582-L595 PolarHBondContact N-O 3.5Å; V582-L595 PolarHBondContact O-N 3.29Å; V582-M597 HydrophobicContact CG1-CE 3.8Å
583L92.4Very high84.3Confident1 Ų110.7 Ų10.71%0.0056%0.058CC..EExtended strand (participates in β ladder)trans-104.8147.2167.6-60.7178.7000109.6F574 T575 L577 L592 G593 Y594 L616 I643 V651F574-L583 CarbonylContact C-O 3.53Å; F574-L583 VanDerWaalsContact CA-O 3.27Å; F574-L583 WeakPolarHBondContact CA-O 3.36Å; T575-L583 HydrophobicContact CG2-CB 3.83Å; T575-L583 HydrophobicContact CG2-CD1 4.15Å; T575-L583 HydrophobicContact CG2-CG 4.43Å; T575-L583 PolarHBondContact N-O 3.3Å; T575-L583 PolarHBondContact O-N 3.19Å; L577-L583 HydrophobicContact CD1-CD1 4.08Å; L577-L583 HydrophobicContact CD1-CD2 4.22Å; L577-L583 HydrophobicContact CD1-CG 3.89Å; L577-L583 HydrophobicContact CD2-CD1 4.03Å; L577-L583 HydrophobicContact CD2-CG 4.46Å; L577-L583 HydrophobicContact CG-CD1 4.23Å; L577-L583 HydrophobicContact CG-CG 4.13Å; L583-L592 HydrophobicContact CB-CD1 4.48Å; L583-G593 VanDerWaalsContact CA-O 3.26Å; L583-G593 WeakPolarHBondContact CA-O 3.31Å; L583-Y594 HydrophobicContact CD2-CD2 3.71Å; L583-Y594 HydrophobicContact CD2-CG 4.14Å; L583-L616 HydrophobicContact CD2-CD1 3.55Å; L583-I643 HydrophobicContact CB-CD1 4Å; L583-V651 HydrophobicContact CD1-CB 4.15Å; L583-V651 HydrophobicContact CD1-CG2 3.74Å
584F90.9Very high84.8Confident0 Ų09.6 Ų9.60%05%0.048CC..EExtended strand (participates in β ladder)trans-151.7155.3179.659.3-95.5000111.4M538 F542 L571 F574 G593 L595 W615M538-F584 HydrophobicContact CE-CE1 3.7Å; M538-F584 HydrophobicContact CE-CE2 4.29Å; M538-F584 HydrophobicContact CE-CZ 3.38Å; F542-F584 AromaticContact CE1-CZ 3.92Å; F542-F584 HydrophobicContact CE1-CZ 3.92Å; F542-F584 HydrophobicContact CE2-CZ 4.13Å; F542-F584 AromaticContact CZ-CE1 3.92Å; F542-F584 HydrophobicContact CZ-CE1 3.92Å; F542-F584 AromaticContact CZ-CZ 3.49Å; F542-F584 HydrophobicContact CZ-CZ 3.49Å; F542-F584 VanDerWaalsContact CZ-CZ 3.49Å; L571-F584 HydrophobicContact CD2-CD2 3.51Å; L571-F584 HydrophobicContact CD2-CE2 3.47Å; L571-F584 VanDerWaalsContact CD2-CE2 3.47Å; L571-F584 HydrophobicContact CD2-CG 4.42Å; L571-F584 HydrophobicContact CD2-CZ 4.36Å; L571-F584 HydrophobicContact CG-CD2 4.44Å; F574-F584 HydrophobicContact CD1-CB 3.5Å; F574-F584 HydrophobicContact CD1-CG 4.45Å; F574-F584 HydrophobicContact CE1-CB 3.65Å; F574-F584 HydrophobicContact CE1-CG 4.27Å; F574-F584 HydrophobicContact CG-CB 4.2Å; F574-F584 HydrophobicContact CZ-CB 4.47Å; F584-G593 PolarHBondContact N-O 3.33Å; F584-G593 PolarHBondContact O-N 3.13Å; F584-L595 HydrophobicContact CE1-CB 4.13Å; F584-W615 AromaticContact CE2-CH2 3.94Å; F584-W615 HydrophobicContact CE2-CH2 3.94Å; F584-W615 AromaticContact CE2-CZ3 3.88Å; F584-W615 HydrophobicContact CE2-CZ3 3.88Å
585I87.3Confident85Confident1 Ų18.1 Ų8.11%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-90.7130.5170.2-68.3173000108.9S572 C573 L592 M640 I643S572-I585 PolarHBondContact N-O 2.95Å; S572-I585 PolarHBondContact O-N 3.36Å; S572-I585 PolarHBondContact OG-O 3.49Å; C573-I585 HydrophobicContact CB-CB 4.41Å; C573-I585 HydrophobicContact CB-CD1 3.86Å; C573-I585 HydrophobicContact CB-CG1 4.31Å; I585-L592 HydrophobicContact CG1-CD1 4.36Å; I585-M640 HydrophobicContact CD1-CB 3.9Å; I585-M640 HydrophobicContact CG1-CB 4.27Å; I585-I643 HydrophobicContact CD1-CG2 3.84Å; I585-I643 HydrophobicContact CG1-CG2 4.05Å
586G81.3Confident85Confident0 Ų09.6 Ų9.60%05%0.05CC..EExtended strand (participates in β ladder)trans-131.4-179.9173.500000111.8D588 G589 L590 L591G586-D588 VanDerWaalsContact C-N 3.34Å; G586-D588 PolarHBondContact O-N 2.89Å; G586-G589 PolarHBondContact O-N 2.86Å; G586-L590 PolarHBondContact O-N 3.43Å; G586-L591 PolarHBondContact N-O 3.28Å; G586-L591 PolarHBondContact O-N 3.08Å
587A74.9Confident85Confident1 Ų19.6 Ų9.61%0.0085%0.049CC..G310 helixtrans53.548179.400000112.7L560 S569 G589 L590 L591L560-A587 HydrophobicContact CD1-CB 4.2Å; L560-A587 HydrophobicContact CD2-CB 3.89Å; S569-A587 VanDerWaalsContact OG-CA 3.24Å; S569-A587 WeakPolarHBondContact OG-CA 3.48Å; S569-A587 PolarHBondContact OG-N 2.77Å; A587-G589 VanDerWaalsContact C-N 3.25Å; A587-G589 PolarHBondContact O-N 3.08Å; A587-L590 HydrophobicContact CB-CB 4.16Å; A587-L590 VanDerWaalsContact O-CB 3.24Å; A587-L590 WeakPolarHBondContact O-CB 3.46Å; A587-L590 VanDerWaalsContact O-CG 3.25Å; A587-L590 WeakPolarHBondContact O-CG 3.34Å; A587-L590 PolarHBondContact O-N 2.95Å; A587-L591 HydrophobicContact CB-CB 4.28Å; A587-L591 HydrophobicContact CB-CD1 3.75Å; A587-L591 HydrophobicContact CB-CG 3.97Å
588D71.7Confident85Confident23 Ų2312 Ų1212%0.1236%0.059CC..G310 helixtrans52.736.1-179.6-58-41.7000115.2C9 N564 S569 G586 R639C9-D588 HydrophobicContact CB-CB 4.1Å; N564-D588 PolarHBondContact ND2-OD2 3.46Å; S569-D588 PolarHBondContact OG-N 2.89Å; G586-D588 VanDerWaalsContact C-N 3.34Å; G586-D588 PolarHBondContact O-N 2.89Å; D588-R639 WeakPolarHBondContact O-CD 3.43Å; D588-R639 PolarHBondContact O-NH1 3.08Å
589G76.9Confident85Confident5 Ų513 Ų135%0.0527%0.066CC..G310 helixtrans89.76.9-179.400000114.5G586 A587 M640G586-G589 PolarHBondContact O-N 2.86Å; A587-G589 VanDerWaalsContact C-N 3.25Å; A587-G589 PolarHBondContact O-N 3.08Å; G589-M640 WeakPolarHBondContact CA-O 3.36Å; G589-M640 WeakPolarHBondContact O-CB 3.4Å; G589-M640 PolarHBondContact O-N 3.01Å
590L77.1Confident84.9Confident16 Ų1614.8 Ų14.88%0.0848%0.075CC..THydrogen-bonded Turntrans-85.6-25.7179.4-64.9173000113.2G586 A587 R618 A619 M640G586-L590 PolarHBondContact O-N 3.43Å; A587-L590 HydrophobicContact CB-CB 4.16Å; A587-L590 VanDerWaalsContact O-CB 3.24Å; A587-L590 WeakPolarHBondContact O-CB 3.46Å; A587-L590 VanDerWaalsContact O-CG 3.25Å; A587-L590 WeakPolarHBondContact O-CG 3.34Å; A587-L590 PolarHBondContact O-N 2.95Å; L590-R618 WeakPolarHBondContact O-CA 3.5Å; L590-A619 PolarHBondContact O-N 2.83Å; L590-M640 WeakPolarHBondContact O-CE 3.39Å
591L83.4Confident84.3Confident1 Ų114.9 Ų14.91%0.0058%0.076CC..EExtended strand (participates in β ladder)trans-132.2142.5-173-58.8170.5000112.9I556 G586 A587 W615 L617 R618I556-L591 HydrophobicContact CD1-CD1 3.8Å; I556-L591 HydrophobicContact CD1-CD2 3.69Å; I556-L591 HydrophobicContact CD1-CG 4.39Å; I556-L591 HydrophobicContact CG1-CD1 4.26Å; I556-L591 HydrophobicContact CG1-CD2 4.29Å; I556-L591 HydrophobicContact CG2-CD1 3.77Å; G586-L591 PolarHBondContact N-O 3.28Å; G586-L591 PolarHBondContact O-N 3.08Å; A587-L591 HydrophobicContact CB-CB 4.28Å; A587-L591 HydrophobicContact CB-CD1 3.75Å; A587-L591 HydrophobicContact CB-CG 3.97Å; L591-W615 HydrophobicContact CB-CD2 3.96Å; L591-W615 HydrophobicContact CB-CE3 3.36Å; L591-W615 HydrophobicContact CB-CH2 4.14Å; L591-W615 HydrophobicContact CB-CZ3 3.46Å; L591-W615 VanDerWaalsContact CB-CZ3 3.46Å; L591-W615 HydrophobicContact CD1-CD2 3.81Å; L591-W615 HydrophobicContact CD1-CE3 4.06Å; L591-W615 HydrophobicContact CD1-CG 4.35Å; L591-W615 HydrophobicContact CD1-CH2 4.19Å; L591-W615 HydrophobicContact CD1-CZ2 3.96Å; L591-W615 HydrophobicContact CD1-CZ3 4.23Å; L591-W615 HydrophobicContact CG-CD2 4.37Å; L591-W615 HydrophobicContact CG-CE3 4.25Å; L591-W615 HydrophobicContact CG-CZ3 4.49Å; L591-L617 WeakPolarHBondContact CA-O 3.47Å; L591-R618 HydrophobicContact CD2-CB 3.9Å; L591-R618 HydrophobicContact CD2-CG 3.9Å
592L89.4Confident83.5Confident0 Ų015.5 Ų15.50%08%0.082CC..EExtended strand (participates in β ladder)trans-102.9115167.7-175.972.5000109.3L583 I585 L616 L617 M640 I643 V653L583-L592 HydrophobicContact CB-CD1 4.48Å; I585-L592 HydrophobicContact CG1-CD1 4.36Å; L592-L616 HydrophobicContact CD2-CB 4.4Å; L592-L616 PolarHBondContact O-N 3.23Å; L592-L617 HydrophobicContact CB-CB 3.9Å; L592-L617 HydrophobicContact CD2-CB 4.41Å; L592-L617 HydrophobicContact CD2-CD1 3.71Å; L592-L617 HydrophobicContact CD2-CG 4.24Å; L592-L617 PolarHBondContact N-O 3.49Å; L592-M640 HydrophobicContact CB-CE 4.48Å; L592-M640 HydrophobicContact CB-SD 3.97Å; L592-I643 HydrophobicContact CD1-CD1 3.68Å; L592-I643 HydrophobicContact CD1-CG2 3.91Å; L592-V653 HydrophobicContact CD2-CG2 4.19Å
593G89.3Confident82.1Confident0 Ų018.2 Ų18.20%011%0.11CC..EExtended strand (participates in β ladder)trans-96150.1178.100000112.4L583 F584 W615L583-G593 VanDerWaalsContact CA-O 3.26Å; L583-G593 WeakPolarHBondContact CA-O 3.31Å; F584-G593 PolarHBondContact N-O 3.33Å; F584-G593 PolarHBondContact O-N 3.13Å; G593-W615 VanDerWaalsContact CA-CE3 3.46Å
594Y91.7Very high80.5Confident16 Ų1623.4 Ų23.46%0.06314%0.137CC..EExtended strand (participates in β ladder)trans-122.2136.5170.3166.3-102.3000109.9F542 L577 E581 V582 L583 N596 G613 R614 L616 L669F542-Y594 VanDerWaalsContact CZ-O 3.29Å; F542-Y594 WeakPolarHBondContact CZ-O 3.2Å; L577-Y594 HydrophobicContact CD1-CD2 4.18Å; L577-Y594 HydrophobicContact CD1-CE2 4.06Å; E581-Y594 HydrophobicContact CB-CE2 3.96Å; E581-Y594 HydrophobicContact CG-CE2 3.98Å; E581-Y594 PolarHBondContact OE1-OH 2.9Å; V582-Y594 WeakPolarHBondContact O-CA 3.48Å; L583-Y594 HydrophobicContact CD2-CD2 3.71Å; L583-Y594 HydrophobicContact CD2-CG 4.14Å; Y594-N596 HydrophobicContact CE1-CB 4Å; Y594-N596 PolarHBondContact OH-ND2 2.82Å; Y594-N596 VanDerWaalsContact OH-ND2 3.09Å; Y594-G613 CarbonylContact O-C 3.55Å; Y594-G613 VanDerWaalsContact O-CA 3.24Å; Y594-G613 WeakPolarHBondContact O-CA 3.46Å; Y594-R614 HydrophobicContact CD1-CG 4.36Å; Y594-R614 PolarHBondContact N-O 3.33Å; Y594-R614 PolarHBondContact O-N 2.94Å; Y594-L616 HydrophobicContact CG-CD1 4.42Å; Y594-L669 HydrophobicContact CD1-CD2 3.88Å; Y594-L669 HydrophobicContact CD2-CD2 3.72Å; Y594-L669 HydrophobicContact CE1-CD2 3.95Å; Y594-L669 HydrophobicContact CE2-CD1 3.99Å; Y594-L669 HydrophobicContact CE2-CD2 3.78Å; Y594-L669 HydrophobicContact CG-CD2 3.76Å
595L91.2Very high78.5Confident0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-133.4128.3178.7-178.569.8000109.8L478 I536 M538 L541 F542 E581 V582 F584 M597 V611L478-L595 HydrophobicContact CD1-CD2 4.22Å; L478-L595 HydrophobicContact CD2-CD2 4.47Å; I536-L595 HydrophobicContact CD1-CD2 4.21Å; M538-L595 HydrophobicContact CE-CD2 4.41Å; M538-L595 HydrophobicContact SD-CD1 4.08Å; M538-L595 HydrophobicContact SD-CD2 4.01Å; L541-L595 HydrophobicContact CD1-CD1 4.18Å; F542-L595 HydrophobicContact CE2-CD1 4.46Å; E581-L595 WeakPolarHBondContact CA-O 3.24Å; V582-L595 HydrophobicContact CG1-CB 3.87Å; V582-L595 HydrophobicContact CG1-CD2 4.21Å; V582-L595 HydrophobicContact CG1-CG 4.47Å; V582-L595 PolarHBondContact N-O 3.5Å; V582-L595 PolarHBondContact O-N 3.29Å; F584-L595 HydrophobicContact CE1-CB 4.13Å; L595-M597 HydrophobicContact CD2-CE 4.07Å; L595-M597 HydrophobicContact CD2-CG 4.04Å; L595-M597 HydrophobicContact CD2-SD 3.53Å; L595-M597 VanDerWaalsContact CD2-SD 3.53Å; L595-M597 HydrophobicContact CG-CE 4.36Å; L595-M597 HydrophobicContact CG-CG 3.89Å; L595-M597 HydrophobicContact CG-SD 4.03Å; L595-V611 HydrophobicContact CD1-CG1 3.69Å
596N89.6Confident76.6Confident35 Ų3539 Ų3919%0.18722%0.221CC..EExtended strand (participates in β ladder)trans-116.2119.6176-172.1-31.1000110.1E581 Y594 K598 N612E581-N596 HydrophobicContact CG-CB 4.2Å; E581-N596 PolarHBondContact OE1-ND2 3.25Å; Y594-N596 HydrophobicContact CE1-CB 4Å; Y594-N596 PolarHBondContact OH-ND2 2.82Å; Y594-N596 VanDerWaalsContact OH-ND2 3.09Å; N596-K598 WeakPolarHBondContact OD1-CB 3.34Å; N596-K598 PolarHBondContact OD1-N 2.78Å; N596-N612 PolarHBondContact N-O 2.95Å; N596-N612 PolarHBondContact O-N 3.24Å; N596-N612 VanDerWaalsContact O-N 3.13Å
597M88Confident74.9Confident0 Ų042.1 Ų42.10%024%0.243CC..  trans-118.925.3-173.6-60.4166-69.800111.6L478 F496 I536 W576 Y580 V582 L595 S599 L600 Y601 V611L478-M597 HydrophobicContact CD1-CE 4.43Å; L478-M597 HydrophobicContact CD1-SD 3.85Å; F496-M597 HydrophobicContact CB-SD 4Å; F496-M597 HydrophobicContact CD2-CB 4.42Å; F496-M597 HydrophobicContact CD2-CE 3.76Å; F496-M597 HydrophobicContact CD2-CG 4.44Å; F496-M597 HydrophobicContact CD2-SD 3.26Å; F496-M597 WeakPolarHBondContact CD2-SD 3.11Å; F496-M597 HydrophobicContact CE2-CB 4.25Å; F496-M597 HydrophobicContact CE2-CE 3.77Å; F496-M597 HydrophobicContact CE2-SD 3.79Å; F496-M597 HydrophobicContact CG-SD 3.76Å; F496-M597 HydrophobicContact CZ-CB 4.3Å; I536-M597 HydrophobicContact CD1-CG 3.97Å; I536-M597 HydrophobicContact CD1-SD 3.6Å; W576-M597 HydrophobicContact CH2-CE 3.94Å; W576-M597 HydrophobicContact CZ3-CE 3.91Å; Y580-M597 PolarHBondContact O-N 3.25Å; V582-M597 HydrophobicContact CG1-CE 3.8Å; L595-M597 HydrophobicContact CD2-CE 4.07Å; L595-M597 HydrophobicContact CD2-CG 4.04Å; L595-M597 HydrophobicContact CD2-SD 3.53Å; L595-M597 VanDerWaalsContact CD2-SD 3.53Å; L595-M597 HydrophobicContact CG-CE 4.36Å; L595-M597 HydrophobicContact CG-CG 3.89Å; L595-M597 HydrophobicContact CG-SD 4.03Å; M597-S599 VanDerWaalsContact C-N 3.27Å; M597-S599 PolarHBondContact O-N 3.28Å; M597-L600 HydrophobicContact CB-CD1 4.45Å; M597-L600 PolarHBondContact O-N 2.97Å; M597-Y601 PolarHBondContact O-N 3.33Å; M597-V611 HydrophobicContact CG-CG1 4.33Å
598K83.3Confident73.5Confident80 Ų8050.6 Ų50.635%0.34829%0.288SS..Hα-helixtrans-55.1-42.3-173.8-167.7167.8-174.4145.20112.6E467 Y580 N596 Y601 T602E467-K598 IonicContact OE1-NZ 3.06Å; E467-K598 IonicContact OE2-NZ 3.51Å; E467-K598 PolarHBondContact OE2-NZ 3.41Å; E467-K598 VanDerWaalsContact OE2-NZ 3.08Å; Y580-K598 HydrophobicContact CD1-CG 4.21Å; Y580-K598 HydrophobicContact CD2-CB 3.51Å; Y580-K598 HydrophobicContact CD2-CD 4.18Å; Y580-K598 HydrophobicContact CD2-CG 3.89Å; Y580-K598 HydrophobicContact CE1-CD 4.23Å; Y580-K598 HydrophobicContact CE1-CG 4.22Å; Y580-K598 HydrophobicContact CE2-CB 3.93Å; Y580-K598 HydrophobicContact CE2-CD 3.71Å; Y580-K598 HydrophobicContact CE2-CG 3.95Å; Y580-K598 HydrophobicContact CG-CB 3.9Å; Y580-K598 HydrophobicContact CG-CG 4.06Å; Y580-K598 PolarHBondContact OH-NZ 3.23Å; N596-K598 WeakPolarHBondContact OD1-CB 3.34Å; N596-K598 PolarHBondContact OD1-N 2.78Å; K598-Y601 PolarHBondContact O-N 2.63Å; K598-T602 HydrophobicContact CG-CG2 4.4Å; K598-T602 PolarHBondContact O-N 3.44Å; K598-T602 PolarHBondContact O-OG1 3.39Å
599S80.6Confident72.6Confident30 Ų3051.2 Ų51.221%0.2130%0.3CS..Hα-helixtrans-63.1-40.5179.848.90000113.7M597 Y601 G603 G609M597-S599 VanDerWaalsContact C-N 3.27Å; M597-S599 PolarHBondContact O-N 3.28Å; S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 2.79Å; S599-G603 PolarHBondContact O-N 3.28Å; S599-G609 WeakPolarHBondContact CB-O 3.37Å; S599-G609 PolarHBondContact OG-O 3.24Å
600L79Confident72.2Confident48 Ų4855.9 Ų55.925%0.25133%0.332SS..Hα-helixtrans-67.1-31.6175.4-61.4178.9000112.1F496 D534 I536 M597 V611F496-L600 HydrophobicContact CB-CD1 4.47Å; F496-L600 HydrophobicContact CD1-CB 3.92Å; F496-L600 HydrophobicContact CD1-CD1 4.13Å; F496-L600 HydrophobicContact CE1-CB 3.95Å; D534-L600 HydrophobicContact CB-CD1 4.01Å; D534-L600 HydrophobicContact CB-CD2 4.23Å; I536-L600 HydrophobicContact CD1-CD1 4.15Å; I536-L600 HydrophobicContact CG1-CD1 4.27Å; M597-L600 HydrophobicContact CB-CD1 4.45Å; M597-L600 PolarHBondContact O-N 2.97Å; L600-V611 HydrophobicContact CD1-CG2 3.56Å; L600-V611 HydrophobicContact CD2-CG2 4.36Å; L600-V611 HydrophobicContact CG-CG2 3.75Å
601Y73.7Confident72.3Confident20 Ų2056.4 Ų56.48%0.07834%0.336CS..Hα-helixtrans-81.5-40.1-175.9-173.1-95.2000113.7V474 P476 F496 T498 L579 M597 K598 S599V474-Y601 PolarHBondContact O-OH 2.73Å; V474-Y601 VanDerWaalsContact O-OH 3.09Å; P476-Y601 HydrophobicContact CB-CE2 4.49Å; F496-Y601 AromaticContact CZ-CD2 3.98Å; F496-Y601 HydrophobicContact CZ-CD2 3.98Å; T498-Y601 HydrophobicContact CG2-CD2 3.9Å; T498-Y601 HydrophobicContact CG2-CE2 4.3Å; L579-Y601 HydrophobicContact CB-CE1 4.47Å; M597-Y601 PolarHBondContact O-N 3.33Å; K598-Y601 PolarHBondContact O-N 2.63Å; S599-Y601 VanDerWaalsContact C-N 3.29Å; S599-Y601 PolarHBondContact O-N 2.79Å
602T70.6Confident72.4Confident49 Ų4959.5 Ų59.530%0.30135%0.352SS..Hα-helixtrans-81-27.4-17755.30000112.9K598 D604K598-T602 HydrophobicContact CG-CG2 4.4Å; K598-T602 PolarHBondContact O-N 3.44Å; K598-T602 PolarHBondContact O-OG1 3.39Å; T602-D604 PolarHBondContact O-N 3.36Å
603G62.8Low72.2Confident57 Ų5759.7 Ų59.759%0.58835%0.354SS*.  trans6614.7-177.600000113.8S599S599-G603 PolarHBondContact O-N 3.28Å
604D57.6Low72Confident109 Ų10961.6 Ų61.658%0.58336%0.361SS*.  trans-86.6108.5174.3-77-30.7000108.8T602 D606T602-D604 PolarHBondContact O-N 3.36Å; D604-D606 PolarHBondContact O-N 2.95Å; D604-D606 VanDerWaalsContact O-N 3.16Å
605D49.5Very low71.7Confident163 Ų16361.8 Ų61.887%0.87236%0.362SS*.THydrogen-bonded Turntrans-63.3-12175.2-74.5-29.7000113.1S607D605-S607 VanDerWaalsContact C-N 3.34Å; D605-S607 PolarHBondContact O-N 3.22Å
606D46.4Very low71.5Confident166 Ų16662 Ų6289%0.88836%0.363SS*.THydrogen-bonded Turntrans-84.65.3-171.5-78.7-23000115D604D604-D606 PolarHBondContact O-N 2.95Å; D604-D606 VanDerWaalsContact O-N 3.16Å
607S46.1Very low71.4Confident66 Ų6660.3 Ų60.346%0.46235%0.354SS..SBendtrans-117.3126.4171.866.90000110.6D605 G609D605-S607 VanDerWaalsContact C-N 3.34Å; D605-S607 PolarHBondContact O-N 3.22Å; S607-G609 PolarHBondContact O-N 3.35Å
608D45.3Very low71.1Confident178 Ų17861.3 Ų61.395%0.95236%0.358SS*.  trans-57.616.4172.8-84.4-30.3000114.3S610D608-S610 PolarHBondContact O-N 3.4Å
609G52.8Low70.9Confident37 Ų3757.6 Ų57.638%0.38134%0.341SS..  trans-7585.5-175.600000111.9S599 S607S599-G609 WeakPolarHBondContact CB-O 3.37Å; S599-G609 PolarHBondContact OG-O 3.24Å; S607-G609 PolarHBondContact O-N 3.35Å
610S67.9Low70.2Confident102 Ų10256.7 Ų56.771%0.71334%0.335SS*.  trans-56.9147.8156.154.10000110.2D608 N612D608-S610 PolarHBondContact O-N 3.4Å; S610-N612 PolarHBondContact O-N 2.85Å
611V80.6Confident69.1Low28 Ų2855.2 Ų55.217%0.1733%0.329CS..  trans-51.5131.1167.5176.90000107.6I536 L541 L595 M597 L600I536-V611 HydrophobicContact CG2-CG1 4.4Å; L541-V611 HydrophobicContact CD1-CB 4.47Å; L541-V611 HydrophobicContact CD1-CG1 3.77Å; L541-V611 HydrophobicContact CD2-CB 4.38Å; L541-V611 HydrophobicContact CD2-CG1 4.26Å; L541-V611 WeakPolarHBondContact CD2-O 3.15Å; L595-V611 HydrophobicContact CD1-CG1 3.69Å; M597-V611 HydrophobicContact CG-CG1 4.33Å; L600-V611 HydrophobicContact CD1-CG2 3.56Å; L600-V611 HydrophobicContact CD2-CG2 4.36Å; L600-V611 HydrophobicContact CG-CG2 3.75Å
612N85.1Confident67.7Low66 Ų6657.8 Ų57.835%0.35335%0.35SS..EExtended strand (participates in β ladder)trans-118130.3-177.3-172.21.7000109.6N596 S610N596-N612 PolarHBondContact N-O 2.95Å; N596-N612 PolarHBondContact O-N 3.24Å; N596-N612 VanDerWaalsContact O-N 3.13Å; S610-N612 PolarHBondContact O-N 2.85Å
613G85.1Confident66.2Low3 Ų358.8 Ų58.83%0.03136%0.363CS..EExtended strand (participates in β ladder)trans-136.7138.8179.500000111.3Y594Y594-G613 CarbonylContact O-C 3.55Å; Y594-G613 VanDerWaalsContact O-CA 3.24Å; Y594-G613 WeakPolarHBondContact O-CA 3.46Å
614R84.6Confident64.8Low41 Ų4164.1 Ų64.116%0.15537%0.373CS..EExtended strand (participates in β ladder)trans-158.6158.9175.268.3-177.3-163.3-170.99.9113.6F542 Y594 L616 I668 L669 N671 N672F542-R614 VanDerWaalsContact CE1-N 3.31Å; F542-R614 WeakPolarHBondContact CE1-O 3.37Å; Y594-R614 HydrophobicContact CD1-CG 4.36Å; Y594-R614 PolarHBondContact N-O 3.33Å; Y594-R614 PolarHBondContact O-N 2.94Å; R614-L616 HydrophobicContact CG-CD2 4.02Å; R614-I668 PolarHBondContact NH2-O 3.32Å; R614-L669 PolarHBondContact NH2-O 2.98Å; R614-N671 PolarHBondContact NH2-O 3.45Å; R614-N672 PolarHBondContact NH1-OD1 3.19Å
615W85.8Confident63.6Low19 Ų1967.8 Ų67.87%0.07239%0.386CS..EExtended strand (participates in β ladder)trans-81.8131.6173.4-60.9113.6000111.5F491 F542 F584 L591 G593 C674F491-W615 HydrophobicContact CE1-CH2 4.34Å; F491-W615 AromaticContact CE2-CH2 3.87Å; F491-W615 HydrophobicContact CE2-CH2 3.87Å; F491-W615 AromaticContact CE2-CZ2 3.53Å; F491-W615 HydrophobicContact CE2-CZ2 3.53Å; F491-W615 AromaticContact CZ-CH2 3.54Å; F491-W615 HydrophobicContact CZ-CH2 3.54Å; F491-W615 AromaticContact CZ-CZ2 3.68Å; F491-W615 HydrophobicContact CZ-CZ2 3.68Å; F542-W615 HydrophobicContact CB-CZ2 4.38Å; F542-W615 AromaticContact CD1-CD1 3.95Å; F542-W615 AromaticContact CD1-CD2 3.75Å; F542-W615 HydrophobicContact CD1-CD2 3.75Å; F542-W615 AromaticContact CD1-CE2 3.46Å; F542-W615 VanDerWaalsContact CD1-CE2 3.46Å; F542-W615 HydrophobicContact CD1-CE3 4.33Å; F542-W615 HydrophobicContact CD1-CG 4.07Å; F542-W615 HydrophobicContact CD1-CH2 4.41Å; F542-W615 AromaticContact CD1-CZ2 3.81Å; F542-W615 HydrophobicContact CD1-CZ2 3.81Å; F542-W615 AromaticContact CD1-NE1 3.59Å; F542-W615 HydrophobicContact CE1-CD2 4.15Å; F542-W615 HydrophobicContact CE1-CE3 4.31Å; F542-W615 HydrophobicContact CE1-CZ2 4.42Å; F542-W615 HydrophobicContact CG-CZ2 4.29Å; F584-W615 AromaticContact CE2-CH2 3.94Å; F584-W615 HydrophobicContact CE2-CH2 3.94Å; F584-W615 AromaticContact CE2-CZ3 3.88Å; F584-W615 HydrophobicContact CE2-CZ3 3.88Å; L591-W615 HydrophobicContact CB-CD2 3.96Å; L591-W615 HydrophobicContact CB-CE3 3.36Å; L591-W615 HydrophobicContact CB-CH2 4.14Å; L591-W615 HydrophobicContact CB-CZ3 3.46Å; L591-W615 VanDerWaalsContact CB-CZ3 3.46Å; L591-W615 HydrophobicContact CD1-CD2 3.81Å; L591-W615 HydrophobicContact CD1-CE3 4.06Å; L591-W615 HydrophobicContact CD1-CG 4.35Å; L591-W615 HydrophobicContact CD1-CH2 4.19Å; L591-W615 HydrophobicContact CD1-CZ2 3.96Å; L591-W615 HydrophobicContact CD1-CZ3 4.23Å; L591-W615 HydrophobicContact CG-CD2 4.37Å; L591-W615 HydrophobicContact CG-CE3 4.25Å; L591-W615 HydrophobicContact CG-CZ3 4.49Å; G593-W615 VanDerWaalsContact CA-CE3 3.46Å; W615-C674 HydrophobicContact CB-CB 4.5Å
616L87.1Confident62.7Low4 Ų464.9 Ų64.92%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-102.6-45.9-176.8-63.4-169000112.9L583 L592 Y594 R614 I668 L669 Y675L583-L616 HydrophobicContact CD2-CD1 3.55Å; L592-L616 HydrophobicContact CD2-CB 4.4Å; L592-L616 PolarHBondContact O-N 3.23Å; Y594-L616 HydrophobicContact CG-CD1 4.42Å; R614-L616 HydrophobicContact CG-CD2 4.02Å; L616-I668 HydrophobicContact CB-CG2 3.71Å; L616-I668 HydrophobicContact CD1-CG2 3.74Å; L616-I668 HydrophobicContact CD2-CG2 3.94Å; L616-I668 HydrophobicContact CG-CG2 4Å; L616-L669 HydrophobicContact CD1-CD2 3.96Å; L616-L669 HydrophobicContact CD2-CD2 4.06Å; L616-Y675 PolarHBondContact O-N 2.71Å
617L87Confident62.1Low0 Ų066.6 Ų66.60%037%0.366CS..EExtended strand (participates in β ladder)trans-130.2146-178.5-65.9166.2000110.7L591 L592 M640 V653 Y663 I668 Y675 I677L591-L617 WeakPolarHBondContact CA-O 3.47Å; L592-L617 HydrophobicContact CB-CB 3.9Å; L592-L617 HydrophobicContact CD2-CB 4.41Å; L592-L617 HydrophobicContact CD2-CD1 3.71Å; L592-L617 HydrophobicContact CD2-CG 4.24Å; L592-L617 PolarHBondContact N-O 3.49Å; L617-M640 HydrophobicContact CB-SD 4.38Å; L617-V653 HydrophobicContact CD1-CG2 3.93Å; L617-Y663 HydrophobicContact CD1-CD2 3.89Å; L617-Y663 HydrophobicContact CD1-CE2 3.61Å; L617-Y663 HydrophobicContact CD2-CE1 4.21Å; L617-Y663 HydrophobicContact CD2-CE2 4.18Å; L617-I668 HydrophobicContact CD1-CD1 4.19Å; L617-I668 HydrophobicContact CD2-CD1 4.44Å; L617-I668 HydrophobicContact CG-CD1 4.4Å; L617-Y675 CarbonylContact C-O 3.45Å; L617-Y675 VanDerWaalsContact CA-O 3.29Å; L617-Y675 WeakPolarHBondContact CA-O 3.37Å; L617-I677 HydrophobicContact CB-CD1 4.3Å; L617-I677 HydrophobicContact CB-CG1 4.49Å; L617-I677 HydrophobicContact CD1-CD1 4.26Å; L617-I677 HydrophobicContact CD2-CD1 4.48Å; L617-I677 HydrophobicContact CD2-CG1 4.19Å
618R82.5Confident61.7Low22 Ų2267.1 Ų67.18%0.08337%0.366CS..EExtended strand (participates in β ladder)trans-124.7130.9171.5-179.7176.2178.8-137.31.1109.8L555 E559 L590 L591 Y675 E676 I677L555-R618 VanDerWaalsContact CD2-CZ 3.47Å; E559-R618 IonicContact OE2-CZ 3.85Å; E559-R618 IonicContact OE2-NH2 2.68Å; E559-R618 PolarHBondContact OE2-NH2 3.47Å; L590-R618 WeakPolarHBondContact O-CA 3.5Å; L591-R618 HydrophobicContact CD2-CB 3.9Å; L591-R618 HydrophobicContact CD2-CG 3.9Å; R618-Y675 PolarHBondContact N-O 2.9Å; R618-E676 IonicContact NH1-OE1 3.95Å; R618-E676 CarbonylContact O-C 3.54Å; R618-E676 WeakPolarHBondContact O-CA 3.38Å; R618-I677 PolarHBondContact O-N 3.31Å
619A78.6Confident61.3Low1 Ų162 Ų621%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-78.6122.5171.500000109.6L590 S621 A638 M640 M655L590-A619 PolarHBondContact O-N 2.83Å; A619-S621 PolarHBondContact O-N 3.24Å; A619-A638 WeakPolarHBondContact CB-O 3.38Å; A619-M640 HydrophobicContact CB-CE 4.04Å; A619-M655 HydrophobicContact CB-CE 3.73Å
620S66.7Low60.5Low12 Ų1266.4 Ų66.48%0.08435%0.352CS..PPolyproline II helixtrans-70.5119.3177.372.10000109.8E676 I677 L678S620-E676 WeakPolarHBondContact CA-OE1 3.47Å; S620-E676 WeakPolarHBondContact CB-OE1 3.43Å; S620-I677 WeakPolarHBondContact CB-O 3.47Å; S620-I677 PolarHBondContact N-O 3.04Å; S620-I677 VanDerWaalsContact N-O 3.09Å; S620-I677 PolarHBondContact OG-O 3.22Å; S620-L678 WeakPolarHBondContact OG-CA 3.37Å
621S55.6Low59.1Low16 Ų1665.4 Ų65.411%0.11234%0.337CS..PPolyproline II helixtrans-81.3118.9160.1141.20000106A619 A623 F637A619-S621 PolarHBondContact O-N 3.24Å; S621-A623 PolarHBondContact O-N 3.05Å; S621-F637 WeakPolarHBondContact OG-CE1 3.45Å
622S44.3Very low57.1Low75 Ų7569.3 Ų69.352%0.52435%0.348SS..  trans-64.183171.948.90000109.7
623A37.9Very low54.8Low70 Ų7068.1 Ų68.158%0.57934%0.342SS*.  trans-119.981.917800000107.8S621S621-A623 PolarHBondContact O-N 3.05Å
624Q33.3Very low52.5Low168 Ų16873 Ų7379%0.78537%0.367SS*.SBendtrans-71.5139.8133.5-81.3-176.1-21.900106.5F626Q624-F626 WeakPolarHBondContact O-CD2 3.4Å; Q624-F626 WeakPolarHBondContact O-CE2 3.33Å; Q624-F626 WeakPolarHBondContact O-CG 3.49Å; Q624-F626 PolarHBondContact O-N 3.37Å
625E33.1Very low50.4Low186 Ų18672.5 Ų72.587%0.86937%0.37SS*.  trans-48.897.6-178.8-66.4176141.600112.1
626F31.2Very low48.6Very low103 Ų10380.2 Ų80.245%0.45240%0.404SS..  trans-88.4117.4175.7-71.4-62.2000110Q624 T628 E631Q624-F626 WeakPolarHBondContact O-CD2 3.4Å; Q624-F626 WeakPolarHBondContact O-CE2 3.33Å; Q624-F626 WeakPolarHBondContact O-CG 3.49Å; Q624-F626 PolarHBondContact O-N 3.37Å; F626-T628 VanDerWaalsContact C-N 3.29Å; F626-T628 PolarHBondContact O-N 3.18Å; F626-E631 HydrophobicContact CB-CB 3.72Å; F626-E631 WeakPolarHBondContact CB-OE2 3.41Å; F626-E631 HydrophobicContact CD1-CB 3.87Å; F626-E631 HydrophobicContact CD1-CG 3.95Å; F626-E631 WeakPolarHBondContact CD1-OE1 3.45Å; F626-E631 WeakPolarHBondContact CD1-OE2 3.26Å; F626-E631 HydrophobicContact CD2-CB 4.35Å; F626-E631 HydrophobicContact CE1-CG 4.46Å; F626-E631 HydrophobicContact CG-CB 3.72Å; F626-E631 HydrophobicContact CG-CG 4.33Å
627K34Very low47Very low202 Ų20283 Ų8388%0.87842%0.416SS*.  trans-81.31.1-174.7-86.1177.2175.3172.10113.8
628T36.8Very low45.9Very low76 Ų7683.2 Ų83.247%0.46642%0.418SS..SBendtrans-136.5145.5-175.165.40000113.9F626 L630 E631F626-T628 VanDerWaalsContact C-N 3.29Å; F626-T628 PolarHBondContact O-N 3.18Å; T628-L630 PolarHBondContact O-N 3.31Å; T628-E631 PolarHBondContact O-N 2.91Å; T628-E631 PolarHBondContact OG1-OE2 3.04Å; T628-E631 VanDerWaalsContact OG1-OE2 3.13Å
629L37.9Very low45.6Very low71 Ų7183.7 Ų83.737%0.37242%0.42SS..THydrogen-bonded Turntrans-59.3-24.5-179-97129.4000114.4E15E15-L629 HydrophobicContact CG-CD1 3.6Å; E15-L629 WeakPolarHBondContact OE1-CD1 3.39Å
630L36.4Very low45.8Very low129 Ų12983.8 Ų83.868%0.67542%0.42SS*.THydrogen-bonded Turntrans-71.3-29.2179.6-90.2129.8000113.6T628T628-L630 PolarHBondContact O-N 3.31Å
631E38.2Very low46.5Very low81 Ų8183.4 Ų83.438%0.37942%0.417SS..THydrogen-bonded Turntrans-82.4-20.2-177.8-71.2168142.700112.4F626 T628F626-E631 HydrophobicContact CB-CB 3.72Å; F626-E631 WeakPolarHBondContact CB-OE2 3.41Å; F626-E631 HydrophobicContact CD1-CB 3.87Å; F626-E631 HydrophobicContact CD1-CG 3.95Å; F626-E631 WeakPolarHBondContact CD1-OE1 3.45Å; F626-E631 WeakPolarHBondContact CD1-OE2 3.26Å; F626-E631 HydrophobicContact CD2-CB 4.35Å; F626-E631 HydrophobicContact CE1-CG 4.46Å; F626-E631 HydrophobicContact CG-CB 3.72Å; F626-E631 HydrophobicContact CG-CG 4.33Å; T628-E631 PolarHBondContact O-N 2.91Å; T628-E631 PolarHBondContact OG1-OE2 3.04Å; T628-E631 VanDerWaalsContact OG1-OE2 3.13Å
632R37.8Very low48Very low110 Ų11083 Ų8342%0.41541%0.414SS..THydrogen-bonded Turntrans-72.2-25179.1-108.1-176.8179.3-178-0.7114.6
633N37.8Very low50.2Low41 Ų4180 Ų8022%0.21939%0.392CS..THydrogen-bonded Turntrans-96.2-17-171.2-71.8-24.3000114L12 V47L12-N633 WeakPolarHBondContact CD1-OD1 3.12Å; V47-N633 WeakPolarHBondContact CG2-ND2 3.3Å
634N36.1Very low52.7Low106 Ų10677 Ų7757%0.56737%0.367SS*.THydrogen-bonded Turntrans-94.3-17.3-175.8-78.1-12.7000114.5
635S41Very low55.3Low31 Ų3169.4 Ų69.422%0.21733%0.332CS..SBendtrans-92.798.6167.654.60000109.2F637S635-F637 VanDerWaalsContact C-N 3.3Å; S635-F637 PolarHBondContact O-N 2.9Å
636K48.4Very low57.8Low181 Ų18160.9 Ų60.979%0.78729%0.293SS*.  trans-55.898.3166.3-81.1-178.6177.71770107.7A638K636-A638 PolarHBondContact O-N 3.42Å
637F52.8Low60.1Low62 Ų6257.4 Ų57.427%0.27228%0.279SS..  trans-49.2116.3177.7-70.1-81.8000108.9S621 S635 R639 S656S621-F637 WeakPolarHBondContact OG-CE1 3.45Å; S635-F637 VanDerWaalsContact C-N 3.3Å; S635-F637 PolarHBondContact O-N 2.9Å; F637-R639 PolarHBondContact O-N 3.45Å; F637-R639 VanDerWaalsContact O-N 3.14Å; F637-S656 PolarHBondContact O-OG 2.92Å
638A64Low62.3Low4 Ų449.4 Ų49.43%0.03325%0.246CC..  trans-65.8114.5174.500000107.5A619 K636 M655 Q679A619-A638 WeakPolarHBondContact CB-O 3.38Å; K636-A638 PolarHBondContact O-N 3.42Å; A638-M655 HydrophobicContact CB-CE 3.65Å; A638-Q679 HydrophobicContact CB-CB 4.42Å; A638-Q679 HydrophobicContact CB-CG 4.21Å
639R75Confident64.5Low33 Ų3347.5 Ų47.513%0.12524%0.241CC..  trans-116.4140.5177.2-68.3178.1-174.9-13012.2108.7C9 D588 F637 M655 S656C9-R639 PolarHBondContact O-NH1 3.41Å; D588-R639 WeakPolarHBondContact O-CD 3.43Å; D588-R639 PolarHBondContact O-NH1 3.08Å; F637-R639 PolarHBondContact O-N 3.45Å; F637-R639 VanDerWaalsContact O-N 3.14Å; R639-M655 CarbonylContact O-C 3.52Å; R639-M655 VanDerWaalsContact O-CA 3.26Å; R639-M655 WeakPolarHBondContact O-CA 3.36Å; R639-S656 PolarHBondContact N-OG 3.25Å; R639-S656 PolarHBondContact O-N 3.37Å
640M84.5Confident66.9Low2 Ų244.1 Ų44.11%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-65.8134.4164.4-65.8178.1-96.700108.4I585 G589 L590 L592 L617 A619 V653 Q654 M655 I677I585-M640 HydrophobicContact CD1-CB 3.9Å; I585-M640 HydrophobicContact CG1-CB 4.27Å; G589-M640 WeakPolarHBondContact CA-O 3.36Å; G589-M640 WeakPolarHBondContact O-CB 3.4Å; G589-M640 PolarHBondContact O-N 3.01Å; L590-M640 WeakPolarHBondContact O-CE 3.39Å; L592-M640 HydrophobicContact CB-CE 4.48Å; L592-M640 HydrophobicContact CB-SD 3.97Å; L617-M640 HydrophobicContact CB-SD 4.38Å; A619-M640 HydrophobicContact CB-CE 4.04Å; M640-V653 HydrophobicContact CB-CG1 4.22Å; M640-V653 HydrophobicContact CG-CG1 3.59Å; M640-V653 HydrophobicContact SD-CG1 3.64Å; M640-Q654 CarbonylContact C-O 3.6Å; M640-Q654 WeakPolarHBondContact CA-O 3.42Å; M640-M655 HydrophobicContact CG-CE 4.32Å; M640-M655 HydrophobicContact CG-SD 3.7Å; M640-I677 HydrophobicContact SD-CD1 4.29Å
641T80.6Confident69.5Low4 Ų438.1 Ų38.13%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-127.1-38.8-171.149.40000112.4C573 Q654 Y703C573-T641 PolarHBondContact SG-O 3.35Å; T641-Q654 PolarHBondContact N-O 3.5Å; T641-Q654 PolarHBondContact OG1-O 3.47Å; T641-Y703 VanDerWaalsContact CB-CE2 3.4Å; T641-Y703 HydrophobicContact CG2-CD2 4.36Å; T641-Y703 HydrophobicContact CG2-CE2 3.89Å; T641-Y703 VanDerWaalsContact OG1-CE2 3.25Å; T641-Y703 WeakPolarHBondContact OG1-CE2 3.34Å
642T86.7Confident72.1Confident8 Ų834.3 Ų34.35%0.04917%0.174CC..EExtended strand (participates in β ladder)trans-144.1142.9-176.9-35.90000109.1Q654 C704 L707T642-Q654 WeakPolarHBondContact O-CB 3.21Å; T642-Q654 PolarHBondContact O-N 3.42Å; T642-C704 PolarHBondContact OG1-O 3.27Å; T642-C704 VanDerWaalsContact OG1-O 3.09Å; T642-L707 HydrophobicContact CG2-CB 4.27Å; T642-L707 HydrophobicContact CG2-CG 4.06Å
643I90.4Very high74.6Confident11 Ų1129 Ų296%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-130.9151.8172.763.2-178.9000111.2C573 T575 L583 I585 L592 C652 V653C573-I643 WeakPolarHBondContact O-CD1 3.49Å; C573-I643 WeakPolarHBondContact O-CG1 3.47Å; T575-I643 HydrophobicContact CG2-CB 4.44Å; T575-I643 HydrophobicContact CG2-CD1 3.68Å; T575-I643 HydrophobicContact CG2-CG1 3.85Å; L583-I643 HydrophobicContact CB-CD1 4Å; I585-I643 HydrophobicContact CD1-CG2 3.84Å; I585-I643 HydrophobicContact CG1-CG2 4.05Å; L592-I643 HydrophobicContact CD1-CD1 3.68Å; L592-I643 HydrophobicContact CD1-CG2 3.91Å; I643-C652 WeakPolarHBondContact CA-O 3.12Å; I643-V653 HydrophobicContact CG2-CB 4.39Å; I643-V653 HydrophobicContact CG2-CG1 4.23Å; I643-V653 HydrophobicContact CG2-CG2 4.07Å
644C90Very high77.1Confident9 Ų927.1 Ų27.16%0.06114%0.144CC..EExtended strand (participates in β ladder)trans-148.4152.7166.969.40000111C652 L707C644-C652 PolarHBondContact N-O 2.98Å; C644-C652 VanDerWaalsContact N-O 3.07Å; C644-C652 PolarHBondContact O-N 2.83Å; C644-L707 HydrophobicContact CB-CB 3.97Å
645C88.5Confident79.5Confident8 Ų822.2 Ų22.25%0.05412%0.118CC..EExtended strand (participates in β ladder)trans-95.4154.1170.660.90000111.9T575 W576 L577 R650T575-C645 PolarHBondContact OG1-N 3.41Å; T575-C645 PolarHBondContact OG1-SG 3.29Å; W576-C645 PolarHBondContact O-SG 3.16Å; W576-C645 VanDerWaalsContact O-SG 3.39Å; L577-C645 HydrophobicContact CD2-CB 4.22Å; C645-R650 CarbonylContact C-O 3.48Å; C645-R650 WeakPolarHBondContact CA-O 3.42Å
646T85.4Confident81.2Confident6 Ų623 Ų234%0.03712%0.123CC..  trans-103156171.766.70000110.3D648 G649 R650 C709 L744T646-D648 WeakPolarHBondContact CB-OD1 3.27Å; T646-D648 PolarHBondContact O-N 3.17Å; T646-D648 VanDerWaalsContact O-N 3.11Å; T646-D648 PolarHBondContact OG1-OD1 2.93Å; T646-G649 PolarHBondContact O-N 3.38Å; T646-G649 VanDerWaalsContact O-N 3.08Å; T646-R650 HydrophobicContact CG2-CB 4.05Å; T646-R650 PolarHBondContact N-O 3.01Å; T646-R650 WeakPolarHBondContact OG1-CA 3.43Å; T646-R650 VanDerWaalsContact OG1-CB 3.24Å; T646-R650 WeakPolarHBondContact OG1-CB 3.23Å; T646-R650 PolarHBondContact OG1-N 3.32Å; T646-R650 PolarHBondContact OG1-O 3.39Å; T646-C709 HydrophobicContact CG2-CB 3.97Å; T646-C709 VanDerWaalsContact CG2-SG 3.59Å; T646-L744 HydrophobicContact CG2-CD1 3.95Å
647I80.3Confident82.4Confident31 Ų3117.2 Ų17.216%0.15910%0.101CC..THydrogen-bonded Turntrans-60.8-21.9178.6-161.1176000113.6W463 P711 Y724 L727W463-I647 HydrophobicContact CD2-CB 4.18Å; W463-I647 HydrophobicContact CD2-CD1 4.36Å; W463-I647 HydrophobicContact CD2-CG1 4.27Å; W463-I647 HydrophobicContact CE3-CB 4.2Å; W463-I647 HydrophobicContact CE3-CD1 3.55Å; W463-I647 HydrophobicContact CE3-CG1 3.81Å; W463-I647 HydrophobicContact CG-CB 4.31Å; W463-I647 HydrophobicContact CZ3-CD1 3.68Å; W463-I647 HydrophobicContact CZ3-CG1 4.43Å; I647-P711 HydrophobicContact CD1-CG 4.38Å; I647-P711 HydrophobicContact CG2-CB 4.42Å; I647-Y724 HydrophobicContact CG2-CD1 3.7Å; I647-Y724 HydrophobicContact CG2-CE1 3.97Å; I647-Y724 HydrophobicContact CG2-CG 4.34Å; I647-L727 HydrophobicContact CG2-CD1 4.33Å; I647-L727 HydrophobicContact CG2-CD2 3.67Å
648D80.9Confident83.7Confident34 Ų3414.2 Ų14.218%0.1829%0.088CC..THydrogen-bonded Turntrans-95.611.5179.468.4-17.9000114T646 R650 Y724 L727 I747T646-D648 WeakPolarHBondContact CB-OD1 3.27Å; T646-D648 PolarHBondContact O-N 3.17Å; T646-D648 VanDerWaalsContact O-N 3.11Å; T646-D648 PolarHBondContact OG1-OD1 2.93Å; D648-R650 IonicContact OD1-CZ 3.58Å; D648-R650 IonicContact OD1-NE 2.96Å; D648-R650 PolarHBondContact OD1-NE 3.01Å; D648-R650 IonicContact OD1-NH2 3.19Å; D648-R650 IonicContact OD2-CZ 2.67Å; D648-R650 VanDerWaalsContact OD2-CZ 3.22Å; D648-R650 IonicContact OD2-NE 3.83Å; D648-R650 PolarHBondContact OD2-NE 3.22Å; D648-R650 IonicContact OD2-NH2 3.96Å; D648-R650 PolarHBondContact OD2-NH2 3.01Å; D648-Y724 HydrophobicContact CB-CE1 3.72Å; D648-Y724 VanDerWaalsContact CB-OH 3.28Å; D648-Y724 WeakPolarHBondContact CB-OH 3.42Å; D648-Y724 PolarHBondContact OD2-OH 2.93Å; D648-L727 HydrophobicContact CB-CD1 4.24Å; D648-L727 VanDerWaalsContact CG-CD1 3.48Å; D648-L727 WeakPolarHBondContact OD1-CD1 3.47Å; D648-L727 WeakPolarHBondContact OD2-CD1 3.17Å; D648-I747 HydrophobicContact CB-CD1 4.09Å; D648-I747 WeakPolarHBondContact OD2-CD1 3.4Å
649G82.8Confident84.8Confident36 Ų3614.5 Ų14.537%0.3719%0.089SC..SBendtrans80.437.6173.800000114.1T646 V665T646-G649 PolarHBondContact O-N 3.38Å; T646-G649 VanDerWaalsContact O-N 3.08Å; G649-V665 VanDerWaalsContact O-CB 3.24Å; G649-V665 WeakPolarHBondContact O-CB 3.38Å; G649-V665 VanDerWaalsContact O-CG2 3.32Å; G649-V665 WeakPolarHBondContact O-CG2 3.37Å; G649-V665 PolarHBondContact O-N 3.17Å
650R87.4Confident85.5Confident0 Ų013 Ų130%08%0.083CC..EExtended strand (participates in β ladder)trans-108.1151167.4-57.3177.7-79.7-176.7-12.7110.4C645 T646 D648 I662 Y663 P745 I747C645-R650 CarbonylContact C-O 3.48Å; C645-R650 WeakPolarHBondContact CA-O 3.42Å; T646-R650 HydrophobicContact CG2-CB 4.05Å; T646-R650 PolarHBondContact N-O 3.01Å; T646-R650 WeakPolarHBondContact OG1-CA 3.43Å; T646-R650 VanDerWaalsContact OG1-CB 3.24Å; T646-R650 WeakPolarHBondContact OG1-CB 3.23Å; T646-R650 PolarHBondContact OG1-N 3.32Å; T646-R650 PolarHBondContact OG1-O 3.39Å; D648-R650 IonicContact OD1-CZ 3.58Å; D648-R650 IonicContact OD1-NE 2.96Å; D648-R650 PolarHBondContact OD1-NE 3.01Å; D648-R650 IonicContact OD1-NH2 3.19Å; D648-R650 IonicContact OD2-CZ 2.67Å; D648-R650 VanDerWaalsContact OD2-CZ 3.22Å; D648-R650 IonicContact OD2-NE 3.83Å; D648-R650 PolarHBondContact OD2-NE 3.22Å; D648-R650 IonicContact OD2-NH2 3.96Å; D648-R650 PolarHBondContact OD2-NH2 3.01Å; R650-I662 HydrophobicContact CB-CG2 4Å; R650-Y663 CarbonylContact C-O 3.55Å; R650-Y663 WeakPolarHBondContact CA-O 3.36Å; R650-Y663 WeakPolarHBondContact CB-O 3.3Å; R650-P745 PolarHBondContact NH1-O 3.44Å; R650-P745 PolarHBondContact NH2-O 3.19Å; R650-I747 HydrophobicContact CG-CD1 4.23Å
651V90.7Very high85.8Confident3 Ų313.5 Ų13.52%0.0189%0.085CC..EExtended strand (participates in β ladder)trans-110.7129.4171.462.70000108.9L583 V653 I662 Y663 V665 I668L583-V651 HydrophobicContact CD1-CB 4.15Å; L583-V651 HydrophobicContact CD1-CG2 3.74Å; V651-V653 HydrophobicContact CG2-CG2 4.09Å; V651-I662 WeakPolarHBondContact O-CA 3.37Å; V651-Y663 PolarHBondContact N-O 3.37Å; V651-Y663 PolarHBondContact O-N 3.35Å; V651-V665 HydrophobicContact CB-CG2 3.9Å; V651-V665 HydrophobicContact CG1-CG2 4.16Å; V651-I668 HydrophobicContact CG1-CD1 4.22Å
652C92.3Very high86.2Confident0 Ų013.3 Ų13.30%08%0.084CC..EExtended strand (participates in β ladder)trans-100.9127.1173.3-54.70000108.3I643 C644 V660 I662 L729I643-C652 WeakPolarHBondContact CA-O 3.12Å; C644-C652 PolarHBondContact N-O 2.98Å; C644-C652 VanDerWaalsContact N-O 3.07Å; C644-C652 PolarHBondContact O-N 2.83Å; C652-V660 HydrophobicContact CB-CG1 3.78Å; C652-I662 HydrophobicContact CB-CG1 4.26Å; C652-L729 HydrophobicContact CB-CD1 4.36Å
653V91.9Very high86.3Confident0 Ų013 Ų130%08%0.082CC..EExtended strand (participates in β ladder)trans-122.6113.4-177.4-177.90000109.3L592 L617 M640 I643 V651 V660 Y661 I677L592-V653 HydrophobicContact CD2-CG2 4.19Å; L617-V653 HydrophobicContact CD1-CG2 3.93Å; M640-V653 HydrophobicContact CB-CG1 4.22Å; M640-V653 HydrophobicContact CG-CG1 3.59Å; M640-V653 HydrophobicContact SD-CG1 3.64Å; I643-V653 HydrophobicContact CG2-CB 4.39Å; I643-V653 HydrophobicContact CG2-CG1 4.23Å; I643-V653 HydrophobicContact CG2-CG2 4.07Å; V651-V653 HydrophobicContact CG2-CG2 4.09Å; V653-V660 CarbonylContact O-C 3.57Å; V653-V660 WeakPolarHBondContact O-CA 3.22Å; V653-Y661 PolarHBondContact N-O 3.44Å; V653-Y661 PolarHBondContact O-N 3.49Å; V653-I677 HydrophobicContact CG1-CD1 4.41Å
654Q90.4Very high86.1Confident0 Ų013.2 Ų13.20%08%0.084CC..EExtended strand (participates in β ladder)trans-90.9131.1179.4-166.3178.5-84.600112.1M640 T641 T642 T659 V660 C704 L707M640-Q654 CarbonylContact C-O 3.6Å; M640-Q654 WeakPolarHBondContact CA-O 3.42Å; T641-Q654 PolarHBondContact N-O 3.5Å; T641-Q654 PolarHBondContact OG1-O 3.47Å; T642-Q654 WeakPolarHBondContact O-CB 3.21Å; T642-Q654 PolarHBondContact O-N 3.42Å; Q654-T659 WeakPolarHBondContact CA-O 3.45Å; Q654-V660 HydrophobicContact CB-CG2 3.79Å; Q654-V660 HydrophobicContact CG-CG2 3.69Å; Q654-C704 VanDerWaalsContact NE2-N 3.17Å; Q654-C704 PolarHBondContact NE2-O 3.37Å; Q654-L707 HydrophobicContact CB-CD1 3.91Å
655M85.5Confident86Confident4 Ų413.4 Ų13.42%0.029%0.085CC..EExtended strand (participates in β ladder)trans-90.2159.3171.5-55.6-53-72.400111.4A619 A638 R639 M640 N657 G658 T659 Y661 I677A619-M655 HydrophobicContact CB-CE 3.73Å; A638-M655 HydrophobicContact CB-CE 3.65Å; R639-M655 CarbonylContact O-C 3.52Å; R639-M655 VanDerWaalsContact O-CA 3.26Å; R639-M655 WeakPolarHBondContact O-CA 3.36Å; M640-M655 HydrophobicContact CG-CE 4.32Å; M640-M655 HydrophobicContact CG-SD 3.7Å; M655-N657 VanDerWaalsContact CB-OD1 3.28Å; M655-N657 WeakPolarHBondContact CB-OD1 3.5Å; M655-N657 PolarHBondContact O-N 3.43Å; M655-G658 PolarHBondContact O-N 3.3Å; M655-T659 PolarHBondContact N-O 3.32Å; M655-Y661 HydrophobicContact CG-CD2 3.7Å; M655-Y661 HydrophobicContact CG-CE2 3.5Å; M655-Y661 HydrophobicContact SD-CD2 4.46Å; M655-I677 HydrophobicContact SD-CD1 4.14Å; M655-I677 HydrophobicContact SD-CG2 4.5Å
656S76.9Confident85.8Confident47 Ų4719.1 Ų19.133%0.32911%0.111SC..THydrogen-bonded Turntrans-58.5-16.9-178.752.90000115.2F637 R639F637-S656 PolarHBondContact O-OG 2.92Å; R639-S656 PolarHBondContact N-OG 3.25Å; R639-S656 PolarHBondContact O-N 3.37Å
657N74.4Confident85.7Confident59 Ų5922.3 Ų22.332%0.31613%0.128SC..THydrogen-bonded Turntrans-90.14.9174.467.9-13.3000113.8M655 T659 Q679 Q699M655-N657 VanDerWaalsContact CB-OD1 3.28Å; M655-N657 WeakPolarHBondContact CB-OD1 3.5Å; M655-N657 PolarHBondContact O-N 3.43Å; N657-T659 VanDerWaalsContact C-N 3.31Å; N657-T659 VanDerWaalsContact CG-OG1 3.25Å; N657-T659 PolarHBondContact ND2-OG1 3.3Å; N657-T659 PolarHBondContact O-N 3.44Å; N657-T659 WeakPolarHBondContact OD1-CB 3.42Å; N657-T659 PolarHBondContact OD1-N 3.24Å; N657-T659 PolarHBondContact OD1-OG1 3.02Å; N657-T659 VanDerWaalsContact OD1-OG1 3.05Å; N657-Q679 PolarHBondContact ND2-NE2 2.74Å; N657-Q699 PolarHBondContact O-NE2 3.01Å
658G79.9Confident85.8Confident0 Ų020.9 Ų20.90%012%0.12CC..SBendtrans82.60.3-177.700000114.8M655 F700M655-G658 PolarHBondContact O-N 3.3Å; G658-F700 WeakPolarHBondContact O-CB 3.11Å; G658-F700 PolarHBondContact O-N 3.26Å
659T86.6Confident85.9Confident10 Ų1020.6 Ų20.66%0.06112%0.119CC..EExtended strand (participates in β ladder)trans-75131.8172.9-48.20000110Q654 M655 N657 Y661 I697 I698 Q699Q654-T659 WeakPolarHBondContact CA-O 3.45Å; M655-T659 PolarHBondContact N-O 3.32Å; N657-T659 VanDerWaalsContact C-N 3.31Å; N657-T659 VanDerWaalsContact CG-OG1 3.25Å; N657-T659 PolarHBondContact ND2-OG1 3.3Å; N657-T659 PolarHBondContact O-N 3.44Å; N657-T659 WeakPolarHBondContact OD1-CB 3.42Å; N657-T659 PolarHBondContact OD1-N 3.24Å; N657-T659 PolarHBondContact OD1-OG1 3.02Å; N657-T659 VanDerWaalsContact OD1-OG1 3.05Å; T659-Y661 HydrophobicContact CG2-CD2 4.26Å; T659-Y661 HydrophobicContact CG2-CE2 3.68Å; T659-I697 HydrophobicContact CG2-CG2 3.43Å; T659-I697 VanDerWaalsContact CG2-CG2 3.43Å; T659-I698 CarbonylContact C-O 3.57Å; T659-Q699 PolarHBondContact OG1-OE1 3.17Å
660V90.5Very high85.9Confident0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans-112.3120.8176.2178.40000110.1C652 V653 Q654 I662 I697 I698 F700 L707 L729C652-V660 HydrophobicContact CB-CG1 3.78Å; V653-V660 CarbonylContact O-C 3.57Å; V653-V660 WeakPolarHBondContact O-CA 3.22Å; Q654-V660 HydrophobicContact CB-CG2 3.79Å; Q654-V660 HydrophobicContact CG-CG2 3.69Å; V660-I662 HydrophobicContact CG1-CD1 4.44Å; V660-I662 HydrophobicContact CG1-CG1 4.02Å; V660-I697 WeakPolarHBondContact O-CA 3.46Å; V660-I698 HydrophobicContact CB-CB 4.33Å; V660-I698 PolarHBondContact N-O 2.9Å; V660-I698 PolarHBondContact O-N 3.4Å; V660-F700 HydrophobicContact CB-CE2 4.41Å; V660-F700 HydrophobicContact CG2-CD2 3.66Å; V660-F700 HydrophobicContact CG2-CE2 3.65Å; V660-L707 HydrophobicContact CG2-CD1 4.22Å; V660-L729 HydrophobicContact CB-CD2 4.42Å; V660-L729 HydrophobicContact CG1-CD2 3.92Å
661Y89.1Confident85.2Confident13 Ų1327.6 Ų27.65%0.05115%0.148CC..EExtended strand (participates in β ladder)trans-96132.3174.1-65.6-95.8000109.5V653 M655 T659 I677 L694 I697V653-Y661 PolarHBondContact N-O 3.44Å; V653-Y661 PolarHBondContact O-N 3.49Å; M655-Y661 HydrophobicContact CG-CD2 3.7Å; M655-Y661 HydrophobicContact CG-CE2 3.5Å; M655-Y661 HydrophobicContact SD-CD2 4.46Å; T659-Y661 HydrophobicContact CG2-CD2 4.26Å; T659-Y661 HydrophobicContact CG2-CE2 3.68Å; Y661-I677 HydrophobicContact CD1-CG2 4.19Å; Y661-I677 HydrophobicContact CD2-CG2 3.95Å; Y661-I677 HydrophobicContact CE1-CG2 3.97Å; Y661-I677 HydrophobicContact CE2-CG2 3.74Å; Y661-I677 HydrophobicContact CG-CG2 4.17Å; Y661-L694 HydrophobicContact CD1-CD1 3.81Å; Y661-L694 HydrophobicContact CD1-CD2 4.16Å; Y661-L694 HydrophobicContact CG-CD1 4.38Å; Y661-I697 HydrophobicContact CD1-CD1 4.22Å; Y661-I697 HydrophobicContact CD1-CG1 3.96Å; Y661-I697 HydrophobicContact CE1-CD1 3.86Å; Y661-I697 HydrophobicContact CE1-CG1 4.08Å
662I89.6Confident84.2Confident0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-119.3128.9-174.6-55.7-173.5000109.5R650 V651 C652 V660 N695 C696 I698 L729 L744R650-I662 HydrophobicContact CB-CG2 4Å; V651-I662 WeakPolarHBondContact O-CA 3.37Å; C652-I662 HydrophobicContact CB-CG1 4.26Å; V660-I662 HydrophobicContact CG1-CD1 4.44Å; V660-I662 HydrophobicContact CG1-CG1 4.02Å; I662-N695 WeakPolarHBondContact O-CA 3.28Å; I662-N695 VanDerWaalsContact O-CB 3.28Å; I662-N695 WeakPolarHBondContact O-CB 2.86Å; I662-N695 PolarHBondContact O-N 3.03Å; I662-C696 PolarHBondContact N-O 3Å; I662-C696 PolarHBondContact O-N 2.92Å; I662-I698 HydrophobicContact CD1-CD1 3.64Å; I662-I698 HydrophobicContact CD1-CG1 4.17Å; I662-L729 HydrophobicContact CD1-CD2 4.36Å; I662-L744 HydrophobicContact CD1-CD2 3.13Å
663Y88.1Confident83.1Confident2 Ų236.3 Ų36.31%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-129.5140.6-175.9-59.1-92.1000111.1L617 R650 V651 V665 I668 P693 L694L617-Y663 HydrophobicContact CD1-CD2 3.89Å; L617-Y663 HydrophobicContact CD1-CE2 3.61Å; L617-Y663 HydrophobicContact CD2-CE1 4.21Å; L617-Y663 HydrophobicContact CD2-CE2 4.18Å; R650-Y663 CarbonylContact C-O 3.55Å; R650-Y663 WeakPolarHBondContact CA-O 3.36Å; R650-Y663 WeakPolarHBondContact CB-O 3.3Å; V651-Y663 PolarHBondContact N-O 3.37Å; V651-Y663 PolarHBondContact O-N 3.35Å; Y663-V665 PolarHBondContact O-N 2.97Å; Y663-I668 HydrophobicContact CD1-CD1 3.77Å; Y663-I668 HydrophobicContact CD1-CG1 4.3Å; Y663-I668 HydrophobicContact CD2-CD1 4.01Å; Y663-I668 HydrophobicContact CG-CD1 3.41Å; Y663-I668 VanDerWaalsContact CG-CD1 3.41Å; Y663-I668 HydrophobicContact CG-CG1 4.3Å; Y663-P693 HydrophobicContact CD1-CG 4.29Å; Y663-L694 HydrophobicContact CD1-CB 4.2Å; Y663-L694 HydrophobicContact CD1-CD1 4.06Å; Y663-L694 HydrophobicContact CE1-CB 3.81Å; Y663-L694 HydrophobicContact CE1-CD1 3.6Å; Y663-L694 HydrophobicContact CE1-CG 4.32Å; Y663-L694 HydrophobicContact CE2-CD1 4.1Å; Y663-L694 HydrophobicContact CG-CD1 4.49Å
664P87.6Confident82.4Confident16 Ų1637.8 Ų37.810%0.10421%0.21CC..EExtended strand (participates in β ladder)trans-66.8123.9166.4-14.633.3000108.5Q666 D667 I668 P693 N695P664-Q666 VanDerWaalsContact C-N 3.3Å; P664-Q666 PolarHBondContact O-N 2.83Å; P664-D667 HydrophobicContact CB-CB 4.19Å; P664-D667 WeakPolarHBondContact CB-OD2 3.36Å; P664-D667 VanDerWaalsContact CG-OD2 3.31Å; P664-D667 WeakPolarHBondContact CG-OD2 3.47Å; P664-D667 PolarHBondContact O-N 3.17Å; P664-D667 VanDerWaalsContact O-N 3.17Å; P664-I668 PolarHBondContact O-N 2.77Å; P664-P693 WeakPolarHBondContact CD-O 3.36Å; P664-N695 HydrophobicContact CG-CB 4.18Å
665V86.3Confident81.9Confident13 Ų1339 Ų398%0.07921%0.214CC..Hα-helixtrans-61-42.5-174.1170.60000110.6L577 G649 V651 Y663 D667 I668 L669L577-V665 HydrophobicContact CD1-CG1 3.66Å; L577-V665 HydrophobicContact CD2-CG1 4.05Å; L577-V665 HydrophobicContact CD2-CG2 3.94Å; L577-V665 HydrophobicContact CG-CG1 4.47Å; G649-V665 VanDerWaalsContact O-CB 3.24Å; G649-V665 WeakPolarHBondContact O-CB 3.38Å; G649-V665 VanDerWaalsContact O-CG2 3.32Å; G649-V665 WeakPolarHBondContact O-CG2 3.37Å; G649-V665 PolarHBondContact O-N 3.17Å; V651-V665 HydrophobicContact CB-CG2 3.9Å; V651-V665 HydrophobicContact CG1-CG2 4.16Å; Y663-V665 PolarHBondContact O-N 2.97Å; V665-D667 VanDerWaalsContact C-N 3.3Å; V665-D667 PolarHBondContact O-N 2.87Å; V665-I668 PolarHBondContact O-N 3.16Å; V665-L669 HydrophobicContact CG1-CD1 3.52Å; V665-L669 HydrophobicContact CG1-CG 3.95Å; V665-L669 WeakPolarHBondContact O-CB 3.49Å; V665-L669 VanDerWaalsContact O-CG 3.28Å; V665-L669 WeakPolarHBondContact O-CG 3.34Å; V665-L669 PolarHBondContact O-N 3.24Å
666Q84.5Confident81.4Confident127 Ų12742.9 Ų42.959%0.59323%0.232SC*.Hα-helixtrans-58.2-40.7177.8-73-83.3-26.400112.1P664 L669 N670P664-Q666 VanDerWaalsContact C-N 3.3Å; P664-Q666 PolarHBondContact O-N 2.83Å; Q666-L669 PolarHBondContact O-N 2.98Å; Q666-N670 VanDerWaalsContact O-CB 3.29Å; Q666-N670 WeakPolarHBondContact O-CB 3.36Å; Q666-N670 PolarHBondContact O-N 3.24Å; Q666-N670 PolarHBondContact O-ND2 3.04Å; Q666-N670 VanDerWaalsContact O-ND2 3.09Å
667D83.4Confident81.4Confident73 Ų7340.8 Ų40.839%0.3922%0.218SC..Hα-helixtrans-70.5-36.6-177.2-63.2-16000112P664 V665 P693P664-D667 HydrophobicContact CB-CB 4.19Å; P664-D667 WeakPolarHBondContact CB-OD2 3.36Å; P664-D667 VanDerWaalsContact CG-OD2 3.31Å; P664-D667 WeakPolarHBondContact CG-OD2 3.47Å; P664-D667 PolarHBondContact O-N 3.17Å; P664-D667 VanDerWaalsContact O-N 3.17Å; V665-D667 VanDerWaalsContact C-N 3.3Å; V665-D667 PolarHBondContact O-N 2.87Å; D667-P693 HydrophobicContact CB-CB 3.56Å
668I83.2Confident81Confident1 Ų142.1 Ų42.11%0.00522%0.224CC..Hα-helixtrans-69.7-40.8171-65.4-175.9000111R614 L616 L617 V651 Y663 P664 V665 P693R614-I668 PolarHBondContact NH2-O 3.32Å; L616-I668 HydrophobicContact CB-CG2 3.71Å; L616-I668 HydrophobicContact CD1-CG2 3.74Å; L616-I668 HydrophobicContact CD2-CG2 3.94Å; L616-I668 HydrophobicContact CG-CG2 4Å; L617-I668 HydrophobicContact CD1-CD1 4.19Å; L617-I668 HydrophobicContact CD2-CD1 4.44Å; L617-I668 HydrophobicContact CG-CD1 4.4Å; V651-I668 HydrophobicContact CG1-CD1 4.22Å; Y663-I668 HydrophobicContact CD1-CD1 3.77Å; Y663-I668 HydrophobicContact CD1-CG1 4.3Å; Y663-I668 HydrophobicContact CD2-CD1 4.01Å; Y663-I668 HydrophobicContact CG-CD1 3.41Å; Y663-I668 VanDerWaalsContact CG-CD1 3.41Å; Y663-I668 HydrophobicContact CG-CG1 4.3Å; P664-I668 PolarHBondContact O-N 2.77Å; V665-I668 PolarHBondContact O-N 3.16Å; I668-P693 HydrophobicContact CG1-CB 4.5Å; I668-P693 HydrophobicContact CG1-CG 3.75Å
669L84Confident80Confident28 Ų2845.1 Ų45.115%0.14724%0.238CC..Hα-helixtrans-74-25.6-177.6-71.1-177.2000113.3L577 Y594 R614 L616 V665 Q666 N671L577-L669 HydrophobicContact CD1-CD1 4.29Å; Y594-L669 HydrophobicContact CD1-CD2 3.88Å; Y594-L669 HydrophobicContact CD2-CD2 3.72Å; Y594-L669 HydrophobicContact CE1-CD2 3.95Å; Y594-L669 HydrophobicContact CE2-CD1 3.99Å; Y594-L669 HydrophobicContact CE2-CD2 3.78Å; Y594-L669 HydrophobicContact CG-CD2 3.76Å; R614-L669 PolarHBondContact NH2-O 2.98Å; L616-L669 HydrophobicContact CD1-CD2 3.96Å; L616-L669 HydrophobicContact CD2-CD2 4.06Å; V665-L669 HydrophobicContact CG1-CD1 3.52Å; V665-L669 HydrophobicContact CG1-CG 3.95Å; V665-L669 WeakPolarHBondContact O-CB 3.49Å; V665-L669 VanDerWaalsContact O-CG 3.28Å; V665-L669 WeakPolarHBondContact O-CG 3.34Å; V665-L669 PolarHBondContact O-N 3.24Å; Q666-L669 PolarHBondContact O-N 2.98Å; L669-N671 VanDerWaalsContact C-N 3.32Å; L669-N671 PolarHBondContact O-N 3.42Å
670N81.4Confident78.3Confident111 Ų11147 Ų4759%0.59425%0.247SC*.Hα-helixtrans-76.6-21178.6-72.7-25.7000113.1Q666Q666-N670 VanDerWaalsContact O-CB 3.29Å; Q666-N670 WeakPolarHBondContact O-CB 3.36Å; Q666-N670 PolarHBondContact O-N 3.24Å; Q666-N670 PolarHBondContact O-ND2 3.04Å; Q666-N670 VanDerWaalsContact O-ND2 3.09Å
671N73Confident76Confident72 Ų7253.5 Ų53.539%0.38528%0.282SS..  trans-98.4134176.2-82.1-57.5000111.5R614 L669 C673 Y675R614-N671 PolarHBondContact NH2-O 3.45Å; L669-N671 VanDerWaalsContact C-N 3.32Å; L669-N671 PolarHBondContact O-N 3.42Å; N671-C673 PolarHBondContact O-N 3.01Å; N671-Y675 HydrophobicContact CB-CE2 4.12Å; N671-Y675 WeakPolarHBondContact CB-OH 3.28Å; N671-Y675 PolarHBondContact ND2-OH 3.12Å
672N69.4Low73.4Confident104 Ų10461.6 Ų61.656%0.55632%0.321SS*.  trans-80.6-2.7178.2-71.5-10.2000113.4R614R614-N672 PolarHBondContact NH1-OD1 3.19Å
673C69.2Low70.9Confident82 Ų8267.9 Ų67.955%0.55435%0.348SS*.SBendtrans-86.6142.9-178.7-57.70000111.6N671N671-C673 PolarHBondContact O-N 3.01Å
674C76.8Confident68.2Low31 Ų3173.6 Ų73.621%0.20938%0.383CS..PPolyproline II helixtrans-82.9119.9169.2-175.70000109.2L552 W615L552-C674 HydrophobicContact CD2-CB 4Å; W615-C674 HydrophobicContact CB-CB 4.5Å
675Y80.3Confident65.8Low25 Ų2580 Ų8010%0.09842%0.415CS..EExtended strand (participates in β ladder)trans-84.4141.7-177.4-66.4-78.3000112L616 L617 R618 N671 Y691 P693L616-Y675 PolarHBondContact O-N 2.71Å; L617-Y675 CarbonylContact C-O 3.45Å; L617-Y675 VanDerWaalsContact CA-O 3.29Å; L617-Y675 WeakPolarHBondContact CA-O 3.37Å; R618-Y675 PolarHBondContact N-O 2.9Å; N671-Y675 HydrophobicContact CB-CE2 4.12Å; N671-Y675 WeakPolarHBondContact CB-OH 3.28Å; N671-Y675 PolarHBondContact ND2-OH 3.12Å; Y675-Y691 VanDerWaalsContact CE1-O 3.23Å; Y675-Y691 WeakPolarHBondContact CE1-O 3.22Å; Y675-P693 HydrophobicContact CD2-CG 4.22Å; Y675-P693 HydrophobicContact CE1-CG 4.32Å; Y675-P693 HydrophobicContact CE2-CG 3.81Å
676E75.8Confident63.3Low86 Ų8686 Ų8640%0.40245%0.447SS..EExtended strand (participates in β ladder)trans-95.3129.8176.9-171.5165.8-150.300111.8R618 S620 L678R618-E676 IonicContact NH1-OE1 3.95Å; R618-E676 CarbonylContact O-C 3.54Å; R618-E676 WeakPolarHBondContact O-CA 3.38Å; S620-E676 WeakPolarHBondContact CA-OE1 3.47Å; S620-E676 WeakPolarHBondContact CB-OE1 3.43Å; E676-L678 HydrophobicContact CG-CD2 4.39Å; E676-L678 PolarHBondContact O-N 3.31Å
677I77.3Confident60.9Low4 Ų486 Ų862%0.02145%0.451CS..EExtended strand (participates in β ladder)trans-89.596.2172.5-50.6-179.4000107.7L617 R618 S620 M640 V653 M655 Y661L617-I677 HydrophobicContact CB-CD1 4.3Å; L617-I677 HydrophobicContact CB-CG1 4.49Å; L617-I677 HydrophobicContact CD1-CD1 4.26Å; L617-I677 HydrophobicContact CD2-CD1 4.48Å; L617-I677 HydrophobicContact CD2-CG1 4.19Å; R618-I677 PolarHBondContact O-N 3.31Å; S620-I677 WeakPolarHBondContact CB-O 3.47Å; S620-I677 PolarHBondContact N-O 3.04Å; S620-I677 VanDerWaalsContact N-O 3.09Å; S620-I677 PolarHBondContact OG-O 3.22Å; M640-I677 HydrophobicContact SD-CD1 4.29Å; V653-I677 HydrophobicContact CG1-CD1 4.41Å; M655-I677 HydrophobicContact SD-CD1 4.14Å; M655-I677 HydrophobicContact SD-CG2 4.5Å; Y661-I677 HydrophobicContact CD1-CG2 4.19Å; Y661-I677 HydrophobicContact CD2-CG2 3.95Å; Y661-I677 HydrophobicContact CE1-CG2 3.97Å; Y661-I677 HydrophobicContact CE2-CG2 3.74Å; Y661-I677 HydrophobicContact CG-CG2 4.17Å
678L65.5Low58.9Low87 Ų8787.5 Ų87.546%0.45546%0.458SS..  trans-74.5126172.1-67169.3000109.7S620 E676 I680S620-L678 WeakPolarHBondContact OG-CA 3.37Å; E676-L678 HydrophobicContact CG-CD2 4.39Å; E676-L678 PolarHBondContact O-N 3.31Å; L678-I680 PolarHBondContact O-N 2.8Å; L678-I680 VanDerWaalsContact O-N 3.08Å
679Q57.6Low56.8Low63 Ų6394.8 Ų94.829%0.29449%0.492SS..  trans-73.8101.8176.6-155.7179.319.700108.9A638 N657 N681A638-Q679 HydrophobicContact CB-CB 4.42Å; A638-Q679 HydrophobicContact CB-CG 4.21Å; N657-Q679 PolarHBondContact ND2-NE2 2.74Å; Q679-N681 PolarHBondContact O-N 3.17Å
680I51.2Low55.2Low49 Ų4998 Ų9825%0.25152%0.517SS..  trans-86.499.4-178.1-61.4177.7000108L678 F683 L688L678-I680 PolarHBondContact O-N 2.8Å; L678-I680 VanDerWaalsContact O-N 3.08Å; I680-F683 HydrophobicContact CB-CD2 4.04Å; I680-F683 HydrophobicContact CD1-CD2 4.06Å; I680-F683 HydrophobicContact CG1-CD2 3.69Å; I680-F683 HydrophobicContact CG1-CE2 4.13Å; I680-F683 HydrophobicContact CG2-CB 3.87Å; I680-F683 HydrophobicContact CG2-CD2 3.54Å; I680-F683 HydrophobicContact CG2-CG 4.19Å; I680-L688 HydrophobicContact CD1-CD1 4.1Å
681N42.4Very low54Low137 Ų137101.6 Ų101.673%0.73352%0.524SS*.SBendtrans-82.9-17.4169.3-80.2-9.6000112.7Q679Q679-N681 PolarHBondContact O-N 3.17Å
682E34.1Very low53.7Low183 Ų183100.5 Ų100.586%0.85552%0.518SS*.SBendtrans-168.4124.5175.1-102.3161.4-160.800106.9
683F37Very low53.9Low132 Ų13296.4 Ų96.458%0.57950%0.497SS*.  trans-139.4125.3164.1-97.3-70.9000112.3I680I680-F683 HydrophobicContact CB-CD2 4.04Å; I680-F683 HydrophobicContact CD1-CD2 4.06Å; I680-F683 HydrophobicContact CG1-CD2 3.69Å; I680-F683 HydrophobicContact CG1-CE2 4.13Å; I680-F683 HydrophobicContact CG2-CB 3.87Å; I680-F683 HydrophobicContact CG2-CD2 3.54Å; I680-F683 HydrophobicContact CG2-CG 4.19Å
684T32.6Very low54.3Low121 Ų12193 Ų9374%0.74247%0.473SS*.  trans-60.5136.6147.542.40000110.1D686T684-D686 VanDerWaalsContact C-N 3.27Å; T684-D686 PolarHBondContact O-N 3.05Å
685I36.5Very low54.5Low151 Ų15193.4 Ų93.477%0.77447%0.473SS*.THydrogen-bonded Turntrans-67.9-3.8-159.5-73.2165.1000116.1
686D34.2Very low54.6Low139 Ų13992.4 Ų92.474%0.74347%0.469SS*.THydrogen-bonded Turntrans-95.8-2.5-156.1-65.9-27.4000118.1T684T684-D686 VanDerWaalsContact C-N 3.27Å; T684-D686 PolarHBondContact O-N 3.05Å
687N34.9Very low55.1Low126 Ų12688.9 Ų88.967%0.67445%0.453SS*.  trans-123.77.5-169.4-79.3-20.4000118.5H689N687-H689 PolarHBondContact O-N 3.2Å
688L39.6Very low55.7Low106 Ų10688.7 Ų88.756%0.55545%0.452SS*.  trans-91.287.2171.6-90.6153.9000111.1I680 S690I680-L688 HydrophobicContact CD1-CD1 4.1Å; L688-S690 PolarHBondContact O-N 3.17Å
689H40.5Very low56.8Low153 Ų15387.8 Ų87.871%0.70845%0.446SS*.  trans-55.9115.6175.2-72.2-77.2000113.5N687 Y691N687-H689 PolarHBondContact O-N 3.2Å; H689-Y691 VanDerWaalsContact C-N 3.32Å; H689-Y691 PolarHBondContact O-N 2.91Å
690S48.8Very low58.2Low97 Ų9784.8 Ų84.868%0.67843%0.432SS*.SBendtrans46.1-2.314063.20000123.7L688L688-S690 PolarHBondContact O-N 3.17Å
691Y56.5Low59.8Low186 Ų18686.4 Ų86.473%0.72945%0.445SS*.  trans-137.31.9-172-70.4-77.5000117.7Y675 H689Y675-Y691 VanDerWaalsContact CE1-O 3.23Å; Y675-Y691 WeakPolarHBondContact CE1-O 3.22Å; H689-Y691 VanDerWaalsContact C-N 3.32Å; H689-Y691 PolarHBondContact O-N 2.91Å
692N66.5Low61.5Low49 Ų4981.2 Ų81.226%0.26242%0.42SS..  trans-90.2120.6179.3-167.2-24.2000111.7L694N692-L694 PolarHBondContact O-N 2.8Å; N692-L694 PolarHBondContact OD1-N 3.4Å
693P75.1Confident63.6Low17 Ų1775 Ų7511%0.1139%0.389CS..  trans-77.419.5-177.333.2-37.2000114.3Y663 P664 D667 I668 Y675 N695Y663-P693 HydrophobicContact CD1-CG 4.29Å; P664-P693 WeakPolarHBondContact CD-O 3.36Å; D667-P693 HydrophobicContact CB-CB 3.56Å; I668-P693 HydrophobicContact CG1-CB 4.5Å; I668-P693 HydrophobicContact CG1-CG 3.75Å; Y675-P693 HydrophobicContact CD2-CG 4.22Å; Y675-P693 HydrophobicContact CE1-CG 4.32Å; Y675-P693 HydrophobicContact CE2-CG 3.81Å; P693-N695 PolarHBondContact O-N 3.42Å
694L77.9Confident65.9Low12 Ų1268.7 Ų68.76%0.06336%0.362CS..  trans-61.8124.8-179-177.367.9000111.4Y661 Y663 N692 I697 F752Y661-L694 HydrophobicContact CD1-CD1 3.81Å; Y661-L694 HydrophobicContact CD1-CD2 4.16Å; Y661-L694 HydrophobicContact CG-CD1 4.38Å; Y663-L694 HydrophobicContact CD1-CB 4.2Å; Y663-L694 HydrophobicContact CD1-CD1 4.06Å; Y663-L694 HydrophobicContact CE1-CB 3.81Å; Y663-L694 HydrophobicContact CE1-CD1 3.6Å; Y663-L694 HydrophobicContact CE1-CG 4.32Å; Y663-L694 HydrophobicContact CE2-CD1 4.1Å; Y663-L694 HydrophobicContact CG-CD1 4.49Å; N692-L694 PolarHBondContact O-N 2.8Å; N692-L694 PolarHBondContact OD1-N 3.4Å; L694-I697 HydrophobicContact CD2-CD1 3.98Å; L694-I697 HydrophobicContact CD2-CG1 3.93Å; L694-F752 HydrophobicContact CB-CZ 4.19Å; L694-F752 WeakPolarHBondContact O-CE2 3.35Å; L694-F752 WeakPolarHBondContact O-CZ 3.41Å
695N80.2Confident68.2Low39 Ų3963.2 Ų63.221%0.20933%0.328CS..  trans-86.9-54.8179.5-176.9-90.2000112.3I662 P664 P693I662-N695 WeakPolarHBondContact O-CA 3.28Å; I662-N695 VanDerWaalsContact O-CB 3.28Å; I662-N695 WeakPolarHBondContact O-CB 2.86Å; I662-N695 PolarHBondContact O-N 3.03Å; P664-N695 HydrophobicContact CG-CB 4.18Å; P693-N695 PolarHBondContact O-N 3.42Å
696C82.8Confident70.6Confident3 Ų358 Ų582%0.0230%0.3CS..EExtended strand (participates in β ladder)trans-158.4166.5179.257.20000112.1I662 P745I662-C696 PolarHBondContact N-O 3Å; I662-C696 PolarHBondContact O-N 2.92Å; C696-P745 HydrophobicContact CB-CG 4.32Å
697I86.9Confident73.2Confident12 Ų1252 Ų526%0.06227%0.268CS..EExtended strand (participates in β ladder)trans-122.7131.1178.6-57.9173000108.9T659 V660 Y661 L694 N755 I757T659-I697 HydrophobicContact CG2-CG2 3.43Å; T659-I697 VanDerWaalsContact CG2-CG2 3.43Å; V660-I697 WeakPolarHBondContact O-CA 3.46Å; Y661-I697 HydrophobicContact CD1-CD1 4.22Å; Y661-I697 HydrophobicContact CD1-CG1 3.96Å; Y661-I697 HydrophobicContact CE1-CD1 3.86Å; Y661-I697 HydrophobicContact CE1-CG1 4.08Å; L694-I697 HydrophobicContact CD2-CD1 3.98Å; L694-I697 HydrophobicContact CD2-CG1 3.93Å; I697-N755 VanDerWaalsContact O-O 3.12Å; I697-I757 PolarHBondContact O-N 2.89Å
698I88.6Confident75.8Confident0 Ų046.8 Ų46.80%024%0.24CC..EExtended strand (participates in β ladder)trans-115.4132174.3-61.8178.2000108.8T659 V660 I662 F700 L729 A742 L744 I757 A759T659-I698 CarbonylContact C-O 3.57Å; V660-I698 HydrophobicContact CB-CB 4.33Å; V660-I698 PolarHBondContact N-O 2.9Å; V660-I698 PolarHBondContact O-N 3.4Å; I662-I698 HydrophobicContact CD1-CD1 3.64Å; I662-I698 HydrophobicContact CD1-CG1 4.17Å; I698-F700 HydrophobicContact CG2-CD2 4.23Å; I698-F700 HydrophobicContact CG2-CE2 3.95Å; I698-F700 HydrophobicContact CG2-CZ 4.37Å; I698-L729 HydrophobicContact CD1-CB 4.32Å; I698-L729 HydrophobicContact CD1-CD2 3.76Å; I698-A742 HydrophobicContact CD1-CB 3.86Å; I698-A742 HydrophobicContact CG1-CB 4.48Å; I698-A742 HydrophobicContact CG2-CB 3.76Å; I698-L744 HydrophobicContact CD1-CD2 3.63Å; I698-I757 CarbonylContact C-O 3.49Å; I698-I757 WeakPolarHBondContact CA-O 3.49Å; I698-I757 HydrophobicContact CG1-CB 4.18Å; I698-A759 HydrophobicContact CG2-CB 4.28Å
699Q88.3Confident78.2Confident68 Ų6841.9 Ų41.932%0.31821%0.214SC..EExtended strand (participates in β ladder)trans-102.1112.4172.7-173.861.140.300109.8N657 T659 I757 A759N657-Q699 PolarHBondContact O-NE2 3.01Å; T659-Q699 PolarHBondContact OG1-OE1 3.17Å; Q699-I757 PolarHBondContact N-O 3.12Å; Q699-A759 PolarHBondContact O-N 3.14Å
700F87.6Confident80.6Confident0 Ų034.6 Ų34.60%018%0.18CC..  trans-79.7146.3165.4-74.2-82.7000110.5G658 V660 I698 S702 L707 L729 Y740 A759G658-F700 WeakPolarHBondContact O-CB 3.11Å; G658-F700 PolarHBondContact O-N 3.26Å; V660-F700 HydrophobicContact CB-CE2 4.41Å; V660-F700 HydrophobicContact CG2-CD2 3.66Å; V660-F700 HydrophobicContact CG2-CE2 3.65Å; I698-F700 HydrophobicContact CG2-CD2 4.23Å; I698-F700 HydrophobicContact CG2-CE2 3.95Å; I698-F700 HydrophobicContact CG2-CZ 4.37Å; F700-S702 WeakPolarHBondContact CB-O 3.22Å; F700-S702 PolarHBondContact O-N 3.44Å; F700-L707 HydrophobicContact CE2-CD2 4.21Å; F700-L707 HydrophobicContact CZ-CD2 4.46Å; F700-L729 HydrophobicContact CE2-CD2 3.83Å; F700-L729 HydrophobicContact CE2-CG 4.39Å; F700-L729 HydrophobicContact CZ-CD2 4.02Å; F700-L729 HydrophobicContact CZ-CG 4.11Å; F700-Y740 HydrophobicContact CD1-CD2 4.13Å; F700-Y740 AromaticContact CD1-CG 3.93Å; F700-Y740 HydrophobicContact CD1-CG 3.93Å; F700-Y740 VanDerWaalsContact CE1-CB 3.42Å; F700-Y740 HydrophobicContact CE1-CG 4.46Å; F700-A759 HydrophobicContact CD1-CB 3.33Å; F700-A759 HydrophobicContact CE1-CB 3.41Å; F700-A759 VanDerWaalsContact CE1-CB 3.41Å; F700-A759 HydrophobicContact CG-CB 4.03Å; F700-A759 HydrophobicContact CZ-CB 4.16Å
701P84.1Confident82.4Confident83 Ų8330 Ų3054%0.53915%0.148SC..SBendtrans-62.5-27.1176-24.935.8000113.6Y740P701-Y740 HydrophobicContact CB-CE1 3.95Å; P701-Y740 HydrophobicContact CG-CD1 3.81Å; P701-Y740 HydrophobicContact CG-CE1 3.59Å
702S78Confident84Confident29 Ų2921.1 Ų21.120%0.20311%0.113CC..SBendtrans-145.4163.917763.60000110.8F700 C704 N733 Y740F700-S702 WeakPolarHBondContact CB-O 3.22Å; F700-S702 PolarHBondContact O-N 3.44Å; S702-C704 PolarHBondContact O-N 3.27Å; S702-N733 PolarHBondContact OG-ND2 3.49Å; S702-Y740 VanDerWaalsContact OG-CE2 3.27Å; S702-Y740 WeakPolarHBondContact OG-CE2 3.47Å; S702-Y740 PolarHBondContact OG-OH 3.43Å; S702-Y740 VanDerWaalsContact OG-OH 3.09Å
703Y78.8Confident85Confident52 Ų5219.2 Ų19.220%0.20410%0.103CC..  trans-57.5134.6171.1165.2-102000110.8T641 D705 N733T641-Y703 VanDerWaalsContact CB-CE2 3.4Å; T641-Y703 HydrophobicContact CG2-CD2 4.36Å; T641-Y703 HydrophobicContact CG2-CE2 3.89Å; T641-Y703 VanDerWaalsContact OG1-CE2 3.25Å; T641-Y703 WeakPolarHBondContact OG1-CE2 3.34Å; Y703-D705 WeakPolarHBondContact CE1-OD1 3.03Å; Y703-N733 PolarHBondContact O-ND2 2.95Å; Y703-N733 VanDerWaalsContact O-ND2 3.16Å
704C86.1Confident85.5Confident0 Ų019 Ų190%010%0.101CC..  trans-113.1129.5177.5-61.80000111.6T642 Q654 S702 L707 F732T642-C704 PolarHBondContact OG1-O 3.27Å; T642-C704 VanDerWaalsContact OG1-O 3.09Å; Q654-C704 VanDerWaalsContact NE2-N 3.17Å; Q654-C704 PolarHBondContact NE2-O 3.37Å; S702-C704 PolarHBondContact O-N 3.27Å; C704-L707 HydrophobicContact CB-CD2 4.3Å; C704-F732 CarbonylContact C-O 3.51Å; C704-F732 WeakPolarHBondContact CA-O 3.41Å
705D81.3Confident85.5Confident6 Ų622 Ų223%0.03212%0.115CC..SBendtrans-70.4-31.8-178.3-63.3-69.9000113.8L350 N381 Y703 F732 K734L350-D705 WeakPolarHBondContact CD1-OD1 3.38Å; L350-D705 WeakPolarHBondContact CD1-OD2 3.23Å; L350-D705 WeakPolarHBondContact CD2-OD1 3.39Å; N381-D705 WeakPolarHBondContact ND2-CB 3.33Å; N381-D705 PolarHBondContact ND2-OD1 2.89Å; N381-D705 PolarHBondContact OD1-OD1 2.74Å; Y703-D705 WeakPolarHBondContact CE1-OD1 3.03Å; D705-F732 PolarHBondContact N-O 2.86Å; D705-K734 HydrophobicContact CB-CB 4.49Å; D705-K734 HydrophobicContact CB-CD 4Å; D705-K734 HydrophobicContact CB-CG 4.06Å; D705-K734 WeakPolarHBondContact OD2-CB 3.43Å; D705-K734 PolarHBondContact OD2-N 2.96Å
706Q85.2Confident85.2Confident42 Ų4226.4 Ų26.420%0.19613%0.129CC..EExtended strand (participates in β ladder)trans-134124.3-176.8-177.2178.5-12.300108.3M383 F732M383-Q706 HydrophobicContact CE-CB 4.47Å; M383-Q706 HydrophobicContact CE-CG 4.21Å; Q706-F732 HydrophobicContact CB-CB 4.43Å; Q706-F732 PolarHBondContact N-O 3.12Å; Q706-F732 PolarHBondContact O-N 3.23Å
707L90Very high84.5Confident13 Ų1331.8 Ų31.87%0.06816%0.157CC..EExtended strand (participates in β ladder)trans-100.6139.4168.7-69.1-174000109.8T642 C644 Q654 V660 F700 C704 L730T642-L707 HydrophobicContact CG2-CB 4.27Å; T642-L707 HydrophobicContact CG2-CG 4.06Å; C644-L707 HydrophobicContact CB-CB 3.97Å; Q654-L707 HydrophobicContact CB-CD1 3.91Å; V660-L707 HydrophobicContact CG2-CD1 4.22Å; F700-L707 HydrophobicContact CE2-CD2 4.21Å; F700-L707 HydrophobicContact CZ-CD2 4.46Å; C704-L707 HydrophobicContact CB-CD2 4.3Å; L707-L730 WeakPolarHBondContact CA-O 3.11Å
708L89.9Confident83.5Confident16 Ų1634.3 Ų34.38%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-141.3123.9174177.166.9000109.8L462 I710 L730 L769 L776L462-L708 HydrophobicContact CD2-CD1 4.16Å; L708-I710 HydrophobicContact CD2-CG2 3.85Å; L708-I710 HydrophobicContact CG-CG2 3.97Å; L708-L730 HydrophobicContact CB-CB 4.42Å; L708-L730 HydrophobicContact CD2-CD1 4.39Å; L708-L730 PolarHBondContact N-O 3.22Å; L708-L730 WeakPolarHBondContact O-CA 3.43Å; L708-L730 WeakPolarHBondContact O-CB 3.3Å; L708-L730 PolarHBondContact O-N 3.05Å; L708-L769 HydrophobicContact CB-CD1 4.13Å; L708-L769 HydrophobicContact CD2-CD1 3.44Å; L708-L769 VanDerWaalsContact CD2-CD1 3.44Å; L708-L769 HydrophobicContact CG-CD1 4.42Å; L708-L776 HydrophobicContact CD2-CD1 3.92Å
709C89.7Confident82.4Confident2 Ų237.3 Ų37.31%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-92.9130168.4-169.60000110.2W463 T646 I728W463-C709 PolarHBondContact NE1-O 3.4Å; T646-C709 HydrophobicContact CG2-CB 3.97Å; T646-C709 VanDerWaalsContact CG2-SG 3.59Å; C709-I728 WeakPolarHBondContact CA-O 3.3Å
710I89.3Confident80.7Confident0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-119.3134.2176.155.5169.9000111.3L708 I712 I728 L730 L776 L790L708-I710 HydrophobicContact CD2-CG2 3.85Å; L708-I710 HydrophobicContact CG-CG2 3.97Å; I710-I712 HydrophobicContact CD1-CD1 4.49Å; I710-I728 HydrophobicContact CD1-CB 4.37Å; I710-I728 HydrophobicContact CG1-CB 3.92Å; I710-I728 PolarHBondContact N-O 3.26Å; I710-I728 PolarHBondContact O-N 2.99Å; I710-L730 HydrophobicContact CD1-CD1 3.8Å; I710-L730 HydrophobicContact CD1-CG 4.26Å; I710-L730 HydrophobicContact CG1-CD1 4.17Å; I710-L730 HydrophobicContact CG1-CG 4.34Å; I710-L730 HydrophobicContact CG2-CD1 4.33Å; I710-L776 HydrophobicContact CD1-CD2 4.3Å; I710-L776 HydrophobicContact CG2-CD1 4.42Å; I710-L790 HydrophobicContact CB-CD1 4.38Å; I710-L790 HydrophobicContact CD1-CD2 3.76Å
711P87.7Confident79.1Confident0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-78.5142.117031.5-32.3000110.7W463 I647 Y713 L727W463-P711 HydrophobicContact CH2-CG 3.31Å; W463-P711 HydrophobicContact CZ2-CG 3.73Å; W463-P711 HydrophobicContact CZ3-CG 3.91Å; I647-P711 HydrophobicContact CD1-CG 4.38Å; I647-P711 HydrophobicContact CG2-CB 4.42Å; P711-Y713 HydrophobicContact CB-CE2 3.97Å; P711-Y713 HydrophobicContact CG-CE2 3.79Å; P711-Y713 WeakPolarHBondContact CG-OH 3.4Å; P711-L727 HydrophobicContact CB-CD2 4.03Å
712I89.9Confident77.7Confident0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-109.2137.5171.6-59.3-60.1000108.3I710 S725 A726 I728 L790 F792 I797 L803I710-I712 HydrophobicContact CD1-CD1 4.49Å; I712-S725 PolarHBondContact O-N 2.84Å; I712-A726 HydrophobicContact CB-CB 4.27Å; I712-A726 PolarHBondContact N-O 2.97Å; I712-A726 PolarHBondContact O-N 2.87Å; I712-I728 HydrophobicContact CD1-CD1 3.84Å; I712-I728 HydrophobicContact CD1-CG1 4.41Å; I712-I728 HydrophobicContact CG1-CD1 3.68Å; I712-I728 HydrophobicContact CG1-CG1 3.85Å; I712-L790 HydrophobicContact CD1-CB 4.44Å; I712-L790 HydrophobicContact CD1-CD2 3.96Å; I712-F792 HydrophobicContact CD1-CD2 4.1Å; I712-F792 HydrophobicContact CD1-CE2 3.76Å; I712-F792 HydrophobicContact CD1-CZ 4.43Å; I712-F792 HydrophobicContact CG2-CB 3.93Å; I712-F792 HydrophobicContact CG2-CD2 3.62Å; I712-F792 HydrophobicContact CG2-CE2 4.35Å; I712-F792 HydrophobicContact CG2-CG 3.91Å; I712-I797 HydrophobicContact CG2-CD1 4.24Å; I712-I797 HydrophobicContact CG2-CG1 4.02Å; I712-L803 HydrophobicContact CG1-CD1 4.4Å; I712-L803 HydrophobicContact CG1-CD2 4.38Å; I712-L803 HydrophobicContact CG2-CD1 4.01Å
713Y88Confident77.1Confident10 Ų1044.6 Ų44.64%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-118.3146.9-179.9-52.4-92.8000111.5P711 Y718 S773 L790 L791 F792P711-Y713 HydrophobicContact CB-CE2 3.97Å; P711-Y713 HydrophobicContact CG-CE2 3.79Å; P711-Y713 WeakPolarHBondContact CG-OH 3.4Å; Y713-Y718 HydrophobicContact CD1-CD2 4.21Å; Y713-Y718 AromaticContact CD1-CE2 3.97Å; Y713-Y718 HydrophobicContact CD1-CE2 3.97Å; Y713-Y718 HydrophobicContact CD2-CE2 4.08Å; Y713-Y718 AromaticContact CG-CD2 3.93Å; Y713-Y718 HydrophobicContact CG-CD2 3.93Å; Y713-Y718 AromaticContact CG-CE2 3.71Å; Y713-Y718 HydrophobicContact CG-CE2 3.71Å; Y713-S773 VanDerWaalsContact CE2-O 3.28Å; Y713-S773 WeakPolarHBondContact CE2-O 3.37Å; Y713-L790 PolarHBondContact N-O 2.87Å; Y713-L791 WeakPolarHBondContact O-CA 3.37Å; Y713-F792 PolarHBondContact O-N 3.46Å
714D85Confident77.2Confident13 Ų1344.8 Ų44.87%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-74.2123.6170.7-175.1-14.9000110.1Y716 N717 Y718 S725 F792 S794 I797D714-Y716 VanDerWaalsContact C-N 3.26Å; D714-Y716 PolarHBondContact O-N 3.06Å; D714-Y716 PolarHBondContact OD1-N 2.89Å; D714-N717 HydrophobicContact CB-CB 4.21Å; D714-N717 CarbonylContact O-C 3.53Å; D714-N717 PolarHBondContact O-N 2.86Å; D714-N717 PolarHBondContact OD2-ND2 3.12Å; D714-N717 VanDerWaalsContact OD2-ND2 3.11Å; D714-Y718 VanDerWaalsContact O-CA 3.29Å; D714-Y718 WeakPolarHBondContact O-CA 3.35Å; D714-Y718 WeakPolarHBondContact O-CB 3.33Å; D714-Y718 PolarHBondContact O-N 2.98Å; D714-S725 WeakPolarHBondContact CB-OG 3.45Å; D714-S725 PolarHBondContact N-OG 3.24Å; D714-F792 WeakPolarHBondContact CA-O 3.47Å; D714-S794 PolarHBondContact OD1-OG 3.25Å; D714-S794 WeakPolarHBondContact OD2-CB 3.14Å; D714-S794 PolarHBondContact OD2-OG 3.12Å; D714-I797 HydrophobicContact CB-CD1 3.87Å
715E78.9Confident77.2Confident75 Ų7546 Ų4635%0.3523%0.23SC..SBendtrans-54-38.3177.2-83.1176.7-16900113.3L791 F792E715-L791 HydrophobicContact CG-CB 3.5Å; E715-L791 VanDerWaalsContact CG-CB 3.5Å; E715-F792 PolarHBondContact N-O 2.84Å
716Y73.7Confident77.6Confident131 Ų13146 Ų4651%0.51423%0.231SC..THydrogen-bonded Turntrans-82.3-32.9-175.9-61.4-82.8000112.7D714 N793 S949D714-Y716 VanDerWaalsContact C-N 3.26Å; D714-Y716 PolarHBondContact O-N 3.06Å; D714-Y716 PolarHBondContact OD1-N 2.89Å; Y716-N793 WeakPolarHBondContact CE2-OD1 3.32Å; Y716-S949 WeakPolarHBondContact OH-CB 3.48Å; Y716-S949 PolarHBondContact OH-OG 2.98Å
717N67.5Low77.8Confident115 Ų11544.1 Ų44.162%0.61522%0.222SC*.THydrogen-bonded Turntrans-105.726-178.5-64.4-50000111.5D714 N719D714-N717 HydrophobicContact CB-CB 4.21Å; D714-N717 CarbonylContact O-C 3.53Å; D714-N717 PolarHBondContact O-N 2.86Å; D714-N717 PolarHBondContact OD2-ND2 3.12Å; D714-N717 VanDerWaalsContact OD2-ND2 3.11Å; N717-N719 PolarHBondContact O-N 2.7Å
718Y66.6Low77.9Confident65 Ų6543.5 Ų43.526%0.25522%0.219SC..  trans-65107.9-174.2-176.8-117.3000110.6Y713 D714 P720 E774 L791Y713-Y718 HydrophobicContact CD1-CD2 4.21Å; Y713-Y718 AromaticContact CD1-CE2 3.97Å; Y713-Y718 HydrophobicContact CD1-CE2 3.97Å; Y713-Y718 HydrophobicContact CD2-CE2 4.08Å; Y713-Y718 AromaticContact CG-CD2 3.93Å; Y713-Y718 HydrophobicContact CG-CD2 3.93Å; Y713-Y718 AromaticContact CG-CE2 3.71Å; Y713-Y718 HydrophobicContact CG-CE2 3.71Å; D714-Y718 VanDerWaalsContact O-CA 3.29Å; D714-Y718 WeakPolarHBondContact O-CA 3.35Å; D714-Y718 WeakPolarHBondContact O-CB 3.33Å; D714-Y718 PolarHBondContact O-N 2.98Å; Y718-P720 HydrophobicContact CE1-CB 4.35Å; Y718-P720 HydrophobicContact CE1-CG 3.91Å; Y718-P720 HydrophobicContact CE2-CB 4.3Å; Y718-P720 WeakPolarHBondContact OH-CB 3.17Å; Y718-E774 WeakPolarHBondContact OH-CG 3.48Å; Y718-E774 PolarHBondContact OH-OE1 3.42Å; Y718-L791 HydrophobicContact CD1-CD2 4.41Å; Y718-L791 HydrophobicContact CD2-CD2 3.34Å; Y718-L791 HydrophobicContact CE1-CD2 4.49Å; Y718-L791 HydrophobicContact CE2-CD2 3.48Å; Y718-L791 VanDerWaalsContact CE2-CD2 3.48Å; Y718-L791 HydrophobicContact CG-CD2 3.85Å
719N63.9Low78.1Confident64 Ų6442.8 Ų42.834%0.34222%0.215SC..  trans-132.299168.2-157.4-8.1000107.7N717 I721 Q722N717-N719 PolarHBondContact O-N 2.7Å; N719-I721 PolarHBondContact O-N 2.87Å; N719-Q722 PolarHBondContact O-N 3.39Å
720P53.6Low78.4Confident57 Ų5742.7 Ų42.737%0.3722%0.215SC..THydrogen-bonded Turntrans-57.4-18.5-172.712.1-22.1000113.5Y718Y718-P720 HydrophobicContact CE1-CB 4.35Å; Y718-P720 HydrophobicContact CE1-CG 3.91Å; Y718-P720 HydrophobicContact CE2-CB 4.3Å; Y718-P720 WeakPolarHBondContact OH-CB 3.17Å
721I53.4Low78.6Confident68 Ų6842.7 Ų42.735%0.34922%0.215SC..THydrogen-bonded Turntrans-95.2-15.6-167.9-60.4149.9000112.2R394 N719R394-I721 HydrophobicContact CG-CD1 3.91Å; R394-I721 HydrophobicContact CG-CG1 4.17Å; R394-I721 HydrophobicContact CG-CG2 3.65Å; N719-I721 PolarHBondContact O-N 2.87Å
722Q55Low78.7Confident136 Ų13642.8 Ų42.864%0.63622%0.215SC*.THydrogen-bonded Turntrans-132.1-25.3-165.3-78.3-175.2-31.400118.3N719N719-Q722 PolarHBondContact O-N 3.39Å
723S65.2Low78.6Confident71 Ų7143.2 Ų43.250%0.49722%0.218SC..  trans-164.3119.3177.549.20000112.8
724Y81.3Confident78.2Confident56 Ų5643.5 Ų43.522%0.2222%0.219CC..  trans-70.7149.6159.467.5-92000109.1I647 D648 L727I647-Y724 HydrophobicContact CG2-CD1 3.7Å; I647-Y724 HydrophobicContact CG2-CE1 3.97Å; I647-Y724 HydrophobicContact CG2-CG 4.34Å; D648-Y724 HydrophobicContact CB-CE1 3.72Å; D648-Y724 VanDerWaalsContact CB-OH 3.28Å; D648-Y724 WeakPolarHBondContact CB-OH 3.42Å; D648-Y724 PolarHBondContact OD2-OH 2.93Å; Y724-L727 HydrophobicContact CD2-CD1 4.09Å; Y724-L727 HydrophobicContact CD2-CD2 4.37Å; Y724-L727 HydrophobicContact CD2-CG 3.71Å; Y724-L727 HydrophobicContact CE1-CD1 4.23Å; Y724-L727 HydrophobicContact CE2-CD1 3.5Å; Y724-L727 HydrophobicContact CE2-CG 3.61Å; Y724-L727 HydrophobicContact CG-CG 4.36Å
725S86.8Confident77.6Confident25 Ų2545 Ų4518%0.17523%0.23CC..SBendtrans-94.7-32.8-177.8-59.60000112.4I712 D714 K746I712-S725 PolarHBondContact O-N 2.84Å; D714-S725 WeakPolarHBondContact CB-OG 3.45Å; D714-S725 PolarHBondContact N-OG 3.24Å; S725-K746 WeakPolarHBondContact O-CE 3.47Å; S725-K746 PolarHBondContact O-NZ 3.29Å
726A88.7Confident77.6Confident8 Ų844.5 Ų44.57%0.06623%0.233CC..EExtended strand (participates in β ladder)trans-150.2166.8171.100000110.5I712 I797 L803I712-A726 HydrophobicContact CB-CB 4.27Å; I712-A726 PolarHBondContact N-O 2.97Å; I712-A726 PolarHBondContact O-N 2.87Å; A726-I797 HydrophobicContact CB-CG2 4.08Å; A726-L803 HydrophobicContact CB-CD2 3.96Å
727L89.8Confident78.2Confident2 Ų240.5 Ų40.51%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-123.8137.3173.9-78.7164000109.3I647 D648 P711 Y724 V743 L744I647-L727 HydrophobicContact CG2-CD1 4.33Å; I647-L727 HydrophobicContact CG2-CD2 3.67Å; D648-L727 HydrophobicContact CB-CD1 4.24Å; D648-L727 VanDerWaalsContact CG-CD1 3.48Å; D648-L727 WeakPolarHBondContact OD1-CD1 3.47Å; D648-L727 WeakPolarHBondContact OD2-CD1 3.17Å; P711-L727 HydrophobicContact CB-CD2 4.03Å; Y724-L727 HydrophobicContact CD2-CD1 4.09Å; Y724-L727 HydrophobicContact CD2-CD2 4.37Å; Y724-L727 HydrophobicContact CD2-CG 3.71Å; Y724-L727 HydrophobicContact CE1-CD1 4.23Å; Y724-L727 HydrophobicContact CE2-CD1 3.5Å; Y724-L727 HydrophobicContact CE2-CG 3.61Å; Y724-L727 HydrophobicContact CG-CG 4.36Å; L727-V743 WeakPolarHBondContact O-CA 3.32Å; L727-L744 HydrophobicContact CB-CB 3.94Å; L727-L744 HydrophobicContact CB-CD1 4Å; L727-L744 HydrophobicContact CB-CG 4.46Å; L727-L744 PolarHBondContact O-N 3Å
728I92.7Very high79.2Confident0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-118.8125.7175.2-57.7-179.3000108.3C709 I710 I712 L730 A741 A742 V743 L803 L804 L807C709-I728 WeakPolarHBondContact CA-O 3.3Å; I710-I728 HydrophobicContact CD1-CB 4.37Å; I710-I728 HydrophobicContact CG1-CB 3.92Å; I710-I728 PolarHBondContact N-O 3.26Å; I710-I728 PolarHBondContact O-N 2.99Å; I712-I728 HydrophobicContact CD1-CD1 3.84Å; I712-I728 HydrophobicContact CD1-CG1 4.41Å; I712-I728 HydrophobicContact CG1-CD1 3.68Å; I712-I728 HydrophobicContact CG1-CG1 3.85Å; I728-L730 HydrophobicContact CG2-CD2 3.85Å; I728-L730 HydrophobicContact CG2-CG 4.43Å; I728-A741 HydrophobicContact CG2-CB 3.82Å; I728-A742 CarbonylContact C-O 3.58Å; I728-A742 WeakPolarHBondContact CA-O 3.39Å; I728-V743 HydrophobicContact CG1-CG2 4.39Å; I728-L803 HydrophobicContact CD1-CD1 4.43Å; I728-L803 HydrophobicContact CD1-CD2 3.94Å; I728-L803 HydrophobicContact CD1-CG 3.95Å; I728-L803 HydrophobicContact CG1-CD2 4.16Å; I728-L804 HydrophobicContact CG2-CD2 4.45Å; I728-L807 HydrophobicContact CD1-CD2 4.02Å; I728-L807 HydrophobicContact CG2-CD2 4.35Å
729L94.2Very high80.5Confident0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-87.9121.8167.6-178.766.7000109.1C652 V660 I662 I698 F700 A741 A742 L744C652-L729 HydrophobicContact CB-CD1 4.36Å; V660-L729 HydrophobicContact CB-CD2 4.42Å; V660-L729 HydrophobicContact CG1-CD2 3.92Å; I662-L729 HydrophobicContact CD1-CD2 4.36Å; I698-L729 HydrophobicContact CD1-CB 4.32Å; I698-L729 HydrophobicContact CD1-CD2 3.76Å; F700-L729 HydrophobicContact CE2-CD2 3.83Å; F700-L729 HydrophobicContact CE2-CG 4.39Å; F700-L729 HydrophobicContact CZ-CD2 4.02Å; F700-L729 HydrophobicContact CZ-CG 4.11Å; L729-A741 CarbonylContact O-C 3.58Å; L729-A741 VanDerWaalsContact O-CA 3.29Å; L729-A741 WeakPolarHBondContact O-CA 3.48Å; L729-A742 PolarHBondContact N-O 2.81Å; L729-A742 PolarHBondContact O-N 3.35Å; L729-L744 HydrophobicContact CB-CD1 4.3Å; L729-L744 HydrophobicContact CB-CG 4.3Å
730L94.8Very high82Confident1 Ų130.4 Ų30.41%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-101.5136173.7-58.2176.7000110.2L707 L708 I710 I728 L739 Y740 A741 L776 L807L707-L730 WeakPolarHBondContact CA-O 3.11Å; L708-L730 HydrophobicContact CB-CB 4.42Å; L708-L730 HydrophobicContact CD2-CD1 4.39Å; L708-L730 PolarHBondContact N-O 3.22Å; L708-L730 WeakPolarHBondContact O-CA 3.43Å; L708-L730 WeakPolarHBondContact O-CB 3.3Å; L708-L730 PolarHBondContact O-N 3.05Å; I710-L730 HydrophobicContact CD1-CD1 3.8Å; I710-L730 HydrophobicContact CD1-CG 4.26Å; I710-L730 HydrophobicContact CG1-CD1 4.17Å; I710-L730 HydrophobicContact CG1-CG 4.34Å; I710-L730 HydrophobicContact CG2-CD1 4.33Å; I728-L730 HydrophobicContact CG2-CD2 3.85Å; I728-L730 HydrophobicContact CG2-CG 4.43Å; L730-L739 HydrophobicContact CB-CD1 4.17Å; L730-Y740 CarbonylContact C-O 3.47Å; L730-Y740 VanDerWaalsContact CA-O 3.28Å; L730-Y740 WeakPolarHBondContact CA-O 3.45Å; L730-A741 HydrophobicContact CD2-CB 3.53Å; L730-L776 HydrophobicContact CD1-CD1 3.82Å; L730-L776 HydrophobicContact CD1-CD2 3.72Å; L730-L776 HydrophobicContact CD1-CG 4.42Å; L730-L807 HydrophobicContact CD2-CD2 4.2Å
731G93Very high83.9Confident0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-121.5116171.300000110.1Y740G731-Y740 PolarHBondContact N-O 2.75Å; G731-Y740 PolarHBondContact O-N 2.93Å
732F91.2Very high85.8Confident2 Ų224.4 Ų24.41%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-100.5116.7177.6178.5-146.1000110.6C704 D705 Q706 K734 C738 L739 C766 L769C704-F732 CarbonylContact C-O 3.51Å; C704-F732 WeakPolarHBondContact CA-O 3.41Å; D705-F732 PolarHBondContact N-O 2.86Å; Q706-F732 HydrophobicContact CB-CB 4.43Å; Q706-F732 PolarHBondContact N-O 3.12Å; Q706-F732 PolarHBondContact O-N 3.23Å; F732-K734 HydrophobicContact CD1-CG 3.76Å; F732-K734 HydrophobicContact CE1-CB 4.44Å; F732-K734 HydrophobicContact CE1-CD 4.36Å; F732-K734 HydrophobicContact CE1-CG 3.4Å; F732-K734 VanDerWaalsContact CE1-CG 3.4Å; F732-K734 HydrophobicContact CE2-CG 4.47Å; F732-K734 HydrophobicContact CG-CG 4.46Å; F732-K734 HydrophobicContact CZ-CB 4.38Å; F732-K734 HydrophobicContact CZ-CG 3.79Å; F732-C738 WeakPolarHBondContact CD2-O 3.01Å; F732-L739 HydrophobicContact CB-CD1 3.9Å; F732-C766 HydrophobicContact CD2-CB 4Å; F732-C766 HydrophobicContact CE2-CB 3.61Å; F732-C766 VanDerWaalsContact CE2-O 3.25Å; F732-C766 WeakPolarHBondContact CE2-O 3.46Å; F732-C766 HydrophobicContact CZ-CB 4.24Å; F732-C766 VanDerWaalsContact CZ-O 3.3Å; F732-C766 WeakPolarHBondContact CZ-O 3.32Å; F732-L769 HydrophobicContact CB-CD2 3.49Å; F732-L769 VanDerWaalsContact CB-CD2 3.49Å; F732-L769 HydrophobicContact CD1-CD2 3.51Å; F732-L769 HydrophobicContact CD2-CD2 4.44Å; F732-L769 HydrophobicContact CE1-CD2 4.33Å; F732-L769 HydrophobicContact CG-CD2 3.57Å
733N86.8Confident87.5Confident9 Ų919 Ų195%0.04811%0.111CC..EExtended strand (participates in β ladder)trans-92.1106.5167.4-176.6-24.1000108.5S702 Y703 S735 T736 H737 C738 Y740S702-N733 PolarHBondContact OG-ND2 3.49Å; Y703-N733 PolarHBondContact O-ND2 2.95Å; Y703-N733 VanDerWaalsContact O-ND2 3.16Å; N733-S735 VanDerWaalsContact C-N 3.26Å; N733-S735 PolarHBondContact O-N 3.45Å; N733-S735 PolarHBondContact OD1-N 2.99Å; N733-S735 PolarHBondContact OD1-OG 2.83Å; N733-T736 VanDerWaalsContact CG-OG1 3.31Å; N733-T736 PolarHBondContact OD1-N 3.2Å; N733-H737 WeakPolarHBondContact O-CA 3.42Å; N733-H737 PolarHBondContact O-N 2.75Å; N733-H737 VanDerWaalsContact O-N 3.1Å; N733-C738 PolarHBondContact N-O 3.05Å; N733-C738 PolarHBondContact O-N 3.26Å; N733-Y740 HydrophobicContact CB-CE2 4.14Å
734K79.1Confident88.6Confident15 Ų1516 Ų167%0.0659%0.089CC..THydrogen-bonded Turntrans-67.8-28.6-177.6-73.4178.5174.3-174.80112.4D349 L350 N382 M383 D705 F732D349-K734 HydrophobicContact CB-CD 4.36Å; L350-K734 HydrophobicContact CD1-CB 4.18Å; N382-K734 PolarHBondContact O-NZ 3.24Å; M383-K734 PolarHBondContact SD-NZ 3.2Å; M383-K734 VanDerWaalsContact SD-NZ 3.43Å; D705-K734 HydrophobicContact CB-CB 4.49Å; D705-K734 HydrophobicContact CB-CD 4Å; D705-K734 HydrophobicContact CB-CG 4.06Å; D705-K734 WeakPolarHBondContact OD2-CB 3.43Å; D705-K734 PolarHBondContact OD2-N 2.96Å; F732-K734 HydrophobicContact CD1-CG 3.76Å; F732-K734 HydrophobicContact CE1-CB 4.44Å; F732-K734 HydrophobicContact CE1-CD 4.36Å; F732-K734 HydrophobicContact CE1-CG 3.4Å; F732-K734 VanDerWaalsContact CE1-CG 3.4Å; F732-K734 HydrophobicContact CE2-CG 4.47Å; F732-K734 HydrophobicContact CG-CG 4.46Å; F732-K734 HydrophobicContact CZ-CB 4.38Å; F732-K734 HydrophobicContact CZ-CG 3.79Å
735S73.2Confident88.6Confident44 Ų4415.6 Ų15.631%0.3089%0.093SC..THydrogen-bonded Turntrans-70.1-39.7-177.365.50000113T348 N733T348-S735 VanDerWaalsContact CG2-O 3.24Å; T348-S735 WeakPolarHBondContact CG2-O 3.34Å; N733-S735 VanDerWaalsContact C-N 3.26Å; N733-S735 PolarHBondContact O-N 3.45Å; N733-S735 PolarHBondContact OD1-N 2.99Å; N733-S735 PolarHBondContact OD1-OG 2.83Å
736T79.5Confident88Confident66 Ų6620 Ų2041%0.40511%0.109SC..THydrogen-bonded Turntrans-98.5-1.4-178.263.20000112.8N733 C738N733-T736 VanDerWaalsContact CG-OG1 3.31Å; N733-T736 PolarHBondContact OD1-N 3.2Å; T736-C738 VanDerWaalsContact CB-SG 3.58Å; T736-C738 PolarHBondContact O-N 3.45Å; T736-C738 VanDerWaalsContact O-N 3.11Å; T736-C738 PolarHBondContact O-SG 3.43Å; T736-C738 VanDerWaalsContact OG1-CB 3.29Å; T736-C738 WeakPolarHBondContact OG1-CB 3Å; T736-C738 PolarHBondContact OG1-N 3.46Å; T736-C738 PolarHBondContact OG1-SG 3.15Å
737H85.5Confident86.9Confident46 Ų4623.1 Ų23.121%0.21312%0.124CC..THydrogen-bonded Turntrans57.116.9-169.9-63.8-68.3000114.1N733 D764 S765 C766N733-H737 WeakPolarHBondContact O-CA 3.42Å; N733-H737 PolarHBondContact O-N 2.75Å; N733-H737 VanDerWaalsContact O-N 3.1Å; H737-D764 CarbonylContact O-C 3.33Å; H737-S765 PolarHBondContact O-N 2.88Å; H737-C766 WeakPolarHBondContact CA-O 3.47Å; H737-C766 VanDerWaalsContact CB-O 3.24Å; H737-C766 WeakPolarHBondContact CB-O 3.41Å; H737-C766 PolarHBondContact ND1-O 3.34Å; H737-C766 WeakPolarHBondContact O-CB 3.48Å; H737-C766 PolarHBondContact O-N 3.49Å
738C89.8Confident85.2Confident13 Ų1330.5 Ų30.59%0.08816%0.163CC..EExtended strand (participates in β ladder)trans-85128.1-178.6-610000111F732 N733 T736 Y740 T763 D764F732-C738 WeakPolarHBondContact CD2-O 3.01Å; N733-C738 PolarHBondContact N-O 3.05Å; N733-C738 PolarHBondContact O-N 3.26Å; T736-C738 VanDerWaalsContact CB-SG 3.58Å; T736-C738 PolarHBondContact O-N 3.45Å; T736-C738 VanDerWaalsContact O-N 3.11Å; T736-C738 PolarHBondContact O-SG 3.43Å; T736-C738 VanDerWaalsContact OG1-CB 3.29Å; T736-C738 WeakPolarHBondContact OG1-CB 3Å; T736-C738 PolarHBondContact OG1-N 3.46Å; T736-C738 PolarHBondContact OG1-SG 3.15Å; C738-Y740 HydrophobicContact CB-CD2 4.47Å; C738-Y740 HydrophobicContact CB-CE1 4.26Å; C738-Y740 HydrophobicContact CB-CE2 3.76Å; C738-T763 CarbonylContact C-O 3.42Å; C738-T763 WeakPolarHBondContact CA-O 3.47Å; C738-D764 PolarHBondContact SG-OD1 3.37Å
739L93.3Very high83.1Confident0 Ų034.9 Ų34.90%019%0.19CC..EExtended strand (participates in β ladder)trans-106.9114.2169.1-176.164.8000109.2L730 F732 N761 I762 T763 C766 L769 L811L730-L739 HydrophobicContact CB-CD1 4.17Å; F732-L739 HydrophobicContact CB-CD1 3.9Å; L739-N761 PolarHBondContact O-OD1 3.42Å; L739-I762 WeakPolarHBondContact O-CB 3.45Å; L739-I762 PolarHBondContact O-N 3.19Å; L739-T763 HydrophobicContact CB-CG2 3.64Å; L739-T763 HydrophobicContact CD2-CG2 4.13Å; L739-T763 HydrophobicContact CG-CG2 4.5Å; L739-T763 PolarHBondContact N-O 3.24Å; L739-T763 PolarHBondContact O-N 3.38Å; L739-C766 HydrophobicContact CB-CB 4.02Å; L739-L769 HydrophobicContact CD1-CD2 3.93Å; L739-L811 HydrophobicContact CD2-CD1 4.18Å
740Y94.5Very high80.4Confident19 Ų1938.5 Ų38.58%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-98.2153.5176.1-55.5-76.9000111F700 P701 S702 L730 G731 N733 C738 L760 N761F700-Y740 HydrophobicContact CD1-CD2 4.13Å; F700-Y740 AromaticContact CD1-CG 3.93Å; F700-Y740 HydrophobicContact CD1-CG 3.93Å; F700-Y740 VanDerWaalsContact CE1-CB 3.42Å; F700-Y740 HydrophobicContact CE1-CG 4.46Å; P701-Y740 HydrophobicContact CB-CE1 3.95Å; P701-Y740 HydrophobicContact CG-CD1 3.81Å; P701-Y740 HydrophobicContact CG-CE1 3.59Å; S702-Y740 VanDerWaalsContact OG-CE2 3.27Å; S702-Y740 WeakPolarHBondContact OG-CE2 3.47Å; S702-Y740 PolarHBondContact OG-OH 3.43Å; S702-Y740 VanDerWaalsContact OG-OH 3.09Å; L730-Y740 CarbonylContact C-O 3.47Å; L730-Y740 VanDerWaalsContact CA-O 3.28Å; L730-Y740 WeakPolarHBondContact CA-O 3.45Å; G731-Y740 PolarHBondContact N-O 2.75Å; G731-Y740 PolarHBondContact O-N 2.93Å; N733-Y740 HydrophobicContact CB-CE2 4.14Å; C738-Y740 HydrophobicContact CB-CD2 4.47Å; C738-Y740 HydrophobicContact CB-CE1 4.26Å; C738-Y740 HydrophobicContact CB-CE2 3.76Å; Y740-L760 CarbonylContact C-O 3.47Å; Y740-L760 WeakPolarHBondContact CA-O 3.45Å; Y740-N761 HydrophobicContact CD1-CB 3.81Å; Y740-N761 HydrophobicContact CE1-CB 3.84Å
741A94.8Very high77.9Confident0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-141.7145.2177.500000112.7I728 L729 L730 A759 L760 I762 L804 L807I728-A741 HydrophobicContact CG2-CB 3.82Å; L729-A741 CarbonylContact O-C 3.58Å; L729-A741 VanDerWaalsContact O-CA 3.29Å; L729-A741 WeakPolarHBondContact O-CA 3.48Å; L730-A741 HydrophobicContact CD2-CB 3.53Å; A741-A759 WeakPolarHBondContact O-CA 3.42Å; A741-L760 PolarHBondContact N-O 2.87Å; A741-L760 PolarHBondContact O-N 2.88Å; A741-I762 HydrophobicContact CB-CD1 3.88Å; A741-I762 HydrophobicContact CB-CG1 3.39Å; A741-L804 HydrophobicContact CB-CD2 3.67Å; A741-L807 HydrophobicContact CB-CD2 4.12Å
742A92.9Very high75.6Confident0 Ų052.5 Ų52.50%029%0.291CS..EExtended strand (participates in β ladder)trans-140.1137.8173.900000110.5I698 I728 L729 I757 A759I698-A742 HydrophobicContact CD1-CB 3.86Å; I698-A742 HydrophobicContact CG1-CB 4.48Å; I698-A742 HydrophobicContact CG2-CB 3.76Å; I728-A742 CarbonylContact C-O 3.58Å; I728-A742 WeakPolarHBondContact CA-O 3.39Å; L729-A742 PolarHBondContact N-O 2.81Å; L729-A742 PolarHBondContact O-N 3.35Å; A742-I757 HydrophobicContact CB-CG2 4.06Å; A742-A759 HydrophobicContact CB-CB 4.08Å
743V91.1Very high73.7Confident23 Ų2357.9 Ų57.914%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-82.8129.3177.2-174.70000109.5L727 I728 P800 L803 L804L727-V743 WeakPolarHBondContact O-CA 3.32Å; I728-V743 HydrophobicContact CG1-CG2 4.39Å; V743-P800 HydrophobicContact CB-CB 3.84Å; V743-P800 HydrophobicContact CG1-CB 4.16Å; V743-P800 HydrophobicContact CG2-CB 3.79Å; V743-L803 HydrophobicContact CG1-CD2 4.3Å; V743-L803 HydrophobicContact CG2-CD2 4Å; V743-L804 HydrophobicContact CG2-CD1 4.15Å; V743-L804 HydrophobicContact CG2-CD2 3.97Å; V743-L804 HydrophobicContact CG2-CG 3.78Å
744L88.1Confident72Confident7 Ų761.8 Ų61.84%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-85.7134.1179.4-70.2171.3000111.6T646 I662 I698 L727 L729T646-L744 HydrophobicContact CG2-CD1 3.95Å; I662-L744 HydrophobicContact CD1-CD2 3.13Å; I698-L744 HydrophobicContact CD1-CD2 3.63Å; L727-L744 HydrophobicContact CB-CB 3.94Å; L727-L744 HydrophobicContact CB-CD1 4Å; L727-L744 HydrophobicContact CB-CG 4.46Å; L727-L744 PolarHBondContact O-N 3Å; L729-L744 HydrophobicContact CB-CD1 4.3Å; L729-L744 HydrophobicContact CB-CG 4.3Å
745P80.3Confident70.9Confident47 Ų4765.1 Ų65.131%0.30535%0.352SS..PPolyproline II helixtrans-65.1150.5172.825.3-30.5000111.2R650 C696R650-P745 PolarHBondContact NH1-O 3.44Å; R650-P745 PolarHBondContact NH2-O 3.19Å; C696-P745 HydrophobicContact CB-CG 4.32Å
746K75.6Confident70.6Confident118 Ų11868.8 Ų68.851%0.51337%0.368SS..PPolyproline II helixtrans-76.2145.9175.5-70.7-174.6179.31780110.7S725 N748S725-K746 WeakPolarHBondContact O-CE 3.47Å; S725-K746 PolarHBondContact O-NZ 3.29Å; K746-N748 PolarHBondContact O-N 3.02Å
747I64.5Low70.4Confident74 Ų7467.6 Ų67.638%0.37936%0.359SS..THydrogen-bonded Turntrans-61.8-26-174.7-64.3169.2000113.5D648 R650 T749D648-I747 HydrophobicContact CB-CD1 4.09Å; D648-I747 WeakPolarHBondContact OD2-CD1 3.4Å; R650-I747 HydrophobicContact CG-CD1 4.23Å; I747-T749 PolarHBondContact O-N 3.23Å
748N53.9Low70.1Confident157 Ų15771.8 Ų71.884%0.8438%0.382SS*.THydrogen-bonded Turntrans-82.25.7-169-71.3-4.5000116.4K746 G750K746-N748 PolarHBondContact O-N 3.02Å; N748-G750 PolarHBondContact O-N 2.98Å
749T48Very low70Confident91 Ų9171.4 Ų71.456%0.55838%0.38SS*.  trans-83.5100.6168.951.50000108.4I747 H751I747-T749 PolarHBondContact O-N 3.23Å; T749-H751 PolarHBondContact O-N 3.35Å
750G38.2Very low69.9Low76 Ų7675.1 Ų75.178%0.78440%0.399SS*.  trans-64.133.3-17700000116.7N748N748-G750 PolarHBondContact O-N 2.98Å
751H41.7Very low69.7Low158 Ų15876.7 Ų76.773%0.73141%0.408SS*.SBendtrans-137.7127.7170-75.5-63.4000109.5T749 Q753T749-H751 PolarHBondContact O-N 3.35Å; H751-Q753 PolarHBondContact O-N 3.49Å
752F45.6Very low69.5Low138 Ų13877 Ų7761%0.60541%0.41SS*.  trans-44.8100161.1-134.8-95.4000108.2L694L694-F752 HydrophobicContact CB-CZ 4.19Å; L694-F752 WeakPolarHBondContact O-CE2 3.35Å; L694-F752 WeakPolarHBondContact O-CZ 3.41Å
753Q50.4Low69.4Low114 Ų11478.1 Ų78.153%0.53342%0.417SS..  trans-104.994170.3-82.8-165.6-12.100107.1H751 N755H751-Q753 PolarHBondContact O-N 3.49Å; Q753-N755 PolarHBondContact O-N 2.6Å; Q753-N755 PolarHBondContact OE1-ND2 2.74Å
754Q52.2Low69.3Low91 Ų9181.7 Ų81.743%0.42544%0.435SS..  trans-7067.9168.6-134.8-179.61.100108.6
755N56.2Low69.2Low86 Ų8682.6 Ų82.646%0.4644%0.442SS..  trans-87.5114.9172-68.7-15.2000106.8I697 Q753 I757I697-N755 VanDerWaalsContact O-O 3.12Å; Q753-N755 PolarHBondContact O-N 2.6Å; Q753-N755 PolarHBondContact OE1-ND2 2.74Å; N755-I757 VanDerWaalsContact C-N 3.32Å; N755-I757 HydrophobicContact CB-CG1 4.32Å; N755-I757 PolarHBondContact O-N 2.67Å
756N65.4Low69.7Low120 Ų12080.3 Ų80.364%0.64243%0.428SS*.EExtended strand (participates in β ladder)trans-68.993.2167-77.5-15.5000108I758N756-I758 PolarHBondContact O-N 3.33Å
757I76.2Confident70.2Confident42 Ų4275.4 Ų75.422%0.21541%0.408CS..EExtended strand (participates in β ladder)trans-80121.1178.2-60169.3000107.6I697 I698 Q699 A742 N755I697-I757 PolarHBondContact O-N 2.89Å; I698-I757 CarbonylContact C-O 3.49Å; I698-I757 WeakPolarHBondContact CA-O 3.49Å; I698-I757 HydrophobicContact CG1-CB 4.18Å; Q699-I757 PolarHBondContact N-O 3.12Å; A742-I757 HydrophobicContact CB-CG2 4.06Å; N755-I757 VanDerWaalsContact C-N 3.32Å; N755-I757 HydrophobicContact CB-CG1 4.32Å; N755-I757 PolarHBondContact O-N 2.67Å
758I80Confident71.4Confident134 Ų13472.6 Ų72.669%0.68740%0.395SS*.EExtended strand (participates in β ladder)trans-87124.5174.8-57.3174.6000107.9N756N756-I758 PolarHBondContact O-N 3.33Å
759A86.9Confident73.2Confident5 Ų565.7 Ų65.74%0.04136%0.358CS..PPolyproline II helixtrans-70.5138.7176.100000111.2I698 Q699 F700 A741 A742I698-A759 HydrophobicContact CG2-CB 4.28Å; Q699-A759 PolarHBondContact O-N 3.14Å; F700-A759 HydrophobicContact CD1-CB 3.33Å; F700-A759 HydrophobicContact CE1-CB 3.41Å; F700-A759 VanDerWaalsContact CE1-CB 3.41Å; F700-A759 HydrophobicContact CG-CB 4.03Å; F700-A759 HydrophobicContact CZ-CB 4.16Å; A741-A759 WeakPolarHBondContact O-CA 3.42Å; A742-A759 HydrophobicContact CB-CB 4.08Å
760L90.7Very high75.2Confident77 Ų7762 Ų6240%0.40334%0.335SS..EExtended strand (participates in β ladder)trans-88.9141.5176.6-16880.1000109.8Y740 A741 I762 L804 L808Y740-L760 CarbonylContact C-O 3.47Å; Y740-L760 WeakPolarHBondContact CA-O 3.45Å; A741-L760 PolarHBondContact N-O 2.87Å; A741-L760 PolarHBondContact O-N 2.88Å; L760-I762 HydrophobicContact CB-CD1 4.33Å; L760-I762 HydrophobicContact CD2-CD1 3.88Å; L760-I762 HydrophobicContact CG-CD1 4.4Å; L760-L804 HydrophobicContact CB-CD1 4.2Å; L760-L804 HydrophobicContact CD2-CB 4.08Å; L760-L808 HydrophobicContact CD2-CD1 4.42Å
761N90.9Very high77.4Confident52 Ų5258.4 Ų58.428%0.27830%0.298SS..EExtended strand (participates in β ladder)trans-75.4125167.3-170.1-5.4000110.4L739 Y740 T763 D764L739-N761 PolarHBondContact O-OD1 3.42Å; Y740-N761 HydrophobicContact CD1-CB 3.81Å; Y740-N761 HydrophobicContact CE1-CB 3.84Å; N761-T763 PolarHBondContact OD1-N 2.98Å; N761-T763 PolarHBondContact OD1-O 2.95Å; N761-D764 PolarHBondContact ND2-OD1 3.38Å
762I91.1Very high79.4Confident8 Ų851.3 Ų51.34%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-104.1-31.8-175.5-55.3-63.8000111.8L739 A741 L760 L804 L807 L808 L811L739-I762 WeakPolarHBondContact O-CB 3.45Å; L739-I762 PolarHBondContact O-N 3.19Å; A741-I762 HydrophobicContact CB-CD1 3.88Å; A741-I762 HydrophobicContact CB-CG1 3.39Å; L760-I762 HydrophobicContact CB-CD1 4.33Å; L760-I762 HydrophobicContact CD2-CD1 3.88Å; L760-I762 HydrophobicContact CG-CD1 4.4Å; I762-L804 HydrophobicContact CD1-CB 4.39Å; I762-L804 HydrophobicContact CD1-CD2 4.27Å; I762-L807 HydrophobicContact CG1-CD2 4.46Å; I762-L807 HydrophobicContact CG2-CD2 4.43Å; I762-L807 HydrophobicContact CG2-CG 4.11Å; I762-L808 HydrophobicContact CD1-CB 4.3Å; I762-L808 HydrophobicContact CG2-CB 4.1Å; I762-L811 HydrophobicContact CB-CD1 4.49Å; I762-L811 HydrophobicContact CG2-CB 4.31Å; I762-L811 HydrophobicContact CG2-CD1 3.4Å; I762-L811 VanDerWaalsContact CG2-CD1 3.4Å; I762-L811 HydrophobicContact CG2-CG 4.44Å
763T89.9Confident80.9Confident23 Ų2346 Ų4614%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-160.8142.3174.5179.30000111.6C738 L739 N761 S765 C766C738-T763 CarbonylContact C-O 3.42Å; C738-T763 WeakPolarHBondContact CA-O 3.47Å; L739-T763 HydrophobicContact CB-CG2 3.64Å; L739-T763 HydrophobicContact CD2-CG2 4.13Å; L739-T763 HydrophobicContact CG-CG2 4.5Å; L739-T763 PolarHBondContact N-O 3.24Å; L739-T763 PolarHBondContact O-N 3.38Å; N761-T763 PolarHBondContact OD1-N 2.98Å; N761-T763 PolarHBondContact OD1-O 2.95Å; T763-S765 PolarHBondContact OG1-N 3.39Å; T763-C766 HydrophobicContact CG2-CB 4.16Å
764D88.3Confident82.3Confident97 Ų9741.5 Ų41.552%0.51922%0.224SC..SBendtrans-99.314.4176.7-63.7-43.7000113.2H737 C738 N761H737-D764 CarbonylContact O-C 3.33Å; C738-D764 PolarHBondContact SG-OD1 3.37Å; N761-D764 PolarHBondContact ND2-OD1 3.38Å
765S88Confident84.1Confident26 Ų2637.6 Ų37.618%0.18221%0.206CC..  trans-125.69-172.2-63.30000113.1H737 T763 S767 N780 V781H737-S765 PolarHBondContact O-N 2.88Å; T763-S765 PolarHBondContact OG1-N 3.39Å; S765-S767 PolarHBondContact O-N 3.09Å; S765-N780 CarbonylContact O-C 3.59Å; S765-N780 WeakPolarHBondContact O-CA 3.35Å; S765-N780 WeakPolarHBondContact O-CB 3.15Å; S765-V781 PolarHBondContact O-N 3.32Å
766C89.1Confident85.8Confident0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-67.7131-178.2-174.50000111F732 H737 L739 T763 V778F732-C766 HydrophobicContact CD2-CB 4Å; F732-C766 HydrophobicContact CE2-CB 3.61Å; F732-C766 VanDerWaalsContact CE2-O 3.25Å; F732-C766 WeakPolarHBondContact CE2-O 3.46Å; F732-C766 HydrophobicContact CZ-CB 4.24Å; F732-C766 VanDerWaalsContact CZ-O 3.3Å; F732-C766 WeakPolarHBondContact CZ-O 3.32Å; H737-C766 WeakPolarHBondContact CA-O 3.47Å; H737-C766 VanDerWaalsContact CB-O 3.24Å; H737-C766 WeakPolarHBondContact CB-O 3.41Å; H737-C766 PolarHBondContact ND1-O 3.34Å; H737-C766 WeakPolarHBondContact O-CB 3.48Å; H737-C766 PolarHBondContact O-N 3.49Å; L739-C766 HydrophobicContact CB-CB 4.02Å; T763-C766 HydrophobicContact CG2-CB 4.16Å; C766-V778 HydrophobicContact CB-CG1 4.34Å
767S87.2Confident87.1Confident15 Ų1527.8 Ų27.811%0.10515%0.153CC..EExtended strand (participates in β ladder)trans-113.2-36.617757.20000112.4S765 T779 N780S765-S767 PolarHBondContact O-N 3.09Å; S767-T779 PolarHBondContact N-O 3.06Å; S767-T779 WeakPolarHBondContact OG-CB 3.22Å; S767-T779 PolarHBondContact OG-O 3.47Å; S767-T779 PolarHBondContact OG-OG1 3.42Å; S767-N780 PolarHBondContact OG-N 3.16Å
768S89.9Confident88Confident14 Ų1425.9 Ų25.910%0.09814%0.143CC..EExtended strand (participates in β ladder)trans-156.8157.9170.374.30000110V778 T779 I842S768-V778 WeakPolarHBondContact O-CA 3.45Å; S768-T779 PolarHBondContact N-O 3.25Å; S768-T779 PolarHBondContact N-OG1 3.04Å; S768-T779 VanDerWaalsContact N-OG1 3.12Å; S768-T779 PolarHBondContact O-N 3Å; S768-T779 PolarHBondContact O-OG1 3.49Å; S768-T779 PolarHBondContact OG-OG1 2.89Å; S768-I842 WeakPolarHBondContact OG-CG1 3.32Å; S768-I842 PolarHBondContact OG-N 2.92Å
769L91.6Very high88.5Confident12 Ų1219.5 Ų19.56%0.06311%0.111CC..EExtended strand (participates in β ladder)trans-147152.1178.468.9116.3000112.4L708 F732 L739 L776 I777 V778L708-L769 HydrophobicContact CB-CD1 4.13Å; L708-L769 HydrophobicContact CD2-CD1 3.44Å; L708-L769 VanDerWaalsContact CD2-CD1 3.44Å; L708-L769 HydrophobicContact CG-CD1 4.42Å; F732-L769 HydrophobicContact CB-CD2 3.49Å; F732-L769 VanDerWaalsContact CB-CD2 3.49Å; F732-L769 HydrophobicContact CD1-CD2 3.51Å; F732-L769 HydrophobicContact CD2-CD2 4.44Å; F732-L769 HydrophobicContact CE1-CD2 4.33Å; F732-L769 HydrophobicContact CG-CD2 3.57Å; L739-L769 HydrophobicContact CD1-CD2 3.93Å; L769-L776 HydrophobicContact CD1-CD1 4.18Å; L769-I777 CarbonylContact C-O 3.54Å; L769-I777 VanDerWaalsContact CA-O 3.23Å; L769-I777 WeakPolarHBondContact CA-O 3.2Å; L769-V778 HydrophobicContact CB-CG2 4.21Å
770I88.7Confident88.6Confident14 Ų1419.5 Ų19.57%0.07211%0.11CC..EExtended strand (participates in β ladder)trans-143.5139.9169.7-164.9165.4000109.8C388 I777 I842 A845C388-I770 HydrophobicContact CB-CD1 4.37Å; I770-I777 HydrophobicContact CG2-CB 3.9Å; I770-I777 HydrophobicContact CG2-CD1 4.22Å; I770-I777 HydrophobicContact CG2-CG1 4.44Å; I770-I777 PolarHBondContact N-O 2.94Å; I770-I777 PolarHBondContact O-N 3.14Å; I770-I842 HydrophobicContact CB-CG2 4.23Å; I770-I842 HydrophobicContact CG2-CD1 4.14Å; I770-I842 HydrophobicContact CG2-CG2 3.89Å; I770-A845 HydrophobicContact CD1-CB 4.1Å; I770-A845 HydrophobicContact CG2-CB 3.89Å
771G85.5Confident88.2Confident1 Ų118.4 Ų18.41%0.0111%0.106CC..EExtended strand (participates in β ladder)trans-86.9146.2171.100000111.1L462L462-G771 VanDerWaalsContact CD2-C 3.47Å; L462-G771 VanDerWaalsContact CD2-O 3.24Å; L462-G771 WeakPolarHBondContact CD2-O 3.18Å
772L83.3Confident87.8Confident9 Ų920.1 Ų20.15%0.04712%0.116CC..  trans-126.6175.7163.3-63.8179.1000108.1E774 F775 I777 A845 L869L772-E774 VanDerWaalsContact C-N 3.34Å; L772-E774 PolarHBondContact O-N 3.39Å; L772-F775 WeakPolarHBondContact CA-O 3.45Å; L772-F775 HydrophobicContact CB-CB 4.46Å; L772-F775 WeakPolarHBondContact CB-O 3.24Å; L772-F775 PolarHBondContact N-O 3.44Å; L772-I777 HydrophobicContact CD1-CD1 3.62Å; L772-I777 HydrophobicContact CD1-CG1 4.39Å; L772-I777 HydrophobicContact CG-CD1 4.27Å; L772-A845 HydrophobicContact CD1-CB 4.35Å; L772-A845 HydrophobicContact CD2-CB 4.05Å; L772-A845 HydrophobicContact CG-CB 4.48Å; L772-L869 HydrophobicContact CD1-CD1 4.31Å; L772-L869 HydrophobicContact CD1-CD2 3.97Å
773S76.5Confident87.6Confident27 Ų2725.3 Ų25.319%0.18914%0.138CC..SBendtrans-59.8-41.3-17948.60000113.5Y713Y713-S773 VanDerWaalsContact CE2-O 3.28Å; Y713-S773 WeakPolarHBondContact CE2-O 3.37Å
774E81.1Confident87.5Confident18 Ų1824.6 Ų24.68%0.08413%0.133CC..SBendtrans-113.4-6.8-174.9-74.5164.6-165.400113.3Y718 L772 L790 K876Y718-E774 WeakPolarHBondContact OH-CG 3.48Å; Y718-E774 PolarHBondContact OH-OE1 3.42Å; L772-E774 VanDerWaalsContact C-N 3.34Å; L772-E774 PolarHBondContact O-N 3.39Å; E774-L790 WeakPolarHBondContact O-CB 3.18Å; E774-L790 PolarHBondContact O-N 3.45Å; E774-K876 WeakPolarHBondContact OE1-CE 3.4Å; E774-K876 IonicContact OE1-NZ 3.8Å; E774-K876 PolarHBondContact OE1-NZ 2.92Å; E774-K876 WeakPolarHBondContact OE2-CE 3.5Å; E774-K876 IonicContact OE2-NZ 3.72Å; E774-K876 PolarHBondContact OE2-NZ 2.87Å
775F89.4Confident87.7Confident9 Ų920 Ų204%0.03911%0.108CC..EExtended strand (participates in β ladder)trans-138.8141.2-172.7-68.9-87.1000111.9L772 C787 V788 A868 L869 A872 F945L772-F775 WeakPolarHBondContact CA-O 3.45Å; L772-F775 HydrophobicContact CB-CB 4.46Å; L772-F775 WeakPolarHBondContact CB-O 3.24Å; L772-F775 PolarHBondContact N-O 3.44Å; F775-C787 HydrophobicContact CD1-CB 4.15Å; F775-V788 CarbonylContact C-O 3.49Å; F775-V788 VanDerWaalsContact CA-O 3.24Å; F775-V788 WeakPolarHBondContact CA-O 3.31Å; F775-A868 HydrophobicContact CE1-CB 4.11Å; F775-L869 HydrophobicContact CB-CD2 4.22Å; F775-L869 HydrophobicContact CD2-CD2 3.57Å; F775-L869 HydrophobicContact CE2-CD2 4.08Å; F775-L869 HydrophobicContact CG-CD2 3.85Å; F775-A872 HydrophobicContact CE2-CB 3.51Å; F775-A872 HydrophobicContact CZ-CB 3.84Å; F775-F945 HydrophobicContact CE1-CE2 4.44Å; F775-F945 HydrophobicContact CZ-CE2 4.06Å; F775-F945 HydrophobicContact CZ-CZ 4.29Å
776L92.4Very high87.9Confident0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-98.2124.9156.917373000107.5L708 I710 L730 L769 V778 V788 L790L708-L776 HydrophobicContact CD2-CD1 3.92Å; I710-L776 HydrophobicContact CD1-CD2 4.3Å; I710-L776 HydrophobicContact CG2-CD1 4.42Å; L730-L776 HydrophobicContact CD1-CD1 3.82Å; L730-L776 HydrophobicContact CD1-CD2 3.72Å; L730-L776 HydrophobicContact CD1-CG 4.42Å; L769-L776 HydrophobicContact CD1-CD1 4.18Å; L776-V778 HydrophobicContact CD1-CG2 4.39Å; L776-V778 HydrophobicContact CD2-CG2 3.89Å; L776-V778 HydrophobicContact CG-CG2 3.8Å; L776-V788 HydrophobicContact CB-CB 4.23Å; L776-V788 PolarHBondContact N-O 3.26Å; L776-V788 PolarHBondContact O-N 3.23Å; L776-L790 HydrophobicContact CB-CD2 4.06Å
777I93.2Very high88Confident0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-105.3124.9176.6-54.6174.4000108.1L769 I770 L772 L785 I786 I842 A845 V852 L869L769-I777 CarbonylContact C-O 3.54Å; L769-I777 VanDerWaalsContact CA-O 3.23Å; L769-I777 WeakPolarHBondContact CA-O 3.2Å; I770-I777 HydrophobicContact CG2-CB 3.9Å; I770-I777 HydrophobicContact CG2-CD1 4.22Å; I770-I777 HydrophobicContact CG2-CG1 4.44Å; I770-I777 PolarHBondContact N-O 2.94Å; I770-I777 PolarHBondContact O-N 3.14Å; L772-I777 HydrophobicContact CD1-CD1 3.62Å; L772-I777 HydrophobicContact CD1-CG1 4.39Å; L772-I777 HydrophobicContact CG-CD1 4.27Å; I777-L785 HydrophobicContact CG2-CD1 3.73Å; I777-L785 HydrophobicContact CG2-CD2 3.87Å; I777-L785 HydrophobicContact CG2-CG 3.71Å; I777-I786 WeakPolarHBondContact CA-O 3.4Å; I777-I842 HydrophobicContact CB-CD1 4.33Å; I777-I842 HydrophobicContact CG2-CD1 3.77Å; I777-A845 HydrophobicContact CD1-CB 4.17Å; I777-V852 HydrophobicContact CD1-CG2 3.8Å; I777-L869 HydrophobicContact CD1-CD1 3.92Å
778V93.8Very high88.2Confident2 Ų218.4 Ų18.41%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-127.3129.4-179.1-1780000109C766 S768 L769 L776 L785 I786 L811C766-V778 HydrophobicContact CB-CG1 4.34Å; S768-V778 WeakPolarHBondContact O-CA 3.45Å; L769-V778 HydrophobicContact CB-CG2 4.21Å; L776-V778 HydrophobicContact CD1-CG2 4.39Å; L776-V778 HydrophobicContact CD2-CG2 3.89Å; L776-V778 HydrophobicContact CG-CG2 3.8Å; V778-L785 CarbonylContact O-C 3.54Å; V778-L785 WeakPolarHBondContact O-CA 3.38Å; V778-I786 PolarHBondContact N-O 3.45Å; V778-I786 PolarHBondContact O-N 2.92Å; V778-L811 HydrophobicContact CB-CD2 3.98Å; V778-L811 HydrophobicContact CG1-CD2 4.35Å; V778-L811 HydrophobicContact CG2-CD2 3.71Å
779T91.9Very high88.2Confident0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-93.9145.3163.458.40000109.3S767 S768 L784 L785 I836 I842 L854S767-T779 PolarHBondContact N-O 3.06Å; S767-T779 WeakPolarHBondContact OG-CB 3.22Å; S767-T779 PolarHBondContact OG-O 3.47Å; S767-T779 PolarHBondContact OG-OG1 3.42Å; S768-T779 PolarHBondContact N-O 3.25Å; S768-T779 PolarHBondContact N-OG1 3.04Å; S768-T779 VanDerWaalsContact N-OG1 3.12Å; S768-T779 PolarHBondContact O-N 3Å; S768-T779 PolarHBondContact O-OG1 3.49Å; S768-T779 PolarHBondContact OG-OG1 2.89Å; T779-L784 CarbonylContact C-O 3.55Å; T779-L784 WeakPolarHBondContact CA-O 3.04Å; T779-L785 HydrophobicContact CG2-CB 4.19Å; T779-L785 HydrophobicContact CG2-CD1 4.03Å; T779-L785 HydrophobicContact CG2-CG 4.33Å; T779-I836 HydrophobicContact CG2-CD1 3.7Å; T779-I842 HydrophobicContact CG2-CD1 3.93Å; T779-I842 HydrophobicContact CG2-CG1 3.68Å; T779-L854 HydrophobicContact CG2-CD2 4.27Å
780N87.6Confident88.1Confident5 Ų518.3 Ų18.33%0.02710%0.097CC..EExtended strand (participates in β ladder)trans-118.5160.8176.472.221000113.2S765 S767 N782 K783 L784 I813S765-N780 CarbonylContact O-C 3.59Å; S765-N780 WeakPolarHBondContact O-CA 3.35Å; S765-N780 WeakPolarHBondContact O-CB 3.15Å; S767-N780 PolarHBondContact OG-N 3.16Å; N780-N782 PolarHBondContact O-N 3.06Å; N780-N782 WeakPolarHBondContact OD1-CA 3Å; N780-N782 PolarHBondContact OD1-N 3.42Å; N780-N782 VanDerWaalsContact OD1-N 3.12Å; N780-K783 PolarHBondContact O-N 2.9Å; N780-K783 PolarHBondContact OD1-N 3.26Å; N780-L784 PolarHBondContact N-O 3.39Å; N780-L784 WeakPolarHBondContact OD1-CB 3.15Å; N780-L784 PolarHBondContact OD1-N 2.86Å; N780-L784 PolarHBondContact OD1-O 3.33Å; N780-I813 WeakPolarHBondContact ND2-CD1 3.16Å; N780-I813 WeakPolarHBondContact ND2-CG1 3.43Å
781V82.9Confident88Confident54 Ų5419.5 Ų19.533%0.32710%0.104SC..THydrogen-bonded Turntrans-62.4-20.1176.3-63.30000112.5S765 K783S765-V781 PolarHBondContact O-N 3.32Å; V781-K783 VanDerWaalsContact C-N 3.25Å; V781-K783 PolarHBondContact O-N 3.4Å
782N81.5Confident88.2Confident88 Ų8819.5 Ų19.547%0.47110%0.103SC..THydrogen-bonded Turntrans-87.325.7179.5-63.6-27.1000113.7N780 L784 I813N780-N782 PolarHBondContact O-N 3.06Å; N780-N782 WeakPolarHBondContact OD1-CA 3Å; N780-N782 PolarHBondContact OD1-N 3.42Å; N780-N782 VanDerWaalsContact OD1-N 3.12Å; N782-L784 PolarHBondContact O-N 2.73Å; N782-I813 HydrophobicContact CB-CD1 3.66Å; N782-I813 WeakPolarHBondContact ND2-CD1 3.47Å
783K87Confident88.3Confident117 Ų11721 Ų2151%0.50911%0.112SC..SBendtrans65.532.1171.1-48.2-172.2-166.1-175.50114.4N780 V781 I836N780-K783 PolarHBondContact O-N 2.9Å; N780-K783 PolarHBondContact OD1-N 3.26Å; V781-K783 VanDerWaalsContact C-N 3.25Å; V781-K783 PolarHBondContact O-N 3.4Å; K783-I836 WeakPolarHBondContact CB-O 2.96Å; K783-I836 WeakPolarHBondContact O-CG1 3.24Å; K783-I836 PolarHBondContact O-N 2.86Å
784L88.8Confident88.7Confident8 Ų821.5 Ų21.54%0.04212%0.115CC..EExtended strand (participates in β ladder)trans-126.5143.9175.2-62.3165.8000111.6T779 N780 N782 I813 L817T779-L784 CarbonylContact C-O 3.55Å; T779-L784 WeakPolarHBondContact CA-O 3.04Å; N780-L784 PolarHBondContact N-O 3.39Å; N780-L784 WeakPolarHBondContact OD1-CB 3.15Å; N780-L784 PolarHBondContact OD1-N 2.86Å; N780-L784 PolarHBondContact OD1-O 3.33Å; N782-L784 PolarHBondContact O-N 2.73Å; L784-I813 HydrophobicContact CD1-CG1 4.31Å; L784-I813 HydrophobicContact CD1-CG2 3.76Å; L784-L817 HydrophobicContact CD1-CD2 4.28Å; L784-L817 HydrophobicContact CD2-CD2 4.09Å
785L92.4Very high88.8Confident0 Ų025.1 Ų25.10%014%0.142CC..EExtended strand (participates in β ladder)trans-102.5128.9159.3177.7149.1000108.5I777 V778 T779 H834 I836 V852 L854 I864 P866I777-L785 HydrophobicContact CG2-CD1 3.73Å; I777-L785 HydrophobicContact CG2-CD2 3.87Å; I777-L785 HydrophobicContact CG2-CG 3.71Å; V778-L785 CarbonylContact O-C 3.54Å; V778-L785 WeakPolarHBondContact O-CA 3.38Å; T779-L785 HydrophobicContact CG2-CB 4.19Å; T779-L785 HydrophobicContact CG2-CD1 4.03Å; T779-L785 HydrophobicContact CG2-CG 4.33Å; L785-H834 HydrophobicContact CB-CB 4.27Å; L785-H834 HydrophobicContact CD2-CB 4.1Å; L785-H834 PolarHBondContact N-O 2.84Å; L785-H834 PolarHBondContact O-N 3.4Å; L785-I836 HydrophobicContact CB-CD1 4.45Å; L785-I836 HydrophobicContact CB-CG2 3.82Å; L785-V852 HydrophobicContact CD1-CG1 4.28Å; L785-L854 HydrophobicContact CD1-CD1 4.45Å; L785-L854 HydrophobicContact CD1-CD2 4.09Å; L785-I864 HydrophobicContact CD1-CD1 3.73Å; L785-P866 HydrophobicContact CD2-CB 4.25Å; L785-P866 HydrophobicContact CD2-CG 3.87Å
786I92Very high88.6Confident5 Ų525.9 Ų25.93%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-114.6119.7-177-50.5-179.8000107.8I777 V778 V788 L811 N832 L833I777-I786 WeakPolarHBondContact CA-O 3.4Å; V778-I786 PolarHBondContact N-O 3.45Å; V778-I786 PolarHBondContact O-N 2.92Å; I786-V788 HydrophobicContact CG2-CG2 3.79Å; I786-L811 WeakPolarHBondContact CD1-O 3.25Å; I786-L811 HydrophobicContact CG2-CD2 4.48Å; I786-N832 CarbonylContact C-O 3.49Å; I786-N832 WeakPolarHBondContact CA-O 3.09Å; I786-L833 HydrophobicContact CB-CD2 4.26Å; I786-L833 HydrophobicContact CD1-CD2 4.42Å; I786-L833 HydrophobicContact CG1-CD2 3.81Å; I786-L833 HydrophobicContact CG2-CD2 3.97Å
787C92.4Very high88.2Confident1 Ų126.8 Ų26.81%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-93.898.3170.1-66.50000109.2F775 N832 P866 A868F775-C787 HydrophobicContact CD1-CB 4.15Å; C787-N832 PolarHBondContact N-O 3.12Å; C787-N832 WeakPolarHBondContact O-CB 3.13Å; C787-P866 WeakPolarHBondContact SG-CB 3.29Å; C787-A868 HydrophobicContact CB-CB 3.81Å
788V91.3Very high87.7Confident3 Ų333.4 Ų33.42%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-86.6115.4178.6-179.40000109.2F775 L776 I786 L807 R810 L811F775-V788 CarbonylContact C-O 3.49Å; F775-V788 VanDerWaalsContact CA-O 3.24Å; F775-V788 WeakPolarHBondContact CA-O 3.31Å; L776-V788 HydrophobicContact CB-CB 4.23Å; L776-V788 PolarHBondContact N-O 3.26Å; L776-V788 PolarHBondContact O-N 3.23Å; I786-V788 HydrophobicContact CG2-CG2 3.79Å; V788-L807 HydrophobicContact CG1-CD1 3.94Å; V788-R810 HydrophobicContact CG1-CB 3.97Å; V788-L811 HydrophobicContact CG2-CD2 3.51Å; V788-L811 HydrophobicContact CG2-CG 3.82Å
789S88.8Confident87.3Confident23 Ų2336.7 Ų36.716%0.16120%0.203CC..EExtended strand (participates in β ladder)trans-61.3135.2170.8176.70000110.5L791 F792 R810S789-L791 VanDerWaalsContact C-N 3.3Å; S789-L791 WeakPolarHBondContact OG-CB 3.39Å; S789-L791 PolarHBondContact OG-N 3.2Å; S789-F792 WeakPolarHBondContact O-CE2 3.31Å; S789-R810 PolarHBondContact O-NH1 3.49Å
790L89.5Confident87Confident0 Ų039.7 Ų39.70%022%0.223CC..  trans-91.46.8173.6-58.2-179.8000112.7I710 I712 Y713 E774 L776I710-L790 HydrophobicContact CB-CD1 4.38Å; I710-L790 HydrophobicContact CD1-CD2 3.76Å; I712-L790 HydrophobicContact CD1-CB 4.44Å; I712-L790 HydrophobicContact CD1-CD2 3.96Å; Y713-L790 PolarHBondContact N-O 2.87Å; E774-L790 WeakPolarHBondContact O-CB 3.18Å; E774-L790 PolarHBondContact O-N 3.45Å; L776-L790 HydrophobicContact CB-CD2 4.06Å
791L87.3Confident87Confident40 Ų4044.4 Ų44.421%0.20925%0.248CC..EExtended strand (participates in β ladder)trans-88.4124170.7-51.2176.2000109Y713 E715 Y718 S789 R810Y713-L791 WeakPolarHBondContact O-CA 3.37Å; E715-L791 HydrophobicContact CG-CB 3.5Å; E715-L791 VanDerWaalsContact CG-CB 3.5Å; Y718-L791 HydrophobicContact CD1-CD2 4.41Å; Y718-L791 HydrophobicContact CD2-CD2 3.34Å; Y718-L791 HydrophobicContact CE1-CD2 4.49Å; Y718-L791 HydrophobicContact CE2-CD2 3.48Å; Y718-L791 VanDerWaalsContact CE2-CD2 3.48Å; Y718-L791 HydrophobicContact CG-CD2 3.85Å; S789-L791 VanDerWaalsContact C-N 3.3Å; S789-L791 WeakPolarHBondContact OG-CB 3.39Å; S789-L791 PolarHBondContact OG-N 3.2Å; L791-R810 PolarHBondContact O-NH1 2.79Å; L791-R810 PolarHBondContact O-NH2 3.47Å
792F88.7Confident87.3Confident0 Ų043.9 Ų43.90%025%0.247CC..EExtended strand (participates in β ladder)trans-130.7157.5-177.7-76.4-113.2000110.4I712 Y713 D714 E715 S789 Q796 I797 L803 E806 L807I712-F792 HydrophobicContact CD1-CD2 4.1Å; I712-F792 HydrophobicContact CD1-CE2 3.76Å; I712-F792 HydrophobicContact CD1-CZ 4.43Å; I712-F792 HydrophobicContact CG2-CB 3.93Å; I712-F792 HydrophobicContact CG2-CD2 3.62Å; I712-F792 HydrophobicContact CG2-CE2 4.35Å; I712-F792 HydrophobicContact CG2-CG 3.91Å; Y713-F792 PolarHBondContact O-N 3.46Å; D714-F792 WeakPolarHBondContact CA-O 3.47Å; E715-F792 PolarHBondContact N-O 2.84Å; S789-F792 WeakPolarHBondContact O-CE2 3.31Å; F792-Q796 HydrophobicContact CD1-CB 4.4Å; F792-I797 HydrophobicContact CB-CD1 3.99Å; F792-I797 HydrophobicContact CB-CG1 3.79Å; F792-L803 HydrophobicContact CB-CD1 4.46Å; F792-L803 HydrophobicContact CD1-CD1 3.46Å; F792-L803 VanDerWaalsContact CD1-CD1 3.46Å; F792-L803 HydrophobicContact CD2-CD1 4.46Å; F792-L803 HydrophobicContact CE1-CD1 3.64Å; F792-L803 HydrophobicContact CG-CD1 3.9Å; F792-L803 HydrophobicContact CZ-CD1 4.26Å; F792-E806 HydrophobicContact CD1-CB 4.19Å; F792-E806 HydrophobicContact CD1-CG 3.63Å; F792-E806 HydrophobicContact CE1-CB 3.79Å; F792-E806 HydrophobicContact CE1-CG 3.34Å; F792-E806 HydrophobicContact CZ-CG 4.4Å; F792-L807 HydrophobicContact CZ-CD1 4.44Å
793N85.9Confident87.7Confident42 Ų4239.7 Ų39.723%0.22522%0.224CC..  trans-71.5146.7174.6-73.7-63000111.2Y716 S795 Q796 I797Y716-N793 WeakPolarHBondContact CE2-OD1 3.32Å; N793-S795 PolarHBondContact O-N 3.35Å; N793-S795 VanDerWaalsContact O-N 3.12Å; N793-Q796 HydrophobicContact CB-CG 4.23Å; N793-Q796 WeakPolarHBondContact O-CB 3.2Å; N793-Q796 PolarHBondContact O-N 3.05Å; N793-I797 WeakPolarHBondContact O-CG1 3.4Å; N793-I797 PolarHBondContact O-N 3.33Å; N793-I797 VanDerWaalsContact O-N 3.11Å
794S84.5Confident87.9Confident37 Ų3734.7 Ų34.726%0.25920%0.203SC..Hα-helixtrans-55.3-34.3178.1-33.80000112.9D714 Q796 I797 N798D714-S794 PolarHBondContact OD1-OG 3.25Å; D714-S794 WeakPolarHBondContact OD2-CB 3.14Å; D714-S794 PolarHBondContact OD2-OG 3.12Å; S794-Q796 VanDerWaalsContact C-N 3.35Å; S794-Q796 PolarHBondContact O-N 2.75Å; S794-I797 PolarHBondContact O-N 3.04Å; S794-N798 PolarHBondContact O-N 3.22Å; S794-N798 PolarHBondContact O-ND2 3.01Å
795S83.5Confident88Confident93 Ų9341.5 Ų41.565%0.6523%0.232SC*.Hα-helixtrans-66.3-33.5176.757.80000113.5N793N793-S795 PolarHBondContact O-N 3.35Å; N793-S795 VanDerWaalsContact O-N 3.12Å
796Q84.5Confident87.9Confident26 Ų2643.7 Ų43.712%0.12124%0.243CC..Hα-helixtrans-74.2-39.7176.3-65.5166.2-31.700110.6F792 N793 S794 D799 L803 E806F792-Q796 HydrophobicContact CD1-CB 4.4Å; N793-Q796 HydrophobicContact CB-CG 4.23Å; N793-Q796 WeakPolarHBondContact O-CB 3.2Å; N793-Q796 PolarHBondContact O-N 3.05Å; S794-Q796 VanDerWaalsContact C-N 3.35Å; S794-Q796 PolarHBondContact O-N 2.75Å; Q796-D799 VanDerWaalsContact O-O 3.04Å; Q796-L803 WeakPolarHBondContact O-CB 3.27Å; Q796-L803 PolarHBondContact O-N 3.48Å; Q796-E806 PolarHBondContact NE2-OE2 3.43Å
797I84.2Confident87.8Confident19 Ų1943.5 Ų43.510%0.09724%0.241CC..Hα-helixtrans-68.5-35.5-176.2-65.1165.5000112.4I712 D714 A726 F792 N793 S794 D799I712-I797 HydrophobicContact CG2-CD1 4.24Å; I712-I797 HydrophobicContact CG2-CG1 4.02Å; D714-I797 HydrophobicContact CB-CD1 3.87Å; A726-I797 HydrophobicContact CB-CG2 4.08Å; F792-I797 HydrophobicContact CB-CD1 3.99Å; F792-I797 HydrophobicContact CB-CG1 3.79Å; N793-I797 WeakPolarHBondContact O-CG1 3.4Å; N793-I797 PolarHBondContact O-N 3.33Å; N793-I797 VanDerWaalsContact O-N 3.11Å; S794-I797 PolarHBondContact O-N 3.04Å; I797-D799 VanDerWaalsContact C-N 3.26Å; I797-D799 PolarHBondContact O-N 3.36Å
798N83.9Confident87.7Confident138 Ų13846.2 Ų46.274%0.73826%0.256SS*.THydrogen-bonded Turntrans-69.3-20.5-174.4-72.4-20.5000114.1S794S794-N798 PolarHBondContact O-N 3.22Å; S794-N798 PolarHBondContact O-ND2 3.01Å
799D85.7Confident87.5Confident72 Ų7248.9 Ų48.939%0.38527%0.274SS..SBendtrans-116.9115.9174.7171.324.5000110.1Q796 I797 N801 S802 L803Q796-D799 VanDerWaalsContact O-O 3.04Å; I797-D799 VanDerWaalsContact C-N 3.26Å; I797-D799 PolarHBondContact O-N 3.36Å; D799-N801 PolarHBondContact O-N 3.02Å; D799-N801 PolarHBondContact OD1-N 3.06Å; D799-N801 VanDerWaalsContact OD1-N 3.12Å; D799-S802 WeakPolarHBondContact O-CB 3.42Å; D799-S802 PolarHBondContact O-N 3.43Å; D799-S802 VanDerWaalsContact O-N 3.11Å; D799-S802 WeakPolarHBondContact OD2-CB 3.29Å; D799-S802 PolarHBondContact OD2-N 3.22Å; D799-L803 PolarHBondContact O-N 2.92Å
800P84.9Confident87.5Confident63 Ų6350.4 Ų50.441%0.40928%0.277SS..Hα-helixtrans-58.8-31.9-178.723.1-33000113.1V743 L804V743-P800 HydrophobicContact CB-CB 3.84Å; V743-P800 HydrophobicContact CG1-CB 4.16Å; V743-P800 HydrophobicContact CG2-CB 3.79Å; P800-L804 VanDerWaalsContact O-CG 3.32Å; P800-L804 WeakPolarHBondContact O-CG 3.43Å; P800-L804 PolarHBondContact O-N 3.27Å
801N87.8Confident87.3Confident104 Ų10450.5 Ų50.556%0.55628%0.277SS*.Hα-helixtrans-71.4-41.1177.3-71.7-40.8000111.8D799 L803 L804 K805D799-N801 PolarHBondContact O-N 3.02Å; D799-N801 PolarHBondContact OD1-N 3.06Å; D799-N801 VanDerWaalsContact OD1-N 3.12Å; N801-L803 VanDerWaalsContact C-N 3.35Å; N801-L804 PolarHBondContact O-N 3.24Å; N801-K805 WeakPolarHBondContact O-CB 3.19Å; N801-K805 VanDerWaalsContact O-CG 3.27Å; N801-K805 WeakPolarHBondContact O-CG 3.49Å; N801-K805 PolarHBondContact O-N 3.01Å
802S88.8Confident86.9Confident42 Ų4253.8 Ų53.829%0.29430%0.295SS..Hα-helixtrans-60.9-44.6173.4-169.90000111.3D799 K805 E806D799-S802 WeakPolarHBondContact O-CB 3.42Å; D799-S802 PolarHBondContact O-N 3.43Å; D799-S802 VanDerWaalsContact O-N 3.11Å; D799-S802 WeakPolarHBondContact OD2-CB 3.29Å; D799-S802 PolarHBondContact OD2-N 3.22Å; S802-K805 PolarHBondContact O-N 3.34Å; S802-E806 WeakPolarHBondContact O-CB 2.97Å; S802-E806 PolarHBondContact O-N 3.32Å
803L90.6Very high86Confident0 Ų055.5 Ų55.50%030%0.304CS..Hα-helixtrans-59.7-47.8176.9-178.559.3000112.4I712 A726 I728 V743 F792 Q796 D799 N801 E806 L807I712-L803 HydrophobicContact CG1-CD1 4.4Å; I712-L803 HydrophobicContact CG1-CD2 4.38Å; I712-L803 HydrophobicContact CG2-CD1 4.01Å; A726-L803 HydrophobicContact CB-CD2 3.96Å; I728-L803 HydrophobicContact CD1-CD1 4.43Å; I728-L803 HydrophobicContact CD1-CD2 3.94Å; I728-L803 HydrophobicContact CD1-CG 3.95Å; I728-L803 HydrophobicContact CG1-CD2 4.16Å; V743-L803 HydrophobicContact CG1-CD2 4.3Å; V743-L803 HydrophobicContact CG2-CD2 4Å; F792-L803 HydrophobicContact CB-CD1 4.46Å; F792-L803 HydrophobicContact CD1-CD1 3.46Å; F792-L803 VanDerWaalsContact CD1-CD1 3.46Å; F792-L803 HydrophobicContact CD2-CD1 4.46Å; F792-L803 HydrophobicContact CE1-CD1 3.64Å; F792-L803 HydrophobicContact CG-CD1 3.9Å; F792-L803 HydrophobicContact CZ-CD1 4.26Å; Q796-L803 WeakPolarHBondContact O-CB 3.27Å; Q796-L803 PolarHBondContact O-N 3.48Å; D799-L803 PolarHBondContact O-N 2.92Å; N801-L803 VanDerWaalsContact C-N 3.35Å; L803-E806 PolarHBondContact O-N 3.21Å; L803-L807 PolarHBondContact O-N 3.33Å
804L91.1Very high84.9Confident13 Ų1356 Ų567%0.06831%0.309CS..Hα-helixtrans-67.2-37.8177.9-69174.7000112.4I728 A741 V743 L760 I762 P800 N801 E806 L807 L808I728-L804 HydrophobicContact CG2-CD2 4.45Å; A741-L804 HydrophobicContact CB-CD2 3.67Å; V743-L804 HydrophobicContact CG2-CD1 4.15Å; V743-L804 HydrophobicContact CG2-CD2 3.97Å; V743-L804 HydrophobicContact CG2-CG 3.78Å; L760-L804 HydrophobicContact CB-CD1 4.2Å; L760-L804 HydrophobicContact CD2-CB 4.08Å; I762-L804 HydrophobicContact CD1-CB 4.39Å; I762-L804 HydrophobicContact CD1-CD2 4.27Å; P800-L804 VanDerWaalsContact O-CG 3.32Å; P800-L804 WeakPolarHBondContact O-CG 3.43Å; P800-L804 PolarHBondContact O-N 3.27Å; N801-L804 PolarHBondContact O-N 3.24Å; L804-E806 VanDerWaalsContact C-N 3.33Å; L804-E806 PolarHBondContact O-N 3.11Å; L804-L807 PolarHBondContact O-N 3.38Å; L804-L808 WeakPolarHBondContact O-CB 2.94Å; L804-L808 PolarHBondContact O-N 3.39Å
805K90Very high83.7Confident150 Ų15059 Ų5965%0.65233%0.331SS*.Hα-helixtrans-63.2-39.2174.4-79.4176.9-179.61790112.1N801 S802 L808 S809N801-K805 WeakPolarHBondContact O-CB 3.19Å; N801-K805 VanDerWaalsContact O-CG 3.27Å; N801-K805 WeakPolarHBondContact O-CG 3.49Å; N801-K805 PolarHBondContact O-N 3.01Å; S802-K805 PolarHBondContact O-N 3.34Å; K805-L808 PolarHBondContact O-N 3.48Å; K805-S809 PolarHBondContact O-N 3.46Å
806E90.1Very high82.2Confident47 Ų4760.5 Ų60.522%0.2233%0.327CS..Hα-helixtrans-70.5-38.7175.117965.6-172.800111.6F792 Q796 S802 L803 L804 L808 S809 R810F792-E806 HydrophobicContact CD1-CB 4.19Å; F792-E806 HydrophobicContact CD1-CG 3.63Å; F792-E806 HydrophobicContact CE1-CB 3.79Å; F792-E806 HydrophobicContact CE1-CG 3.34Å; F792-E806 HydrophobicContact CZ-CG 4.4Å; Q796-E806 PolarHBondContact NE2-OE2 3.43Å; S802-E806 WeakPolarHBondContact O-CB 2.97Å; S802-E806 PolarHBondContact O-N 3.32Å; L803-E806 PolarHBondContact O-N 3.21Å; L804-E806 VanDerWaalsContact C-N 3.33Å; L804-E806 PolarHBondContact O-N 3.11Å; E806-L808 VanDerWaalsContact C-N 3.29Å; E806-L808 PolarHBondContact O-N 3.16Å; E806-S809 PolarHBondContact O-N 2.98Å; E806-S809 PolarHBondContact O-OG 3.38Å; E806-S809 PolarHBondContact OE2-OG 3.14Å; E806-R810 VanDerWaalsContact O-CG 3.32Å; E806-R810 WeakPolarHBondContact O-CG 3.26Å; E806-R810 PolarHBondContact O-N 2.93Å; E806-R810 IonicContact OE1-CZ 3.28Å; E806-R810 IonicContact OE1-NE 3.35Å; E806-R810 PolarHBondContact OE1-NE 3.06Å; E806-R810 IonicContact OE1-NH2 2.82Å; E806-R810 PolarHBondContact OE1-NH2 3.47Å
807L90.6Very high80.7Confident0 Ų061.8 Ų61.80%033%0.334CS..Hα-helixtrans-61-42172.9-17764.5000111.3I728 L730 A741 I762 V788 F792 L803 L804 R810 L811I728-L807 HydrophobicContact CD1-CD2 4.02Å; I728-L807 HydrophobicContact CG2-CD2 4.35Å; L730-L807 HydrophobicContact CD2-CD2 4.2Å; A741-L807 HydrophobicContact CB-CD2 4.12Å; I762-L807 HydrophobicContact CG1-CD2 4.46Å; I762-L807 HydrophobicContact CG2-CD2 4.43Å; I762-L807 HydrophobicContact CG2-CG 4.11Å; V788-L807 HydrophobicContact CG1-CD1 3.94Å; F792-L807 HydrophobicContact CZ-CD1 4.44Å; L803-L807 PolarHBondContact O-N 3.33Å; L804-L807 PolarHBondContact O-N 3.38Å; L807-R810 PolarHBondContact O-N 3.15Å; L807-L811 HydrophobicContact CD1-CD1 4.23Å; L807-L811 HydrophobicContact CG-CD1 4.19Å; L807-L811 PolarHBondContact O-N 2.93Å; L807-L811 VanDerWaalsContact O-N 3.11Å
808L90.7Very high79.3Confident58 Ų5865.1 Ų65.130%0.30435%0.352SS..Hα-helixtrans-61-45.5173.5-173.5156.9000111.4L760 I762 L804 K805 E806 R810 L811 N812L760-L808 HydrophobicContact CD2-CD1 4.42Å; I762-L808 HydrophobicContact CD1-CB 4.3Å; I762-L808 HydrophobicContact CG2-CB 4.1Å; L804-L808 WeakPolarHBondContact O-CB 2.94Å; L804-L808 PolarHBondContact O-N 3.39Å; K805-L808 PolarHBondContact O-N 3.48Å; E806-L808 VanDerWaalsContact C-N 3.29Å; E806-L808 PolarHBondContact O-N 3.16Å; L808-R810 VanDerWaalsContact C-N 3.31Å; L808-R810 PolarHBondContact O-N 3.26Å; L808-L811 PolarHBondContact O-N 3.3Å; L808-N812 WeakPolarHBondContact O-CB 3.34Å; L808-N812 PolarHBondContact O-N 3.24Å
809S87.4Confident77.7Confident59 Ų5965.3 Ų65.341%0.41336%0.359SS..Hα-helixtrans-61.1-39.3178.580.10000112.2K805 E806 N812K805-S809 PolarHBondContact O-N 3.46Å; E806-S809 PolarHBondContact O-N 2.98Å; E806-S809 PolarHBondContact O-OG 3.38Å; E806-S809 PolarHBondContact OE2-OG 3.14Å; S809-N812 PolarHBondContact O-N 3.33Å
810R87.2Confident76.1Confident55 Ų5566.1 Ų66.121%0.20837%0.37CS..Hα-helixtrans-71.9-27.8179.1-68.9177.1-176.2-156.7-0.1113.8V788 S789 L791 E806 L807 L808V788-R810 HydrophobicContact CG1-CB 3.97Å; S789-R810 PolarHBondContact O-NH1 3.49Å; L791-R810 PolarHBondContact O-NH1 2.79Å; L791-R810 PolarHBondContact O-NH2 3.47Å; E806-R810 VanDerWaalsContact O-CG 3.32Å; E806-R810 WeakPolarHBondContact O-CG 3.26Å; E806-R810 PolarHBondContact O-N 2.93Å; E806-R810 IonicContact OE1-CZ 3.28Å; E806-R810 IonicContact OE1-NE 3.35Å; E806-R810 PolarHBondContact OE1-NE 3.06Å; E806-R810 IonicContact OE1-NH2 2.82Å; E806-R810 PolarHBondContact OE1-NH2 3.47Å; L807-R810 PolarHBondContact O-N 3.15Å; L808-R810 VanDerWaalsContact C-N 3.31Å; L808-R810 PolarHBondContact O-N 3.26Å
811L86Confident74.3Confident2 Ų266.8 Ų66.81%0.0137%0.373CS..Hα-helixtrans-89.7-15.7176.2-78.6166.5000113.2L739 I762 V778 I786 V788 L807 L808L739-L811 HydrophobicContact CD2-CD1 4.18Å; I762-L811 HydrophobicContact CB-CD1 4.49Å; I762-L811 HydrophobicContact CG2-CB 4.31Å; I762-L811 HydrophobicContact CG2-CD1 3.4Å; I762-L811 VanDerWaalsContact CG2-CD1 3.4Å; I762-L811 HydrophobicContact CG2-CG 4.44Å; V778-L811 HydrophobicContact CB-CD2 3.98Å; V778-L811 HydrophobicContact CG1-CD2 4.35Å; V778-L811 HydrophobicContact CG2-CD2 3.71Å; I786-L811 WeakPolarHBondContact CD1-O 3.25Å; I786-L811 HydrophobicContact CG2-CD2 4.48Å; V788-L811 HydrophobicContact CG2-CD2 3.51Å; V788-L811 HydrophobicContact CG2-CG 3.82Å; L807-L811 HydrophobicContact CD1-CD1 4.23Å; L807-L811 HydrophobicContact CG-CD1 4.19Å; L807-L811 PolarHBondContact O-N 2.93Å; L807-L811 VanDerWaalsContact O-N 3.11Å; L808-L811 PolarHBondContact O-N 3.3Å
812N79.4Confident72.2Confident110 Ų11074 Ų7459%0.58839%0.392SS*.SBendtrans-71.4135.3-179.1-145.9-2.9000110.9L808 S809L808-N812 WeakPolarHBondContact O-CB 3.34Å; L808-N812 PolarHBondContact O-N 3.24Å; S809-N812 PolarHBondContact O-N 3.33Å
813I68.4Low70Confident36 Ų3680 Ų8019%0.18541%0.413CS..PPolyproline II helixtrans-77128.5178.8-55.4167.5000107.1N780 N782 L784 S815 L817N780-I813 WeakPolarHBondContact ND2-CD1 3.16Å; N780-I813 WeakPolarHBondContact ND2-CG1 3.43Å; N782-I813 HydrophobicContact CB-CD1 3.66Å; N782-I813 WeakPolarHBondContact ND2-CD1 3.47Å; L784-I813 HydrophobicContact CD1-CG1 4.31Å; L784-I813 HydrophobicContact CD1-CG2 3.76Å; I813-S815 PolarHBondContact O-N 3.5Å; I813-L817 HydrophobicContact CG2-CB 3.94Å
814P64Low67.4Low52 Ų5285.5 Ų85.534%0.33845%0.449SS..PPolyproline II helixtrans-55.6131.7174.1-22.432.2000109.6E816 L817 L833P814-E816 PolarHBondContact O-N 3.19Å; P814-L817 HydrophobicContact CB-CD1 4.31Å; P814-L817 HydrophobicContact CG-CD1 4.18Å; P814-L817 PolarHBondContact O-N 3.33Å; P814-L833 HydrophobicContact CG-CD1 4.21Å
815S58.6Low64.9Low101 Ų10187.5 Ų87.571%0.70646%0.463SS*.G310 helixtrans-54.4-21.7-178.447.50000113.8I813 L817 D818I813-S815 PolarHBondContact O-N 3.5Å; S815-L817 VanDerWaalsContact C-N 3.32Å; S815-L817 PolarHBondContact O-N 3Å; S815-D818 WeakPolarHBondContact O-CB 3.13Å; S815-D818 PolarHBondContact O-N 3.13Å
816E51.5Low62.6Low123 Ų12391.8 Ų91.858%0.57548%0.475SS*.G310 helixtrans-71-20.1176.3-58.7175.1169.800114.2P814 P825P814-E816 PolarHBondContact O-N 3.19Å; E816-P825 HydrophobicContact CB-CB 4.24Å
817L53.6Low60.5Low53 Ų5396.3 Ų96.328%0.27750%0.501SS..G310 helixtrans-93.1-4175.2-90.1123.8000113L784 I813 P814 S815 T819 L833L784-L817 HydrophobicContact CD1-CD2 4.28Å; L784-L817 HydrophobicContact CD2-CD2 4.09Å; I813-L817 HydrophobicContact CG2-CB 3.94Å; P814-L817 HydrophobicContact CB-CD1 4.31Å; P814-L817 HydrophobicContact CG-CD1 4.18Å; P814-L817 PolarHBondContact O-N 3.33Å; S815-L817 VanDerWaalsContact C-N 3.32Å; S815-L817 PolarHBondContact O-N 3Å; L817-T819 PolarHBondContact O-N 3.33Å; L817-L833 HydrophobicContact CD1-CD1 4.27Å
818D54.2Low58.4Low89 Ų89102 Ų10248%0.47652%0.522SS..  trans-71.7102.4174-161.5-24.3000109.2S815 S820 T821S815-D818 WeakPolarHBondContact O-CB 3.13Å; S815-D818 PolarHBondContact O-N 3.13Å; D818-S820 PolarHBondContact O-N 3.38Å; D818-S820 WeakPolarHBondContact OD1-CB 3.26Å; D818-S820 PolarHBondContact OD1-N 2.78Å; D818-S820 PolarHBondContact OD1-OG 3.46Å; D818-T821 PolarHBondContact O-N 2.61Å; D818-T821 PolarHBondContact O-OG1 2.89Å; D818-T821 VanDerWaalsContact O-OG1 3.04Å
819T51.5Low56.6Low142 Ų142106.9 Ų106.987%0.87154%0.538SS*.THydrogen-bonded Turntrans-59-8.7-17753.70000114.2L817 T821L817-T819 PolarHBondContact O-N 3.33Å; T819-T821 PolarHBondContact O-N 3.45Å
820S51.9Low55.8Low89 Ų89105.8 Ų105.862%0.62253%0.527SS*.THydrogen-bonded Turntrans-62.5-19.6168.759.70000113.1D818D818-S820 PolarHBondContact O-N 3.38Å; D818-S820 WeakPolarHBondContact OD1-CB 3.26Å; D818-S820 PolarHBondContact OD1-N 2.78Å; D818-S820 PolarHBondContact OD1-OG 3.46Å
821T47.4Very low55.4Low77 Ų77103.9 Ų103.947%0.47252%0.521SS..SBendtrans-101.2118.6179.565.10000112.4D818 T819 K823D818-T821 PolarHBondContact O-N 2.61Å; D818-T821 PolarHBondContact O-OG1 2.89Å; D818-T821 VanDerWaalsContact O-OG1 3.04Å; T819-T821 PolarHBondContact O-N 3.45Å; T821-K823 PolarHBondContact O-N 3.19Å
822R43.8Very low55.4Low255 Ų255105.5 Ų105.596%0.96253%0.53SS*.  trans-67.212.9-173.4-76.7-173.7177.8-1790.3116.6
823K41.8Very low55.7Low168 Ų168101.6 Ų101.673%0.7351%0.509SS*.SBendtrans-104.9124.4178.8-74.7-174.3178.5179.60109.7T821T821-K823 PolarHBondContact O-N 3.19Å
824P35.6Very low56.7Low117 Ų117102.6 Ų102.676%0.7651%0.513SS*.  trans-63.8128176.226.8-31.5000108.5R826P824-R826 PolarHBondContact O-N 3.49Å
825P39.8Very low57.8Low54 Ų54103.5 Ų103.535%0.35152%0.519SS..  trans-65126.8-175.823-30.6000110.1E816 N827E816-P825 HydrophobicContact CB-CB 4.24Å; P825-N827 PolarHBondContact O-N 2.79Å
826R41.8Very low59.2Low241 Ų24199.7 Ų99.791%0.90949%0.49SS*.SBendtrans-76.1109.9172-84.5-179.9169.9170.2-2.5107.7P824P824-R826 PolarHBondContact O-N 3.49Å
827N46.1Very low60.7Low142 Ų14297.4 Ų97.476%0.75948%0.479SS*.  trans67.176.8179.8-82.7-5.9000116.2P825 Y829P825-N827 PolarHBondContact O-N 2.79Å; N827-Y829 VanDerWaalsContact C-N 3.32Å; N827-Y829 PolarHBondContact O-N 3.42Å
828W46.1Very low61.9Low120 Ų12097.7 Ų97.746%0.45549%0.486SS..  trans-75.4-7.4173.457.3-88.4000115.3N830W828-N830 PolarHBondContact O-N 2.84Å
829Y53.2Low63.1Low159 Ų15995.5 Ų95.562%0.62448%0.484SS*.  trans-71.899-174.5-89.3-82.5000111.3N827N827-Y829 VanDerWaalsContact C-N 3.32Å; N827-Y829 PolarHBondContact O-N 3.42Å
830N70.9Confident64.8Low37 Ų3788.8 Ų88.820%0.19844%0.443CS..  trans-114.1120.9160.5-176-7.9000106.7W828 N832 L833 K944W828-N830 PolarHBondContact O-N 2.84Å; N830-N832 PolarHBondContact O-N 3.35Å; N830-N832 PolarHBondContact OD1-N 3.44Å; N830-L833 HydrophobicContact CB-CB 4.26Å; N830-L833 HydrophobicContact CB-CD1 3.91Å; N830-L833 HydrophobicContact CB-CG 3.94Å; N830-L833 PolarHBondContact O-N 3.48Å; N830-K944 HydrophobicContact CB-CD 4.22Å
831D78Confident66.6Low14 Ų1485 Ų858%0.07542%0.416CS..THydrogen-bonded Turntrans-59.6-20.7-176.9-64.8-57.5000112.9R867 A868 L871 F945D831-R867 HydrophobicContact CB-CB 4.26Å; D831-R867 HydrophobicContact CB-CG 4.07Å; D831-R867 WeakPolarHBondContact OD1-CG 3.5Å; D831-A868 WeakPolarHBondContact O-CB 3.17Å; D831-A868 PolarHBondContact O-N 2.99Å; D831-L871 HydrophobicContact CB-CD1 4.01Å; D831-F945 HydrophobicContact CB-CB 4.41Å
832N85.2Confident68.6Low37 Ų3782.1 Ų82.120%0.19840%0.397CS..THydrogen-bonded Turntrans-82.8-9.7176.4-64.4-22.1000114I786 C787 N830 A868I786-N832 CarbonylContact C-O 3.49Å; I786-N832 WeakPolarHBondContact CA-O 3.09Å; C787-N832 PolarHBondContact N-O 3.12Å; C787-N832 WeakPolarHBondContact O-CB 3.13Å; N830-N832 PolarHBondContact O-N 3.35Å; N830-N832 PolarHBondContact OD1-N 3.44Å; N832-A868 WeakPolarHBondContact OD1-CB 3.23Å
833L87.5Confident70.8Confident27 Ų2770.3 Ų70.314%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-111.9134.8-179.3-60179.4000110.5I786 P814 L817 N830I786-L833 HydrophobicContact CB-CD2 4.26Å; I786-L833 HydrophobicContact CD1-CD2 4.42Å; I786-L833 HydrophobicContact CG1-CD2 3.81Å; I786-L833 HydrophobicContact CG2-CD2 3.97Å; P814-L833 HydrophobicContact CG-CD1 4.21Å; L817-L833 HydrophobicContact CD1-CD1 4.27Å; N830-L833 HydrophobicContact CB-CB 4.26Å; N830-L833 HydrophobicContact CB-CD1 3.91Å; N830-L833 HydrophobicContact CB-CG 3.94Å; N830-L833 PolarHBondContact O-N 3.48Å
834H87.6Confident73.1Confident57 Ų5762.3 Ų62.326%0.26432%0.319SS..EExtended strand (participates in β ladder)trans-132.8116.6176.2-166.352.1000110.7L785L785-H834 HydrophobicContact CB-CB 4.27Å; L785-H834 HydrophobicContact CD2-CB 4.1Å; L785-H834 PolarHBondContact N-O 2.84Å; L785-H834 PolarHBondContact O-N 3.4Å
835P87Confident75.6Confident72 Ų7256.7 Ų56.747%0.46828%0.282SS..EExtended strand (participates in β ladder)trans-61.3139173.9-22.233.7000112
836I88.1Confident77.7Confident20 Ų2054.4 Ų54.410%0.10327%0.267CS..  trans-133.1169.6179.259.6174.5000110.6T779 K783 L785 A840 L854T779-I836 HydrophobicContact CG2-CD1 3.7Å; K783-I836 WeakPolarHBondContact CB-O 2.96Å; K783-I836 WeakPolarHBondContact O-CG1 3.24Å; K783-I836 PolarHBondContact O-N 2.86Å; L785-I836 HydrophobicContact CB-CD1 4.45Å; L785-I836 HydrophobicContact CB-CG2 3.82Å; I836-A840 HydrophobicContact CB-CB 4.31Å; I836-A840 HydrophobicContact CD1-CB 4.22Å; I836-L854 HydrophobicContact CB-CD1 4.33Å; I836-L854 HydrophobicContact CG2-CD1 3.6Å
837E83.4Confident79.2Confident75 Ų7543.4 Ų43.435%0.3523%0.227SC..  trans-71.9152.4170.6-167.7175-168.700110.8G839 A840 M856E837-G839 PolarHBondContact O-N 3.47Å; E837-A840 VanDerWaalsContact O-CB 3.3Å; E837-A840 WeakPolarHBondContact O-CB 3.35Å; E837-A840 PolarHBondContact O-N 3.12Å; E837-A840 VanDerWaalsContact O-N 3.17Å; E837-M856 HydrophobicContact CB-CE 3.29Å; E837-M856 HydrophobicContact CB-SD 4.19Å; E837-M856 HydrophobicContact CG-CE 4.33Å; E837-M856 WeakPolarHBondContact OE2-CE 3.36Å
838S79.7Confident80.5Confident60 Ų6040.4 Ų40.442%0.4221%0.211SC..THydrogen-bonded Turntrans-60.6130.7175.8-166.10000110.5A840 P857S838-A840 VanDerWaalsContact C-N 3.26Å; S838-A840 PolarHBondContact O-N 3.09Å; S838-P857 WeakPolarHBondContact O-CG 3.29Å
839G78.7Confident82.1Confident42 Ų4237.3 Ų37.343%0.43320%0.203SC..THydrogen-bonded Turntrans76.37.8-179.200000114.9E837E837-G839 PolarHBondContact O-N 3.47Å
840A87.7Confident83.8Confident1 Ų129.9 Ų29.91%0.00817%0.174CC..  trans-66.9137.616900000110.6I836 E837 S838 Q855 M856I836-A840 HydrophobicContact CB-CB 4.31Å; I836-A840 HydrophobicContact CD1-CB 4.22Å; E837-A840 VanDerWaalsContact O-CB 3.3Å; E837-A840 WeakPolarHBondContact O-CB 3.35Å; E837-A840 PolarHBondContact O-N 3.12Å; E837-A840 VanDerWaalsContact O-N 3.17Å; S838-A840 VanDerWaalsContact C-N 3.26Å; S838-A840 PolarHBondContact O-N 3.09Å; A840-Q855 WeakPolarHBondContact CA-O 3.48Å; A840-M856 HydrophobicContact CB-SD 3.73Å
841I88.4Confident84.7Confident11 Ų1129.5 Ų29.56%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-130.9149.8-175.954.3122.5000111.3Y384 V843 L854 Q855Y384-I841 HydrophobicContact CD2-CD1 4.32Å; Y384-I841 HydrophobicContact CE2-CD1 3.66Å; I841-V843 PolarHBondContact O-N 3.28Å; I841-L854 CarbonylContact O-C 3.16Å; I841-L854 VanDerWaalsContact O-CA 3.28Å; I841-L854 WeakPolarHBondContact O-CA 3.2Å; I841-Q855 HydrophobicContact CD1-CB 4.06Å; I841-Q855 HydrophobicContact CG1-CB 4.05Å; I841-Q855 PolarHBondContact N-O 3.26Å; I841-Q855 PolarHBondContact O-N 3.39Å
842I91.1Very high85.4Confident16 Ų1628.8 Ų28.88%0.08217%0.167CC..EExtended strand (participates in β ladder)trans-74.2127178.4-59.2163000109.5S768 I770 I777 T779 V852 L854S768-I842 WeakPolarHBondContact OG-CG1 3.32Å; S768-I842 PolarHBondContact OG-N 2.92Å; I770-I842 HydrophobicContact CB-CG2 4.23Å; I770-I842 HydrophobicContact CG2-CD1 4.14Å; I770-I842 HydrophobicContact CG2-CG2 3.89Å; I777-I842 HydrophobicContact CB-CD1 4.33Å; I777-I842 HydrophobicContact CG2-CD1 3.77Å; T779-I842 HydrophobicContact CG2-CD1 3.93Å; T779-I842 HydrophobicContact CG2-CG1 3.68Å; I842-V852 HydrophobicContact CG2-CG1 4.41Å; I842-L854 HydrophobicContact CB-CD2 4.32Å; I842-L854 HydrophobicContact CG1-CD2 3.72Å
843V89.8Confident85.8Confident6 Ų627 Ų274%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-89.3-52.2170.8179.90000109.9Y384 V406 F419 I841 I853 Q855 L861Y384-V843 HydrophobicContact CD1-CG1 4.21Å; Y384-V843 HydrophobicContact CD2-CB 4.3Å; Y384-V843 HydrophobicContact CD2-CG1 4.09Å; Y384-V843 HydrophobicContact CD2-CG2 4.24Å; Y384-V843 HydrophobicContact CE1-CG1 4.31Å; Y384-V843 HydrophobicContact CE2-CB 4.3Å; Y384-V843 HydrophobicContact CE2-CG1 4.21Å; Y384-V843 HydrophobicContact CE2-CG2 3.75Å; Y384-V843 HydrophobicContact CG-CG1 4.11Å; V406-V843 HydrophobicContact CG1-CG1 4.39Å; V406-V843 HydrophobicContact CG2-CG1 4.01Å; F419-V843 HydrophobicContact CE2-CG1 4.21Å; I841-V843 PolarHBondContact O-N 3.28Å; V843-I853 HydrophobicContact CB-CB 4.38Å; V843-I853 HydrophobicContact CB-CG2 4.17Å; V843-I853 HydrophobicContact CG2-CG2 4.4Å; V843-I853 PolarHBondContact N-O 3.24Å; V843-Q855 HydrophobicContact CG2-CB 3.63Å; V843-L861 HydrophobicContact CG2-CD2 3.92Å
844T89.7Confident86Confident0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-162.2159.4177.3-170.60000109.9V406 F419 I853V406-T844 HydrophobicContact CG2-CG2 4.12Å; F419-T844 HydrophobicContact CB-CG2 4.03Å; F419-T844 HydrophobicContact CD2-CG2 3.88Å; F419-T844 HydrophobicContact CG-CG2 4.22Å; T844-I853 HydrophobicContact CG2-CB 4.23Å; T844-I853 HydrophobicContact CG2-CG1 4.13Å; T844-I853 PolarHBondContact O-N 3.23Å
845A87.5Confident86.1Confident0 Ų023.8 Ų23.80%014%0.142CC..EExtended strand (participates in β ladder)trans-130.1141.8169.800000107.8I770 L772 I777 P847 V852I770-A845 HydrophobicContact CD1-CB 4.1Å; I770-A845 HydrophobicContact CG2-CB 3.89Å; L772-A845 HydrophobicContact CD1-CB 4.35Å; L772-A845 HydrophobicContact CD2-CB 4.05Å; L772-A845 HydrophobicContact CG-CB 4.48Å; I777-A845 HydrophobicContact CD1-CB 4.17Å; A845-P847 WeakPolarHBondContact O-CD 3.43Å; A845-V852 HydrophobicContact CB-CG1 4.44Å; A845-V852 HydrophobicContact CB-CG2 4.07Å
846I84.3Confident86.1Confident6 Ų621.5 Ų21.53%0.03113%0.125CC..  trans-93.5117-170.9-53.8-168.7000109.4A420 N848 D849 K851A420-I846 HydrophobicContact CB-CD1 3.74Å; A420-I846 HydrophobicContact CB-CG2 4.49Å; I846-N848 PolarHBondContact O-N 3.45Å; I846-D849 HydrophobicContact CB-CB 3.86Å; I846-D849 HydrophobicContact CG2-CB 3.63Å; I846-D849 PolarHBondContact O-N 3.15Å; I846-D849 VanDerWaalsContact O-N 3.17Å; I846-K851 HydrophobicContact CD1-CB 4Å; I846-K851 HydrophobicContact CD1-CD 4.01Å; I846-K851 HydrophobicContact CG1-CB 4.19Å; I846-K851 PolarHBondContact N-O 3.26Å; I846-K851 VanDerWaalsContact N-O 3.13Å
847P74Confident85.7Confident9 Ų924.3 Ų24.36%0.05815%0.145CC..THydrogen-bonded Turntrans-58.8137.6178.3-25.135.3000112.1L390 N402 A845 D849L390-P847 HydrophobicContact CD2-CB 3.86Å; L390-P847 HydrophobicContact CD2-CG 4.23Å; N402-P847 HydrophobicContact CB-CG 4.38Å; A845-P847 WeakPolarHBondContact O-CD 3.43Å; P847-D849 PolarHBondContact O-N 3.41Å; P847-D849 VanDerWaalsContact O-N 3.13Å
848N72.4Confident85.5Confident80 Ų8029.6 Ų29.643%0.42816%0.161SC..THydrogen-bonded Turntrans58.416.6-177.7-59.8-39.1000115.2I846 H873I846-N848 PolarHBondContact O-N 3.45Å; N848-H873 PolarHBondContact O-CE1 3Å; N848-H873 PolarHBondContact O-ND1 3.26Å
849D79.6Confident85.5Confident55 Ų5526.8 Ų26.829%0.29414%0.142SC..SBendtrans-121-178.5166.7-162.8-10.2000108.2I846 P847I846-D849 HydrophobicContact CB-CB 3.86Å; I846-D849 HydrophobicContact CG2-CB 3.63Å; I846-D849 PolarHBondContact O-N 3.15Å; I846-D849 VanDerWaalsContact O-N 3.17Å; P847-D849 PolarHBondContact O-N 3.41Å; P847-D849 VanDerWaalsContact O-N 3.13Å
850T88.9Confident85.9Confident3 Ų329 Ų292%0.01814%0.144CC..SBendtrans-106.5-9-177.756.90000112.4H865 V870 H873 M889T850-H865 WeakPolarHBondContact O-CA 3.47Å; T850-H865 PolarHBondContact OG1-CE1 2.62Å; T850-H865 PolarHBondContact OG1-ND1 3.15Å; T850-V870 HydrophobicContact CG2-CB 4.44Å; T850-V870 HydrophobicContact CG2-CG2 4.06Å; T850-H873 HydrophobicContact CG2-CB 3.67Å; T850-M889 HydrophobicContact CG2-SD 4.17Å
851K90.2Very high86Confident28 Ų2830.4 Ų30.412%0.12215%0.151CC..  trans-74.9130.5-176.2-65.1-175.9-164.7-176.70112A420 I846 E863 H865A420-K851 PolarHBondContact O-NZ 3.18Å; I846-K851 HydrophobicContact CD1-CB 4Å; I846-K851 HydrophobicContact CD1-CD 4.01Å; I846-K851 HydrophobicContact CG1-CB 4.19Å; I846-K851 PolarHBondContact N-O 3.26Å; I846-K851 VanDerWaalsContact N-O 3.13Å; K851-E863 HydrophobicContact CD-CG 4.49Å; K851-E863 WeakPolarHBondContact CD-OE1 3.44Å; K851-E863 WeakPolarHBondContact CE-OE1 3.28Å; K851-E863 HydrophobicContact CG-CG 4.39Å; K851-E863 IonicContact NZ-OE1 3.87Å; K851-H865 WeakPolarHBondContact CG-CE1 3.42Å
852V92.6Very high86.2Confident0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-124.6129.5165.7-178.70000107.4I777 L785 I842 A845 L854 I864 P866 L869I777-V852 HydrophobicContact CD1-CG2 3.8Å; L785-V852 HydrophobicContact CD1-CG1 4.28Å; I842-V852 HydrophobicContact CG2-CG1 4.41Å; A845-V852 HydrophobicContact CB-CG1 4.44Å; A845-V852 HydrophobicContact CB-CG2 4.07Å; V852-L854 HydrophobicContact CG1-CD2 4.17Å; V852-I864 HydrophobicContact CB-CD1 4.26Å; V852-I864 HydrophobicContact CB-CG1 3.93Å; V852-I864 HydrophobicContact CG1-CD1 4.42Å; V852-I864 HydrophobicContact CG1-CG1 4.45Å; V852-I864 PolarHBondContact N-O 2.79Å; V852-I864 VanDerWaalsContact O-CG1 3.27Å; V852-I864 WeakPolarHBondContact O-CG1 3.41Å; V852-I864 PolarHBondContact O-N 2.76Å; V852-P866 HydrophobicContact CB-CG 4.48Å; V852-P866 HydrophobicContact CG2-CG 3.94Å; V852-L869 HydrophobicContact CG2-CD1 3.65Å
853I93.4Very high86.2Confident0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-101.5120.4179.2-53.5-55.1000108.5F419 V423 V843 T844 L861 E862 E863F419-I853 HydrophobicContact CB-CG1 3.85Å; F419-I853 HydrophobicContact CD1-CG1 4.12Å; F419-I853 HydrophobicContact CD1-CG2 4.23Å; F419-I853 HydrophobicContact CE1-CG2 4.35Å; F419-I853 HydrophobicContact CG-CG1 4.03Å; V423-I853 HydrophobicContact CG2-CD1 3.84Å; V843-I853 HydrophobicContact CB-CB 4.38Å; V843-I853 HydrophobicContact CB-CG2 4.17Å; V843-I853 HydrophobicContact CG2-CG2 4.4Å; V843-I853 PolarHBondContact N-O 3.24Å; T844-I853 HydrophobicContact CG2-CB 4.23Å; T844-I853 HydrophobicContact CG2-CG1 4.13Å; T844-I853 PolarHBondContact O-N 3.23Å; I853-L861 HydrophobicContact CG2-CB 4.33Å; I853-L861 HydrophobicContact CG2-CD1 4.35Å; I853-L861 HydrophobicContact CG2-CD2 4.35Å; I853-E862 WeakPolarHBondContact CA-O 3.04Å; I853-E863 HydrophobicContact CD1-CB 3.95Å; I853-E863 HydrophobicContact CD1-CG 4.04Å
854L92.7Very high86.4Confident0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-103.8148.5174.1-59.2-177.9000110.2T779 L785 I836 I841 I842 V852 L861 E862 I864T779-L854 HydrophobicContact CG2-CD2 4.27Å; L785-L854 HydrophobicContact CD1-CD1 4.45Å; L785-L854 HydrophobicContact CD1-CD2 4.09Å; I836-L854 HydrophobicContact CB-CD1 4.33Å; I836-L854 HydrophobicContact CG2-CD1 3.6Å; I841-L854 CarbonylContact O-C 3.16Å; I841-L854 VanDerWaalsContact O-CA 3.28Å; I841-L854 WeakPolarHBondContact O-CA 3.2Å; I842-L854 HydrophobicContact CB-CD2 4.32Å; I842-L854 HydrophobicContact CG1-CD2 3.72Å; V852-L854 HydrophobicContact CG1-CD2 4.17Å; L854-L861 CarbonylContact O-C 3.59Å; L854-L861 VanDerWaalsContact O-CA 3.26Å; L854-L861 WeakPolarHBondContact O-CA 3.46Å; L854-E862 PolarHBondContact N-O 3.33Å; L854-E862 PolarHBondContact O-N 3.41Å; L854-I864 HydrophobicContact CD1-CD1 3.54Å; L854-I864 HydrophobicContact CD1-CG1 4.21Å; L854-I864 HydrophobicContact CG-CD1 3.92Å; L854-I864 HydrophobicContact CG-CG1 4.23Å
855Q89.8Confident86.6Confident16 Ų1638 Ų388%0.07519%0.186CC..EExtended strand (participates in β ladder)trans-106.2123.2163.7-174.4-173.427.400108.7Y384 A840 I841 V843 N860 L861Y384-Q855 PolarHBondContact OH-NE2 2.95Å; Y384-Q855 PolarHBondContact OH-OE1 3.34Å; A840-Q855 WeakPolarHBondContact CA-O 3.48Å; I841-Q855 HydrophobicContact CD1-CB 4.06Å; I841-Q855 HydrophobicContact CG1-CB 4.05Å; I841-Q855 PolarHBondContact N-O 3.26Å; I841-Q855 PolarHBondContact O-N 3.39Å; V843-Q855 HydrophobicContact CG2-CB 3.63Å; Q855-N860 WeakPolarHBondContact CA-O 3.24Å; Q855-L861 HydrophobicContact CB-CD2 3.8Å; Q855-L861 HydrophobicContact CG-CD2 4.03Å
856M86.7Confident86.8Confident23 Ų2338 Ų3811%0.11319%0.186CC..  trans-76.1156.1174.6-52-52.8-109.200110.2E837 A840 R858 G859 N860 E862E837-M856 HydrophobicContact CB-CE 3.29Å; E837-M856 HydrophobicContact CB-SD 4.19Å; E837-M856 HydrophobicContact CG-CE 4.33Å; E837-M856 WeakPolarHBondContact OE2-CE 3.36Å; A840-M856 HydrophobicContact CB-SD 3.73Å; M856-R858 PolarHBondContact O-N 3.27Å; M856-G859 PolarHBondContact O-N 2.89Å; M856-N860 PolarHBondContact N-O 3.11Å; M856-E862 WeakPolarHBondContact CE-OE2 3.34Å; M856-E862 HydrophobicContact SD-CB 4.35Å
857P78.7Confident87.1Confident79 Ų7940.9 Ų40.951%0.51320%0.197SC..THydrogen-bonded Turntrans-56.3-29.9-178.9-21.728.1000113.9S838 G859S838-P857 WeakPolarHBondContact O-CG 3.29Å; P857-G859 PolarHBondContact O-N 3.17Å
858R78.9Confident87.8Confident186 Ų18640.4 Ų40.470%0.70219%0.194SC*.THydrogen-bonded Turntrans-68.9-17.8178-59-177-171.6-164.6-0.2113N313 M856N313-R858 PolarHBondContact OD1-O 3.07Å; M856-R858 PolarHBondContact O-N 3.27Å
859G80.6Confident88.7Confident2 Ų237 Ų372%0.02118%0.176CC..SBendtrans107.4-13.1-17900000114.7N313 M856 P857N313-G859 WeakPolarHBondContact OD1-CA 3.39Å; M856-G859 PolarHBondContact O-N 2.89Å; P857-G859 PolarHBondContact O-N 3.17Å
860N86.7Confident89.4Confident88 Ų8834.5 Ų34.547%0.47116%0.162SC..  trans-66.1148176.1-67.3-18.7000111.7Q855 M856Q855-N860 WeakPolarHBondContact CA-O 3.24Å; M856-N860 PolarHBondContact N-O 3.11Å
861L90.6Very high89.5Confident30 Ų3034.3 Ų34.316%0.15716%0.161CC..EExtended strand (participates in β ladder)trans-95.6142.6171.3-60.4-178.5000110.8F419 V423 I424 P426 V843 I853 L854 Q855F419-L861 HydrophobicContact CE1-CD1 3.39Å; F419-L861 HydrophobicContact CZ-CD1 3.51Å; V423-L861 HydrophobicContact CG1-CB 3.97Å; V423-L861 HydrophobicContact CG1-CD1 4.25Å; I424-L861 WeakPolarHBondContact O-CD1 3.42Å; P426-L861 HydrophobicContact CG-CD1 4.38Å; P426-L861 HydrophobicContact CG-CD2 4.43Å; P426-L861 HydrophobicContact CG-CG 4.22Å; V843-L861 HydrophobicContact CG2-CD2 3.92Å; I853-L861 HydrophobicContact CG2-CB 4.33Å; I853-L861 HydrophobicContact CG2-CD1 4.35Å; I853-L861 HydrophobicContact CG2-CD2 4.35Å; L854-L861 CarbonylContact O-C 3.59Å; L854-L861 VanDerWaalsContact O-CA 3.26Å; L854-L861 WeakPolarHBondContact O-CA 3.46Å; Q855-L861 HydrophobicContact CB-CD2 3.8Å; Q855-L861 HydrophobicContact CG-CD2 4.03Å
862E91Very high89.3Confident79 Ų7933.3 Ų33.337%0.36916%0.158SC..EExtended strand (participates in β ladder)trans-122.3126.2173.5-165.7179.7-179.800109.8I853 L854 M856 I864I853-E862 WeakPolarHBondContact CA-O 3.04Å; L854-E862 PolarHBondContact N-O 3.33Å; L854-E862 PolarHBondContact O-N 3.41Å; M856-E862 WeakPolarHBondContact CE-OE2 3.34Å; M856-E862 HydrophobicContact SD-CB 4.35Å; E862-I864 HydrophobicContact CG-CG2 3.89Å
863E92.9Very high89.1Confident69 Ų6934.7 Ų34.732%0.32216%0.164SC..EExtended strand (participates in β ladder)trans-89.2115.6169.1179.4179.9164.400108.8V423 K851 I853 H865 R892V423-E863 HydrophobicContact CG2-CB 4.14Å; V423-E863 WeakPolarHBondContact CG2-OE2 3.27Å; K851-E863 HydrophobicContact CD-CG 4.49Å; K851-E863 WeakPolarHBondContact CD-OE1 3.44Å; K851-E863 WeakPolarHBondContact CE-OE1 3.28Å; K851-E863 HydrophobicContact CG-CG 4.39Å; K851-E863 IonicContact NZ-OE1 3.87Å; I853-E863 HydrophobicContact CD1-CB 3.95Å; I853-E863 HydrophobicContact CD1-CG 4.04Å; E863-H865 IonicContact OE1-CE1 3.81Å; E863-H865 IonicContact OE1-NE2 3.73Å; E863-H865 PolarHBondContact OE1-NE2 3.01Å; E863-R892 IonicContact OE1-NH2 3.65Å
864I93.2Very high89Confident8 Ų834.7 Ų34.74%0.04116%0.164CC..EExtended strand (participates in β ladder)trans-118156.5175.659.9161.7000110.8L785 V852 L854 E862 P866L785-I864 HydrophobicContact CD1-CD1 3.73Å; V852-I864 HydrophobicContact CB-CD1 4.26Å; V852-I864 HydrophobicContact CB-CG1 3.93Å; V852-I864 HydrophobicContact CG1-CD1 4.42Å; V852-I864 HydrophobicContact CG1-CG1 4.45Å; V852-I864 PolarHBondContact N-O 2.79Å; V852-I864 VanDerWaalsContact O-CG1 3.27Å; V852-I864 WeakPolarHBondContact O-CG1 3.41Å; V852-I864 PolarHBondContact O-N 2.76Å; L854-I864 HydrophobicContact CD1-CD1 3.54Å; L854-I864 HydrophobicContact CD1-CG1 4.21Å; L854-I864 HydrophobicContact CG-CD1 3.92Å; L854-I864 HydrophobicContact CG-CG1 4.23Å; E862-I864 HydrophobicContact CG-CG2 3.89Å; I864-P866 HydrophobicContact CD1-CG 4.17Å
865H93.3Very high88.8Confident36 Ų3635.6 Ų35.617%0.16717%0.171CC..  trans-127.184.1175.9-65.6-97.4000109.6T850 K851 E863 R867 V870 R892 H893T850-H865 WeakPolarHBondContact O-CA 3.47Å; T850-H865 PolarHBondContact OG1-CE1 2.62Å; T850-H865 PolarHBondContact OG1-ND1 3.15Å; K851-H865 WeakPolarHBondContact CG-CE1 3.42Å; E863-H865 IonicContact OE1-CE1 3.81Å; E863-H865 IonicContact OE1-NE2 3.73Å; E863-H865 PolarHBondContact OE1-NE2 3.01Å; H865-R867 PolarHBondContact O-N 3.1Å; H865-V870 HydrophobicContact CB-CG2 4.03Å; H865-R892 PolarHBondContact NE2-NH2 3.36Å; H865-H893 AromaticContact CD2-CE1 3.64Å; H865-H893 AromaticContact CE1-CE1 3.89Å; H865-H893 AromaticContact CG-CE1 3.37Å; H865-H893 AromaticContact ND1-CE1 3.56Å; H865-H893 AromaticContact NE2-CE1 3.91Å
866P92.4Very high88.6Confident1 Ų137.6 Ų37.61%0.00618%0.179CC..  trans-51.9135.1179.3-26.133.7000111.7L785 C787 V852 I864 A868 L869 V870L785-P866 HydrophobicContact CD2-CB 4.25Å; L785-P866 HydrophobicContact CD2-CG 3.87Å; C787-P866 WeakPolarHBondContact SG-CB 3.29Å; V852-P866 HydrophobicContact CB-CG 4.48Å; V852-P866 HydrophobicContact CG2-CG 3.94Å; I864-P866 HydrophobicContact CD1-CG 4.17Å; P866-A868 VanDerWaalsContact C-N 3.29Å; P866-A868 PolarHBondContact O-N 2.94Å; P866-L869 HydrophobicContact CB-CD1 4.37Å; P866-L869 HydrophobicContact CB-CG 4.32Å; P866-L869 HydrophobicContact CG-CD1 4.12Å; P866-L869 PolarHBondContact O-N 3.36Å; P866-V870 PolarHBondContact O-N 3.46Å; P866-V870 VanDerWaalsContact O-N 3.08Å
867R90.5Very high88.7Confident66 Ų6636.9 Ų36.925%0.24918%0.176CC..Hα-helixtrans-59.9-40-171.9-169.560.1157.1-158.9-3.7112.1D831 H865 L869 V870 L871 H893 R894 I895 Y942D831-R867 HydrophobicContact CB-CB 4.26Å; D831-R867 HydrophobicContact CB-CG 4.07Å; D831-R867 WeakPolarHBondContact OD1-CG 3.5Å; H865-R867 PolarHBondContact O-N 3.1Å; R867-L869 PolarHBondContact O-N 3.4Å; R867-V870 PolarHBondContact O-N 3.3Å; R867-L871 HydrophobicContact CG-CD1 4.21Å; R867-L871 WeakPolarHBondContact O-CG 3.45Å; R867-L871 PolarHBondContact O-N 3.25Å; R867-H893 PolarHBondContact NH1-O 3.07Å; R867-R894 PolarHBondContact NH2-O 2.86Å; R867-I895 VanDerWaalsContact NE-CD1 3.29Å; R867-Y942 PolarHBondContact NH2-OH 3.41Å
868A89.7Confident89.3Confident0 Ų033.4 Ų33.40%015%0.153CC..Hα-helixtrans-55-45.617300000113.1F775 C787 D831 N832 P866 L871 A872 F945F775-A868 HydrophobicContact CE1-CB 4.11Å; C787-A868 HydrophobicContact CB-CB 3.81Å; D831-A868 WeakPolarHBondContact O-CB 3.17Å; D831-A868 PolarHBondContact O-N 2.99Å; N832-A868 WeakPolarHBondContact OD1-CB 3.23Å; P866-A868 VanDerWaalsContact C-N 3.29Å; P866-A868 PolarHBondContact O-N 2.94Å; A868-L871 PolarHBondContact O-N 3.06Å; A868-A872 WeakPolarHBondContact O-CB 3.27Å; A868-A872 PolarHBondContact O-N 3.04Å; A868-F945 HydrophobicContact CB-CD2 4.23Å; A868-F945 HydrophobicContact CB-CE2 3.92Å; A868-F945 WeakPolarHBondContact O-CE2 3.08Å
869L90.9Very high89.7Confident9 Ų928.3 Ų28.35%0.04714%0.139CC..Hα-helixtrans-66.7-39.2177.4-66.3-178.1000111.7L772 F775 I777 V852 P866 R867 A872 H873L772-L869 HydrophobicContact CD1-CD1 4.31Å; L772-L869 HydrophobicContact CD1-CD2 3.97Å; F775-L869 HydrophobicContact CB-CD2 4.22Å; F775-L869 HydrophobicContact CD2-CD2 3.57Å; F775-L869 HydrophobicContact CE2-CD2 4.08Å; F775-L869 HydrophobicContact CG-CD2 3.85Å; I777-L869 HydrophobicContact CD1-CD1 3.92Å; V852-L869 HydrophobicContact CG2-CD1 3.65Å; P866-L869 HydrophobicContact CB-CD1 4.37Å; P866-L869 HydrophobicContact CB-CG 4.32Å; P866-L869 HydrophobicContact CG-CD1 4.12Å; P866-L869 PolarHBondContact O-N 3.36Å; R867-L869 PolarHBondContact O-N 3.4Å; L869-A872 PolarHBondContact O-N 2.92Å; L869-H873 WeakPolarHBondContact O-CB 3.4Å; L869-H873 PolarHBondContact O-N 3.03Å
870V92.8Very high90Very high1 Ų132.7 Ų32.71%0.00616%0.162CC..Hα-helixtrans-61.2-46.2175177.90000110.8T850 H865 P866 R867 H873 L874 M889 H893 I895T850-V870 HydrophobicContact CG2-CB 4.44Å; T850-V870 HydrophobicContact CG2-CG2 4.06Å; H865-V870 HydrophobicContact CB-CG2 4.03Å; P866-V870 PolarHBondContact O-N 3.46Å; P866-V870 VanDerWaalsContact O-N 3.08Å; R867-V870 PolarHBondContact O-N 3.3Å; V870-H873 PolarHBondContact O-N 3.07Å; V870-L874 HydrophobicContact CG1-CD1 4.19Å; V870-L874 HydrophobicContact CG1-CG 4.49Å; V870-L874 WeakPolarHBondContact O-CB 3.44Å; V870-L874 VanDerWaalsContact O-CG 3.32Å; V870-L874 WeakPolarHBondContact O-CG 3.26Å; V870-L874 PolarHBondContact O-N 3.38Å; V870-M889 HydrophobicContact CG1-CE 4.37Å; V870-M889 HydrophobicContact CG1-CG 4.47Å; V870-H893 HydrophobicContact CG1-CB 4.11Å; V870-I895 HydrophobicContact CG1-CD1 3.81Å; V870-I895 HydrophobicContact CG1-CG1 4.09Å
871L91.8Very high90.2Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-66.9-37.9178.9-68.5172.3000112.5D831 R867 A868 L874 S875 I895 L899 Y942 F945 Y946D831-L871 HydrophobicContact CB-CD1 4.01Å; R867-L871 HydrophobicContact CG-CD1 4.21Å; R867-L871 WeakPolarHBondContact O-CG 3.45Å; R867-L871 PolarHBondContact O-N 3.25Å; A868-L871 PolarHBondContact O-N 3.06Å; L871-L874 HydrophobicContact CD2-CD1 4.33Å; L871-L874 PolarHBondContact O-N 3.23Å; L871-S875 PolarHBondContact O-N 3.06Å; L871-I895 HydrophobicContact CD2-CD1 3.74Å; L871-I895 HydrophobicContact CG-CD1 4.33Å; L871-L899 HydrophobicContact CD2-CD2 3.79Å; L871-Y942 HydrophobicContact CD1-CD1 4.03Å; L871-Y942 HydrophobicContact CD2-CD1 4.19Å; L871-Y942 HydrophobicContact CD2-CE1 4.29Å; L871-F945 HydrophobicContact CB-CD1 3.78Å; L871-F945 HydrophobicContact CB-CD2 4.35Å; L871-F945 HydrophobicContact CB-CE1 3.58Å; L871-F945 HydrophobicContact CB-CE2 4.17Å; L871-F945 HydrophobicContact CB-CG 4.17Å; L871-F945 HydrophobicContact CB-CZ 3.79Å; L871-F945 HydrophobicContact CD1-CB 3.96Å; L871-F945 HydrophobicContact CD1-CD1 4.02Å; L871-F945 HydrophobicContact CD1-CD2 4.15Å; L871-F945 HydrophobicContact CD1-CG 3.75Å; L871-Y946 HydrophobicContact CD2-CE2 4.26Å; L871-Y946 PolarHBondContact O-OH 3.48Å
872A87.2Confident90.2Very high7 Ų733.6 Ų33.66%0.05816%0.162CC..Hα-helixtrans-66.9-38.9173.900000112.5F775 A868 L869 S875 K876 F945F775-A872 HydrophobicContact CE2-CB 3.51Å; F775-A872 HydrophobicContact CZ-CB 3.84Å; A868-A872 WeakPolarHBondContact O-CB 3.27Å; A868-A872 PolarHBondContact O-N 3.04Å; L869-A872 PolarHBondContact O-N 2.92Å; A872-S875 PolarHBondContact O-OG 3.32Å; A872-K876 PolarHBondContact O-N 3.45Å; A872-F945 HydrophobicContact CB-CZ 4.02Å
873H88.2Confident90.3Very high29 Ų2930 Ų3013%0.13415%0.145CC..Hα-helixtrans-70.5-38.6174.8-163.679.1000111.2N848 T850 L869 V870 S875 K876 L877 M889N848-H873 PolarHBondContact O-CE1 3Å; N848-H873 PolarHBondContact O-ND1 3.26Å; T850-H873 HydrophobicContact CG2-CB 3.67Å; L869-H873 WeakPolarHBondContact O-CB 3.4Å; L869-H873 PolarHBondContact O-N 3.03Å; V870-H873 PolarHBondContact O-N 3.07Å; H873-S875 PolarHBondContact O-N 3.44Å; H873-K876 WeakPolarHBondContact O-CB 3.42Å; H873-K876 PolarHBondContact O-N 3.49Å; H873-L877 WeakPolarHBondContact O-CG 3.4Å; H873-L877 PolarHBondContact O-N 3.28Å; H873-L877 VanDerWaalsContact O-N 3.09Å; H873-M889 HydrophobicContact CB-CE 4.06Å; H873-M889 HydrophobicContact CB-SD 4.49Å
874L91.3Very high90.2Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-58.8-46.2173.6-80172.4000111.7V870 L871 K876 L877 L878 A886 M889 M890 I895 L899V870-L874 HydrophobicContact CG1-CD1 4.19Å; V870-L874 HydrophobicContact CG1-CG 4.49Å; V870-L874 WeakPolarHBondContact O-CB 3.44Å; V870-L874 VanDerWaalsContact O-CG 3.32Å; V870-L874 WeakPolarHBondContact O-CG 3.26Å; V870-L874 PolarHBondContact O-N 3.38Å; L871-L874 HydrophobicContact CD2-CD1 4.33Å; L871-L874 PolarHBondContact O-N 3.23Å; L874-K876 PolarHBondContact O-N 2.89Å; L874-L877 PolarHBondContact O-N 2.73Å; L874-L877 VanDerWaalsContact O-N 3.12Å; L874-L878 WeakPolarHBondContact O-CB 3.31Å; L874-L878 VanDerWaalsContact O-CG 3.24Å; L874-L878 WeakPolarHBondContact O-CG 3.44Å; L874-L878 PolarHBondContact O-N 3.48Å; L874-A886 HydrophobicContact CD2-CB 4.16Å; L874-M889 HydrophobicContact CB-CE 4.07Å; L874-M889 HydrophobicContact CD1-CE 4.4Å; L874-M889 HydrophobicContact CD2-CB 4.35Å; L874-M889 HydrophobicContact CD2-CE 3.26Å; L874-M889 HydrophobicContact CG-CE 3.26Å; L874-M890 HydrophobicContact CD1-CE 4.49Å; L874-M890 HydrophobicContact CD1-CG 3.93Å; L874-M890 HydrophobicContact CD2-CG 3.67Å; L874-M890 HydrophobicContact CD2-SD 4.45Å; L874-M890 HydrophobicContact CG-CG 4.5Å; L874-I895 HydrophobicContact CD1-CB 4.27Å; L874-I895 HydrophobicContact CD1-CD1 3.87Å; L874-I895 HydrophobicContact CD1-CG1 3.92Å; L874-I895 HydrophobicContact CD1-CG2 3.86Å; L874-L899 HydrophobicContact CD1-CD2 4.24Å
875S88.5Confident90.1Very high19 Ų1935.2 Ų35.213%0.13317%0.169CC..Hα-helixtrans-58.5-38.6-179.667.90000111.5L871 A872 H873 N879 Y903L871-S875 PolarHBondContact O-N 3.06Å; A872-S875 PolarHBondContact O-OG 3.32Å; H873-S875 PolarHBondContact O-N 3.44Å; S875-N879 VanDerWaalsContact O-CB 3.31Å; S875-N879 WeakPolarHBondContact O-CB 3.18Å; S875-N879 PolarHBondContact O-N 3.02Å; S875-N879 PolarHBondContact O-ND2 2.92Å; S875-Y903 WeakPolarHBondContact CB-OH 3.41Å
876K84.8Confident90.1Very high58 Ų5833.5 Ų33.525%0.25216%0.161SC..Hα-helixtrans-63.3-48.2173.3-68.1173.9-178.51740112.4E774 A872 H873 L874 L878 N879 N880E774-K876 WeakPolarHBondContact OE1-CE 3.4Å; E774-K876 IonicContact OE1-NZ 3.8Å; E774-K876 PolarHBondContact OE1-NZ 2.92Å; E774-K876 WeakPolarHBondContact OE2-CE 3.5Å; E774-K876 IonicContact OE2-NZ 3.72Å; E774-K876 PolarHBondContact OE2-NZ 2.87Å; A872-K876 PolarHBondContact O-N 3.45Å; H873-K876 WeakPolarHBondContact O-CB 3.42Å; H873-K876 PolarHBondContact O-N 3.49Å; L874-K876 PolarHBondContact O-N 2.89Å; K876-L878 VanDerWaalsContact C-N 3.34Å; K876-L878 PolarHBondContact O-N 2.6Å; K876-N879 PolarHBondContact O-N 3.22Å; K876-N880 WeakPolarHBondContact O-CB 3.21Å; K876-N880 VanDerWaalsContact O-CG 3.27Å; K876-N880 PolarHBondContact O-N 2.94Å; K876-N880 PolarHBondContact O-ND2 2.67Å
877L89.7Confident90.1Very high8 Ų833.6 Ų33.64%0.04216%0.161CC..Hα-helixtrans-62.3-41.8178.1-64.9178.4000111.9H873 L874 N880 K881 Q882 Q885 A886 M889H873-L877 WeakPolarHBondContact O-CG 3.4Å; H873-L877 PolarHBondContact O-N 3.28Å; H873-L877 VanDerWaalsContact O-N 3.09Å; L874-L877 PolarHBondContact O-N 2.73Å; L874-L877 VanDerWaalsContact O-N 3.12Å; L877-N880 CarbonylContact O-C 3.52Å; L877-N880 PolarHBondContact O-N 3.43Å; L877-K881 PolarHBondContact O-N 2.81Å; L877-K881 VanDerWaalsContact O-N 3.11Å; L877-Q882 HydrophobicContact CB-CB 4.39Å; L877-Q882 HydrophobicContact CD2-CB 4.15Å; L877-Q882 VanDerWaalsContact CD2-OE1 3.29Å; L877-Q882 PolarHBondContact O-N 3.1Å; L877-Q885 HydrophobicContact CD1-CB 4Å; L877-Q885 HydrophobicContact CD2-CB 4.29Å; L877-A886 HydrophobicContact CB-CB 4.17Å; L877-A886 HydrophobicContact CD1-CB 4.41Å; L877-M889 HydrophobicContact CD1-CE 3.95Å
878L90.6Very high90.1Very high5 Ų535.5 Ų35.53%0.02617%0.173CC..Hα-helixtrans-67.7-43179.3-66.2176000111.8L874 K876 N880 K881 Y883 A886 L900 Y903L874-L878 WeakPolarHBondContact O-CB 3.31Å; L874-L878 VanDerWaalsContact O-CG 3.24Å; L874-L878 WeakPolarHBondContact O-CG 3.44Å; L874-L878 PolarHBondContact O-N 3.48Å; K876-L878 VanDerWaalsContact C-N 3.34Å; K876-L878 PolarHBondContact O-N 2.6Å; L878-N880 VanDerWaalsContact C-N 3.27Å; L878-N880 PolarHBondContact O-N 2.81Å; L878-K881 PolarHBondContact O-N 2.75Å; L878-K881 VanDerWaalsContact O-N 3.15Å; L878-Y883 HydrophobicContact CD2-CD1 4.32Å; L878-Y883 HydrophobicContact CD2-CE1 4.44Å; L878-A886 HydrophobicContact CD2-CB 3.89Å; L878-L900 HydrophobicContact CD2-CD2 3.61Å; L878-Y903 HydrophobicContact CB-CD1 3.88Å; L878-Y903 HydrophobicContact CB-CE1 3.99Å; L878-Y903 HydrophobicContact CD1-CD1 3.84Å; L878-Y903 HydrophobicContact CD1-CG 3.93Å
879N86.6Confident90.1Very high79 Ų7936.6 Ų36.642%0.42218%0.179SC..Hα-helixtrans-60.4-38.7173.6-73.6-20.3000111.6S875 K876 K881 Y903S875-N879 VanDerWaalsContact O-CB 3.31Å; S875-N879 WeakPolarHBondContact O-CB 3.18Å; S875-N879 PolarHBondContact O-N 3.02Å; S875-N879 PolarHBondContact O-ND2 2.92Å; K876-N879 PolarHBondContact O-N 3.22Å; N879-K881 VanDerWaalsContact C-N 3.27Å; N879-K881 PolarHBondContact O-N 3.34Å; N879-Y903 VanDerWaalsContact CG-OH 3.29Å; N879-Y903 PolarHBondContact ND2-OH 2.85Å; N879-Y903 WeakPolarHBondContact OD1-CE1 3.29Å; N879-Y903 PolarHBondContact OD1-OH 2.97Å
880N87.4Confident90.3Very high95 Ų9536.2 Ų36.251%0.50818%0.177SC..THydrogen-bonded Turntrans-834.6178.7-67-20000114K876 L877 L878 Q882K876-N880 WeakPolarHBondContact O-CB 3.21Å; K876-N880 VanDerWaalsContact O-CG 3.27Å; K876-N880 PolarHBondContact O-N 2.94Å; K876-N880 PolarHBondContact O-ND2 2.67Å; L877-N880 CarbonylContact O-C 3.52Å; L877-N880 PolarHBondContact O-N 3.43Å; L878-N880 VanDerWaalsContact C-N 3.27Å; L878-N880 PolarHBondContact O-N 2.81Å; N880-Q882 HydrophobicContact CB-CG 4.16Å; N880-Q882 PolarHBondContact O-N 3.44Å
881K90.6Very high90.2Very high73 Ų7343.4 Ų43.432%0.31720%0.204SC..THydrogen-bonded Turntrans58.728.3-178.8-48.2-179.3-177.5-171.30114.4L877 L878 N879 Y883 N911L877-K881 PolarHBondContact O-N 2.81Å; L877-K881 VanDerWaalsContact O-N 3.11Å; L878-K881 PolarHBondContact O-N 2.75Å; L878-K881 VanDerWaalsContact O-N 3.15Å; N879-K881 VanDerWaalsContact C-N 3.27Å; N879-K881 PolarHBondContact O-N 3.34Å; K881-Y883 VanDerWaalsContact C-N 3.3Å; K881-Y883 HydrophobicContact CB-CE2 4.01Å; K881-Y883 PolarHBondContact O-N 2.72Å; K881-Y883 VanDerWaalsContact O-N 3.15Å; K881-N911 PolarHBondContact NZ-OD1 2.82Å
882Q91.4Very high90.2Very high63 Ų6351.1 Ų51.129%0.29423%0.233SC..  trans-88.965.2178.2-65.4-179.7-57.500110.5L877 N880 E884 Q885 A886L877-Q882 HydrophobicContact CB-CB 4.39Å; L877-Q882 HydrophobicContact CD2-CB 4.15Å; L877-Q882 VanDerWaalsContact CD2-OE1 3.29Å; L877-Q882 PolarHBondContact O-N 3.1Å; N880-Q882 HydrophobicContact CB-CG 4.16Å; N880-Q882 PolarHBondContact O-N 3.44Å; Q882-E884 PolarHBondContact O-N 2.89Å; Q882-Q885 PolarHBondContact O-N 2.57Å; Q882-A886 PolarHBondContact O-N 3.1Å; Q882-A886 VanDerWaalsContact O-N 3.12Å
883Y92.6Very high90.4Very high4 Ų452.5 Ų52.52%0.01624%0.238CC..Hα-helixtrans-64.9-37.1-170.2-62.4-64.1000114.3L878 K881 Q885 A886 V887 L900 F908 N911 F915L878-Y883 HydrophobicContact CD2-CD1 4.32Å; L878-Y883 HydrophobicContact CD2-CE1 4.44Å; K881-Y883 VanDerWaalsContact C-N 3.3Å; K881-Y883 HydrophobicContact CB-CE2 4.01Å; K881-Y883 PolarHBondContact O-N 2.72Å; K881-Y883 VanDerWaalsContact O-N 3.15Å; Y883-Q885 PolarHBondContact O-N 2.79Å; Y883-A886 PolarHBondContact O-N 3.07Å; Y883-V887 WeakPolarHBondContact O-CB 3.38Å; Y883-V887 PolarHBondContact O-N 2.81Å; Y883-L900 HydrophobicContact CD1-CD2 4.11Å; Y883-F908 HydrophobicContact CE1-CD2 4.11Å; Y883-N911 HydrophobicContact CE2-CB 4.21Å; Y883-F915 HydrophobicContact CD1-CD2 4.1Å; Y883-F915 HydrophobicContact CD2-CB 3.99Å; Y883-F915 HydrophobicContact CD2-CD2 4.4Å; Y883-F915 HydrophobicContact CE2-CB 4.36Å; Y883-F915 HydrophobicContact CG-CB 4.29Å; Y883-F915 AromaticContact CG-CD2 3.84Å; Y883-F915 HydrophobicContact CG-CD2 3.84Å
884E91.1Very high90.5Very high102 Ų10261.6 Ų61.648%0.47727%0.271SS..Hα-helixtrans-59-49.8178.5-173.1-171178.600111.6Q882 A886 V887 Q888Q882-E884 PolarHBondContact O-N 2.89Å; E884-A886 VanDerWaalsContact C-N 3.34Å; E884-A886 PolarHBondContact O-N 2.9Å; E884-V887 PolarHBondContact O-N 3.29Å; E884-Q888 WeakPolarHBondContact O-CG 3.13Å; E884-Q888 PolarHBondContact O-N 3.02Å
885Q90.3Very high90.6Very high85 Ų8561.8 Ų61.840%0.39727%0.272SS..Hα-helixtrans-64.8-39.6177.8-65.2-179.514.700111.3L877 Q882 Y883 Q888 M889L877-Q885 HydrophobicContact CD1-CB 4Å; L877-Q885 HydrophobicContact CD2-CB 4.29Å; Q882-Q885 PolarHBondContact O-N 2.57Å; Y883-Q885 PolarHBondContact O-N 2.79Å; Q885-Q888 PolarHBondContact O-N 3.35Å; Q885-M889 WeakPolarHBondContact O-CB 3.43Å; Q885-M889 PolarHBondContact O-N 3.39Å
886A92.9Very high90.7Very high0 Ų062.7 Ų62.70%028%0.276CS..Hα-helixtrans-61.2-47.2176.600000111.4L874 L877 L878 Q882 Y883 E884 M889 M890L874-A886 HydrophobicContact CD2-CB 4.16Å; L877-A886 HydrophobicContact CB-CB 4.17Å; L877-A886 HydrophobicContact CD1-CB 4.41Å; L878-A886 HydrophobicContact CD2-CB 3.89Å; Q882-A886 PolarHBondContact O-N 3.1Å; Q882-A886 VanDerWaalsContact O-N 3.12Å; Y883-A886 PolarHBondContact O-N 3.07Å; E884-A886 VanDerWaalsContact C-N 3.34Å; E884-A886 PolarHBondContact O-N 2.9Å; A886-M889 PolarHBondContact O-N 3.06Å; A886-M890 WeakPolarHBondContact O-CB 3.46Å; A886-M890 WeakPolarHBondContact O-CG 3.45Å; A886-M890 PolarHBondContact O-N 3.01Å
887V92.4Very high91Very high2 Ų260.2 Ų60.21%0.01227%0.265CS..Hα-helixtrans-64.6-43.1179.3161.30000112.2Y883 E884 M889 M890 R891 F897 L900 F915 I919 L924Y883-V887 WeakPolarHBondContact O-CB 3.38Å; Y883-V887 PolarHBondContact O-N 2.81Å; E884-V887 PolarHBondContact O-N 3.29Å; V887-M889 VanDerWaalsContact C-N 3.29Å; V887-M889 PolarHBondContact O-N 3.28Å; V887-M890 PolarHBondContact O-N 3.09Å; V887-R891 WeakPolarHBondContact O-CB 3.35Å; V887-R891 PolarHBondContact O-N 3.38Å; V887-F897 HydrophobicContact CB-CE1 4.42Å; V887-F897 HydrophobicContact CG1-CE1 3.77Å; V887-F897 HydrophobicContact CG1-CZ 4.08Å; V887-F897 HydrophobicContact CG2-CE1 4.14Å; V887-L900 HydrophobicContact CG2-CD1 3.77Å; V887-L900 HydrophobicContact CG2-CD2 4.26Å; V887-F915 HydrophobicContact CG2-CE2 4.22Å; V887-I919 HydrophobicContact CB-CD1 3.81Å; V887-I919 HydrophobicContact CG1-CD1 4.17Å; V887-I919 HydrophobicContact CG2-CD1 3.44Å; V887-I919 VanDerWaalsContact CG2-CD1 3.44Å; V887-L924 HydrophobicContact CG1-CB 4.4Å; V887-L924 HydrophobicContact CG1-CD1 4.07Å; V887-L924 HydrophobicContact CG1-CD2 3.98Å; V887-L924 HydrophobicContact CG1-CG 4.4Å
888Q90.6Very high91.1Very high107 Ų10759.9 Ų59.950%0.526%0.263SS..Hα-helixtrans-60.6-41.8175.3-71.9177.5500111.4E884 Q885 R891 R892E884-Q888 WeakPolarHBondContact O-CG 3.13Å; E884-Q888 PolarHBondContact O-N 3.02Å; Q885-Q888 PolarHBondContact O-N 3.35Å; Q888-R891 PolarHBondContact O-N 3.03Å; Q888-R892 WeakPolarHBondContact O-CB 3.21Å; Q888-R892 PolarHBondContact O-N 3.34Å
889M90.8Very high91.2Very high23 Ų2359.6 Ų59.611%0.11326%0.262CS..Hα-helixtrans-69.9-41.9178.6-164.416967.100112.1T850 V870 H873 L874 L877 Q885 A886 V887 R891 R892 H893T850-M889 HydrophobicContact CG2-SD 4.17Å; V870-M889 HydrophobicContact CG1-CE 4.37Å; V870-M889 HydrophobicContact CG1-CG 4.47Å; H873-M889 HydrophobicContact CB-CE 4.06Å; H873-M889 HydrophobicContact CB-SD 4.49Å; L874-M889 HydrophobicContact CB-CE 4.07Å; L874-M889 HydrophobicContact CD1-CE 4.4Å; L874-M889 HydrophobicContact CD2-CB 4.35Å; L874-M889 HydrophobicContact CD2-CE 3.26Å; L874-M889 HydrophobicContact CG-CE 3.26Å; L877-M889 HydrophobicContact CD1-CE 3.95Å; Q885-M889 WeakPolarHBondContact O-CB 3.43Å; Q885-M889 PolarHBondContact O-N 3.39Å; A886-M889 PolarHBondContact O-N 3.06Å; V887-M889 VanDerWaalsContact C-N 3.29Å; V887-M889 PolarHBondContact O-N 3.28Å; M889-R891 VanDerWaalsContact C-N 3.31Å; M889-R891 PolarHBondContact O-N 3.48Å; M889-R892 PolarHBondContact O-N 2.94Å; M889-H893 PolarHBondContact O-CD2 3.46Å; M889-H893 VanDerWaalsContact O-CD2 3.29Å; M889-H893 PolarHBondContact O-N 3.3Å
890M94Very high91.5Very high0 Ų056 Ų560%024%0.242CC..Hα-helixtrans-59.4-42.9174.1-71.8171.8125.900111.4L874 A886 V887 R894 I895 F897 L899 L900L874-M890 HydrophobicContact CD1-CE 4.49Å; L874-M890 HydrophobicContact CD1-CG 3.93Å; L874-M890 HydrophobicContact CD2-CG 3.67Å; L874-M890 HydrophobicContact CD2-SD 4.45Å; L874-M890 HydrophobicContact CG-CG 4.5Å; A886-M890 WeakPolarHBondContact O-CB 3.46Å; A886-M890 WeakPolarHBondContact O-CG 3.45Å; A886-M890 PolarHBondContact O-N 3.01Å; V887-M890 PolarHBondContact O-N 3.09Å; M890-R894 CarbonylContact O-C 3.49Å; M890-R894 VanDerWaalsContact O-CA 3.31Å; M890-R894 WeakPolarHBondContact O-CA 3.4Å; M890-R894 PolarHBondContact O-N 3.13Å; M890-I895 HydrophobicContact CB-CB 3.99Å; M890-I895 HydrophobicContact CE-CG2 3.82Å; M890-I895 HydrophobicContact CG-CB 3.92Å; M890-I895 HydrophobicContact CG-CG2 3.99Å; M890-I895 PolarHBondContact O-N 2.96Å; M890-F897 HydrophobicContact CB-CD2 4.29Å; M890-F897 HydrophobicContact CB-CE2 3.9Å; M890-F897 HydrophobicContact CB-CZ 4.28Å; M890-L899 HydrophobicContact CE-CB 3.54Å; M890-L899 HydrophobicContact CE-CD2 4Å; M890-L899 HydrophobicContact CE-CG 4.04Å; M890-L900 HydrophobicContact CE-CG 4.13Å; M890-L900 HydrophobicContact SD-CD1 4.11Å; M890-L900 HydrophobicContact SD-CD2 4.2Å; M890-L900 HydrophobicContact SD-CG 3.76Å
891R91.2Very high91.7Very high153 Ų15352.1 Ų52.158%0.57722%0.221SC*.Hα-helixtrans-64.3-48.4175.4-173.4175.7168.4-175.9-2111.9V887 Q888 M889 H893 R894 F897V887-R891 WeakPolarHBondContact O-CB 3.35Å; V887-R891 PolarHBondContact O-N 3.38Å; Q888-R891 PolarHBondContact O-N 3.03Å; M889-R891 VanDerWaalsContact C-N 3.31Å; M889-R891 PolarHBondContact O-N 3.48Å; R891-H893 VanDerWaalsContact C-N 3.33Å; R891-H893 PolarHBondContact O-N 3.21Å; R891-R894 PolarHBondContact O-N 3.01Å; R891-F897 HydrophobicContact CB-CE2 4.39Å; R891-F897 HydrophobicContact CB-CZ 4.12Å
892R91.7Very high91.7Very high161 Ų16148.8 Ų48.861%0.60821%0.207SC*.Hα-helixtrans-58.5-43.7-179.7-178.6178175.1-177.4-6.4111.9E863 H865 Q888 M889E863-R892 IonicContact OE1-NH2 3.65Å; H865-R892 PolarHBondContact NE2-NH2 3.36Å; Q888-R892 WeakPolarHBondContact O-CB 3.21Å; Q888-R892 PolarHBondContact O-N 3.34Å; M889-R892 PolarHBondContact O-N 2.94Å
893H91.5Very high91.6Very high36 Ų3647.6 Ų47.617%0.16720%0.2CC..THydrogen-bonded Turntrans-99.17.9-176.5-60.3-71.1000113.9H865 R867 V870 M889 R891 I895H865-H893 AromaticContact CD2-CE1 3.64Å; H865-H893 AromaticContact CE1-CE1 3.89Å; H865-H893 AromaticContact CG-CE1 3.37Å; H865-H893 AromaticContact ND1-CE1 3.56Å; H865-H893 AromaticContact NE2-CE1 3.91Å; R867-H893 PolarHBondContact NH1-O 3.07Å; V870-H893 HydrophobicContact CG1-CB 4.11Å; M889-H893 PolarHBondContact O-CD2 3.46Å; M889-H893 VanDerWaalsContact O-CD2 3.29Å; M889-H893 PolarHBondContact O-N 3.3Å; R891-H893 VanDerWaalsContact C-N 3.33Å; R891-H893 PolarHBondContact O-N 3.21Å; H893-I895 HydrophobicContact CB-CG1 4.27Å; H893-I895 PolarHBondContact O-N 3.41Å
894R91.2Very high91.5Very high221 Ų22150.2 Ų50.283%0.83421%0.214SC*.THydrogen-bonded Turntrans52.451.4-179.6-54.6179.7-179178.5-0.2112.3R867 M890 R891R867-R894 PolarHBondContact NH2-O 2.86Å; M890-R894 CarbonylContact O-C 3.49Å; M890-R894 VanDerWaalsContact O-CA 3.31Å; M890-R894 WeakPolarHBondContact O-CA 3.4Å; M890-R894 PolarHBondContact O-N 3.13Å; R891-R894 PolarHBondContact O-N 3.01Å
895I92Very high91.4Very high3 Ų347 Ų472%0.01520%0.202CC..  trans-86.8132.8171-57.8-97.8000107.6R867 V870 L871 L874 M890 H893 F897 L899R867-I895 VanDerWaalsContact NE-CD1 3.29Å; V870-I895 HydrophobicContact CG1-CD1 3.81Å; V870-I895 HydrophobicContact CG1-CG1 4.09Å; L871-I895 HydrophobicContact CD2-CD1 3.74Å; L871-I895 HydrophobicContact CG-CD1 4.33Å; L874-I895 HydrophobicContact CD1-CB 4.27Å; L874-I895 HydrophobicContact CD1-CD1 3.87Å; L874-I895 HydrophobicContact CD1-CG1 3.92Å; L874-I895 HydrophobicContact CD1-CG2 3.86Å; M890-I895 HydrophobicContact CB-CB 3.99Å; M890-I895 HydrophobicContact CE-CG2 3.82Å; M890-I895 HydrophobicContact CG-CB 3.92Å; M890-I895 HydrophobicContact CG-CG2 3.99Å; M890-I895 PolarHBondContact O-N 2.96Å; H893-I895 HydrophobicContact CB-CG1 4.27Å; H893-I895 PolarHBondContact O-N 3.41Å; I895-F897 WeakPolarHBondContact O-CD2 3.46Å; I895-F897 PolarHBondContact O-N 2.85Å; I895-L899 HydrophobicContact CG2-CD2 3.95Å
896N91.1Very high91.3Very high39 Ų3948.5 Ų48.521%0.20921%0.213CC..  trans-55.7122.6174.1-171.5-38.9000111N898 L899 Y942N896-N898 PolarHBondContact O-N 2.95Å; N896-N898 WeakPolarHBondContact OD1-CB 3.44Å; N896-N898 PolarHBondContact OD1-N 3.28Å; N896-N898 PolarHBondContact OD1-ND2 2.86Å; N896-L899 WeakPolarHBondContact O-CB 3.29Å; N896-L899 PolarHBondContact O-N 3.21Å; N896-Y942 HydrophobicContact CB-CE2 4.18Å; N896-Y942 WeakPolarHBondContact CB-OH 3.4Å; N896-Y942 PolarHBondContact N-OH 2.93Å
897F92.4Very high91.2Very high6 Ų650.5 Ų50.53%0.02622%0.223CC..THydrogen-bonded Turntrans-65.7-19.6-174.7-90.6-117.4000113.9V887 M890 R891 I895 L899 L900 L927 F928 D931V887-F897 HydrophobicContact CB-CE1 4.42Å; V887-F897 HydrophobicContact CG1-CE1 3.77Å; V887-F897 HydrophobicContact CG1-CZ 4.08Å; V887-F897 HydrophobicContact CG2-CE1 4.14Å; M890-F897 HydrophobicContact CB-CD2 4.29Å; M890-F897 HydrophobicContact CB-CE2 3.9Å; M890-F897 HydrophobicContact CB-CZ 4.28Å; R891-F897 HydrophobicContact CB-CE2 4.39Å; R891-F897 HydrophobicContact CB-CZ 4.12Å; I895-F897 WeakPolarHBondContact O-CD2 3.46Å; I895-F897 PolarHBondContact O-N 2.85Å; F897-L899 PolarHBondContact O-N 3.17Å; F897-L900 HydrophobicContact CD1-CD1 4.1Å; F897-L900 WeakPolarHBondContact O-CB 3.36Å; F897-L900 PolarHBondContact O-N 3.46Å; F897-L900 VanDerWaalsContact O-N 3.08Å; F897-L927 HydrophobicContact CE1-CD2 4.4Å; F897-L927 HydrophobicContact CE2-CD2 4.35Å; F897-L927 HydrophobicContact CZ-CD2 4.03Å; F897-F928 HydrophobicContact CB-CD2 4.07Å; F897-F928 HydrophobicContact CD1-CB 3.93Å; F897-F928 HydrophobicContact CD1-CD2 4.23Å; F897-F928 WeakPolarHBondContact O-CE2 3.44Å; F897-D931 HydrophobicContact CB-CB 4.05Å
898N91.6Very high91.2Very high0 Ų050.5 Ų50.50%022%0.223CC..THydrogen-bonded Turntrans-54.5-28.3172.8-80.7-83.5000113N896 L900 H901 D902 D931 L932 V933 V937 K961N896-N898 PolarHBondContact O-N 2.95Å; N896-N898 WeakPolarHBondContact OD1-CB 3.44Å; N896-N898 PolarHBondContact OD1-N 3.28Å; N896-N898 PolarHBondContact OD1-ND2 2.86Å; N898-L900 PolarHBondContact O-N 3.38Å; N898-L900 VanDerWaalsContact O-N 3.12Å; N898-H901 PolarHBondContact O-N 2.9Å; N898-D902 PolarHBondContact O-N 2.81Å; N898-D931 PolarHBondContact ND2-O 3.05Å; N898-L932 WeakPolarHBondContact OD1-CA 3.25Å; N898-L932 WeakPolarHBondContact OD1-CD2 3.49Å; N898-V933 PolarHBondContact ND2-N 3.5Å; N898-V933 PolarHBondContact OD1-N 2.93Å; N898-V933 PolarHBondContact OD1-O 2.9Å; N898-V937 HydrophobicContact CB-CB 4.41Å; N898-V937 HydrophobicContact CB-CG1 3.69Å; N898-V937 HydrophobicContact CB-CG2 3.81Å; N898-K961 PolarHBondContact OD1-NZ 3.03Å
899L92Very high91.2Very high0 Ų046.5 Ų46.50%021%0.205CC..Hα-helixtrans-60.3-23.6-179.4-178.269000112.6L871 L874 M890 I895 N896 F897 H901 Y903 V937 T938 Y942 Y946L871-L899 HydrophobicContact CD2-CD2 3.79Å; L874-L899 HydrophobicContact CD1-CD2 4.24Å; M890-L899 HydrophobicContact CE-CB 3.54Å; M890-L899 HydrophobicContact CE-CD2 4Å; M890-L899 HydrophobicContact CE-CG 4.04Å; I895-L899 HydrophobicContact CG2-CD2 3.95Å; N896-L899 WeakPolarHBondContact O-CB 3.29Å; N896-L899 PolarHBondContact O-N 3.21Å; F897-L899 PolarHBondContact O-N 3.17Å; L899-H901 VanDerWaalsContact C-N 3.25Å; L899-H901 PolarHBondContact O-N 3.03Å; L899-Y903 WeakPolarHBondContact O-CB 3.21Å; L899-Y903 PolarHBondContact O-N 3.31Å; L899-V937 HydrophobicContact CB-CG2 4.04Å; L899-V937 HydrophobicContact CD1-CG2 4.45Å; L899-T938 HydrophobicContact CD1-CG2 3.65Å; L899-Y942 HydrophobicContact CB-CE2 4.35Å; L899-Y942 HydrophobicContact CD1-CD2 4.29Å; L899-Y942 HydrophobicContact CD2-CD2 4.5Å; L899-Y942 HydrophobicContact CD2-CE2 4.39Å; L899-Y946 HydrophobicContact CD1-CD2 4.23Å; L899-Y946 HydrophobicContact CD1-CE2 3.52Å; L899-Y946 HydrophobicContact CD2-CE2 4.15Å; L899-Y946 HydrophobicContact CG-CE2 4.48Å
900L92.8Very high91.3Very high4 Ų449.6 Ų49.62%0.02123%0.229CC..Hα-helixtrans-56.4-41.5171.9-78.1157.8000112.1L878 Y883 V887 M890 F897 N898 F908 F915 F928L878-L900 HydrophobicContact CD2-CD2 3.61Å; Y883-L900 HydrophobicContact CD1-CD2 4.11Å; V887-L900 HydrophobicContact CG2-CD1 3.77Å; V887-L900 HydrophobicContact CG2-CD2 4.26Å; M890-L900 HydrophobicContact CE-CG 4.13Å; M890-L900 HydrophobicContact SD-CD1 4.11Å; M890-L900 HydrophobicContact SD-CD2 4.2Å; M890-L900 HydrophobicContact SD-CG 3.76Å; F897-L900 HydrophobicContact CD1-CD1 4.1Å; F897-L900 WeakPolarHBondContact O-CB 3.36Å; F897-L900 PolarHBondContact O-N 3.46Å; F897-L900 VanDerWaalsContact O-N 3.08Å; N898-L900 PolarHBondContact O-N 3.38Å; N898-L900 VanDerWaalsContact O-N 3.12Å; L900-F908 HydrophobicContact CB-CD2 4.42Å; L900-F908 HydrophobicContact CB-CE2 4.12Å; L900-F908 WeakPolarHBondContact O-CB 3.49Å; L900-F908 WeakPolarHBondContact O-CD2 3.34Å; L900-F908 WeakPolarHBondContact O-CG 3.25Å; L900-F915 HydrophobicContact CD1-CE2 4.13Å; L900-F915 HydrophobicContact CD2-CE2 4.41Å; L900-F928 HydrophobicContact CB-CD2 4.44Å; L900-F928 HydrophobicContact CB-CE2 3.86Å; L900-F928 HydrophobicContact CD1-CD2 3.52Å; L900-F928 HydrophobicContact CD1-CE2 3.81Å; L900-F928 HydrophobicContact CD1-CG 4.36Å; L900-F928 HydrophobicContact CG-CE2 4.48Å
901H92Very high91.2Very high12 Ų1250.6 Ų50.66%0.05623%0.234CC..Hα-helixtrans-85.7-53.7175.8169.6-86.4000110.8N898 L899 Y903 N904 P905 F908 I965N898-H901 PolarHBondContact O-N 2.9Å; L899-H901 VanDerWaalsContact C-N 3.25Å; L899-H901 PolarHBondContact O-N 3.03Å; H901-Y903 VanDerWaalsContact C-N 3.28Å; H901-Y903 PolarHBondContact O-N 2.83Å; H901-N904 CarbonylContact O-C 3.47Å; H901-N904 PolarHBondContact O-N 2.76Å; H901-P905 VanDerWaalsContact O-CA 3.24Å; H901-P905 WeakPolarHBondContact O-CA 3.46Å; H901-P905 WeakPolarHBondContact O-CD 3.49Å; H901-F908 HydrophobicContact CB-CD1 3.82Å; H901-F908 HydrophobicContact CB-CE1 4.11Å; H901-F908 HydrophobicContact CB-CG 4.44Å; H901-F908 AromaticContact CD2-CD1 3.94Å; H901-I965 HydrophobicContact CB-CD1 4.35Å; H901-I965 VanDerWaalsContact CD2-CD1 3.49Å; H901-I965 WeakPolarHBondContact CD2-CD1 3.42Å
902D90.6Very high91.2Very high3 Ų343.5 Ų43.52%0.01621%0.208CC..Hα-helixtrans-67-26.8-167.1-69.8-9000113.7N898 N904 D936 V937 T938 K961N898-D902 PolarHBondContact O-N 2.81Å; D902-N904 PolarHBondContact O-N 3.28Å; D902-D936 WeakPolarHBondContact CB-OD1 3.39Å; D902-D936 WeakPolarHBondContact OD2-CA 3.34Å; D902-V937 HydrophobicContact CB-CG2 4.02Å; D902-V937 PolarHBondContact OD2-N 3.04Å; D902-T938 HydrophobicContact CB-CG2 3.99Å; D902-K961 WeakPolarHBondContact OD1-CE 3.43Å; D902-K961 IonicContact OD1-NZ 3.65Å; D902-K961 PolarHBondContact OD1-NZ 3.12Å; D902-K961 IonicContact OD2-NZ 3.58Å; D902-K961 PolarHBondContact OD2-NZ 2.74Å
903Y89.5Confident91.2Very high38 Ų3841.8 Ų41.815%0.14921%0.205CC..THydrogen-bonded Turntrans-58.7-47.1175.4174.5-104.1000112.2S875 L878 N879 L899 H901 Y946S875-Y903 WeakPolarHBondContact CB-OH 3.41Å; L878-Y903 HydrophobicContact CB-CD1 3.88Å; L878-Y903 HydrophobicContact CB-CE1 3.99Å; L878-Y903 HydrophobicContact CD1-CD1 3.84Å; L878-Y903 HydrophobicContact CD1-CG 3.93Å; N879-Y903 VanDerWaalsContact CG-OH 3.29Å; N879-Y903 PolarHBondContact ND2-OH 2.85Å; N879-Y903 WeakPolarHBondContact OD1-CE1 3.29Å; N879-Y903 PolarHBondContact OD1-OH 2.97Å; L899-Y903 WeakPolarHBondContact O-CB 3.21Å; L899-Y903 PolarHBondContact O-N 3.31Å; H901-Y903 VanDerWaalsContact C-N 3.28Å; H901-Y903 PolarHBondContact O-N 2.83Å; Y903-Y946 HydrophobicContact CD2-CD1 4.3Å; Y903-Y946 AromaticContact CD2-CE1 3.69Å; Y903-Y946 HydrophobicContact CD2-CE1 3.69Å; Y903-Y946 HydrophobicContact CE2-CD1 4.38Å; Y903-Y946 AromaticContact CE2-CE1 3.74Å; Y903-Y946 HydrophobicContact CE2-CE1 3.74Å
904N89.5Confident91.1Very high59 Ų5943.8 Ų43.832%0.31621%0.214SC..  trans-151.788.5173.9-169.9-19.4000110.8H901 D902 N906 L907 F908H901-N904 CarbonylContact O-C 3.47Å; H901-N904 PolarHBondContact O-N 2.76Å; D902-N904 PolarHBondContact O-N 3.28Å; N904-N906 VanDerWaalsContact C-N 3.3Å; N904-N906 PolarHBondContact O-N 3.14Å; N904-L907 HydrophobicContact CB-CB 3.96Å; N904-L907 VanDerWaalsContact CG-CB 3.45Å; N904-L907 PolarHBondContact O-N 3.48Å; N904-L907 PolarHBondContact OD1-N 2.98Å; N904-F908 PolarHBondContact O-N 2.86Å
905P89.5Confident91.2Very high36 Ų3633.2 Ų33.223%0.23417%0.174CC..Hα-helixtrans-55.9-41.9-173.8-31.437.3000113.3H901 F908 L909H901-P905 VanDerWaalsContact O-CA 3.24Å; H901-P905 WeakPolarHBondContact O-CA 3.46Å; H901-P905 WeakPolarHBondContact O-CD 3.49Å; P905-F908 PolarHBondContact O-N 2.97Å; P905-L909 WeakPolarHBondContact O-CB 3.5Å; P905-L909 WeakPolarHBondContact O-CG 3.45Å; P905-L909 PolarHBondContact O-N 3.03Å
906N88.7Confident91.2Very high116 Ų11633.3 Ų33.362%0.6218%0.175SC*.Hα-helixtrans-69.3-40.8-177.3-65.1-26.2000112N904 S910N904-N906 VanDerWaalsContact C-N 3.3Å; N904-N906 PolarHBondContact O-N 3.14Å; N906-S910 WeakPolarHBondContact O-CB 3.34Å; N906-S910 PolarHBondContact O-N 2.76Å; N906-S910 PolarHBondContact O-OG 3.31Å
907L90.5Very high91.1Very high42 Ų4236.3 Ų36.322%0.2219%0.188CC..Hα-helixtrans-67-41.7176.9-175.168.7000111N904 S910 N911N904-L907 HydrophobicContact CB-CB 3.96Å; N904-L907 VanDerWaalsContact CG-CB 3.45Å; N904-L907 PolarHBondContact O-N 3.48Å; N904-L907 PolarHBondContact OD1-N 2.98Å; L907-S910 PolarHBondContact O-OG 3.37Å; L907-S910 VanDerWaalsContact O-OG 3.05Å; L907-N911 PolarHBondContact O-N 2.89Å; L907-N911 PolarHBondContact O-ND2 2.91Å
908F92.7Very high90.9Very high2 Ų237.8 Ų37.81%0.00920%0.198CC..Hα-helixtrans-66-52178.9-179.5-107.4000111.8Y883 L900 H901 N904 P905 S910 N911 I912 F915 F928 F969Y883-F908 HydrophobicContact CE1-CD2 4.11Å; L900-F908 HydrophobicContact CB-CD2 4.42Å; L900-F908 HydrophobicContact CB-CE2 4.12Å; L900-F908 WeakPolarHBondContact O-CB 3.49Å; L900-F908 WeakPolarHBondContact O-CD2 3.34Å; L900-F908 WeakPolarHBondContact O-CG 3.25Å; H901-F908 HydrophobicContact CB-CD1 3.82Å; H901-F908 HydrophobicContact CB-CE1 4.11Å; H901-F908 HydrophobicContact CB-CG 4.44Å; H901-F908 AromaticContact CD2-CD1 3.94Å; N904-F908 PolarHBondContact O-N 2.86Å; P905-F908 PolarHBondContact O-N 2.97Å; F908-S910 VanDerWaalsContact C-N 3.27Å; F908-S910 PolarHBondContact O-N 2.9Å; F908-N911 CarbonylContact O-C 3.43Å; F908-N911 PolarHBondContact O-N 2.93Å; F908-I912 HydrophobicContact CE1-CG1 4.27Å; F908-I912 PolarHBondContact O-N 3.08Å; F908-F915 AromaticContact CE2-CD2 3.91Å; F908-F915 HydrophobicContact CE2-CD2 3.91Å; F908-F915 HydrophobicContact CE2-CE2 4.27Å; F908-F915 HydrophobicContact CE2-CG 4.2Å; F908-F928 HydrophobicContact CE1-CE1 4.23Å; F908-F928 AromaticContact CE1-CZ 3.78Å; F908-F928 HydrophobicContact CE1-CZ 3.78Å; F908-F928 AromaticContact CZ-CE1 3.87Å; F908-F928 HydrophobicContact CZ-CE1 3.87Å; F908-F928 HydrophobicContact CZ-CE2 4.35Å; F908-F928 AromaticContact CZ-CZ 3.55Å; F908-F928 HydrophobicContact CZ-CZ 3.55Å; F908-F969 AromaticContact CE1-CE2 3.88Å; F908-F969 HydrophobicContact CE1-CE2 3.88Å; F908-F969 HydrophobicContact CE1-CZ 4.29Å; F908-F969 AromaticContact CZ-CE2 3.98Å; F908-F969 HydrophobicContact CZ-CE2 3.98Å; F908-F969 AromaticContact CZ-CZ 3.91Å; F908-F969 HydrophobicContact CZ-CZ 3.91Å
909L90.5Very high90.7Very high22 Ų2238 Ų3812%0.11520%0.2CC..Hα-helixtrans-60.6-34.3-177.4-68.3176.9000112.9P905 N911 I912 I965 I968P905-L909 WeakPolarHBondContact O-CB 3.5Å; P905-L909 WeakPolarHBondContact O-CG 3.45Å; P905-L909 PolarHBondContact O-N 3.03Å; L909-N911 VanDerWaalsContact C-N 3.28Å; L909-N911 PolarHBondContact O-N 3.28Å; L909-I912 HydrophobicContact CD2-CD1 3.8Å; L909-I965 HydrophobicContact CD2-CG1 4.35Å; L909-I968 HydrophobicContact CD1-CD1 4.49Å; L909-I968 HydrophobicContact CD2-CD1 3.88Å
910S91.6Very high90.2Very high88 Ų8842.4 Ų42.462%0.61522%0.223SC*.Hα-helixtrans-73.5-15.6176.155.60000114.3N906 L907 F908N906-S910 WeakPolarHBondContact O-CB 3.34Å; N906-S910 PolarHBondContact O-N 2.76Å; N906-S910 PolarHBondContact O-OG 3.31Å; L907-S910 PolarHBondContact O-OG 3.37Å; L907-S910 VanDerWaalsContact O-OG 3.05Å; F908-S910 VanDerWaalsContact C-N 3.27Å; F908-S910 PolarHBondContact O-N 2.9Å
911N92.8Very high90Very high22 Ų2245.2 Ų45.212%0.11824%0.238CC..THydrogen-bonded Turntrans-121.720-176-60.7-79.4000113.3K881 Y883 L907 F908 L909 K913 Q914 F915K881-N911 PolarHBondContact NZ-OD1 2.82Å; Y883-N911 HydrophobicContact CE2-CB 4.21Å; L907-N911 PolarHBondContact O-N 2.89Å; L907-N911 PolarHBondContact O-ND2 2.91Å; F908-N911 CarbonylContact O-C 3.43Å; F908-N911 PolarHBondContact O-N 2.93Å; L909-N911 VanDerWaalsContact C-N 3.28Å; L909-N911 PolarHBondContact O-N 3.28Å; N911-K913 PolarHBondContact O-N 3.18Å; N911-Q914 HydrophobicContact CB-CB 4.46Å; N911-Q914 WeakPolarHBondContact O-CB 3.34Å; N911-Q914 PolarHBondContact O-N 3.43Å; N911-F915 PolarHBondContact O-N 2.87Å
912I92.1Very high89.9Confident3 Ų345.9 Ų45.92%0.01524%0.244CC..Hα-helixtrans-55.4-37.9176.9-74.5169.9000111.9F908 L909 Q914 F915 L916 I968 F969 E972F908-I912 HydrophobicContact CE1-CG1 4.27Å; F908-I912 PolarHBondContact O-N 3.08Å; L909-I912 HydrophobicContact CD2-CD1 3.8Å; I912-Q914 VanDerWaalsContact C-N 3.33Å; I912-Q914 PolarHBondContact O-N 2.95Å; I912-F915 WeakPolarHBondContact O-CB 3.38Å; I912-F915 PolarHBondContact O-N 3.4Å; I912-F915 VanDerWaalsContact O-N 3.17Å; I912-L916 HydrophobicContact CG2-CD1 4.15Å; I912-L916 HydrophobicContact CG2-CG 4.33Å; I912-L916 WeakPolarHBondContact O-CG 3.45Å; I912-L916 PolarHBondContact O-N 2.94Å; I912-I968 HydrophobicContact CD1-CB 4.19Å; I912-I968 HydrophobicContact CD1-CG2 3.51Å; I912-F969 HydrophobicContact CD1-CD2 3.88Å; I912-F969 HydrophobicContact CD1-CE2 3.68Å; I912-F969 HydrophobicContact CG1-CE2 3.93Å; I912-F969 HydrophobicContact CG1-CZ 4.33Å; I912-F969 HydrophobicContact CG2-CD2 4.41Å; I912-F969 HydrophobicContact CG2-CE1 4.29Å; I912-F969 HydrophobicContact CG2-CE2 4.2Å; I912-F969 HydrophobicContact CG2-CZ 4.14Å; I912-E972 HydrophobicContact CG2-CB 4.23Å; I912-E972 HydrophobicContact CG2-CG 4.33Å
913K90.3Very high89.9Confident126 Ų12651.4 Ų51.455%0.54827%0.273SS..Hα-helixtrans-58.9-42.8175.6-175.7177179.8178.60112.5N911 Q917N911-K913 PolarHBondContact O-N 3.18Å; K913-Q917 VanDerWaalsContact O-CG 3.3Å; K913-Q917 WeakPolarHBondContact O-CG 3.13Å; K913-Q917 PolarHBondContact O-N 3.48Å; K913-Q917 VanDerWaalsContact O-N 3.1Å
914Q90.7Very high89.9Confident77 Ų7750.6 Ų50.636%0.3627%0.271SS..Hα-helixtrans-68.5-38.5176.8-174.8-179.9-7.200111N911 I912 Q917 S918N911-Q914 HydrophobicContact CB-CB 4.46Å; N911-Q914 WeakPolarHBondContact O-CB 3.34Å; N911-Q914 PolarHBondContact O-N 3.43Å; I912-Q914 VanDerWaalsContact C-N 3.33Å; I912-Q914 PolarHBondContact O-N 2.95Å; Q914-Q917 PolarHBondContact O-N 3.37Å; Q914-S918 WeakPolarHBondContact O-CB 3.41Å; Q914-S918 PolarHBondContact O-N 3.13Å; Q914-S918 PolarHBondContact O-OG 3.4Å
915F92.4Very high90.1Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-56.5-51.8173.7172.6-90.9000111.3Y883 V887 L900 F908 N911 I912 Q917 S918 I919 I925 F928 F969Y883-F915 HydrophobicContact CD1-CD2 4.1Å; Y883-F915 HydrophobicContact CD2-CB 3.99Å; Y883-F915 HydrophobicContact CD2-CD2 4.4Å; Y883-F915 HydrophobicContact CE2-CB 4.36Å; Y883-F915 HydrophobicContact CG-CB 4.29Å; Y883-F915 AromaticContact CG-CD2 3.84Å; Y883-F915 HydrophobicContact CG-CD2 3.84Å; V887-F915 HydrophobicContact CG2-CE2 4.22Å; L900-F915 HydrophobicContact CD1-CE2 4.13Å; L900-F915 HydrophobicContact CD2-CE2 4.41Å; F908-F915 AromaticContact CE2-CD2 3.91Å; F908-F915 HydrophobicContact CE2-CD2 3.91Å; F908-F915 HydrophobicContact CE2-CE2 4.27Å; F908-F915 HydrophobicContact CE2-CG 4.2Å; N911-F915 PolarHBondContact O-N 2.87Å; I912-F915 WeakPolarHBondContact O-CB 3.38Å; I912-F915 PolarHBondContact O-N 3.4Å; I912-F915 VanDerWaalsContact O-N 3.17Å; F915-Q917 VanDerWaalsContact C-N 3.32Å; F915-Q917 PolarHBondContact O-N 2.78Å; F915-S918 PolarHBondContact O-N 3.42Å; F915-S918 VanDerWaalsContact O-N 3.17Å; F915-S918 PolarHBondContact O-OG 2.99Å; F915-I919 HydrophobicContact CD2-CD1 3.92Å; F915-I919 HydrophobicContact CE1-CD1 4.45Å; F915-I919 HydrophobicContact CE2-CD1 3.39Å; F915-I919 HydrophobicContact CZ-CD1 3.7Å; F915-I919 PolarHBondContact O-N 3.22Å; F915-I925 HydrophobicContact CE1-CG1 4.39Å; F915-F928 HydrophobicContact CZ-CD1 4.29Å; F915-F928 HydrophobicContact CZ-CG 4.36Å; F915-F969 HydrophobicContact CD1-CE1 4.16Å; F915-F969 HydrophobicContact CD1-CZ 4.05Å; F915-F969 AromaticContact CE1-CE1 3.98Å; F915-F969 HydrophobicContact CE1-CE1 3.98Å; F915-F969 AromaticContact CE1-CZ 3.98Å; F915-F969 HydrophobicContact CE1-CZ 3.98Å
916L91.7Very high90.2Very high4 Ų446.6 Ų46.62%0.02125%0.248CC..Hα-helixtrans-62.2-35.9178.5-67.7175000112.9I912 I925 F969 E972 M973I912-L916 HydrophobicContact CG2-CD1 4.15Å; I912-L916 HydrophobicContact CG2-CG 4.33Å; I912-L916 WeakPolarHBondContact O-CG 3.45Å; I912-L916 PolarHBondContact O-N 2.94Å; L916-I925 HydrophobicContact CD2-CD1 3.73Å; L916-I925 HydrophobicContact CD2-CG1 4.42Å; L916-I925 HydrophobicContact CD2-CG2 4.35Å; L916-F969 HydrophobicContact CD2-CD1 4.47Å; L916-F969 HydrophobicContact CD2-CE1 4.12Å; L916-E972 HydrophobicContact CD1-CB 3.99Å; L916-M973 HydrophobicContact CD1-CG 3.85Å; L916-M973 HydrophobicContact CD2-CG 4.03Å; L916-M973 HydrophobicContact CD2-SD 4.41Å
917Q89.3Confident90.3Very high103 Ų10344 Ų4448%0.48123%0.234SC..Hα-helixtrans-71.1-34.1176-73.4175.7-15.300112.9K913 Q914 F915 Y976K913-Q917 VanDerWaalsContact O-CG 3.3Å; K913-Q917 WeakPolarHBondContact O-CG 3.13Å; K913-Q917 PolarHBondContact O-N 3.48Å; K913-Q917 VanDerWaalsContact O-N 3.1Å; Q914-Q917 PolarHBondContact O-N 3.37Å; F915-Q917 VanDerWaalsContact C-N 3.32Å; F915-Q917 PolarHBondContact O-N 2.78Å; Q917-Y976 HydrophobicContact CG-CE2 3.99Å
918S89.3Confident90.4Very high36 Ų3642 Ų4225%0.25222%0.223SC..Hα-helixtrans-79.1-30.2-179.865.10000113.3Q914 F915Q914-S918 WeakPolarHBondContact O-CB 3.41Å; Q914-S918 PolarHBondContact O-N 3.13Å; Q914-S918 PolarHBondContact O-OG 3.4Å; F915-S918 PolarHBondContact O-N 3.42Å; F915-S918 VanDerWaalsContact O-N 3.17Å; F915-S918 PolarHBondContact O-OG 2.99Å
919I87.2Confident90.4Very high5 Ų541.9 Ų41.93%0.02622%0.223CC..  trans-11184.5-179-54.2-175.5000107.7V887 F915 D921 L924 I925V887-I919 HydrophobicContact CB-CD1 3.81Å; V887-I919 HydrophobicContact CG1-CD1 4.17Å; V887-I919 HydrophobicContact CG2-CD1 3.44Å; V887-I919 VanDerWaalsContact CG2-CD1 3.44Å; F915-I919 HydrophobicContact CD2-CD1 3.92Å; F915-I919 HydrophobicContact CE1-CD1 4.45Å; F915-I919 HydrophobicContact CE2-CD1 3.39Å; F915-I919 HydrophobicContact CZ-CD1 3.7Å; F915-I919 PolarHBondContact O-N 3.22Å; I919-D921 PolarHBondContact O-N 3.16Å; I919-L924 HydrophobicContact CG2-CB 3.72Å; I919-L924 HydrophobicContact CG2-CD1 4.03Å; I919-I925 HydrophobicContact CG2-CG1 4.14Å; I919-I925 WeakPolarHBondContact O-CD1 3.29Å
920D80.8Confident90.4Very high93 Ų9342.6 Ų42.650%0.49723%0.23SC..  trans-75.9-7.2-178.1-170.745.7000113.4P922 K980D920-P922 WeakPolarHBondContact O-CD 3.49Å; D920-K980 VanDerWaalsContact O-CE 3.27Å; D920-K980 WeakPolarHBondContact O-CE 3.32Å; D920-K980 PolarHBondContact O-NZ 2.99Å; D920-K980 IonicContact OD1-NZ 2.73Å; D920-K980 PolarHBondContact OD1-NZ 3.33Å; D920-K980 IonicContact OD2-NZ 2.85Å; D920-K980 PolarHBondContact OD2-NZ 3.21Å
921D89.1Confident90.3Very high62 Ų6241.4 Ų41.433%0.33222%0.217SC..  trans-85.2111.2178.9-176.83.5000111.6I919 D923 L924 I925I919-D921 PolarHBondContact O-N 3.16Å; D921-D923 PolarHBondContact O-N 3.4Å; D921-D923 PolarHBondContact OD1-N 2.89Å; D921-L924 HydrophobicContact CB-CB 4.37Å; D921-L924 HydrophobicContact CB-CD1 4.08Å; D921-L924 HydrophobicContact CB-CG 4.23Å; D921-L924 PolarHBondContact O-N 3.13Å; D921-I925 PolarHBondContact O-N 3.25Å
922P90.1Very high90.3Very high27 Ų2740.5 Ų40.518%0.17521%0.212CC..Hα-helixtrans-61.3-27.5179.7-21.534.5000113.7D920 I925 T926 K980 L981 P984D920-P922 WeakPolarHBondContact O-CD 3.49Å; P922-I925 PolarHBondContact O-N 3.24Å; P922-T926 WeakPolarHBondContact O-CB 3.29Å; P922-T926 PolarHBondContact O-N 3.28Å; P922-T926 PolarHBondContact O-OG1 3.07Å; P922-K980 HydrophobicContact CG-CG 3.97Å; P922-L981 HydrophobicContact CB-CD2 4.35Å; P922-L981 HydrophobicContact CG-CD2 4.43Å; P922-P984 HydrophobicContact CB-CG 4.38Å
923D90.4Very high90.2Very high118 Ų11842.4 Ų42.463%0.63122%0.224SC*.Hα-helixtrans-70.1-37.4-178.7-70.7-22000111D921 T926 L927D921-D923 PolarHBondContact O-N 3.4Å; D921-D923 PolarHBondContact OD1-N 2.89Å; D923-T926 PolarHBondContact O-N 3.05Å; D923-L927 WeakPolarHBondContact O-CB 3.24Å; D923-L927 PolarHBondContact O-N 3.23Å
924L89.4Confident90.2Very high21 Ų2140.8 Ų40.811%0.1122%0.218CC..Hα-helixtrans-68-38.5175.5-73.5177.5000112.2V887 I919 D921 L927 F928V887-L924 HydrophobicContact CG1-CB 4.4Å; V887-L924 HydrophobicContact CG1-CD1 4.07Å; V887-L924 HydrophobicContact CG1-CD2 3.98Å; V887-L924 HydrophobicContact CG1-CG 4.4Å; I919-L924 HydrophobicContact CG2-CB 3.72Å; I919-L924 HydrophobicContact CG2-CD1 4.03Å; D921-L924 HydrophobicContact CB-CB 4.37Å; D921-L924 HydrophobicContact CB-CD1 4.08Å; D921-L924 HydrophobicContact CB-CG 4.23Å; D921-L924 PolarHBondContact O-N 3.13Å; L924-L927 PolarHBondContact O-N 2.73Å; L924-F928 PolarHBondContact O-N 2.84Å
925I92.9Very high90Very high1 Ų142.1 Ų42.11%0.00522%0.224CC..Hα-helixtrans-66.7-43.6175.2-60.7167.9000109.9F915 L916 I919 D921 P922 L927 F928 I929 F969 M973 L981 P984F915-I925 HydrophobicContact CE1-CG1 4.39Å; L916-I925 HydrophobicContact CD2-CD1 3.73Å; L916-I925 HydrophobicContact CD2-CG1 4.42Å; L916-I925 HydrophobicContact CD2-CG2 4.35Å; I919-I925 HydrophobicContact CG2-CG1 4.14Å; I919-I925 WeakPolarHBondContact O-CD1 3.29Å; D921-I925 PolarHBondContact O-N 3.25Å; P922-I925 PolarHBondContact O-N 3.24Å; I925-L927 VanDerWaalsContact C-N 3.33Å; I925-L927 PolarHBondContact O-N 3.11Å; I925-F928 WeakPolarHBondContact O-CB 3.34Å; I925-F928 PolarHBondContact O-N 2.88Å; I925-I929 HydrophobicContact CG2-CD1 3.79Å; I925-I929 HydrophobicContact CG2-CG1 4.49Å; I925-I929 WeakPolarHBondContact O-CG1 3.49Å; I925-I929 PolarHBondContact O-N 3.17Å; I925-F969 HydrophobicContact CG2-CE1 4.41Å; I925-M973 HydrophobicContact CG2-SD 4.26Å; I925-L981 HydrophobicContact CD1-CD2 3.78Å; I925-P984 HydrophobicContact CB-CG 4.2Å; I925-P984 HydrophobicContact CG2-CB 3.92Å; I925-P984 HydrophobicContact CG2-CG 4.06Å
926T92.7Very high89.8Confident10 Ų1044.3 Ų44.36%0.06124%0.236CC..Hα-helixtrans-60.2-44.9176.7-56.90000110.9P922 D923 F928 I929 S930 V983 P984P922-T926 WeakPolarHBondContact O-CB 3.29Å; P922-T926 PolarHBondContact O-N 3.28Å; P922-T926 PolarHBondContact O-OG1 3.07Å; D923-T926 PolarHBondContact O-N 3.05Å; T926-F928 VanDerWaalsContact C-N 3.34Å; T926-F928 PolarHBondContact O-N 3.22Å; T926-I929 PolarHBondContact O-N 2.86Å; T926-S930 WeakPolarHBondContact O-CB 3.45Å; T926-S930 PolarHBondContact O-N 2.57Å; T926-S930 PolarHBondContact O-OG 3.41Å; T926-V983 HydrophobicContact CG2-CG1 3.88Å; T926-P984 WeakPolarHBondContact OG1-CD 3.4Å; T926-P984 WeakPolarHBondContact OG1-CG 3.48Å
927L90.6Very high89.7Confident61 Ų6144.1 Ų44.132%0.31924%0.235SC..Hα-helixtrans-59.3-44176-178.964.4000111.8F897 D923 L924 I925 S930 D931F897-L927 HydrophobicContact CE1-CD2 4.4Å; F897-L927 HydrophobicContact CE2-CD2 4.35Å; F897-L927 HydrophobicContact CZ-CD2 4.03Å; D923-L927 WeakPolarHBondContact O-CB 3.24Å; D923-L927 PolarHBondContact O-N 3.23Å; L924-L927 PolarHBondContact O-N 2.73Å; I925-L927 VanDerWaalsContact C-N 3.33Å; I925-L927 PolarHBondContact O-N 3.11Å; L927-S930 WeakPolarHBondContact CA-OG 3.24Å; L927-S930 PolarHBondContact O-N 2.88Å; L927-S930 PolarHBondContact O-OG 2.78Å; L927-D931 WeakPolarHBondContact O-CB 3.38Å; L927-D931 PolarHBondContact O-N 3.02Å
928F92Very high89.6Confident0 Ų039.9 Ų39.90%022%0.216CC..Hα-helixtrans-57.3-52.8174.8168-108.1000111.4F897 L900 F908 F915 L924 I925 T926 S930 D931 L932 F969F897-F928 HydrophobicContact CB-CD2 4.07Å; F897-F928 HydrophobicContact CD1-CB 3.93Å; F897-F928 HydrophobicContact CD1-CD2 4.23Å; F897-F928 WeakPolarHBondContact O-CE2 3.44Å; L900-F928 HydrophobicContact CB-CD2 4.44Å; L900-F928 HydrophobicContact CB-CE2 3.86Å; L900-F928 HydrophobicContact CD1-CD2 3.52Å; L900-F928 HydrophobicContact CD1-CE2 3.81Å; L900-F928 HydrophobicContact CD1-CG 4.36Å; L900-F928 HydrophobicContact CG-CE2 4.48Å; F908-F928 HydrophobicContact CE1-CE1 4.23Å; F908-F928 AromaticContact CE1-CZ 3.78Å; F908-F928 HydrophobicContact CE1-CZ 3.78Å; F908-F928 AromaticContact CZ-CE1 3.87Å; F908-F928 HydrophobicContact CZ-CE1 3.87Å; F908-F928 HydrophobicContact CZ-CE2 4.35Å; F908-F928 AromaticContact CZ-CZ 3.55Å; F908-F928 HydrophobicContact CZ-CZ 3.55Å; F915-F928 HydrophobicContact CZ-CD1 4.29Å; F915-F928 HydrophobicContact CZ-CG 4.36Å; L924-F928 PolarHBondContact O-N 2.84Å; I925-F928 WeakPolarHBondContact O-CB 3.34Å; I925-F928 PolarHBondContact O-N 2.88Å; T926-F928 VanDerWaalsContact C-N 3.34Å; T926-F928 PolarHBondContact O-N 3.22Å; F928-S930 VanDerWaalsContact C-N 3.33Å; F928-S930 PolarHBondContact O-N 3.33Å; F928-D931 PolarHBondContact O-N 3.12Å; F928-L932 HydrophobicContact CE1-CD1 4.24Å; F928-L932 HydrophobicContact CE1-CD2 4.36Å; F928-L932 HydrophobicContact CE1-CG 4.5Å; F928-L932 HydrophobicContact CE2-CD2 3.91Å; F928-L932 HydrophobicContact CZ-CD1 4.41Å; F928-L932 HydrophobicContact CZ-CD2 3.74Å; F928-L932 HydrophobicContact CZ-CG 4.33Å; F928-L932 PolarHBondContact O-N 2.92Å; F928-F969 HydrophobicContact CD1-CE1 4.42Å; F928-F969 HydrophobicContact CD1-CZ 4.02Å; F928-F969 HydrophobicContact CE1-CE1 4.31Å; F928-F969 AromaticContact CE1-CE2 3.75Å; F928-F969 HydrophobicContact CE1-CE2 3.75Å; F928-F969 AromaticContact CE1-CZ 3.52Å; F928-F969 HydrophobicContact CE1-CZ 3.52Å
929I93.8Very high89.3Confident1 Ų143.9 Ų43.91%0.00523%0.231CC..Hα-helixtrans-65.3-38.2-177.5-60.6160.8000110.8I925 T926 D931 L932 F969 M973 P984 T987 K991I925-I929 HydrophobicContact CG2-CD1 3.79Å; I925-I929 HydrophobicContact CG2-CG1 4.49Å; I925-I929 WeakPolarHBondContact O-CG1 3.49Å; I925-I929 PolarHBondContact O-N 3.17Å; T926-I929 PolarHBondContact O-N 2.86Å; I929-D931 VanDerWaalsContact C-N 3.3Å; I929-D931 PolarHBondContact O-N 3.38Å; I929-L932 HydrophobicContact CG2-CD1 4.46Å; I929-L932 WeakPolarHBondContact O-CB 3.3Å; I929-L932 PolarHBondContact O-N 3.31Å; I929-F969 HydrophobicContact CD1-CD1 4.34Å; I929-M973 HydrophobicContact CD1-CE 4.24Å; I929-P984 HydrophobicContact CD1-CB 3.89Å; I929-T987 HydrophobicContact CB-CG2 4.09Å; I929-T987 HydrophobicContact CG2-CG2 3.7Å; I929-K991 HydrophobicContact CG2-CG 4.32Å; I929-K991 WeakPolarHBondContact O-CE 3.27Å
930S90.4Very high89.1Confident36 Ų3646.2 Ų46.225%0.25225%0.245SC..Hα-helixtrans-67-31.8178.366.10000112.9T926 L927 F928 L932 K991T926-S930 WeakPolarHBondContact O-CB 3.45Å; T926-S930 PolarHBondContact O-N 2.57Å; T926-S930 PolarHBondContact O-OG 3.41Å; L927-S930 WeakPolarHBondContact CA-OG 3.24Å; L927-S930 PolarHBondContact O-N 2.88Å; L927-S930 PolarHBondContact O-OG 2.78Å; F928-S930 VanDerWaalsContact C-N 3.33Å; F928-S930 PolarHBondContact O-N 3.33Å; S930-L932 VanDerWaalsContact C-N 3.32Å; S930-K991 WeakPolarHBondContact O-CE 3.24Å; S930-K991 PolarHBondContact O-NZ 3.48Å
931D89.6Confident89.3Confident64 Ų6446.3 Ų46.334%0.34225%0.245SC..Hα-helixtrans-80.9-13178.1-81.34.7000112.8F897 N898 L927 F928 I929 V933F897-D931 HydrophobicContact CB-CB 4.05Å; N898-D931 PolarHBondContact ND2-O 3.05Å; L927-D931 WeakPolarHBondContact O-CB 3.38Å; L927-D931 PolarHBondContact O-N 3.02Å; F928-D931 PolarHBondContact O-N 3.12Å; I929-D931 VanDerWaalsContact C-N 3.3Å; I929-D931 PolarHBondContact O-N 3.38Å; D931-V933 PolarHBondContact O-N 3.31Å
932L91.8Very high89.1Confident2 Ų243.6 Ų43.61%0.0123%0.23CC..  trans-56.8130.6179.2-72174.5000111.8N898 F928 I929 S930 L962 I965 K991N898-L932 WeakPolarHBondContact OD1-CA 3.25Å; N898-L932 WeakPolarHBondContact OD1-CD2 3.49Å; F928-L932 HydrophobicContact CE1-CD1 4.24Å; F928-L932 HydrophobicContact CE1-CD2 4.36Å; F928-L932 HydrophobicContact CE1-CG 4.5Å; F928-L932 HydrophobicContact CE2-CD2 3.91Å; F928-L932 HydrophobicContact CZ-CD1 4.41Å; F928-L932 HydrophobicContact CZ-CD2 3.74Å; F928-L932 HydrophobicContact CZ-CG 4.33Å; F928-L932 PolarHBondContact O-N 2.92Å; I929-L932 HydrophobicContact CG2-CD1 4.46Å; I929-L932 WeakPolarHBondContact O-CB 3.3Å; I929-L932 PolarHBondContact O-N 3.31Å; S930-L932 VanDerWaalsContact C-N 3.32Å; L932-L962 HydrophobicContact CB-CD2 3.54Å; L932-I965 HydrophobicContact CD1-CB 4.49Å; L932-I965 HydrophobicContact CD1-CG2 3.79Å; L932-I965 HydrophobicContact CD2-CD1 4.27Å; L932-K991 PolarHBondContact O-NZ 2.86Å
933V90.9Very high88.6Confident44 Ų4446 Ų4627%0.26724%0.239SC..  trans-126.7157.3174.5-62.10000110.9N898 D931 E935 V937 K961N898-V933 PolarHBondContact ND2-N 3.5Å; N898-V933 PolarHBondContact OD1-N 2.93Å; N898-V933 PolarHBondContact OD1-O 2.9Å; D931-V933 PolarHBondContact O-N 3.31Å; V933-E935 VanDerWaalsContact C-N 3.33Å; V933-E935 HydrophobicContact CB-CG 4.11Å; V933-E935 HydrophobicContact CG2-CG 3.41Å; V933-E935 VanDerWaalsContact CG2-CG 3.41Å; V933-V937 HydrophobicContact CG2-CG1 4.44Å; V933-K961 WeakPolarHBondContact O-CE 3.48Å; V933-K961 PolarHBondContact O-NZ 3.42Å
934E88.8Confident87.9Confident92 Ų9245.2 Ų45.243%0.4323%0.229SC..SBendtrans-70.7-30.1-178.9-16864.8-15400112.3S960 K961 L962E934-S960 WeakPolarHBondContact OE1-CA 3.06Å; E934-S960 PolarHBondContact OE1-OG 3.01Å; E934-S960 PolarHBondContact OE2-OG 3.34Å; E934-K961 PolarHBondContact OE1-N 3.28Å; E934-L962 HydrophobicContact CB-CD1 4.25Å; E934-L962 VanDerWaalsContact OE2-CG 3.28Å; E934-L962 WeakPolarHBondContact OE2-CG 3.41Å; E934-L962 PolarHBondContact OE2-N 2.69Å
935E87.5Confident87.4Confident104 Ų10446.4 Ų46.449%0.48623%0.234SC..SBendtrans-69.7153176.959.4-174.8-177.300112.5V933 K961V933-E935 VanDerWaalsContact C-N 3.33Å; V933-E935 HydrophobicContact CB-CG 4.11Å; V933-E935 HydrophobicContact CG2-CG 3.41Å; V933-E935 VanDerWaalsContact CG2-CG 3.41Å; E935-K961 PolarHBondContact O-NZ 3.44Å
936D88.1Confident86.7Confident47 Ų4747.6 Ų47.625%0.25124%0.238SC..  trans-86.9115.9172.1-172.3-32.3000109.3D902 T938 E939 T940D902-D936 WeakPolarHBondContact CB-OD1 3.39Å; D902-D936 WeakPolarHBondContact OD2-CA 3.34Å; D936-T938 PolarHBondContact O-N 3.47Å; D936-T938 WeakPolarHBondContact OD1-CA 3.46Å; D936-T938 VanDerWaalsContact OD1-CB 3.29Å; D936-T938 WeakPolarHBondContact OD1-CB 3.27Å; D936-T938 PolarHBondContact OD1-N 3.32Å; D936-T938 PolarHBondContact OD1-OG1 3.05Å; D936-T938 PolarHBondContact OD2-OG1 3.27Å; D936-E939 HydrophobicContact CB-CB 4.32Å; D936-E939 HydrophobicContact CB-CG 4.19Å; D936-E939 PolarHBondContact O-N 3.05Å; D936-T940 PolarHBondContact O-N 3.48Å; D936-T940 PolarHBondContact O-OG1 3.35Å
937V89.6Confident85.2Confident0 Ų051.1 Ų51.10%026%0.264CS..THydrogen-bonded Turntrans-70.7-19.1-178.6-61.20000113.4N898 L899 D902 V933 E939 T940 I941 Y942N898-V937 HydrophobicContact CB-CB 4.41Å; N898-V937 HydrophobicContact CB-CG1 3.69Å; N898-V937 HydrophobicContact CB-CG2 3.81Å; L899-V937 HydrophobicContact CB-CG2 4.04Å; L899-V937 HydrophobicContact CD1-CG2 4.45Å; D902-V937 HydrophobicContact CB-CG2 4.02Å; D902-V937 PolarHBondContact OD2-N 3.04Å; V933-V937 HydrophobicContact CG2-CG1 4.44Å; V937-E939 VanDerWaalsContact C-N 3.33Å; V937-T940 WeakPolarHBondContact CA-OG1 3.44Å; V937-I941 PolarHBondContact O-N 3.04Å; V937-Y942 HydrophobicContact CB-CD2 3.97Å; V937-Y942 HydrophobicContact CB-CE2 4.06Å; V937-Y942 HydrophobicContact CG2-CD2 3.89Å; V937-Y942 HydrophobicContact CG2-CE2 3.93Å; V937-Y942 WeakPolarHBondContact O-CD2 2.97Å; V937-Y942 PolarHBondContact O-N 3.42Å
938T86.7Confident83.4Confident13 Ų1352.4 Ų52.48%0.0827%0.267CS..THydrogen-bonded Turntrans-76.7-20.4174.172.80000112.7L899 D902 D936 H943 Y946L899-T938 HydrophobicContact CD1-CG2 3.65Å; D902-T938 HydrophobicContact CB-CG2 3.99Å; D936-T938 PolarHBondContact O-N 3.47Å; D936-T938 WeakPolarHBondContact OD1-CA 3.46Å; D936-T938 VanDerWaalsContact OD1-CB 3.29Å; D936-T938 WeakPolarHBondContact OD1-CB 3.27Å; D936-T938 PolarHBondContact OD1-N 3.32Å; D936-T938 PolarHBondContact OD1-OG1 3.05Å; D936-T938 PolarHBondContact OD2-OG1 3.27Å; T938-H943 WeakPolarHBondContact O-CA 3.5Å; T938-H943 PolarHBondContact O-N 3.4Å; T938-Y946 HydrophobicContact CG2-CD2 4Å; T938-Y946 HydrophobicContact CG2-CG 4.39Å
939E83.5Confident81Confident121 Ų12155.3 Ų55.357%0.56529%0.287SS*.THydrogen-bonded Turntrans-96.6-12.8174.2-62.9-168.8167.500113.1D936 V937 H943D936-E939 HydrophobicContact CB-CB 4.32Å; D936-E939 HydrophobicContact CB-CG 4.19Å; D936-E939 PolarHBondContact O-N 3.05Å; V937-E939 VanDerWaalsContact C-N 3.33Å; E939-H943 WeakPolarHBondContact O-CB 3.43Å
940T83.2Confident78Confident54 Ų5460.7 Ų60.733%0.33133%0.325SS..THydrogen-bonded Turntrans-112.8-88.7-176.854.20000111.7D936 V937 Y942 H943D936-T940 PolarHBondContact O-N 3.48Å; D936-T940 PolarHBondContact O-OG1 3.35Å; V937-T940 WeakPolarHBondContact CA-OG1 3.44Å; T940-Y942 PolarHBondContact O-N 2.96Å; T940-H943 PolarHBondContact O-N 3.5Å; T940-H943 PolarHBondContact O-ND1 3.1Å
941I84.1Confident75.5Confident95 Ų9567.8 Ų67.849%0.48735%0.354SS..THydrogen-bonded Turntrans-67.7-40.1-171.3-56174.1000111.1V937V937-I941 PolarHBondContact O-N 3.04Å
942Y85.7Confident73.1Confident4 Ų472.4 Ų72.42%0.01637%0.367CS..THydrogen-bonded Turntrans-102.918.7-177-50.8-58.1000113.3R867 L871 N896 L899 V937 T940 K944 F945 Y946R867-Y942 PolarHBondContact NH2-OH 3.41Å; L871-Y942 HydrophobicContact CD1-CD1 4.03Å; L871-Y942 HydrophobicContact CD2-CD1 4.19Å; L871-Y942 HydrophobicContact CD2-CE1 4.29Å; N896-Y942 HydrophobicContact CB-CE2 4.18Å; N896-Y942 WeakPolarHBondContact CB-OH 3.4Å; N896-Y942 PolarHBondContact N-OH 2.93Å; L899-Y942 HydrophobicContact CB-CE2 4.35Å; L899-Y942 HydrophobicContact CD1-CD2 4.29Å; L899-Y942 HydrophobicContact CD2-CD2 4.5Å; L899-Y942 HydrophobicContact CD2-CE2 4.39Å; V937-Y942 HydrophobicContact CB-CD2 3.97Å; V937-Y942 HydrophobicContact CB-CE2 4.06Å; V937-Y942 HydrophobicContact CG2-CD2 3.89Å; V937-Y942 HydrophobicContact CG2-CE2 3.93Å; V937-Y942 WeakPolarHBondContact O-CD2 2.97Å; V937-Y942 PolarHBondContact O-N 3.42Å; T940-Y942 PolarHBondContact O-N 2.96Å; Y942-K944 VanDerWaalsContact C-N 3.31Å; Y942-K944 PolarHBondContact O-N 3.4Å; Y942-F945 PolarHBondContact O-N 3.01Å; Y942-F945 VanDerWaalsContact O-N 3.14Å; Y942-Y946 HydrophobicContact CG-CE2 4.4Å; Y942-Y946 PolarHBondContact O-N 3.3Å
943H80Confident70.6Confident79 Ų7981.4 Ų81.437%0.36641%0.408SS..Hα-helixtrans-58.3-40.6-175.177.1-80.4000112.6T938 E939 T940 F945 Y946 S947T938-H943 WeakPolarHBondContact O-CA 3.5Å; T938-H943 PolarHBondContact O-N 3.4Å; E939-H943 WeakPolarHBondContact O-CB 3.43Å; T940-H943 PolarHBondContact O-N 3.5Å; T940-H943 PolarHBondContact O-ND1 3.1Å; H943-F945 PolarHBondContact O-N 3.43Å; H943-Y946 PolarHBondContact O-N 3.47Å; H943-S947 WeakPolarHBondContact O-CA 3.33Å; H943-S947 WeakPolarHBondContact O-CB 3.42Å; H943-S947 PolarHBondContact O-N 3.26Å
944K74.9Confident68.1Low100 Ų10089.8 Ų89.844%0.43544%0.435SS..Hα-helixtrans-65-30.3-179.2-64.9-172.5178.1172.40112.9N830 Y942N830-K944 HydrophobicContact CB-CD 4.22Å; Y942-K944 VanDerWaalsContact C-N 3.31Å; Y942-K944 PolarHBondContact O-N 3.4Å
945F79.1Confident65.9Low47 Ų4789.7 Ų89.721%0.20644%0.444CS..Hα-helixtrans-85.3-41-179.8-169.8-89.8000112.1F775 D831 A868 L871 A872 Y942 H943F775-F945 HydrophobicContact CE1-CE2 4.44Å; F775-F945 HydrophobicContact CZ-CE2 4.06Å; F775-F945 HydrophobicContact CZ-CZ 4.29Å; D831-F945 HydrophobicContact CB-CB 4.41Å; A868-F945 HydrophobicContact CB-CD2 4.23Å; A868-F945 HydrophobicContact CB-CE2 3.92Å; A868-F945 WeakPolarHBondContact O-CE2 3.08Å; L871-F945 HydrophobicContact CB-CD1 3.78Å; L871-F945 HydrophobicContact CB-CD2 4.35Å; L871-F945 HydrophobicContact CB-CE1 3.58Å; L871-F945 HydrophobicContact CB-CE2 4.17Å; L871-F945 HydrophobicContact CB-CG 4.17Å; L871-F945 HydrophobicContact CB-CZ 3.79Å; L871-F945 HydrophobicContact CD1-CB 3.96Å; L871-F945 HydrophobicContact CD1-CD1 4.02Å; L871-F945 HydrophobicContact CD1-CD2 4.15Å; L871-F945 HydrophobicContact CD1-CG 3.75Å; A872-F945 HydrophobicContact CB-CZ 4.02Å; Y942-F945 PolarHBondContact O-N 3.01Å; Y942-F945 VanDerWaalsContact O-N 3.14Å; H943-F945 PolarHBondContact O-N 3.43Å
946Y78.2Confident63.8Low25 Ų2591.6 Ų91.610%0.09846%0.463CS..Hα-helixtrans-99.610.4-178.7-65-63.3000114.2L871 L899 Y903 T938 Y942 H943 K948L871-Y946 HydrophobicContact CD2-CE2 4.26Å; L871-Y946 PolarHBondContact O-OH 3.48Å; L899-Y946 HydrophobicContact CD1-CD2 4.23Å; L899-Y946 HydrophobicContact CD1-CE2 3.52Å; L899-Y946 HydrophobicContact CD2-CE2 4.15Å; L899-Y946 HydrophobicContact CG-CE2 4.48Å; Y903-Y946 HydrophobicContact CD2-CD1 4.3Å; Y903-Y946 AromaticContact CD2-CE1 3.69Å; Y903-Y946 HydrophobicContact CD2-CE1 3.69Å; Y903-Y946 HydrophobicContact CE2-CD1 4.38Å; Y903-Y946 AromaticContact CE2-CE1 3.74Å; Y903-Y946 HydrophobicContact CE2-CE1 3.74Å; T938-Y946 HydrophobicContact CG2-CD2 4Å; T938-Y946 HydrophobicContact CG2-CG 4.39Å; Y942-Y946 HydrophobicContact CG-CE2 4.4Å; Y942-Y946 PolarHBondContact O-N 3.3Å; H943-Y946 PolarHBondContact O-N 3.47Å; Y946-K948 PolarHBondContact O-N 3.14Å
947S60.7Low61.9Low85 Ų8594.4 Ų94.459%0.59448%0.478SS*.  trans-56.6101.9-173.1-144.40000109.7H943H943-S947 WeakPolarHBondContact O-CA 3.33Å; H943-S947 WeakPolarHBondContact O-CB 3.42Å; H943-S947 PolarHBondContact O-N 3.26Å
948K53.8Low60.4Low87 Ų8799.8 Ų99.838%0.37852%0.522SS..  trans-83.1134.4174.4-75.6164.8-174.1135.30107.8Y946 S950 R952Y946-K948 PolarHBondContact O-N 3.14Å; K948-S950 PolarHBondContact O-N 3.41Å; K948-S950 VanDerWaalsContact O-N 3.09Å; K948-R952 VanDerWaalsContact CD-NE 3.32Å; K948-R952 VanDerWaalsContact NZ-CZ 3.3Å
949S39.8Very low59.5Low62 Ų62103.6 Ų103.643%0.43455%0.546SS..  trans-42.6116.9156.639.20000109.5Y716 E951Y716-S949 WeakPolarHBondContact OH-CB 3.48Å; Y716-S949 PolarHBondContact OH-OG 2.98Å; S949-E951 PolarHBondContact O-N 3.36Å
950S32.6Very low59.4Low113 Ų11398.8 Ų98.879%0.7953%0.525SS*.SBendtrans-22.496.2167.341.50000114.8K948K948-S950 PolarHBondContact O-N 3.41Å; K948-S950 VanDerWaalsContact O-N 3.09Å
951E36.5Very low59.7Low186 Ų18697.9 Ų97.987%0.86952%0.517SS*.  trans176.564.5146.8-100.3176.4-161.900109.7S949S949-E951 PolarHBondContact O-N 3.36Å
952R39.7Very low60.1Low161 Ų16194 Ų9461%0.60850%0.497SS*.  trans-116.5108.6160.3-72.6-169.1175.3-165.81.5108.1K948 R954K948-R952 VanDerWaalsContact CD-NE 3.32Å; K948-R952 VanDerWaalsContact NZ-CZ 3.3Å; R952-R954 PolarHBondContact O-N 2.93Å; R952-R954 VanDerWaalsContact O-N 3.13Å
953H38.6Very low60.3Low190 Ų19095.7 Ų95.788%0.8851%0.506SS*.  trans-50.7117.2-180-77.8-78.8000110.4S955H953-S955 PolarHBondContact O-N 3.02Å
954R39.9Very low60.8Low221 Ų22197.3 Ų97.383%0.83451%0.509SS*.  trans-53.2105159.2-82.1-176.8-178.8169.12.1107R952 T956R952-R954 PolarHBondContact O-N 2.93Å; R952-R954 VanDerWaalsContact O-N 3.13Å; R954-T956 PolarHBondContact O-N 3Å
955S41.6Very low61.6Low89 Ų8992.6 Ų92.662%0.62249%0.489SS*.  trans-66.9108175.157.70000108H953 L957H953-S955 PolarHBondContact O-N 3.02Å; S955-L957 PolarHBondContact O-N 2.65Å
956T43.6Very low62.3Low144 Ų14490.4 Ų90.488%0.88348%0.479SS*.  trans-71.848.5165.851.40000110.2R954R954-T956 PolarHBondContact O-N 3Å
957L48.7Very low63Low107 Ų10792.5 Ų92.556%0.5649%0.492SS*.  trans-78.8126.5170.2-83.1156.6000106.8S955 T959S955-L957 PolarHBondContact O-N 2.65Å; L957-T959 PolarHBondContact O-N 3.29Å
958A56.8Low64.5Low113 Ų11391.1 Ų91.193%0.93448%0.477SS*.SBendtrans-67-1179.900000113.5
959T67.6Low66.4Low93 Ų9387 Ų8757%0.57146%0.459SS*.SBendtrans-111.1131.8-171.453.50000111.1L957L957-T959 PolarHBondContact O-N 3.29Å
960S83Confident69Low19 Ų1984.6 Ų84.613%0.13344%0.441CS..  trans-58.4142.5179.1156.30000112.7E934 L962 D963 R964E934-S960 WeakPolarHBondContact OE1-CA 3.06Å; E934-S960 PolarHBondContact OE1-OG 3.01Å; E934-S960 PolarHBondContact OE2-OG 3.34Å; S960-L962 VanDerWaalsContact C-N 3.3Å; S960-L962 WeakPolarHBondContact OG-CB 3.43Å; S960-L962 PolarHBondContact OG-N 3.14Å; S960-L962 VanDerWaalsContact OG-N 3.07Å; S960-D963 PolarHBondContact O-N 3.43Å; S960-D963 PolarHBondContact OG-N 2.82Å; S960-R964 PolarHBondContact O-N 2.76Å
961K89.3Confident71.8Confident35 Ų3584 Ų8415%0.15243%0.429CS..Hα-helixtrans-56.2-45.8170169.1-173.8154.6-171.40110.3N898 D902 V933 E934 E935 R964 I965N898-K961 PolarHBondContact OD1-NZ 3.03Å; D902-K961 WeakPolarHBondContact OD1-CE 3.43Å; D902-K961 IonicContact OD1-NZ 3.65Å; D902-K961 PolarHBondContact OD1-NZ 3.12Å; D902-K961 IonicContact OD2-NZ 3.58Å; D902-K961 PolarHBondContact OD2-NZ 2.74Å; V933-K961 WeakPolarHBondContact O-CE 3.48Å; V933-K961 PolarHBondContact O-NZ 3.42Å; E934-K961 PolarHBondContact OE1-N 3.28Å; E935-K961 PolarHBondContact O-NZ 3.44Å; K961-R964 PolarHBondContact O-N 2.84Å; K961-I965 HydrophobicContact CD-CD1 4.48Å; K961-I965 HydrophobicContact CG-CD1 3.77Å; K961-I965 WeakPolarHBondContact O-CG1 3.05Å; K961-I965 PolarHBondContact O-N 3.16Å
962L91.1Very high74.5Confident14 Ų1477.3 Ų77.37%0.07340%0.398CS..Hα-helixtrans-61.5-45.9-179.7-66.1172.1000111.6L932 E934 S960 R964 I965 T966 V993L932-L962 HydrophobicContact CB-CD2 3.54Å; E934-L962 HydrophobicContact CB-CD1 4.25Å; E934-L962 VanDerWaalsContact OE2-CG 3.28Å; E934-L962 WeakPolarHBondContact OE2-CG 3.41Å; E934-L962 PolarHBondContact OE2-N 2.69Å; S960-L962 VanDerWaalsContact C-N 3.3Å; S960-L962 WeakPolarHBondContact OG-CB 3.43Å; S960-L962 PolarHBondContact OG-N 3.14Å; S960-L962 VanDerWaalsContact OG-N 3.07Å; L962-R964 VanDerWaalsContact C-N 3.34Å; L962-R964 PolarHBondContact O-N 3.29Å; L962-I965 PolarHBondContact O-N 3.34Å; L962-T966 WeakPolarHBondContact O-CB 3.43Å; L962-T966 VanDerWaalsContact O-CG2 3.26Å; L962-T966 WeakPolarHBondContact O-CG2 3.29Å; L962-T966 PolarHBondContact O-N 3.17Å; L962-T966 PolarHBondContact O-OG1 2.98Å; L962-V993 HydrophobicContact CD1-CG2 3.99Å
963D90.7Very high77.1Confident39 Ų3969.6 Ų69.621%0.20937%0.369CS..Hα-helixtrans-60.5-45.7178.9-69.9-17000110.9S960 I965 T966 D967 K992 V993S960-D963 PolarHBondContact O-N 3.43Å; S960-D963 PolarHBondContact OG-N 2.82Å; D963-I965 PolarHBondContact O-N 3.47Å; D963-T966 WeakPolarHBondContact CA-OG1 3.48Å; D963-T966 PolarHBondContact O-N 3.28Å; D963-T966 PolarHBondContact O-OG1 3.35Å; D963-T966 VanDerWaalsContact O-OG1 3.06Å; D963-D967 WeakPolarHBondContact O-CB 2.86Å; D963-D967 VanDerWaalsContact O-CG 3.3Å; D963-D967 PolarHBondContact O-N 3.4Å; D963-K992 VanDerWaalsContact OD1-CA 3.28Å; D963-K992 WeakPolarHBondContact OD1-CA 3.5Å; D963-K992 WeakPolarHBondContact OD1-CB 3.47Å; D963-V993 PolarHBondContact OD1-N 2.97Å
964R90.2Very high79.6Confident114 Ų11463.3 Ų63.343%0.4334%0.34SS..Hα-helixtrans-60.6-44.8178.1179.6178.9167.6-171.6-3.7112.8S960 K961 L962 I968S960-R964 PolarHBondContact O-N 2.76Å; K961-R964 PolarHBondContact O-N 2.84Å; L962-R964 VanDerWaalsContact C-N 3.34Å; L962-R964 PolarHBondContact O-N 3.29Å; R964-I968 HydrophobicContact CG-CD1 4.29Å; R964-I968 WeakPolarHBondContact O-CD1 3.42Å; R964-I968 WeakPolarHBondContact O-CG1 3.19Å; R964-I968 PolarHBondContact O-N 3.08Å
965I92.1Very high82Confident1 Ų159.8 Ų59.81%0.00533%0.331CS..Hα-helixtrans-67.6-47.9179.5-63.6167.2000109.6H901 L909 L932 K961 L962 D963 D967 I968 F969H901-I965 HydrophobicContact CB-CD1 4.35Å; H901-I965 VanDerWaalsContact CD2-CD1 3.49Å; H901-I965 WeakPolarHBondContact CD2-CD1 3.42Å; L909-I965 HydrophobicContact CD2-CG1 4.35Å; L932-I965 HydrophobicContact CD1-CB 4.49Å; L932-I965 HydrophobicContact CD1-CG2 3.79Å; L932-I965 HydrophobicContact CD2-CD1 4.27Å; K961-I965 HydrophobicContact CD-CD1 4.48Å; K961-I965 HydrophobicContact CG-CD1 3.77Å; K961-I965 WeakPolarHBondContact O-CG1 3.05Å; K961-I965 PolarHBondContact O-N 3.16Å; L962-I965 PolarHBondContact O-N 3.34Å; D963-I965 PolarHBondContact O-N 3.47Å; I965-D967 PolarHBondContact O-N 3.3Å; I965-I968 PolarHBondContact O-N 3.02Å; I965-F969 HydrophobicContact CG2-CD2 3.7Å; I965-F969 HydrophobicContact CG2-CE2 3.92Å; I965-F969 WeakPolarHBondContact O-CB 3.33Å; I965-F969 WeakPolarHBondContact O-CD2 3.38Å; I965-F969 PolarHBondContact O-N 3.35Å
966T93.2Very high84.2Confident0 Ų060.6 Ų60.60%032%0.321CS..Hα-helixtrans-64.6-37.3-176.854.30000112.6L962 D963 F969 I970 C988 K991L962-T966 WeakPolarHBondContact O-CB 3.43Å; L962-T966 VanDerWaalsContact O-CG2 3.26Å; L962-T966 WeakPolarHBondContact O-CG2 3.29Å; L962-T966 PolarHBondContact O-N 3.17Å; L962-T966 PolarHBondContact O-OG1 2.98Å; D963-T966 WeakPolarHBondContact CA-OG1 3.48Å; D963-T966 PolarHBondContact O-N 3.28Å; D963-T966 PolarHBondContact O-OG1 3.35Å; D963-T966 VanDerWaalsContact O-OG1 3.06Å; T966-F969 PolarHBondContact O-N 3.38Å; T966-I970 WeakPolarHBondContact O-CB 3.46Å; T966-I970 WeakPolarHBondContact O-CD1 3.41Å; T966-I970 VanDerWaalsContact O-CG1 3.22Å; T966-I970 WeakPolarHBondContact O-CG1 3.34Å; T966-I970 PolarHBondContact O-N 3.07Å; T966-C988 HydrophobicContact CG2-CB 4.03Å; T966-K991 HydrophobicContact CG2-CB 4.18Å
967D92.9Very high86.2Confident70 Ų7056.4 Ų56.437%0.37429%0.293SS..Hα-helixtrans-60.9-48.5174.9-78.3-27.9000112.1D963 I965 F969 I970 D971 K992D963-D967 WeakPolarHBondContact O-CB 2.86Å; D963-D967 VanDerWaalsContact O-CG 3.3Å; D963-D967 PolarHBondContact O-N 3.4Å; I965-D967 PolarHBondContact O-N 3.3Å; D967-F969 VanDerWaalsContact C-N 3.31Å; D967-F969 PolarHBondContact O-N 3.07Å; D967-I970 PolarHBondContact O-N 3.46Å; D967-D971 PolarHBondContact O-N 3.28Å; D967-K992 VanDerWaalsContact OD1-CE 3.24Å; D967-K992 WeakPolarHBondContact OD1-CE 3.32Å; D967-K992 IonicContact OD1-NZ 3.07Å; D967-K992 PolarHBondContact OD1-NZ 2.99Å
968I92.5Very high88Confident55 Ų5553.2 Ų53.228%0.28228%0.279SS..Hα-helixtrans-65.3-38.8179.3-61.5165.6000110.8L909 I912 R964 I965 D971 E972L909-I968 HydrophobicContact CD1-CD1 4.49Å; L909-I968 HydrophobicContact CD2-CD1 3.88Å; I912-I968 HydrophobicContact CD1-CB 4.19Å; I912-I968 HydrophobicContact CD1-CG2 3.51Å; R964-I968 HydrophobicContact CG-CD1 4.29Å; R964-I968 WeakPolarHBondContact O-CD1 3.42Å; R964-I968 WeakPolarHBondContact O-CG1 3.19Å; R964-I968 PolarHBondContact O-N 3.08Å; I965-I968 PolarHBondContact O-N 3.02Å; I968-D971 PolarHBondContact O-N 3.13Å; I968-E972 HydrophobicContact CG2-CG 4.47Å; I968-E972 WeakPolarHBondContact O-CG 3.08Å; I968-E972 PolarHBondContact O-N 3.5Å
969F93.9Very high89.3Confident1 Ų151 Ų510%0.00425%0.254CS..Hα-helixtrans-64.2-45176.1-99.3-91.1000112F908 I912 F915 L916 I925 F928 I929 I965 T966 D967 D971 E972 M973F908-F969 AromaticContact CE1-CE2 3.88Å; F908-F969 HydrophobicContact CE1-CE2 3.88Å; F908-F969 HydrophobicContact CE1-CZ 4.29Å; F908-F969 AromaticContact CZ-CE2 3.98Å; F908-F969 HydrophobicContact CZ-CE2 3.98Å; F908-F969 AromaticContact CZ-CZ 3.91Å; F908-F969 HydrophobicContact CZ-CZ 3.91Å; I912-F969 HydrophobicContact CD1-CD2 3.88Å; I912-F969 HydrophobicContact CD1-CE2 3.68Å; I912-F969 HydrophobicContact CG1-CE2 3.93Å; I912-F969 HydrophobicContact CG1-CZ 4.33Å; I912-F969 HydrophobicContact CG2-CD2 4.41Å; I912-F969 HydrophobicContact CG2-CE1 4.29Å; I912-F969 HydrophobicContact CG2-CE2 4.2Å; I912-F969 HydrophobicContact CG2-CZ 4.14Å; F915-F969 HydrophobicContact CD1-CE1 4.16Å; F915-F969 HydrophobicContact CD1-CZ 4.05Å; F915-F969 AromaticContact CE1-CE1 3.98Å; F915-F969 HydrophobicContact CE1-CE1 3.98Å; F915-F969 AromaticContact CE1-CZ 3.98Å; F915-F969 HydrophobicContact CE1-CZ 3.98Å; L916-F969 HydrophobicContact CD2-CD1 4.47Å; L916-F969 HydrophobicContact CD2-CE1 4.12Å; I925-F969 HydrophobicContact CG2-CE1 4.41Å; F928-F969 HydrophobicContact CD1-CE1 4.42Å; F928-F969 HydrophobicContact CD1-CZ 4.02Å; F928-F969 HydrophobicContact CE1-CE1 4.31Å; F928-F969 AromaticContact CE1-CE2 3.75Å; F928-F969 HydrophobicContact CE1-CE2 3.75Å; F928-F969 AromaticContact CE1-CZ 3.52Å; F928-F969 HydrophobicContact CE1-CZ 3.52Å; I929-F969 HydrophobicContact CD1-CD1 4.34Å; I965-F969 HydrophobicContact CG2-CD2 3.7Å; I965-F969 HydrophobicContact CG2-CE2 3.92Å; I965-F969 WeakPolarHBondContact O-CB 3.33Å; I965-F969 WeakPolarHBondContact O-CD2 3.38Å; I965-F969 PolarHBondContact O-N 3.35Å; T966-F969 PolarHBondContact O-N 3.38Å; D967-F969 VanDerWaalsContact C-N 3.31Å; D967-F969 PolarHBondContact O-N 3.07Å; F969-D971 VanDerWaalsContact C-N 3.35Å; F969-D971 PolarHBondContact O-N 3.48Å; F969-E972 PolarHBondContact O-N 3.36Å; F969-M973 HydrophobicContact CB-CE 3.97Å; F969-M973 HydrophobicContact CD1-CE 4.2Å; F969-M973 HydrophobicContact CD1-SD 4.19Å; F969-M973 VanDerWaalsContact O-CB 3.26Å; F969-M973 WeakPolarHBondContact O-CB 3.48Å; F969-M973 WeakPolarHBondContact O-CE 3.39Å; F969-M973 WeakPolarHBondContact O-CG 3.35Å; F969-M973 PolarHBondContact O-N 3.1Å
970I93.9Very high90.3Very high11 Ų1150.4 Ų50.46%0.05624%0.243CC..Hα-helixtrans-58.1-49.8176.3-70.6162.3000109.9T966 D967 E972 M973 E974 C988 Y989T966-I970 WeakPolarHBondContact O-CB 3.46Å; T966-I970 WeakPolarHBondContact O-CD1 3.41Å; T966-I970 VanDerWaalsContact O-CG1 3.22Å; T966-I970 WeakPolarHBondContact O-CG1 3.34Å; T966-I970 PolarHBondContact O-N 3.07Å; D967-I970 PolarHBondContact O-N 3.46Å; I970-E972 PolarHBondContact O-N 3.25Å; I970-M973 PolarHBondContact O-N 3.39Å; I970-E974 HydrophobicContact CG2-CG 4.28Å; I970-E974 WeakPolarHBondContact O-CB 3.33Å; I970-E974 VanDerWaalsContact O-CG 3.29Å; I970-E974 WeakPolarHBondContact O-CG 3.42Å; I970-E974 PolarHBondContact O-N 2.58Å; I970-C988 HydrophobicContact CD1-CB 3.71Å; I970-C988 HydrophobicContact CG1-CB 3.55Å; I970-Y989 HydrophobicContact CD1-CD1 3.96Å; I970-Y989 HydrophobicContact CD1-CE1 3.71Å; I970-Y989 HydrophobicContact CD1-CE2 4.39Å; I970-Y989 HydrophobicContact CD1-CG 4.39Å
971D93.2Very high90.6Very high100 Ų10049.8 Ų49.854%0.53524%0.238SC..Hα-helixtrans-59.9-42.9-179-81.6-2.9000112.9D967 I968 F969 K975D967-D971 PolarHBondContact O-N 3.28Å; I968-D971 PolarHBondContact O-N 3.13Å; F969-D971 VanDerWaalsContact C-N 3.35Å; F969-D971 PolarHBondContact O-N 3.48Å; D971-K975 WeakPolarHBondContact O-CD 3.21Å; D971-K975 WeakPolarHBondContact O-CE 3.04Å; D971-K975 VanDerWaalsContact O-CG 3.24Å; D971-K975 WeakPolarHBondContact O-CG 3.44Å; D971-K975 PolarHBondContact O-N 3.34Å
972E93.1Very high90.8Very high46 Ų4648.4 Ų48.422%0.21523%0.233CC..Hα-helixtrans-77-35.8-179.4-70.2-60.3116.600112.7I912 L916 I968 F969 I970 K975 Y976I912-E972 HydrophobicContact CG2-CB 4.23Å; I912-E972 HydrophobicContact CG2-CG 4.33Å; L916-E972 HydrophobicContact CD1-CB 3.99Å; I968-E972 HydrophobicContact CG2-CG 4.47Å; I968-E972 WeakPolarHBondContact O-CG 3.08Å; I968-E972 PolarHBondContact O-N 3.5Å; F969-E972 PolarHBondContact O-N 3.36Å; I970-E972 PolarHBondContact O-N 3.25Å; E972-K975 PolarHBondContact O-N 3.49Å; E972-K975 IonicContact OE1-NZ 3.11Å; E972-K975 PolarHBondContact OE1-NZ 3.39Å; E972-Y976 WeakPolarHBondContact O-CB 3.38Å; E972-Y976 PolarHBondContact O-N 3.19Å; E972-Y976 VanDerWaalsContact O-N 3.08Å
973M93.8Very high90.9Very high0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-70.2-38.8178.1-69.2-171.2-65.200112.3L916 I925 I929 F969 I970 K975 Y976 N977 L981 P984 I985L916-M973 HydrophobicContact CD1-CG 3.85Å; L916-M973 HydrophobicContact CD2-CG 4.03Å; L916-M973 HydrophobicContact CD2-SD 4.41Å; I925-M973 HydrophobicContact CG2-SD 4.26Å; I929-M973 HydrophobicContact CD1-CE 4.24Å; F969-M973 HydrophobicContact CB-CE 3.97Å; F969-M973 HydrophobicContact CD1-CE 4.2Å; F969-M973 HydrophobicContact CD1-SD 4.19Å; F969-M973 VanDerWaalsContact O-CB 3.26Å; F969-M973 WeakPolarHBondContact O-CB 3.48Å; F969-M973 WeakPolarHBondContact O-CE 3.39Å; F969-M973 WeakPolarHBondContact O-CG 3.35Å; F969-M973 PolarHBondContact O-N 3.1Å; I970-M973 PolarHBondContact O-N 3.39Å; M973-K975 VanDerWaalsContact C-N 3.29Å; M973-K975 PolarHBondContact O-N 2.95Å; M973-Y976 PolarHBondContact O-N 3.49Å; M973-N977 PolarHBondContact O-N 3.35Å; M973-N977 VanDerWaalsContact O-N 3.12Å; M973-L981 HydrophobicContact CB-CB 4.32Å; M973-L981 HydrophobicContact CB-CD1 3.99Å; M973-L981 HydrophobicContact CG-CD1 3.88Å; M973-L981 HydrophobicContact SD-CB 4.33Å; M973-L981 HydrophobicContact SD-CD1 4.4Å; M973-P984 HydrophobicContact CE-CB 3.98Å; M973-P984 HydrophobicContact SD-CB 3.46Å; M973-P984 WeakPolarHBondContact SD-CB 3.27Å; M973-P984 HydrophobicContact SD-CG 4.49Å; M973-I985 HydrophobicContact CB-CD1 4.09Å; M973-I985 HydrophobicContact CB-CG1 3.83Å; M973-I985 HydrophobicContact CE-CB 4.46Å; M973-I985 HydrophobicContact CE-CG1 3.77Å; M973-I985 HydrophobicContact SD-CG1 4.35Å
974E91.1Very high91Very high58 Ų5847.2 Ų47.227%0.27123%0.227SC..Hα-helixtrans-63.3-35174.8-73.8-78.617800111.9I970 P978 I985 R1003I970-E974 HydrophobicContact CG2-CG 4.28Å; I970-E974 WeakPolarHBondContact O-CB 3.33Å; I970-E974 VanDerWaalsContact O-CG 3.29Å; I970-E974 WeakPolarHBondContact O-CG 3.42Å; I970-E974 PolarHBondContact O-N 2.58Å; E974-P978 WeakPolarHBondContact OE2-CB 3.35Å; E974-I985 HydrophobicContact CG-CD1 4.27Å; E974-R1003 IonicContact OE1-CZ 3.31Å; E974-R1003 IonicContact OE1-NE 3.59Å; E974-R1003 PolarHBondContact OE1-NE 2.77Å; E974-R1003 IonicContact OE1-NH2 3.06Å; E974-R1003 IonicContact OE2-CZ 3.36Å; E974-R1003 IonicContact OE2-NE 3.6Å; E974-R1003 PolarHBondContact OE2-NE 3.28Å; E974-R1003 IonicContact OE2-NH2 3.88Å; E974-R1003 PolarHBondContact OE2-NH2 2.84Å
975K90.4Very high91.3Very high147 Ų14741.8 Ų41.864%0.63921%0.207SC*.Hα-helixtrans-74-30.5174.9-68.9170.1-154.7161.30113.3D971 E972 M973D971-K975 WeakPolarHBondContact O-CD 3.21Å; D971-K975 WeakPolarHBondContact O-CE 3.04Å; D971-K975 VanDerWaalsContact O-CG 3.24Å; D971-K975 WeakPolarHBondContact O-CG 3.44Å; D971-K975 PolarHBondContact O-N 3.34Å; E972-K975 PolarHBondContact O-N 3.49Å; E972-K975 IonicContact OE1-NZ 3.11Å; E972-K975 PolarHBondContact OE1-NZ 3.39Å; M973-K975 VanDerWaalsContact C-N 3.29Å; M973-K975 PolarHBondContact O-N 2.95Å
976Y86.9Confident91.4Very high105 Ų10541.7 Ų41.741%0.41221%0.207SC..Hα-helixtrans-85.9-64.1-172.6-173.2-110.2000112.7Q917 E972 M973 L981Q917-Y976 HydrophobicContact CG-CE2 3.99Å; E972-Y976 WeakPolarHBondContact O-CB 3.38Å; E972-Y976 PolarHBondContact O-N 3.19Å; E972-Y976 VanDerWaalsContact O-N 3.08Å; M973-Y976 PolarHBondContact O-N 3.49Å; Y976-L981 HydrophobicContact CD1-CD1 4.04Å
977N86.8Confident91.4Very high57 Ų5741.7 Ų41.731%0.30521%0.207SC..  trans-159.887.2178.4-167.1-27000111M973 T979 K980 L981M973-N977 PolarHBondContact O-N 3.35Å; M973-N977 VanDerWaalsContact O-N 3.12Å; N977-T979 PolarHBondContact O-N 3.36Å; N977-T979 PolarHBondContact OD1-OG1 2.93Å; N977-K980 HydrophobicContact CB-CB 4.26Å; N977-K980 PolarHBondContact O-N 3.28Å; N977-K980 PolarHBondContact OD1-N 3.04Å; N977-L981 WeakPolarHBondContact O-CB 3.48Å; N977-L981 WeakPolarHBondContact O-CG 3.49Å; N977-L981 PolarHBondContact O-N 3.06Å
978P84.6Confident91.6Very high39 Ų3938.4 Ų38.425%0.25319%0.189SC..THydrogen-bonded Turntrans-68.5-29.1-170.424.3-33.1000114E974 I982E974-P978 WeakPolarHBondContact OE2-CB 3.35Å; P978-I982 PolarHBondContact O-N 3.48Å
979T84.9Confident91.7Very high67 Ų6737.4 Ų37.441%0.41118%0.182SC..THydrogen-bonded Turntrans-76.2-44.4179.346.90000111.4N977 T1015N977-T979 PolarHBondContact O-N 3.36Å; N977-T979 PolarHBondContact OD1-OG1 2.93Å; T979-T1015 WeakPolarHBondContact O-CG2 3.43Å
980K88.2Confident91.6Very high80 Ų8037.8 Ų37.835%0.34819%0.185SC..THydrogen-bonded Turntrans-66.5-37176.3-173.4178.2175.8-177.60112.1D920 P922 N977D920-K980 VanDerWaalsContact O-CE 3.27Å; D920-K980 WeakPolarHBondContact O-CE 3.32Å; D920-K980 PolarHBondContact O-NZ 2.99Å; D920-K980 IonicContact OD1-NZ 2.73Å; D920-K980 PolarHBondContact OD1-NZ 3.33Å; D920-K980 IonicContact OD2-NZ 2.85Å; D920-K980 PolarHBondContact OD2-NZ 3.21Å; P922-K980 HydrophobicContact CG-CG 3.97Å; N977-K980 HydrophobicContact CB-CB 4.26Å; N977-K980 PolarHBondContact O-N 3.28Å; N977-K980 PolarHBondContact OD1-N 3.04Å
981L90.8Very high91.5Very high6 Ų639.7 Ų39.73%0.03119%0.193CC..THydrogen-bonded Turntrans-97.519.1-174.9-61174.7000113.8P922 I925 M973 Y976 N977 V983 P984 I985P922-L981 HydrophobicContact CB-CD2 4.35Å; P922-L981 HydrophobicContact CG-CD2 4.43Å; I925-L981 HydrophobicContact CD1-CD2 3.78Å; M973-L981 HydrophobicContact CB-CB 4.32Å; M973-L981 HydrophobicContact CB-CD1 3.99Å; M973-L981 HydrophobicContact CG-CD1 3.88Å; M973-L981 HydrophobicContact SD-CB 4.33Å; M973-L981 HydrophobicContact SD-CD1 4.4Å; Y976-L981 HydrophobicContact CD1-CD1 4.04Å; N977-L981 WeakPolarHBondContact O-CB 3.48Å; N977-L981 WeakPolarHBondContact O-CG 3.49Å; N977-L981 PolarHBondContact O-N 3.06Å; L981-V983 VanDerWaalsContact C-N 3.28Å; L981-V983 PolarHBondContact O-N 2.91Å; L981-P984 HydrophobicContact CB-CG 4.45Å; L981-P984 HydrophobicContact CD2-CG 4.2Å; L981-P984 VanDerWaalsContact O-CD 3.27Å; L981-P984 WeakPolarHBondContact O-CD 3.2Å; L981-I985 HydrophobicContact CB-CD1 4.45Å; L981-I985 VanDerWaalsContact O-CG1 3.28Å; L981-I985 WeakPolarHBondContact O-CG1 3.15Å; L981-I985 PolarHBondContact O-N 3.45Å
982I92.4Very high91.4Very high6 Ų636.5 Ų36.53%0.03117%0.174CC..Hα-helixtrans-57.8-41.6-178.1-167.655.6000112.3P978 I985 I986 L1004 L1007 T1015P978-I982 PolarHBondContact O-N 3.48Å; I982-I985 PolarHBondContact O-N 3.49Å; I982-I986 HydrophobicContact CD1-CD1 4.39Å; I982-I986 HydrophobicContact CD1-CG1 4.18Å; I982-I986 HydrophobicContact CG1-CG1 4.25Å; I982-I986 VanDerWaalsContact O-CG1 3.26Å; I982-I986 WeakPolarHBondContact O-CG1 3.3Å; I982-I986 PolarHBondContact O-N 3.36Å; I982-L1004 HydrophobicContact CD1-CD2 4.25Å; I982-L1004 HydrophobicContact CG1-CD2 4.11Å; I982-L1007 HydrophobicContact CD1-CD1 3.57Å; I982-L1007 HydrophobicContact CG1-CD1 3.78Å; I982-T1015 HydrophobicContact CB-CG2 3.86Å; I982-T1015 HydrophobicContact CG1-CG2 4.21Å; I982-T1015 HydrophobicContact CG2-CG2 3.52Å
983V93.2Very high91.1Very high28 Ų2838.3 Ų38.317%0.1719%0.188CC..Hα-helixtrans-64.4-50.6-177.6171.70000110.9T926 L981 I985 I986 T987 H1022T926-V983 HydrophobicContact CG2-CG1 3.88Å; L981-V983 VanDerWaalsContact C-N 3.28Å; L981-V983 PolarHBondContact O-N 2.91Å; V983-I985 PolarHBondContact O-N 3.44Å; V983-I986 PolarHBondContact O-N 3.48Å; V983-T987 PolarHBondContact O-N 2.73Å; V983-T987 PolarHBondContact O-OG1 2.96Å; V983-H1022 HydrophobicContact CG1-CB 4.14Å; V983-H1022 HydrophobicContact CG2-CB 4.41Å
984P93.9Very high90.8Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-51.6-46.5168.2-30.933.1000114.8P922 I925 T926 I929 M973 L981 I986 T987 C988P922-P984 HydrophobicContact CB-CG 4.38Å; I925-P984 HydrophobicContact CB-CG 4.2Å; I925-P984 HydrophobicContact CG2-CB 3.92Å; I925-P984 HydrophobicContact CG2-CG 4.06Å; T926-P984 WeakPolarHBondContact OG1-CD 3.4Å; T926-P984 WeakPolarHBondContact OG1-CG 3.48Å; I929-P984 HydrophobicContact CD1-CB 3.89Å; M973-P984 HydrophobicContact CE-CB 3.98Å; M973-P984 HydrophobicContact SD-CB 3.46Å; M973-P984 WeakPolarHBondContact SD-CB 3.27Å; M973-P984 HydrophobicContact SD-CG 4.49Å; L981-P984 HydrophobicContact CB-CG 4.45Å; L981-P984 HydrophobicContact CD2-CG 4.2Å; L981-P984 VanDerWaalsContact O-CD 3.27Å; L981-P984 WeakPolarHBondContact O-CD 3.2Å; P984-I986 PolarHBondContact O-N 3.16Å; P984-T987 WeakPolarHBondContact O-CB 3.05Å; P984-T987 PolarHBondContact O-N 3.27Å; P984-T987 VanDerWaalsContact O-N 3.15Å; P984-C988 PolarHBondContact O-N 3.2Å
985I94.9Very high90.8Very high0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-60.9-45.9-179.3-68.7164.4000110.9M973 E974 L981 I982 V983 T987 C988 Y989M973-I985 HydrophobicContact CB-CD1 4.09Å; M973-I985 HydrophobicContact CB-CG1 3.83Å; M973-I985 HydrophobicContact CE-CB 4.46Å; M973-I985 HydrophobicContact CE-CG1 3.77Å; M973-I985 HydrophobicContact SD-CG1 4.35Å; E974-I985 HydrophobicContact CG-CD1 4.27Å; L981-I985 HydrophobicContact CB-CD1 4.45Å; L981-I985 VanDerWaalsContact O-CG1 3.28Å; L981-I985 WeakPolarHBondContact O-CG1 3.15Å; L981-I985 PolarHBondContact O-N 3.45Å; I982-I985 PolarHBondContact O-N 3.49Å; V983-I985 PolarHBondContact O-N 3.44Å; I985-T987 VanDerWaalsContact C-N 3.29Å; I985-T987 PolarHBondContact O-N 2.92Å; I985-C988 WeakPolarHBondContact O-CB 3.4Å; I985-C988 PolarHBondContact O-N 3.33Å; I985-Y989 HydrophobicContact CG2-CD2 4.2Å; I985-Y989 HydrophobicContact CG2-CE2 3.75Å; I985-Y989 WeakPolarHBondContact O-CD2 3.13Å; I985-Y989 PolarHBondContact O-N 3.04Å
986I94.5Very high90.8Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-64.5-36.5177-64.6-55.6000111.4I982 V983 P984 C988 Y989 A990 G1000 L1004 L1023I982-I986 HydrophobicContact CD1-CD1 4.39Å; I982-I986 HydrophobicContact CD1-CG1 4.18Å; I982-I986 HydrophobicContact CG1-CG1 4.25Å; I982-I986 VanDerWaalsContact O-CG1 3.26Å; I982-I986 WeakPolarHBondContact O-CG1 3.3Å; I982-I986 PolarHBondContact O-N 3.36Å; V983-I986 PolarHBondContact O-N 3.48Å; P984-I986 PolarHBondContact O-N 3.16Å; I986-C988 VanDerWaalsContact C-N 3.32Å; I986-C988 PolarHBondContact O-N 3.01Å; I986-Y989 HydrophobicContact CD1-CD2 4.46Å; I986-Y989 PolarHBondContact O-N 2.95Å; I986-A990 PolarHBondContact O-N 3.34Å; I986-G1000 WeakPolarHBondContact CD1-O 3.46Å; I986-L1004 HydrophobicContact CD1-CD1 4.11Å; I986-L1004 HydrophobicContact CD1-CD2 3.99Å; I986-L1004 HydrophobicContact CD1-CG 3.73Å; I986-L1004 HydrophobicContact CG1-CD1 4.5Å; I986-L1004 HydrophobicContact CG1-CD2 4.13Å; I986-L1004 HydrophobicContact CG1-CG 4.33Å; I986-L1023 HydrophobicContact CG2-CB 3.83Å; I986-L1023 HydrophobicContact CG2-CD1 3.73Å; I986-L1023 HydrophobicContact CG2-CG 4.21Å
987T94.5Very high91Very high0 Ų036.8 Ų36.80%020%0.202CC..Hα-helixtrans-61.9-40.3174.4-49.10000111.3I929 V983 P984 I985 Y989 A990 K991 H1022 F1026I929-T987 HydrophobicContact CB-CG2 4.09Å; I929-T987 HydrophobicContact CG2-CG2 3.7Å; V983-T987 PolarHBondContact O-N 2.73Å; V983-T987 PolarHBondContact O-OG1 2.96Å; P984-T987 WeakPolarHBondContact O-CB 3.05Å; P984-T987 PolarHBondContact O-N 3.27Å; P984-T987 VanDerWaalsContact O-N 3.15Å; I985-T987 VanDerWaalsContact C-N 3.29Å; I985-T987 PolarHBondContact O-N 2.92Å; T987-Y989 PolarHBondContact O-N 2.9Å; T987-A990 PolarHBondContact O-N 3.48Å; T987-K991 HydrophobicContact CG2-CG 4.41Å; T987-K991 WeakPolarHBondContact O-CB 3.37Å; T987-K991 WeakPolarHBondContact O-CG 3.29Å; T987-K991 PolarHBondContact O-N 2.93Å; T987-H1022 PolarHBondContact OG1-CD2 3.26Å; T987-H1022 PolarHBondContact OG1-NE2 3.01Å; T987-F1026 HydrophobicContact CG2-CE2 4.4Å; T987-F1026 HydrophobicContact CG2-CZ 4.01Å
988C95.4Very high91.1Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-58.8-47.3174.4-72.90000112.1T966 I970 P984 I985 I986 A990 K991 K992T966-C988 HydrophobicContact CG2-CB 4.03Å; I970-C988 HydrophobicContact CD1-CB 3.71Å; I970-C988 HydrophobicContact CG1-CB 3.55Å; P984-C988 PolarHBondContact O-N 3.2Å; I985-C988 WeakPolarHBondContact O-CB 3.4Å; I985-C988 PolarHBondContact O-N 3.33Å; I986-C988 VanDerWaalsContact C-N 3.32Å; I986-C988 PolarHBondContact O-N 3.01Å; C988-A990 VanDerWaalsContact C-N 3.31Å; C988-A990 PolarHBondContact O-N 2.89Å; C988-K991 PolarHBondContact O-N 3.08Å; C988-K991 VanDerWaalsContact O-N 3.16Å; C988-K992 PolarHBondContact O-N 3.25Å
989Y95Very high91.3Very high35 Ų3538.3 Ų38.314%0.13721%0.209CC..Hα-helixtrans-62.2-38.2177.2-72.3-60.1000112.9I970 I985 I986 T987 K991 N996 A999I970-Y989 HydrophobicContact CD1-CD1 3.96Å; I970-Y989 HydrophobicContact CD1-CE1 3.71Å; I970-Y989 HydrophobicContact CD1-CE2 4.39Å; I970-Y989 HydrophobicContact CD1-CG 4.39Å; I985-Y989 HydrophobicContact CG2-CD2 4.2Å; I985-Y989 HydrophobicContact CG2-CE2 3.75Å; I985-Y989 WeakPolarHBondContact O-CD2 3.13Å; I985-Y989 PolarHBondContact O-N 3.04Å; I986-Y989 HydrophobicContact CD1-CD2 4.46Å; I986-Y989 PolarHBondContact O-N 2.95Å; T987-Y989 PolarHBondContact O-N 2.9Å; Y989-K991 VanDerWaalsContact C-N 3.3Å; Y989-K991 PolarHBondContact O-N 3.18Å; Y989-N996 PolarHBondContact O-N 3.04Å; Y989-A999 HydrophobicContact CD1-CB 3.74Å; Y989-A999 HydrophobicContact CE1-CB 3.59Å; Y989-A999 HydrophobicContact CG-CB 4.49Å
990A93Very high91.5Very high8 Ų835.1 Ų35.17%0.06619%0.189CC..Hα-helixtrans-69.6-26.7176.700000113.1I986 T987 C988 P995 Y997 F1026I986-A990 PolarHBondContact O-N 3.34Å; T987-A990 PolarHBondContact O-N 3.48Å; C988-A990 VanDerWaalsContact C-N 3.31Å; C988-A990 PolarHBondContact O-N 2.89Å; A990-P995 WeakPolarHBondContact O-CB 3.49Å; A990-Y997 HydrophobicContact CB-CE1 4.44Å; A990-F1026 HydrophobicContact CB-CB 3.92Å; A990-F1026 HydrophobicContact CB-CD1 4.14Å; A990-F1026 HydrophobicContact CB-CD2 3.8Å; A990-F1026 HydrophobicContact CB-CE2 4.34Å; A990-F1026 HydrophobicContact CB-CG 3.68Å
991K91.9Very high91.5Very high51 Ų5131.4 Ų31.422%0.22217%0.173CC..Hα-helixtrans-87.6-9.1-178.5-80.5-67.3-165.2164.30115.6I929 S930 L932 T966 T987 C988 Y989I929-K991 HydrophobicContact CG2-CG 4.32Å; I929-K991 WeakPolarHBondContact O-CE 3.27Å; S930-K991 WeakPolarHBondContact O-CE 3.24Å; S930-K991 PolarHBondContact O-NZ 3.48Å; L932-K991 PolarHBondContact O-NZ 2.86Å; T966-K991 HydrophobicContact CG2-CB 4.18Å; T987-K991 HydrophobicContact CG2-CG 4.41Å; T987-K991 WeakPolarHBondContact O-CB 3.37Å; T987-K991 WeakPolarHBondContact O-CG 3.29Å; T987-K991 PolarHBondContact O-N 2.93Å; C988-K991 PolarHBondContact O-N 3.08Å; C988-K991 VanDerWaalsContact O-N 3.16Å; Y989-K991 VanDerWaalsContact C-N 3.3Å; Y989-K991 PolarHBondContact O-N 3.18Å
992K91.2Very high91.4Very high34 Ų3433.9 Ų33.915%0.14819%0.191CC..SBendtrans-60.6160.1174.1-72-164.9171.9-166.30112.7D963 D967 C988 P994 P995 N996D963-K992 VanDerWaalsContact OD1-CA 3.28Å; D963-K992 WeakPolarHBondContact OD1-CA 3.5Å; D963-K992 WeakPolarHBondContact OD1-CB 3.47Å; D967-K992 VanDerWaalsContact OD1-CE 3.24Å; D967-K992 WeakPolarHBondContact OD1-CE 3.32Å; D967-K992 IonicContact OD1-NZ 3.07Å; D967-K992 PolarHBondContact OD1-NZ 2.99Å; C988-K992 PolarHBondContact O-N 3.25Å; K992-P994 VanDerWaalsContact C-C 3.44Å; K992-P994 CarbonylContact C-O 3.44Å; K992-P994 CarbonylContact O-C 3.39Å; K992-P995 WeakPolarHBondContact O-CA 3.39Å; K992-P995 WeakPolarHBondContact O-CD 3.32Å; K992-N996 HydrophobicContact CD-CB 4.29Å
993V86.6Confident91.2Very high84 Ų8435.6 Ų35.651%0.50920%0.197SC..SBendtrans-119.9101.2-178.5-1740000111.2L962 D963L962-V993 HydrophobicContact CD1-CG2 3.99Å; D963-V993 PolarHBondContact OD1-N 2.97Å
994P87.4Confident91Very high110 Ų11034.2 Ų34.271%0.71419%0.189SC*.SBendcis-74.8162.7-2.832.7-35.7000113.1K992 N996K992-P994 VanDerWaalsContact C-C 3.44Å; K992-P994 CarbonylContact C-O 3.44Å; K992-P994 CarbonylContact O-C 3.39Å; P994-N996 PolarHBondContact O-N 2.81Å
995P90.1Very high90.7Very high59 Ų5935.9 Ų35.938%0.38320%0.196SC..  trans-55.6132.9179.2-28.135.5000112.4A990 K992 Y997A990-P995 WeakPolarHBondContact O-CB 3.49Å; K992-P995 WeakPolarHBondContact O-CA 3.39Å; K992-P995 WeakPolarHBondContact O-CD 3.32Å; P995-Y997 HydrophobicContact CB-CD1 4.38Å; P995-Y997 HydrophobicContact CB-CE1 3.82Å; P995-Y997 HydrophobicContact CB-CE2 3.94Å; P995-Y997 PolarHBondContact O-N 2.93Å
996N91.1Very high90.3Very high59 Ų5939.9 Ų39.932%0.31622%0.217SC..  trans-103.770.5-176.6-167.6-14000111.6Y989 K992 P994 E998 A999 G1000Y989-N996 PolarHBondContact O-N 3.04Å; K992-N996 HydrophobicContact CD-CB 4.29Å; P994-N996 PolarHBondContact O-N 2.81Å; N996-E998 VanDerWaalsContact C-N 3.25Å; N996-E998 PolarHBondContact O-N 3.27Å; N996-A999 PolarHBondContact O-N 2.86Å; N996-A999 WeakPolarHBondContact OD1-CB 3.49Å; N996-A999 PolarHBondContact OD1-N 3.25Å; N996-A999 VanDerWaalsContact OD1-N 3.08Å; N996-G1000 PolarHBondContact O-N 2.75Å
997Y90.1Very high89.9Confident49 Ų4940.3 Ų40.319%0.19222%0.219CC..Hα-helixtrans-64.7-28.6179.2-55.2-50.6000113.1A990 P995 G1000 L1001 L1023 F1026 A1027A990-Y997 HydrophobicContact CB-CE1 4.44Å; P995-Y997 HydrophobicContact CB-CD1 4.38Å; P995-Y997 HydrophobicContact CB-CE1 3.82Å; P995-Y997 HydrophobicContact CB-CE2 3.94Å; P995-Y997 PolarHBondContact O-N 2.93Å; Y997-G1000 PolarHBondContact O-N 3.23Å; Y997-L1001 WeakPolarHBondContact O-CB 3.29Å; Y997-L1001 PolarHBondContact O-N 3.33Å; Y997-L1023 HydrophobicContact CD1-CD1 4.07Å; Y997-L1023 HydrophobicContact CE1-CD1 4.47Å; Y997-F1026 HydrophobicContact CE1-CB 4.32Å; Y997-F1026 PolarHBondContact OH-O 3.47Å; Y997-A1027 HydrophobicContact CD1-CB 4.2Å; Y997-A1027 HydrophobicContact CE1-CB 3.89Å; Y997-A1027 HydrophobicContact CE2-CB 4.24Å
998E88.6Confident89.4Confident100 Ų10043.2 Ų43.247%0.46723%0.233SC..Hα-helixtrans-64-45.9179.7-172.5170.9-178.900111.6N996 S1002 V1035N996-E998 VanDerWaalsContact C-N 3.25Å; N996-E998 PolarHBondContact O-N 3.27Å; E998-S1002 WeakPolarHBondContact O-CB 3.27Å; E998-S1002 PolarHBondContact O-N 3.43Å; E998-S1002 PolarHBondContact O-OG 3.37Å; E998-V1035 HydrophobicContact CB-CG1 4.17Å
999A88.8Confident88.9Confident29 Ų2949 Ų4924%0.2426%0.26CS..Hα-helixtrans-65.9-43174.700000112Y989 N996 S1002 R1003Y989-A999 HydrophobicContact CD1-CB 3.74Å; Y989-A999 HydrophobicContact CE1-CB 3.59Å; Y989-A999 HydrophobicContact CG-CB 4.49Å; N996-A999 PolarHBondContact O-N 2.86Å; N996-A999 WeakPolarHBondContact OD1-CB 3.49Å; N996-A999 PolarHBondContact OD1-N 3.25Å; N996-A999 VanDerWaalsContact OD1-N 3.08Å; A999-S1002 PolarHBondContact O-N 3.17Å; A999-R1003 PolarHBondContact O-N 3.41Å
1000G89.7Confident88.4Confident0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-61.3-44.9177.600000113.1I986 N996 Y997 R1003 L1004I986-G1000 WeakPolarHBondContact CD1-O 3.46Å; N996-G1000 PolarHBondContact O-N 2.75Å; Y997-G1000 PolarHBondContact O-N 3.23Å; G1000-R1003 PolarHBondContact O-N 2.92Å; G1000-L1004 WeakPolarHBondContact O-CG 3.36Å; G1000-L1004 PolarHBondContact O-N 3.4Å; G1000-L1004 VanDerWaalsContact O-N 3.09Å
1001L88.9Confident87.9Confident1 Ų155.1 Ų55.11%0.00531%0.306CS..Hα-helixtrans-68.1-39.3176.4-90147.6000112.6Y997 R1003 L1004 K1005 L1023 L1032 V1035 F1044 M1048Y997-L1001 WeakPolarHBondContact O-CB 3.29Å; Y997-L1001 PolarHBondContact O-N 3.33Å; L1001-R1003 VanDerWaalsContact C-N 3.26Å; L1001-R1003 PolarHBondContact O-N 3.15Å; L1001-L1004 PolarHBondContact O-N 3.04Å; L1001-K1005 WeakPolarHBondContact O-CB 3.37Å; L1001-K1005 PolarHBondContact O-N 3.33Å; L1001-L1023 HydrophobicContact CD1-CD2 4.44Å; L1001-L1023 HydrophobicContact CG-CD2 4.08Å; L1001-L1032 HydrophobicContact CD1-CD2 3.78Å; L1001-L1032 HydrophobicContact CG-CD2 4.49Å; L1001-V1035 HydrophobicContact CB-CG1 4.31Å; L1001-V1035 HydrophobicContact CD1-CB 3.63Å; L1001-V1035 HydrophobicContact CD1-CG1 3.4Å; L1001-V1035 HydrophobicContact CD1-CG2 4.5Å; L1001-V1035 HydrophobicContact CG-CG1 4.47Å; L1001-F1044 HydrophobicContact CD2-CE1 4.28Å; L1001-F1044 HydrophobicContact CD2-CZ 4.16Å; L1001-M1048 HydrophobicContact CD2-CE 3.6Å; L1001-M1048 HydrophobicContact CD2-SD 4.04Å
1002S87.9Confident87.6Confident58 Ų5854.9 Ų54.941%0.40631%0.307SS..Hα-helixtrans-60.7-39.4175.5-600000111.1E998 A999 K1005 L1006E998-S1002 WeakPolarHBondContact O-CB 3.27Å; E998-S1002 PolarHBondContact O-N 3.43Å; E998-S1002 PolarHBondContact O-OG 3.37Å; A999-S1002 PolarHBondContact O-N 3.17Å; S1002-K1005 WeakPolarHBondContact O-CB 3.16Å; S1002-K1005 PolarHBondContact O-N 2.88Å; S1002-L1006 PolarHBondContact O-N 3.01Å
1003R89.5Confident87.2Confident42 Ų4257.6 Ų57.616%0.15832%0.322CS..Hα-helixtrans-66.1-40.8175.7-17560.4-179.4102.1-9.2112.9E974 A999 G1000 L1001 L1006 L1007E974-R1003 IonicContact OE1-CZ 3.31Å; E974-R1003 IonicContact OE1-NE 3.59Å; E974-R1003 PolarHBondContact OE1-NE 2.77Å; E974-R1003 IonicContact OE1-NH2 3.06Å; E974-R1003 IonicContact OE2-CZ 3.36Å; E974-R1003 IonicContact OE2-NE 3.6Å; E974-R1003 PolarHBondContact OE2-NE 3.28Å; E974-R1003 IonicContact OE2-NH2 3.88Å; E974-R1003 PolarHBondContact OE2-NH2 2.84Å; A999-R1003 PolarHBondContact O-N 3.41Å; G1000-R1003 PolarHBondContact O-N 2.92Å; L1001-R1003 VanDerWaalsContact C-N 3.26Å; L1001-R1003 PolarHBondContact O-N 3.15Å; R1003-L1006 PolarHBondContact O-N 2.65Å; R1003-L1007 PolarHBondContact O-N 3.26Å
1004L88.8Confident87.2Confident0 Ų059.2 Ų59.20%033%0.328CS..Hα-helixtrans-66.5-38.4174.4-72.5177.6000112I982 I986 G1000 L1001 L1006 L1007 H1008 W1016 L1020 L1023I982-L1004 HydrophobicContact CD1-CD2 4.25Å; I982-L1004 HydrophobicContact CG1-CD2 4.11Å; I986-L1004 HydrophobicContact CD1-CD1 4.11Å; I986-L1004 HydrophobicContact CD1-CD2 3.99Å; I986-L1004 HydrophobicContact CD1-CG 3.73Å; I986-L1004 HydrophobicContact CG1-CD1 4.5Å; I986-L1004 HydrophobicContact CG1-CD2 4.13Å; I986-L1004 HydrophobicContact CG1-CG 4.33Å; G1000-L1004 WeakPolarHBondContact O-CG 3.36Å; G1000-L1004 PolarHBondContact O-N 3.4Å; G1000-L1004 VanDerWaalsContact O-N 3.09Å; L1001-L1004 PolarHBondContact O-N 3.04Å; L1004-L1006 VanDerWaalsContact C-N 3.3Å; L1004-L1006 PolarHBondContact O-N 2.75Å; L1004-L1007 HydrophobicContact CD2-CD1 4.37Å; L1004-L1007 WeakPolarHBondContact O-CB 3.49Å; L1004-L1007 PolarHBondContact O-N 3.41Å; L1004-L1007 VanDerWaalsContact O-N 3.13Å; L1004-H1008 PolarHBondContact O-N 3.03Å; L1004-W1016 VanDerWaalsContact O-CD1 3.26Å; L1004-L1020 HydrophobicContact CD1-CB 4.41Å; L1004-L1023 HydrophobicContact CD1-CD2 4.19Å
1005K87.1Confident87.1Confident35 Ų3555.1 Ų55.115%0.15230%0.301CS..Hα-helixtrans-57.3-44.7175.5-177.9176.9175.8171.60111.1L1001 S1002 L1007 H1008 E1009 D1041 F1044L1001-K1005 WeakPolarHBondContact O-CB 3.37Å; L1001-K1005 PolarHBondContact O-N 3.33Å; S1002-K1005 WeakPolarHBondContact O-CB 3.16Å; S1002-K1005 PolarHBondContact O-N 2.88Å; K1005-L1007 VanDerWaalsContact C-N 3.27Å; K1005-L1007 PolarHBondContact O-N 2.72Å; K1005-H1008 WeakPolarHBondContact O-CB 3.4Å; K1005-H1008 PolarHBondContact O-N 2.67Å; K1005-H1008 VanDerWaalsContact O-N 3.07Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.35Å; K1005-E1009 HydrophobicContact CG-CG 4.42Å; K1005-E1009 IonicContact NZ-OE1 2.71Å; K1005-E1009 WeakPolarHBondContact O-CG 3.46Å; K1005-E1009 PolarHBondContact O-N 3.25Å; K1005-D1041 WeakPolarHBondContact CE-OD2 3.42Å; K1005-D1041 VanDerWaalsContact NZ-CB 3.34Å; K1005-D1041 IonicContact NZ-OD2 2.61Å; K1005-D1041 PolarHBondContact NZ-OD2 2.86Å; K1005-F1044 HydrophobicContact CB-CD2 4.48Å; K1005-F1044 HydrophobicContact CB-CE1 4.31Å; K1005-F1044 HydrophobicContact CB-CE2 3.91Å; K1005-F1044 HydrophobicContact CB-CZ 3.82Å; K1005-F1044 HydrophobicContact CD-CD1 4.18Å; K1005-F1044 HydrophobicContact CD-CD2 4.39Å; K1005-F1044 HydrophobicContact CD-CE1 4.37Å; K1005-F1044 HydrophobicContact CD-CG 4.19Å; K1005-F1044 HydrophobicContact CG-CD2 4.06Å; K1005-F1044 HydrophobicContact CG-CE2 3.99Å; K1005-F1044 HydrophobicContact CG-CG 4.36Å; K1005-F1044 HydrophobicContact CG-CZ 4.23Å
1006L87Confident87.1Confident84 Ų8452.8 Ų52.844%0.4429%0.285SS..Hα-helixtrans-61.4-33.1177.7-165.2131.4000112.8S1002 R1003 L1004 N1010S1002-L1006 PolarHBondContact O-N 3.01Å; R1003-L1006 PolarHBondContact O-N 2.65Å; L1004-L1006 VanDerWaalsContact C-N 3.3Å; L1004-L1006 PolarHBondContact O-N 2.75Å; L1006-N1010 WeakPolarHBondContact CD2-ND2 3.5Å; L1006-N1010 VanDerWaalsContact O-CB 3.32Å; L1006-N1010 WeakPolarHBondContact O-CB 3.47Å; L1006-N1010 PolarHBondContact O-N 2.94Å; L1006-N1010 VanDerWaalsContact O-N 3.09Å; L1006-N1010 PolarHBondContact O-ND2 3.25Å
1007L86Confident86.9Confident9 Ų951.4 Ų51.45%0.04728%0.277CS..Hα-helixtrans-70.3-40.3173-68.3173.9000112.3I982 R1003 L1004 K1005 N1010 G1011 D1012 T1015 W1016I982-L1007 HydrophobicContact CD1-CD1 3.57Å; I982-L1007 HydrophobicContact CG1-CD1 3.78Å; R1003-L1007 PolarHBondContact O-N 3.26Å; L1004-L1007 HydrophobicContact CD2-CD1 4.37Å; L1004-L1007 WeakPolarHBondContact O-CB 3.49Å; L1004-L1007 PolarHBondContact O-N 3.41Å; L1004-L1007 VanDerWaalsContact O-N 3.13Å; K1005-L1007 VanDerWaalsContact C-N 3.27Å; K1005-L1007 PolarHBondContact O-N 2.72Å; L1007-N1010 PolarHBondContact O-N 3.04Å; L1007-G1011 PolarHBondContact O-N 3.07Å; L1007-D1012 PolarHBondContact O-N 3.37Å; L1007-T1015 HydrophobicContact CD1-CG2 4.11Å; L1007-W1016 HydrophobicContact CB-CB 4.46Å
1008H84.5Confident86.7Confident61 Ų6153.8 Ų53.828%0.28229%0.294SS..Hα-helixtrans-63.6-43.8176.1-178.7-80.2000111.5L1004 K1005 N1010 G1011 W1016L1004-H1008 PolarHBondContact O-N 3.03Å; K1005-H1008 WeakPolarHBondContact O-CB 3.4Å; K1005-H1008 PolarHBondContact O-N 2.67Å; K1005-H1008 VanDerWaalsContact O-N 3.07Å; H1008-N1010 VanDerWaalsContact C-N 3.35Å; H1008-G1011 PolarHBondContact O-N 2.85Å; H1008-G1011 VanDerWaalsContact O-N 3.15Å; H1008-W1016 HydrophobicContact CB-CD2 4.37Å; H1008-W1016 HydrophobicContact CB-CG 4.05Å; H1008-W1016 AromaticContact CD2-CD2 3.85Å; H1008-W1016 AromaticContact CD2-CE2 3.92Å; H1008-W1016 AromaticContact CD2-CE3 3.97Å
1009E84.9Confident86.8Confident121 Ų12149 Ų4957%0.56527%0.271SS*.Hα-helixtrans-65.5-36.1176.9-71.7176.6165.600112.7K1005 G1011K1005-E1009 WeakPolarHBondContact CE-OE1 3.35Å; K1005-E1009 HydrophobicContact CG-CG 4.42Å; K1005-E1009 IonicContact NZ-OE1 2.71Å; K1005-E1009 WeakPolarHBondContact O-CG 3.46Å; K1005-E1009 PolarHBondContact O-N 3.25Å; E1009-G1011 PolarHBondContact O-N 2.57Å
1010N84.4Confident86.8Confident118 Ų11847.8 Ų47.863%0.63126%0.26SS*.THydrogen-bonded Turntrans-75.4-0.8175-69-16.9000113.6L1006 L1007 H1008L1006-N1010 WeakPolarHBondContact CD2-ND2 3.5Å; L1006-N1010 VanDerWaalsContact O-CB 3.32Å; L1006-N1010 WeakPolarHBondContact O-CB 3.47Å; L1006-N1010 PolarHBondContact O-N 2.94Å; L1006-N1010 VanDerWaalsContact O-N 3.09Å; L1006-N1010 PolarHBondContact O-ND2 3.25Å; L1007-N1010 PolarHBondContact O-N 3.04Å; H1008-N1010 VanDerWaalsContact C-N 3.35Å
1011G81.1Confident86.8Confident53 Ų5355.4 Ų55.455%0.54629%0.289SS..THydrogen-bonded Turntrans857.117700000115.6L1007 H1008 E1009 I1013L1007-G1011 PolarHBondContact O-N 3.07Å; H1008-G1011 PolarHBondContact O-N 2.85Å; H1008-G1011 VanDerWaalsContact O-N 3.15Å; E1009-G1011 PolarHBondContact O-N 2.57Å; G1011-I1013 VanDerWaalsContact C-N 3.3Å; G1011-I1013 PolarHBondContact O-N 3.48Å
1012D85.7Confident86.8Confident46 Ų4656.9 Ų56.925%0.24630%0.296CS..  trans-8768177.8-168.5-0.4000111.9L1007 N1014 T1015 W1016L1007-D1012 PolarHBondContact O-N 3.37Å; D1012-N1014 VanDerWaalsContact C-N 3.27Å; D1012-N1014 PolarHBondContact O-N 2.8Å; D1012-T1015 VanDerWaalsContact CG-CB 3.43Å; D1012-T1015 WeakPolarHBondContact OD1-CB 3.37Å; D1012-T1015 PolarHBondContact OD1-N 2.77Å; D1012-T1015 PolarHBondContact OD1-OG1 3.05Å; D1012-T1015 WeakPolarHBondContact OD2-CB 3.45Å; D1012-T1015 PolarHBondContact OD2-OG1 2.83Å; D1012-W1016 WeakPolarHBondContact O-CB 3.43Å; D1012-W1016 PolarHBondContact O-N 3.09Å; D1012-W1016 VanDerWaalsContact O-N 3.09Å
1013I83.7Confident87Confident91 Ų9154.1 Ų54.147%0.46728%0.277SS..Hα-helixtrans-63.5-32.2-174.4-62.7166.5000111.8G1011 W1016 N1017G1011-I1013 VanDerWaalsContact C-N 3.3Å; G1011-I1013 PolarHBondContact O-N 3.48Å; I1013-W1016 HydrophobicContact CG2-CE3 4.46Å; I1013-N1017 WeakPolarHBondContact CG2-ND2 3.35Å; I1013-N1017 WeakPolarHBondContact O-CB 3.24Å; I1013-N1017 VanDerWaalsContact O-CG 3.28Å; I1013-N1017 PolarHBondContact O-N 3Å; I1013-N1017 PolarHBondContact O-ND2 2.96Å
1014N85.9Confident87Confident119 Ų11955.2 Ų55.264%0.63628%0.283SS*.Hα-helixtrans-70.7-48.8-177.8-71.4-23.2000111.5D1012 W1016 N1017 N1018D1012-N1014 VanDerWaalsContact C-N 3.27Å; D1012-N1014 PolarHBondContact O-N 2.8Å; N1014-W1016 VanDerWaalsContact C-N 3.33Å; N1014-N1017 WeakPolarHBondContact O-CB 3.11Å; N1014-N1017 PolarHBondContact O-N 3.26Å; N1014-N1018 PolarHBondContact O-N 3.01Å; N1014-N1018 VanDerWaalsContact O-N 3.07Å
1015T86Confident86.9Confident23 Ų2363 Ų6314%0.14131%0.314CS..Hα-helixtrans-66.8-38.1179.1-50.40000111T979 I982 L1007 D1012 N1018 G1019T979-T1015 WeakPolarHBondContact O-CG2 3.43Å; I982-T1015 HydrophobicContact CB-CG2 3.86Å; I982-T1015 HydrophobicContact CG1-CG2 4.21Å; I982-T1015 HydrophobicContact CG2-CG2 3.52Å; L1007-T1015 HydrophobicContact CD1-CG2 4.11Å; D1012-T1015 VanDerWaalsContact CG-CB 3.43Å; D1012-T1015 WeakPolarHBondContact OD1-CB 3.37Å; D1012-T1015 PolarHBondContact OD1-N 2.77Å; D1012-T1015 PolarHBondContact OD1-OG1 3.05Å; D1012-T1015 WeakPolarHBondContact OD2-CB 3.45Å; D1012-T1015 PolarHBondContact OD2-OG1 2.83Å; T1015-N1018 PolarHBondContact O-N 3.16Å; T1015-G1019 PolarHBondContact O-N 2.91Å
1016W88.6Confident87Confident10 Ų1064.5 Ų64.54%0.03832%0.321CS..Hα-helixtrans-57.7-49.2170.717275.2000112.4L1004 L1007 H1008 D1012 I1013 N1014 N1018 G1019 L1020 T1047 M1048 R1051L1004-W1016 VanDerWaalsContact O-CD1 3.26Å; L1007-W1016 HydrophobicContact CB-CB 4.46Å; H1008-W1016 HydrophobicContact CB-CD2 4.37Å; H1008-W1016 HydrophobicContact CB-CG 4.05Å; H1008-W1016 AromaticContact CD2-CD2 3.85Å; H1008-W1016 AromaticContact CD2-CE2 3.92Å; H1008-W1016 AromaticContact CD2-CE3 3.97Å; D1012-W1016 WeakPolarHBondContact O-CB 3.43Å; D1012-W1016 PolarHBondContact O-N 3.09Å; D1012-W1016 VanDerWaalsContact O-N 3.09Å; I1013-W1016 HydrophobicContact CG2-CE3 4.46Å; N1014-W1016 VanDerWaalsContact C-N 3.33Å; W1016-N1018 VanDerWaalsContact C-N 3.31Å; W1016-N1018 PolarHBondContact O-N 2.87Å; W1016-G1019 PolarHBondContact O-N 2.86Å; W1016-L1020 HydrophobicContact CH2-CD2 4.12Å; W1016-L1020 HydrophobicContact CZ2-CD2 3.74Å; W1016-L1020 VanDerWaalsContact O-CB 3.3Å; W1016-L1020 WeakPolarHBondContact O-CB 3.12Å; W1016-L1020 PolarHBondContact O-N 2.9Å; W1016-T1047 HydrophobicContact CH2-CG2 3.78Å; W1016-T1047 HydrophobicContact CZ2-CG2 4.13Å; W1016-M1048 HydrophobicContact CZ2-SD 4.15Å; W1016-R1051 HydrophobicContact CH2-CB 4.21Å; W1016-R1051 HydrophobicContact CH2-CG 3.85Å; W1016-R1051 HydrophobicContact CZ3-CG 4.35Å
1017N87.5Confident87Confident30 Ų3060.7 Ų60.716%0.1630%0.302CS..Hα-helixtrans-59.6-41178.8-86.4-49.1000112.5I1013 N1014 R1021 R1051I1013-N1017 WeakPolarHBondContact CG2-ND2 3.35Å; I1013-N1017 WeakPolarHBondContact O-CB 3.24Å; I1013-N1017 VanDerWaalsContact O-CG 3.28Å; I1013-N1017 PolarHBondContact O-N 3Å; I1013-N1017 PolarHBondContact O-ND2 2.96Å; N1014-N1017 WeakPolarHBondContact O-CB 3.11Å; N1014-N1017 PolarHBondContact O-N 3.26Å; N1017-R1021 VanDerWaalsContact O-CB 3.3Å; N1017-R1021 WeakPolarHBondContact O-CB 3.41Å; N1017-R1021 PolarHBondContact O-N 3.19Å; N1017-R1051 VanDerWaalsContact OD1-CZ 3.24Å; N1017-R1051 PolarHBondContact OD1-NE 3.18Å; N1017-R1051 PolarHBondContact OD1-NH2 2.78Å
1018N87.3Confident87.2Confident100 Ų10063.6 Ų63.654%0.53532%0.32SS..Hα-helixtrans-67.9-47.3178.9-71.8-13.9000111.6N1014 T1015 W1016 L1020 R1021 H1022N1014-N1018 PolarHBondContact O-N 3.01Å; N1014-N1018 VanDerWaalsContact O-N 3.07Å; T1015-N1018 PolarHBondContact O-N 3.16Å; W1016-N1018 VanDerWaalsContact C-N 3.31Å; W1016-N1018 PolarHBondContact O-N 2.87Å; N1018-L1020 PolarHBondContact O-N 3.43Å; N1018-R1021 PolarHBondContact O-N 2.59Å; N1018-H1022 PolarHBondContact O-N 2.82Å
1019G89.5Confident87.3Confident0 Ų063.2 Ų63.20%032%0.323CS..Hα-helixtrans-62.6-41.317700000112.7T1015 W1016 H1022 L1023T1015-G1019 PolarHBondContact O-N 2.91Å; W1016-G1019 PolarHBondContact O-N 2.86Å; G1019-H1022 PolarHBondContact O-N 3.3Å; G1019-L1023 PolarHBondContact O-N 3.26Å
1020L89.6Confident87.4Confident2 Ų261.5 Ų61.51%0.0132%0.316CS..Hα-helixtrans-65.3-45.2176.6178.360.2000112.1L1004 W1016 N1018 H1022 L1023 Q1024 L1032 M1048 R1051L1004-L1020 HydrophobicContact CD1-CB 4.41Å; W1016-L1020 HydrophobicContact CH2-CD2 4.12Å; W1016-L1020 HydrophobicContact CZ2-CD2 3.74Å; W1016-L1020 VanDerWaalsContact O-CB 3.3Å; W1016-L1020 WeakPolarHBondContact O-CB 3.12Å; W1016-L1020 PolarHBondContact O-N 2.9Å; N1018-L1020 PolarHBondContact O-N 3.43Å; L1020-H1022 PolarHBondContact O-N 3.42Å; L1020-L1023 PolarHBondContact O-N 3.46Å; L1020-Q1024 WeakPolarHBondContact O-CG 3.39Å; L1020-Q1024 PolarHBondContact O-N 2.78Å; L1020-Q1024 VanDerWaalsContact O-N 3.11Å; L1020-L1032 HydrophobicContact CD1-CD1 4.21Å; L1020-M1048 HydrophobicContact CD1-CE 3.46Å; L1020-M1048 VanDerWaalsContact CD1-CE 3.46Å; L1020-M1048 HydrophobicContact CD1-SD 3.93Å; L1020-M1048 HydrophobicContact CD2-CE 4.28Å; L1020-M1048 HydrophobicContact CD2-SD 3.85Å; L1020-R1051 HydrophobicContact CD2-CB 4.21Å; L1020-R1051 HydrophobicContact CD2-CG 3.57Å
1021R88.9Confident87.6Confident161 Ų16160 Ų6061%0.60831%0.306SS*.Hα-helixtrans-58.6-37.3175.9-175.4-179.9-180-177.70.2111.4N1017 N1018N1017-R1021 VanDerWaalsContact O-CB 3.3Å; N1017-R1021 WeakPolarHBondContact O-CB 3.41Å; N1017-R1021 PolarHBondContact O-N 3.19Å; N1018-R1021 PolarHBondContact O-N 2.59Å
1022H90Very high88Confident31 Ų3157.5 Ų57.514%0.14428%0.28CS..Hα-helixtrans-71-42176.4-166.579.4000112.4V983 T987 N1018 G1019 L1020 Q1024 Y1025 F1026V983-H1022 HydrophobicContact CG1-CB 4.14Å; V983-H1022 HydrophobicContact CG2-CB 4.41Å; T987-H1022 PolarHBondContact OG1-CD2 3.26Å; T987-H1022 PolarHBondContact OG1-NE2 3.01Å; N1018-H1022 PolarHBondContact O-N 2.82Å; G1019-H1022 PolarHBondContact O-N 3.3Å; L1020-H1022 PolarHBondContact O-N 3.42Å; H1022-Q1024 PolarHBondContact O-N 3.17Å; H1022-Y1025 AromaticContact ND1-CD2 3.84Å; H1022-Y1025 WeakPolarHBondContact O-CB 3.38Å; H1022-Y1025 WeakPolarHBondContact O-CD2 3.35Å; H1022-Y1025 PolarHBondContact O-N 3.07Å; H1022-F1026 AromaticContact CD2-CE2 3.82Å; H1022-F1026 AromaticContact NE2-CE2 3.56Å
1023L90.3Very high88.2Confident1 Ų155.9 Ų55.91%0.00527%0.27CS..Hα-helixtrans-59.9-31.3177.9-171.658.4000112.6I986 Y997 L1001 L1004 G1019 L1020 Y1025 F1026 A1027 L1032I986-L1023 HydrophobicContact CG2-CB 3.83Å; I986-L1023 HydrophobicContact CG2-CD1 3.73Å; I986-L1023 HydrophobicContact CG2-CG 4.21Å; Y997-L1023 HydrophobicContact CD1-CD1 4.07Å; Y997-L1023 HydrophobicContact CE1-CD1 4.47Å; L1001-L1023 HydrophobicContact CD1-CD2 4.44Å; L1001-L1023 HydrophobicContact CG-CD2 4.08Å; L1004-L1023 HydrophobicContact CD1-CD2 4.19Å; G1019-L1023 PolarHBondContact O-N 3.26Å; L1020-L1023 PolarHBondContact O-N 3.46Å; L1023-Y1025 PolarHBondContact O-N 3.15Å; L1023-F1026 PolarHBondContact O-N 2.85Å; L1023-A1027 PolarHBondContact O-N 3.49Å; L1023-A1027 VanDerWaalsContact O-N 3.14Å; L1023-L1032 HydrophobicContact CD2-CD2 3.56Å; L1023-L1032 HydrophobicContact CG-CD2 3.84Å
1024Q89.5Confident88.5Confident64 Ų6456.5 Ų56.530%0.29927%0.27SS..THydrogen-bonded Turntrans-62.6-15.7175-72.6176.2-44.900114.2L1020 H1022 F1026 L1032L1020-Q1024 WeakPolarHBondContact O-CG 3.39Å; L1020-Q1024 PolarHBondContact O-N 2.78Å; L1020-Q1024 VanDerWaalsContact O-N 3.11Å; H1022-Q1024 PolarHBondContact O-N 3.17Å; Q1024-F1026 VanDerWaalsContact C-N 3.27Å; Q1024-L1032 HydrophobicContact CG-CD1 3.73Å
1025Y88Confident88.6Confident165 Ų16552.4 Ų52.465%0.64725%0.249SC*.THydrogen-bonded Turntrans-72-22.2170.3-66.7-56000112.9H1022 L1023H1022-Y1025 AromaticContact ND1-CD2 3.84Å; H1022-Y1025 WeakPolarHBondContact O-CB 3.38Å; H1022-Y1025 WeakPolarHBondContact O-CD2 3.35Å; H1022-Y1025 PolarHBondContact O-N 3.07Å; L1023-Y1025 PolarHBondContact O-N 3.15Å
1026F88.5Confident88.8Confident65 Ų6551.3 Ų51.329%0.28524%0.242SC..THydrogen-bonded Turntrans-109.3-21.8-175.2-58.3-78.7000114.1T987 A990 Y997 H1022 L1023 Q1024T987-F1026 HydrophobicContact CG2-CE2 4.4Å; T987-F1026 HydrophobicContact CG2-CZ 4.01Å; A990-F1026 HydrophobicContact CB-CB 3.92Å; A990-F1026 HydrophobicContact CB-CD1 4.14Å; A990-F1026 HydrophobicContact CB-CD2 3.8Å; A990-F1026 HydrophobicContact CB-CE2 4.34Å; A990-F1026 HydrophobicContact CB-CG 3.68Å; Y997-F1026 HydrophobicContact CE1-CB 4.32Å; Y997-F1026 PolarHBondContact OH-O 3.47Å; H1022-F1026 AromaticContact CD2-CE2 3.82Å; H1022-F1026 AromaticContact NE2-CE2 3.56Å; L1023-F1026 PolarHBondContact O-N 2.85Å; Q1024-F1026 VanDerWaalsContact C-N 3.27Å
1027A88.4Confident88.9Confident5 Ų550.9 Ų50.94%0.04124%0.24CC..SBendtrans-134.7144-176.200000111.3Y997 L1023 L1032Y997-A1027 HydrophobicContact CD1-CB 4.2Å; Y997-A1027 HydrophobicContact CE1-CB 3.89Å; Y997-A1027 HydrophobicContact CE2-CB 4.24Å; L1023-A1027 PolarHBondContact O-N 3.49Å; L1023-A1027 VanDerWaalsContact O-N 3.14Å; A1027-L1032 HydrophobicContact CB-CD2 3.75Å; A1027-L1032 HydrophobicContact CB-CG 3.96Å
1028T88.3Confident88.9Confident69 Ų6949.7 Ų49.742%0.42324%0.236SC..  trans-73.4153.8178.761.20000111.8I1030 E1031 L1032T1028-I1030 PolarHBondContact O-N 3.11Å; T1028-I1030 VanDerWaalsContact O-N 3.15Å; T1028-E1031 PolarHBondContact N-OE2 3.45Å; T1028-E1031 PolarHBondContact O-N 3.46Å; T1028-E1031 WeakPolarHBondContact OG1-CB 3.49Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.38Å; T1028-E1031 PolarHBondContact OG1-N 2.81Å; T1028-E1031 PolarHBondContact OG1-OE2 2.88Å; T1028-L1032 PolarHBondContact O-N 3.34Å
1029P86.6Confident88.9Confident53 Ų5346.6 Ų46.634%0.34422%0.221SC..Hα-helixtrans-47.5-42.5173.1-33.839.1000113.9L1032 Y1033 L1054P1029-L1032 PolarHBondContact O-N 2.8Å; P1029-Y1033 WeakPolarHBondContact O-CB 3.31Å; P1029-Y1033 PolarHBondContact O-N 2.72Å; P1029-L1054 HydrophobicContact CB-CD2 4.47Å; P1029-L1054 HydrophobicContact CB-CG 4.25Å
1030I88.5Confident88.9Confident85 Ų8549.7 Ų49.744%0.43623%0.233SC..Hα-helixtrans-67.4-41.1-179.5-62.5167.6000111.2T1028 K1034 L1054T1028-I1030 PolarHBondContact O-N 3.11Å; T1028-I1030 VanDerWaalsContact O-N 3.15Å; I1030-K1034 HydrophobicContact CG2-CD 4.11Å; I1030-K1034 WeakPolarHBondContact O-CB 3.46Å; I1030-K1034 VanDerWaalsContact O-CG 3.28Å; I1030-K1034 WeakPolarHBondContact O-CG 3.12Å; I1030-K1034 PolarHBondContact O-N 3.17Å; I1030-L1054 HydrophobicContact CG1-CD2 3.71Å
1031E87.9Confident88.8Confident87 Ų8751.7 Ų51.741%0.40724%0.243SC..Hα-helixtrans-64.7-44.7176.5-75163.4156.900111.1T1028 Y1033 K1034 V1035T1028-E1031 PolarHBondContact N-OE2 3.45Å; T1028-E1031 PolarHBondContact O-N 3.46Å; T1028-E1031 WeakPolarHBondContact OG1-CB 3.49Å; T1028-E1031 WeakPolarHBondContact OG1-CG 3.38Å; T1028-E1031 PolarHBondContact OG1-N 2.81Å; T1028-E1031 PolarHBondContact OG1-OE2 2.88Å; E1031-Y1033 PolarHBondContact O-N 3.42Å; E1031-K1034 PolarHBondContact O-N 3.11Å; E1031-V1035 VanDerWaalsContact O-CG2 3.3Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.43Å; E1031-V1035 PolarHBondContact O-N 2.7Å
1032L89.2Confident88.8Confident1 Ų144.7 Ų44.71%0.00522%0.218CC..Hα-helixtrans-62.2-42.9177.9-65.6177.4000112L1001 L1020 L1023 Q1024 A1027 T1028 P1029 V1035 A1036 M1048 T1052L1001-L1032 HydrophobicContact CD1-CD2 3.78Å; L1001-L1032 HydrophobicContact CG-CD2 4.49Å; L1020-L1032 HydrophobicContact CD1-CD1 4.21Å; L1023-L1032 HydrophobicContact CD2-CD2 3.56Å; L1023-L1032 HydrophobicContact CG-CD2 3.84Å; Q1024-L1032 HydrophobicContact CG-CD1 3.73Å; A1027-L1032 HydrophobicContact CB-CD2 3.75Å; A1027-L1032 HydrophobicContact CB-CG 3.96Å; T1028-L1032 PolarHBondContact O-N 3.34Å; P1029-L1032 PolarHBondContact O-N 2.8Å; L1032-V1035 PolarHBondContact O-N 3.49Å; L1032-A1036 WeakPolarHBondContact O-CB 3.36Å; L1032-A1036 PolarHBondContact O-N 3.11Å; L1032-M1048 HydrophobicContact CB-CE 3.89Å; L1032-T1052 HydrophobicContact CD1-CG2 4.34Å
1033Y90.5Very high88.7Confident12 Ų1249.2 Ų49.25%0.04724%0.243CC..Hα-helixtrans-62.5-43.6174.2169.5-106.4000112.2P1029 E1031 V1035 A1036 L1037 A1045 A1049 L1054 E1062P1029-Y1033 WeakPolarHBondContact O-CB 3.31Å; P1029-Y1033 PolarHBondContact O-N 2.72Å; E1031-Y1033 PolarHBondContact O-N 3.42Å; Y1033-V1035 PolarHBondContact O-N 2.87Å; Y1033-A1036 WeakPolarHBondContact O-CB 3.49Å; Y1033-A1036 PolarHBondContact O-N 2.89Å; Y1033-L1037 WeakPolarHBondContact O-CB 3.27Å; Y1033-L1037 PolarHBondContact O-N 2.78Å; Y1033-A1045 HydrophobicContact CE2-CB 4.19Å; Y1033-A1049 HydrophobicContact CD2-CB 3.75Å; Y1033-A1049 HydrophobicContact CE2-CB 4Å; Y1033-L1054 HydrophobicContact CD1-CD1 4.33Å; Y1033-L1054 HydrophobicContact CD2-CD1 4.35Å; Y1033-L1054 HydrophobicContact CG-CD1 3.78Å; Y1033-E1062 VanDerWaalsContact CE1-OE2 3.23Å; Y1033-E1062 WeakPolarHBondContact CE1-OE2 3.36Å; Y1033-E1062 PolarHBondContact OH-OE2 3Å
1034K89.6Confident88.6Confident103 Ų10349.6 Ų49.645%0.44825%0.245SC..Hα-helixtrans-64.2-39177-77177.2-178.8177.30112.9I1030 E1031 L1037 G1038 L1096I1030-K1034 HydrophobicContact CG2-CD 4.11Å; I1030-K1034 WeakPolarHBondContact O-CB 3.46Å; I1030-K1034 VanDerWaalsContact O-CG 3.28Å; I1030-K1034 WeakPolarHBondContact O-CG 3.12Å; I1030-K1034 PolarHBondContact O-N 3.17Å; E1031-K1034 PolarHBondContact O-N 3.11Å; K1034-L1037 PolarHBondContact O-N 3.35Å; K1034-G1038 PolarHBondContact O-N 3.27Å; K1034-L1096 HydrophobicContact CB-CD2 3.66Å; K1034-L1096 HydrophobicContact CG-CD2 3.86Å; K1034-L1096 WeakPolarHBondContact O-CD2 3.27Å
1035V88.5Confident88.6Confident33 Ų3346.6 Ų46.620%0.223%0.231CC..Hα-helixtrans-66.9-41.4174.8176.50000110.3E998 L1001 E1031 L1032 Y1033 G1038 T1039E998-V1035 HydrophobicContact CB-CG1 4.17Å; L1001-V1035 HydrophobicContact CB-CG1 4.31Å; L1001-V1035 HydrophobicContact CD1-CB 3.63Å; L1001-V1035 HydrophobicContact CD1-CG1 3.4Å; L1001-V1035 HydrophobicContact CD1-CG2 4.5Å; L1001-V1035 HydrophobicContact CG-CG1 4.47Å; E1031-V1035 VanDerWaalsContact O-CG2 3.3Å; E1031-V1035 WeakPolarHBondContact O-CG2 3.43Å; E1031-V1035 PolarHBondContact O-N 2.7Å; L1032-V1035 PolarHBondContact O-N 3.49Å; Y1033-V1035 PolarHBondContact O-N 2.87Å; V1035-G1038 PolarHBondContact O-N 3.31Å; V1035-T1039 PolarHBondContact O-N 2.67Å
1036A90.1Very high88.6Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-62.3-42.7174.500000112.2L1032 Y1033 G1038 T1039 F1044 A1045 M1048L1032-A1036 WeakPolarHBondContact O-CB 3.36Å; L1032-A1036 PolarHBondContact O-N 3.11Å; Y1033-A1036 WeakPolarHBondContact O-CB 3.49Å; Y1033-A1036 PolarHBondContact O-N 2.89Å; A1036-G1038 PolarHBondContact O-N 3.21Å; A1036-T1039 WeakPolarHBondContact O-CB 3.35Å; A1036-T1039 PolarHBondContact O-N 3.48Å; A1036-T1039 PolarHBondContact O-OG1 2.97Å; A1036-F1044 HydrophobicContact CB-CD1 3.9Å; A1036-F1044 HydrophobicContact CB-CE1 3.87Å; A1036-A1045 HydrophobicContact CB-CB 4.42Å; A1036-M1048 HydrophobicContact CB-CB 4.02Å; A1036-M1048 HydrophobicContact CB-CG 3.86Å
1037L89.9Confident88.6Confident1 Ų139 Ų391%0.00521%0.207CC..Hα-helixtrans-60.5-36.6175.1-163.373.7000111.4Y1033 K1034 T1039 Y1040 L1042 A1045 L1063 L1066 I1092 L1096Y1033-L1037 WeakPolarHBondContact O-CB 3.27Å; Y1033-L1037 PolarHBondContact O-N 2.78Å; K1034-L1037 PolarHBondContact O-N 3.35Å; L1037-T1039 PolarHBondContact O-N 2.86Å; L1037-T1039 VanDerWaalsContact O-N 3.15Å; L1037-Y1040 PolarHBondContact O-N 3.32Å; L1037-L1042 HydrophobicContact CD1-CD2 4.01Å; L1037-A1045 HydrophobicContact CD1-CB 4.1Å; L1037-L1063 HydrophobicContact CD1-CD2 4.16Å; L1037-L1066 HydrophobicContact CD1-CD1 4.03Å; L1037-I1092 HydrophobicContact CD2-CG2 4.18Å; L1037-I1092 HydrophobicContact CG-CG1 4.39Å; L1037-I1092 HydrophobicContact CG-CG2 3.88Å; L1037-I1092 WeakPolarHBondContact O-CG2 3.22Å; L1037-L1096 HydrophobicContact CD2-CD2 4.3Å; L1037-L1096 HydrophobicContact CD2-CG 4.5Å
1038G88.8Confident88.5Confident6 Ų638.7 Ų38.76%0.06221%0.205CC..THydrogen-bonded Turntrans-66.1-8.2174.700000115.4K1034 V1035 A1036 Y1040K1034-G1038 PolarHBondContact O-N 3.27Å; V1035-G1038 PolarHBondContact O-N 3.31Å; A1036-G1038 PolarHBondContact O-N 3.21Å; G1038-Y1040 VanDerWaalsContact C-N 3.29Å
1039T87Confident88.5Confident35 Ų3535.4 Ų35.422%0.21519%0.185CC..THydrogen-bonded Turntrans-85.3-3170.871.30000113.1V1035 A1036 L1037 D1041V1035-T1039 PolarHBondContact O-N 2.67Å; A1036-T1039 WeakPolarHBondContact O-CB 3.35Å; A1036-T1039 PolarHBondContact O-N 3.48Å; A1036-T1039 PolarHBondContact O-OG1 2.97Å; L1037-T1039 PolarHBondContact O-N 2.86Å; L1037-T1039 VanDerWaalsContact O-N 3.15Å; T1039-D1041 PolarHBondContact O-N 3.47Å; T1039-D1041 VanDerWaalsContact O-N 3.13Å
1040Y88.5Confident88.6Confident65 Ų6538.4 Ų38.426%0.25519%0.194SC..THydrogen-bonded Turntrans61.111-177.1-45.5-67.2000115.2L1037 G1038 Q1089 I1092 D1093L1037-Y1040 PolarHBondContact O-N 3.32Å; G1038-Y1040 VanDerWaalsContact C-N 3.29Å; Y1040-Q1089 HydrophobicContact CD1-CB 4.24Å; Y1040-Q1089 HydrophobicContact CD1-CG 3.8Å; Y1040-Q1089 HydrophobicContact CE1-CB 4.19Å; Y1040-Q1089 HydrophobicContact CE1-CG 4.17Å; Y1040-Q1089 HydrophobicContact CG-CG 4.17Å; Y1040-I1092 HydrophobicContact CD1-CD1 4.21Å; Y1040-I1092 HydrophobicContact CD1-CG2 4.11Å; Y1040-I1092 HydrophobicContact CE1-CG2 4.18Å; Y1040-D1093 PolarHBondContact OH-OD1 2.97Å; Y1040-D1093 PolarHBondContact OH-OD2 3.36Å
1041D88.1Confident88.5Confident44 Ų4439.1 Ų39.124%0.23519%0.191CC..  trans-99.498.7174.4-176.1-16.8000110.3K1005 T1039 N1043 F1044 A1045K1005-D1041 WeakPolarHBondContact CE-OD2 3.42Å; K1005-D1041 VanDerWaalsContact NZ-CB 3.34Å; K1005-D1041 IonicContact NZ-OD2 2.61Å; K1005-D1041 PolarHBondContact NZ-OD2 2.86Å; T1039-D1041 PolarHBondContact O-N 3.47Å; T1039-D1041 VanDerWaalsContact O-N 3.13Å; D1041-N1043 VanDerWaalsContact C-N 3.27Å; D1041-N1043 PolarHBondContact O-N 3.34Å; D1041-N1043 WeakPolarHBondContact OD1-CB 3.48Å; D1041-N1043 PolarHBondContact OD1-N 3.1Å; D1041-N1043 VanDerWaalsContact OD1-N 3.07Å; D1041-F1044 HydrophobicContact CB-CB 3.92Å; D1041-F1044 PolarHBondContact O-N 2.9Å; D1041-F1044 PolarHBondContact OD1-N 3.01Å; D1041-A1045 PolarHBondContact O-N 3.02Å
1042L88.8Confident88.3Confident13 Ų1335.4 Ų35.47%0.06817%0.174CC..Hα-helixtrans-65.4-29.8-177.8-61.6-178.2000112.7L1037 A1045 T1046 L1063 L1066 N1067 I1092L1037-L1042 HydrophobicContact CD1-CD2 4.01Å; L1042-A1045 PolarHBondContact O-N 3.49Å; L1042-T1046 WeakPolarHBondContact O-CB 3.43Å; L1042-T1046 PolarHBondContact O-N 2.8Å; L1042-T1046 PolarHBondContact O-OG1 2.74Å; L1042-L1063 HydrophobicContact CB-CD2 4.43Å; L1042-L1063 HydrophobicContact CD2-CD2 3.89Å; L1042-L1066 HydrophobicContact CD1-CB 4.22Å; L1042-L1066 HydrophobicContact CD2-CB 4.41Å; L1042-L1066 HydrophobicContact CD2-CD1 4.02Å; L1042-N1067 VanDerWaalsContact CD1-OD1 3.25Å; L1042-N1067 WeakPolarHBondContact CD1-OD1 3.47Å; L1042-I1092 HydrophobicContact CD2-CD1 4.1Å
1043N88.1Confident88.1Confident127 Ų12743.8 Ų43.868%0.67921%0.214SC*.Hα-helixtrans-69.3-45.2176.9-69.2-31000109.9D1041 A1045 T1046 T1047D1041-N1043 VanDerWaalsContact C-N 3.27Å; D1041-N1043 PolarHBondContact O-N 3.34Å; D1041-N1043 WeakPolarHBondContact OD1-CB 3.48Å; D1041-N1043 PolarHBondContact OD1-N 3.1Å; D1041-N1043 VanDerWaalsContact OD1-N 3.07Å; N1043-A1045 PolarHBondContact O-N 2.8Å; N1043-T1046 WeakPolarHBondContact O-CB 3.27Å; N1043-T1046 PolarHBondContact O-N 3.04Å; N1043-T1047 PolarHBondContact O-N 3.37Å; N1043-T1047 PolarHBondContact O-OG1 3.31Å; N1043-T1047 VanDerWaalsContact O-OG1 3.08Å
1044F87.5Confident87.8Confident9 Ų944.4 Ų44.44%0.03922%0.218CC..Hα-helixtrans-62.2-41.9174.7-176.5-112.1000112.1L1001 K1005 A1036 D1041 T1046 T1047 M1048L1001-F1044 HydrophobicContact CD2-CE1 4.28Å; L1001-F1044 HydrophobicContact CD2-CZ 4.16Å; K1005-F1044 HydrophobicContact CB-CD2 4.48Å; K1005-F1044 HydrophobicContact CB-CE1 4.31Å; K1005-F1044 HydrophobicContact CB-CE2 3.91Å; K1005-F1044 HydrophobicContact CB-CZ 3.82Å; K1005-F1044 HydrophobicContact CD-CD1 4.18Å; K1005-F1044 HydrophobicContact CD-CD2 4.39Å; K1005-F1044 HydrophobicContact CD-CE1 4.37Å; K1005-F1044 HydrophobicContact CD-CG 4.19Å; K1005-F1044 HydrophobicContact CG-CD2 4.06Å; K1005-F1044 HydrophobicContact CG-CE2 3.99Å; K1005-F1044 HydrophobicContact CG-CG 4.36Å; K1005-F1044 HydrophobicContact CG-CZ 4.23Å; A1036-F1044 HydrophobicContact CB-CD1 3.9Å; A1036-F1044 HydrophobicContact CB-CE1 3.87Å; D1041-F1044 HydrophobicContact CB-CB 3.92Å; D1041-F1044 PolarHBondContact O-N 2.9Å; D1041-F1044 PolarHBondContact OD1-N 3.01Å; F1044-T1046 VanDerWaalsContact C-N 3.33Å; F1044-T1046 PolarHBondContact O-N 3.13Å; F1044-T1047 PolarHBondContact O-N 3.01Å; F1044-M1048 HydrophobicContact CD1-CG 4.34Å; F1044-M1048 HydrophobicContact CE1-CG 3.97Å; F1044-M1048 HydrophobicContact CE2-CG 4.17Å; F1044-M1048 HydrophobicContact CE2-SD 4.49Å; F1044-M1048 HydrophobicContact CZ-CG 3.87Å; F1044-M1048 HydrophobicContact CZ-SD 4.15Å; F1044-M1048 WeakPolarHBondContact O-CB 3.41Å; F1044-M1048 WeakPolarHBondContact O-CG 3.44Å; F1044-M1048 PolarHBondContact O-N 2.68Å
1045A89.4Confident87.6Confident0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-61.7-39.3174.300000112.4Y1033 A1036 L1037 D1041 L1042 N1043 M1048 A1049 L1063Y1033-A1045 HydrophobicContact CE2-CB 4.19Å; A1036-A1045 HydrophobicContact CB-CB 4.42Å; L1037-A1045 HydrophobicContact CD1-CB 4.1Å; D1041-A1045 PolarHBondContact O-N 3.02Å; L1042-A1045 PolarHBondContact O-N 3.49Å; N1043-A1045 PolarHBondContact O-N 2.8Å; A1045-M1048 PolarHBondContact O-N 2.71Å; A1045-A1049 WeakPolarHBondContact O-CB 3.4Å; A1045-A1049 PolarHBondContact O-N 3.22Å; A1045-L1063 HydrophobicContact CB-CD2 4.43Å
1046T89.6Confident87.5Confident29 Ų2945.4 Ų45.418%0.17823%0.23CC..Hα-helixtrans-61.6-49.3174.3-53.50000111L1042 N1043 F1044 M1048 A1049 Q1050 L1063L1042-T1046 WeakPolarHBondContact O-CB 3.43Å; L1042-T1046 PolarHBondContact O-N 2.8Å; L1042-T1046 PolarHBondContact O-OG1 2.74Å; N1043-T1046 WeakPolarHBondContact O-CB 3.27Å; N1043-T1046 PolarHBondContact O-N 3.04Å; F1044-T1046 VanDerWaalsContact C-N 3.33Å; F1044-T1046 PolarHBondContact O-N 3.13Å; T1046-M1048 VanDerWaalsContact C-N 3.3Å; T1046-M1048 PolarHBondContact O-N 3.38Å; T1046-A1049 PolarHBondContact O-N 2.81Å; T1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; T1046-Q1050 PolarHBondContact O-N 3.48Å; T1046-L1063 HydrophobicContact CG2-CD1 4.33Å; T1046-L1063 VanDerWaalsContact OG1-CD1 3.3Å; T1046-L1063 WeakPolarHBondContact OG1-CD1 3.3Å
1047T87.4Confident87.2Confident41 Ų4153.8 Ų53.825%0.25227%0.267SS..Hα-helixtrans-59.2-43.7177.8-59.50000110.8W1016 N1043 F1044 R1051W1016-T1047 HydrophobicContact CH2-CG2 3.78Å; W1016-T1047 HydrophobicContact CZ2-CG2 4.13Å; N1043-T1047 PolarHBondContact O-N 3.37Å; N1043-T1047 PolarHBondContact O-OG1 3.31Å; N1043-T1047 VanDerWaalsContact O-OG1 3.08Å; F1044-T1047 PolarHBondContact O-N 3.01Å; T1047-R1051 WeakPolarHBondContact O-CB 3.17Å; T1047-R1051 PolarHBondContact O-N 3.43Å
1048M87.5Confident86.8Confident0 Ų060.4 Ų60.40%030%0.298CS..Hα-helixtrans-64.3-42.1176.7-76.7-64.2-58.800112.4L1001 W1016 L1020 L1032 A1036 F1044 A1045 T1046 R1051 T1052L1001-M1048 HydrophobicContact CD2-CE 3.6Å; L1001-M1048 HydrophobicContact CD2-SD 4.04Å; W1016-M1048 HydrophobicContact CZ2-SD 4.15Å; L1020-M1048 HydrophobicContact CD1-CE 3.46Å; L1020-M1048 VanDerWaalsContact CD1-CE 3.46Å; L1020-M1048 HydrophobicContact CD1-SD 3.93Å; L1020-M1048 HydrophobicContact CD2-CE 4.28Å; L1020-M1048 HydrophobicContact CD2-SD 3.85Å; L1032-M1048 HydrophobicContact CB-CE 3.89Å; A1036-M1048 HydrophobicContact CB-CB 4.02Å; A1036-M1048 HydrophobicContact CB-CG 3.86Å; F1044-M1048 HydrophobicContact CD1-CG 4.34Å; F1044-M1048 HydrophobicContact CE1-CG 3.97Å; F1044-M1048 HydrophobicContact CE2-CG 4.17Å; F1044-M1048 HydrophobicContact CE2-SD 4.49Å; F1044-M1048 HydrophobicContact CZ-CG 3.87Å; F1044-M1048 HydrophobicContact CZ-SD 4.15Å; F1044-M1048 WeakPolarHBondContact O-CB 3.41Å; F1044-M1048 WeakPolarHBondContact O-CG 3.44Å; F1044-M1048 PolarHBondContact O-N 2.68Å; A1045-M1048 PolarHBondContact O-N 2.71Å; T1046-M1048 VanDerWaalsContact C-N 3.3Å; T1046-M1048 PolarHBondContact O-N 3.38Å; M1048-R1051 PolarHBondContact O-N 2.87Å; M1048-T1052 HydrophobicContact CE-CG2 4.23Å; M1048-T1052 VanDerWaalsContact O-CB 3.32Å; M1048-T1052 WeakPolarHBondContact O-CB 3.45Å; M1048-T1052 WeakPolarHBondContact O-CG2 2.85Å; M1048-T1052 PolarHBondContact O-N 2.61Å; M1048-T1052 PolarHBondContact O-OG1 3.25Å
1049A88Confident86.8Confident0 Ų060.9 Ų60.90%030%0.298CS..Hα-helixtrans-64.4-46.9178.300000112.3Y1033 A1045 T1046 R1051 T1052 Q1053 L1054 Y1059Y1033-A1049 HydrophobicContact CD2-CB 3.75Å; Y1033-A1049 HydrophobicContact CE2-CB 4Å; A1045-A1049 WeakPolarHBondContact O-CB 3.4Å; A1045-A1049 PolarHBondContact O-N 3.22Å; T1046-A1049 PolarHBondContact O-N 2.81Å; A1049-R1051 VanDerWaalsContact C-N 3.32Å; A1049-R1051 PolarHBondContact O-N 3.19Å; A1049-T1052 PolarHBondContact O-N 2.97Å; A1049-T1052 PolarHBondContact O-OG1 3.11Å; A1049-Q1053 PolarHBondContact O-N 2.76Å; A1049-L1054 HydrophobicContact CB-CB 4.42Å; A1049-L1054 HydrophobicContact CB-CD1 4.25Å; A1049-L1054 PolarHBondContact O-N 3.09Å; A1049-L1054 VanDerWaalsContact O-N 3.16Å; A1049-Y1059 HydrophobicContact CB-CD1 3.81Å; A1049-Y1059 HydrophobicContact CB-CD2 3.49Å; A1049-Y1059 VanDerWaalsContact CB-CD2 3.49Å; A1049-Y1059 HydrophobicContact CB-CE1 4.08Å; A1049-Y1059 HydrophobicContact CB-CE2 3.83Å; A1049-Y1059 HydrophobicContact CB-CG 3.52Å
1050Q88.2Confident86.9Confident115 Ų11562.3 Ų62.354%0.53730%0.304SS..Hα-helixtrans-60.2-44.1175.1-71.5176.2-1.200111.1T1046 T1052 Q1053 Y1059T1046-Q1050 WeakPolarHBondContact O-CG 3.34Å; T1046-Q1050 PolarHBondContact O-N 3.48Å; Q1050-T1052 VanDerWaalsContact C-N 3.35Å; Q1050-T1052 PolarHBondContact O-N 2.71Å; Q1050-Q1053 PolarHBondContact O-N 2.78Å; Q1050-Y1059 HydrophobicContact CG-CE2 4.49Å; Q1050-Y1059 WeakPolarHBondContact CG-OH 3.5Å
1051R85.7Confident86.8Confident101 Ų10162 Ų6238%0.38132%0.315SS..Hα-helixtrans-71.7-29.8-175.8-16761.1177.789.9-1.2113.5W1016 N1017 L1020 T1047 M1048 A1049W1016-R1051 HydrophobicContact CH2-CB 4.21Å; W1016-R1051 HydrophobicContact CH2-CG 3.85Å; W1016-R1051 HydrophobicContact CZ3-CG 4.35Å; N1017-R1051 VanDerWaalsContact OD1-CZ 3.24Å; N1017-R1051 PolarHBondContact OD1-NE 3.18Å; N1017-R1051 PolarHBondContact OD1-NH2 2.78Å; L1020-R1051 HydrophobicContact CD2-CB 4.21Å; L1020-R1051 HydrophobicContact CD2-CG 3.57Å; T1047-R1051 WeakPolarHBondContact O-CB 3.17Å; T1047-R1051 PolarHBondContact O-N 3.43Å; M1048-R1051 PolarHBondContact O-N 2.87Å; A1049-R1051 VanDerWaalsContact C-N 3.32Å; A1049-R1051 PolarHBondContact O-N 3.19Å
1052T84Confident86.8Confident9 Ų963 Ų636%0.05532%0.318CS..THydrogen-bonded Turntrans-90.52.717858.80000113.6L1032 M1048 A1049 Q1050 L1054L1032-T1052 HydrophobicContact CD1-CG2 4.34Å; M1048-T1052 HydrophobicContact CE-CG2 4.23Å; M1048-T1052 VanDerWaalsContact O-CB 3.32Å; M1048-T1052 WeakPolarHBondContact O-CB 3.45Å; M1048-T1052 WeakPolarHBondContact O-CG2 2.85Å; M1048-T1052 PolarHBondContact O-N 2.61Å; M1048-T1052 PolarHBondContact O-OG1 3.25Å; A1049-T1052 PolarHBondContact O-N 2.97Å; A1049-T1052 PolarHBondContact O-OG1 3.11Å; Q1050-T1052 VanDerWaalsContact C-N 3.35Å; Q1050-T1052 PolarHBondContact O-N 2.71Å; T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 3Å
1053Q84.1Confident86.8Confident177 Ų17762.5 Ų62.583%0.82732%0.315SS*.THydrogen-bonded Turntrans5936.6178.4-55.7178.1-1.500113.8A1049 Q1050A1049-Q1053 PolarHBondContact O-N 2.76Å; Q1050-Q1053 PolarHBondContact O-N 2.78Å
1054L85.3Confident86.8Confident25 Ų2561.2 Ų61.213%0.13131%0.309CS..  trans-65.3149.5168.7-82.3157000110.4P1029 I1030 Y1033 A1049 T1052 P1056 Y1059P1029-L1054 HydrophobicContact CB-CD2 4.47Å; P1029-L1054 HydrophobicContact CB-CG 4.25Å; I1030-L1054 HydrophobicContact CG1-CD2 3.71Å; Y1033-L1054 HydrophobicContact CD1-CD1 4.33Å; Y1033-L1054 HydrophobicContact CD2-CD1 4.35Å; Y1033-L1054 HydrophobicContact CG-CD1 3.78Å; A1049-L1054 HydrophobicContact CB-CB 4.42Å; A1049-L1054 HydrophobicContact CB-CD1 4.25Å; A1049-L1054 PolarHBondContact O-N 3.09Å; A1049-L1054 VanDerWaalsContact O-N 3.16Å; T1052-L1054 VanDerWaalsContact C-N 3.31Å; T1052-L1054 PolarHBondContact O-N 3Å; L1054-P1056 VanDerWaalsContact O-CD 3.27Å; L1054-P1056 WeakPolarHBondContact O-CD 3.41Å; L1054-Y1059 HydrophobicContact CB-CD1 3.86Å; L1054-Y1059 HydrophobicContact CB-CE1 4.47Å; L1054-Y1059 VanDerWaalsContact O-CE1 3.32Å; L1054-Y1059 WeakPolarHBondContact O-CE1 3.45Å
1055D84.5Confident86.8Confident87 Ų8765.6 Ų65.647%0.46533%0.329SS..  trans-61.4119.8-179.5-171.9-26.7000109.8K1057 E1058 Y1059D1055-K1057 PolarHBondContact O-N 3.04Å; D1055-K1057 WeakPolarHBondContact OD1-CB 3.19Å; D1055-K1057 PolarHBondContact OD1-N 3.08Å; D1055-E1058 HydrophobicContact CB-CG 4.48Å; D1055-E1058 PolarHBondContact O-N 3.29Å; D1055-Y1059 WeakPolarHBondContact O-CD1 3.38Å; D1055-Y1059 PolarHBondContact O-N 3.43Å
1056P86.8Confident86.8Confident70 Ų7065.9 Ų65.946%0.45533%0.331SS..Hα-helixtrans-50.3-31.5176.5-2836.3000114.1L1054 E1058 Y1059 L1060L1054-P1056 VanDerWaalsContact O-CD 3.27Å; L1054-P1056 WeakPolarHBondContact O-CD 3.41Å; P1056-E1058 PolarHBondContact O-N 3.41Å; P1056-Y1059 HydrophobicContact CB-CE1 4.15Å; P1056-Y1059 HydrophobicContact CG-CE1 4.2Å; P1056-L1060 HydrophobicContact CB-CD1 3.89Å; P1056-L1060 HydrophobicContact CB-CG 4.48Å; P1056-L1060 WeakPolarHBondContact O-CB 3.27Å; P1056-L1060 WeakPolarHBondContact O-CD1 3.11Å; P1056-L1060 WeakPolarHBondContact O-CG 3.03Å; P1056-L1060 PolarHBondContact O-N 2.77Å
1057K84.1Confident86.7Confident176 Ų17667.1 Ų67.177%0.76534%0.336SS*.Hα-helixtrans-68.5-33.5179.9-69.2-179.5178.41760113.1D1055 A1061D1055-K1057 PolarHBondContact O-N 3.04Å; D1055-K1057 WeakPolarHBondContact OD1-CB 3.19Å; D1055-K1057 PolarHBondContact OD1-N 3.08Å; K1057-A1061 VanDerWaalsContact O-CB 3.24Å; K1057-A1061 WeakPolarHBondContact O-CB 3.38Å
1058E81.5Confident86.7Confident139 Ų13966.5 Ų66.565%0.6533%0.333SS*.Hα-helixtrans-80.6-53.8-179.3-68.6-166.1157.700110.9D1055 P1056 E1062D1055-E1058 HydrophobicContact CB-CG 4.48Å; D1055-E1058 PolarHBondContact O-N 3.29Å; P1056-E1058 PolarHBondContact O-N 3.41Å; E1058-E1062 PolarHBondContact O-N 2.81Å
1059Y88.1Confident86.6Confident17 Ų1766.5 Ų66.57%0.06733%0.333CS..Hα-helixtrans-77.6-33.8-173.280-99.8000113A1049 Q1050 L1054 D1055 P1056 A1061 E1062 L1063A1049-Y1059 HydrophobicContact CB-CD1 3.81Å; A1049-Y1059 HydrophobicContact CB-CD2 3.49Å; A1049-Y1059 VanDerWaalsContact CB-CD2 3.49Å; A1049-Y1059 HydrophobicContact CB-CE1 4.08Å; A1049-Y1059 HydrophobicContact CB-CE2 3.83Å; A1049-Y1059 HydrophobicContact CB-CG 3.52Å; Q1050-Y1059 HydrophobicContact CG-CE2 4.49Å; Q1050-Y1059 WeakPolarHBondContact CG-OH 3.5Å; L1054-Y1059 HydrophobicContact CB-CD1 3.86Å; L1054-Y1059 HydrophobicContact CB-CE1 4.47Å; L1054-Y1059 VanDerWaalsContact O-CE1 3.32Å; L1054-Y1059 WeakPolarHBondContact O-CE1 3.45Å; D1055-Y1059 WeakPolarHBondContact O-CD1 3.38Å; D1055-Y1059 PolarHBondContact O-N 3.43Å; P1056-Y1059 HydrophobicContact CB-CE1 4.15Å; P1056-Y1059 HydrophobicContact CG-CE1 4.2Å; Y1059-A1061 VanDerWaalsContact C-N 3.35Å; Y1059-E1062 PolarHBondContact O-N 3.27Å; Y1059-L1063 HydrophobicContact CD2-CD1 3.75Å; Y1059-L1063 HydrophobicContact CE2-CD1 4.35Å; Y1059-L1063 WeakPolarHBondContact O-CB 3.33Å; Y1059-L1063 WeakPolarHBondContact O-CG 3.35Å; Y1059-L1063 PolarHBondContact O-N 2.94Å
1060L88.8Confident86.4Confident65 Ų6567.7 Ų67.734%0.3434%0.341SS..Hα-helixtrans-70.3-33.4176.6-64.4172.3000111.6P1056 N1064P1056-L1060 HydrophobicContact CB-CD1 3.89Å; P1056-L1060 HydrophobicContact CB-CG 4.48Å; P1056-L1060 WeakPolarHBondContact O-CB 3.27Å; P1056-L1060 WeakPolarHBondContact O-CD1 3.11Å; P1056-L1060 WeakPolarHBondContact O-CG 3.03Å; P1056-L1060 PolarHBondContact O-N 2.77Å; L1060-N1064 WeakPolarHBondContact O-CB 3.45Å; L1060-N1064 PolarHBondContact O-N 3.14Å; L1060-N1064 PolarHBondContact O-ND2 2.83Å
1061A87Confident86.2Confident59 Ų5968.5 Ų68.549%0.48835%0.349SS..Hα-helixtrans-62.4-46.9175.600000110.8K1057 Y1059 E1065K1057-A1061 VanDerWaalsContact O-CB 3.24Å; K1057-A1061 WeakPolarHBondContact O-CB 3.38Å; Y1059-A1061 VanDerWaalsContact C-N 3.35Å; A1061-E1065 PolarHBondContact O-N 3.11Å
1062E88.5Confident86Confident63 Ų6367.3 Ų67.329%0.29435%0.35SS..Hα-helixtrans-63.7-48.3177.3-171.1177-142.200111.8Y1033 E1058 Y1059 N1064 E1065 L1066Y1033-E1062 VanDerWaalsContact CE1-OE2 3.23Å; Y1033-E1062 WeakPolarHBondContact CE1-OE2 3.36Å; Y1033-E1062 PolarHBondContact OH-OE2 3Å; E1058-E1062 PolarHBondContact O-N 2.81Å; Y1059-E1062 PolarHBondContact O-N 3.27Å; E1062-N1064 PolarHBondContact O-N 3.15Å; E1062-E1065 PolarHBondContact O-N 2.77Å; E1062-L1066 HydrophobicContact CG-CD1 4.31Å; E1062-L1066 WeakPolarHBondContact O-CG 3.11Å; E1062-L1066 PolarHBondContact O-N 2.79Å
1063L88.8Confident86Confident3 Ų369.6 Ų69.62%0.01636%0.362CS..Hα-helixtrans-65.7-36.8179.5-68.8174.4000113.1L1037 L1042 A1045 T1046 Y1059 E1065 L1066 N1067L1037-L1063 HydrophobicContact CD1-CD2 4.16Å; L1042-L1063 HydrophobicContact CB-CD2 4.43Å; L1042-L1063 HydrophobicContact CD2-CD2 3.89Å; A1045-L1063 HydrophobicContact CB-CD2 4.43Å; T1046-L1063 HydrophobicContact CG2-CD1 4.33Å; T1046-L1063 VanDerWaalsContact OG1-CD1 3.3Å; T1046-L1063 WeakPolarHBondContact OG1-CD1 3.3Å; Y1059-L1063 HydrophobicContact CD2-CD1 3.75Å; Y1059-L1063 HydrophobicContact CE2-CD1 4.35Å; Y1059-L1063 WeakPolarHBondContact O-CB 3.33Å; Y1059-L1063 WeakPolarHBondContact O-CG 3.35Å; Y1059-L1063 PolarHBondContact O-N 2.94Å; L1063-E1065 VanDerWaalsContact C-N 3.35Å; L1063-L1066 PolarHBondContact O-N 2.78Å; L1063-N1067 WeakPolarHBondContact O-CB 3.26Å; L1063-N1067 PolarHBondContact O-N 3.17Å; L1063-N1067 PolarHBondContact O-ND2 2.78Å
1064N88.5Confident85.7Confident101 Ų10170.3 Ų70.354%0.5436%0.362SS..Hα-helixtrans-67.2-38.5175.7-74.1-26.4000111.2L1060 E1062 S1068L1060-N1064 WeakPolarHBondContact O-CB 3.45Å; L1060-N1064 PolarHBondContact O-N 3.14Å; L1060-N1064 PolarHBondContact O-ND2 2.83Å; E1062-N1064 PolarHBondContact O-N 3.15Å; N1064-S1068 WeakPolarHBondContact O-CB 3.31Å; N1064-S1068 PolarHBondContact O-N 3.18Å
1065E87.5Confident85.6Confident100 Ų10075.2 Ų75.247%0.46738%0.382SS..Hα-helixtrans-62.2-47.2173.4-167.4-171.5157.900110.7A1061 E1062 L1063 N1067 S1068 K1091A1061-E1065 PolarHBondContact O-N 3.11Å; E1062-E1065 PolarHBondContact O-N 2.77Å; L1063-E1065 VanDerWaalsContact C-N 3.35Å; E1065-N1067 PolarHBondContact O-N 2.72Å; E1065-S1068 PolarHBondContact O-N 3.1Å; E1065-S1068 PolarHBondContact O-OG 3.31Å; E1065-K1091 IonicContact OE1-NZ 2.74Å; E1065-K1091 PolarHBondContact OE1-NZ 2.79Å
1066L89.4Confident85.6Confident7 Ų772.3 Ų72.34%0.03737%0.365CS..Hα-helixtrans-63-42.2178.4-67.9172.8000112.2L1037 L1042 E1062 L1063 S1068 V1069 Q1088 K1091 I1092L1037-L1066 HydrophobicContact CD1-CD1 4.03Å; L1042-L1066 HydrophobicContact CD1-CB 4.22Å; L1042-L1066 HydrophobicContact CD2-CB 4.41Å; L1042-L1066 HydrophobicContact CD2-CD1 4.02Å; E1062-L1066 HydrophobicContact CG-CD1 4.31Å; E1062-L1066 WeakPolarHBondContact O-CG 3.11Å; E1062-L1066 PolarHBondContact O-N 2.79Å; L1063-L1066 PolarHBondContact O-N 2.78Å; L1066-S1068 VanDerWaalsContact C-N 3.29Å; L1066-S1068 PolarHBondContact O-N 3.27Å; L1066-V1069 WeakPolarHBondContact O-CB 3.49Å; L1066-V1069 PolarHBondContact O-N 3.32Å; L1066-Q1088 HydrophobicContact CB-CG 4.38Å; L1066-Q1088 HydrophobicContact CD2-CG 4.42Å; L1066-Q1088 PolarHBondContact O-NE2 3.12Å; L1066-K1091 HydrophobicContact CD2-CB 3.69Å; L1066-K1091 HydrophobicContact CD2-CD 4.5Å; L1066-I1092 HydrophobicContact CD1-CD1 4.41Å; L1066-I1092 HydrophobicContact CD1-CG1 3.76Å; L1066-I1092 HydrophobicContact CD2-CG1 3.86Å; L1066-I1092 HydrophobicContact CG-CG1 4.43Å
1067N87.2Confident85.4Confident55 Ų5574.4 Ų74.429%0.29437%0.368SS..Hα-helixtrans-66.1-29.4175.1-82.2-36000112.8L1042 L1063 E1065 V1069 T1070 N1071L1042-N1067 VanDerWaalsContact CD1-OD1 3.25Å; L1042-N1067 WeakPolarHBondContact CD1-OD1 3.47Å; L1063-N1067 WeakPolarHBondContact O-CB 3.26Å; L1063-N1067 PolarHBondContact O-N 3.17Å; L1063-N1067 PolarHBondContact O-ND2 2.78Å; E1065-N1067 PolarHBondContact O-N 2.72Å; N1067-V1069 PolarHBondContact O-N 2.71Å; N1067-T1070 PolarHBondContact O-N 3.45Å; N1067-T1070 PolarHBondContact O-OG1 2.82Å; N1067-N1071 PolarHBondContact O-N 2.88Å; N1067-N1071 PolarHBondContact O-ND2 2.81Å; N1067-N1071 VanDerWaalsContact O-ND2 3.09Å
1068S86.5Confident85.3Confident27 Ų2766.3 Ų66.319%0.18933%0.334CS..Hα-helixtrans-67.1-22.8178.574.70000113N1064 E1065 L1066 N1071 D1072 Y1076N1064-S1068 WeakPolarHBondContact O-CB 3.31Å; N1064-S1068 PolarHBondContact O-N 3.18Å; E1065-S1068 PolarHBondContact O-N 3.1Å; E1065-S1068 PolarHBondContact O-OG 3.31Å; L1066-S1068 VanDerWaalsContact C-N 3.29Å; L1066-S1068 PolarHBondContact O-N 3.27Å; S1068-N1071 PolarHBondContact O-N 3.02Å; S1068-D1072 PolarHBondContact O-N 2.84Å; S1068-Y1076 WeakPolarHBondContact O-CE2 3.45Å; S1068-Y1076 WeakPolarHBondContact OG-CE2 3.4Å; S1068-Y1076 PolarHBondContact OG-OH 2.89Å
1069V85.7Confident85.2Confident0 Ų064.7 Ų64.70%033%0.33CS..Hα-helixtrans-63.4-45.3177179.80000111.5L1066 N1067 Y1076 A1084 Y1087 Q1088 K1091L1066-V1069 WeakPolarHBondContact O-CB 3.49Å; L1066-V1069 PolarHBondContact O-N 3.32Å; N1067-V1069 PolarHBondContact O-N 2.71Å; V1069-Y1076 HydrophobicContact CB-CD2 4.4Å; V1069-Y1076 HydrophobicContact CG1-CG 4.49Å; V1069-Y1076 HydrophobicContact CG2-CD1 4.31Å; V1069-Y1076 HydrophobicContact CG2-CD2 4.34Å; V1069-Y1076 HydrophobicContact CG2-CE1 4.24Å; V1069-Y1076 HydrophobicContact CG2-CE2 4.27Å; V1069-Y1076 HydrophobicContact CG2-CG 4.36Å; V1069-A1084 VanDerWaalsContact CG1-O 3.32Å; V1069-A1084 WeakPolarHBondContact CG1-O 3.37Å; V1069-Y1087 HydrophobicContact CG1-CD1 3.8Å; V1069-Y1087 HydrophobicContact CG1-CG 4.49Å; V1069-Y1087 HydrophobicContact CG2-CD1 4.45Å; V1069-Q1088 HydrophobicContact CB-CB 4.33Å; V1069-Q1088 HydrophobicContact CG1-CB 4.17Å; V1069-K1091 HydrophobicContact CG2-CD 4.22Å
1070T84.3Confident85.1Confident25 Ų2566.9 Ų66.915%0.15335%0.345CS..Hα-helixtrans-82.2-22.3-179.548.50000113N1067 M1081 A1084 I1085N1067-T1070 PolarHBondContact O-N 3.45Å; N1067-T1070 PolarHBondContact O-OG1 2.82Å; T1070-M1081 HydrophobicContact CG2-SD 4.34Å; T1070-A1084 HydrophobicContact CG2-CB 4.48Å; T1070-I1085 HydrophobicContact CG2-CG1 4.23Å
1071N83Confident84.9Confident132 Ų13268.8 Ų68.871%0.70635%0.353SS*.Hα-helixtrans-87.2-30.3-179.8-70.6-32.1000114N1067 S1068N1067-N1071 PolarHBondContact O-N 2.88Å; N1067-N1071 PolarHBondContact O-ND2 2.81Å; N1067-N1071 VanDerWaalsContact O-ND2 3.09Å; S1068-N1071 PolarHBondContact O-N 3.02Å
1072D83.2Confident84.8Confident76 Ų7673.5 Ų73.541%0.40637%0.366SS..  trans-124.870.9-177.6-165.4-10.3000111.5S1068 K1074 K1075 Y1076S1068-D1072 PolarHBondContact O-N 2.84Å; D1072-K1074 PolarHBondContact O-N 3.21Å; D1072-K1074 VanDerWaalsContact O-N 3.15Å; D1072-K1075 HydrophobicContact CB-CB 4.03Å; D1072-K1075 VanDerWaalsContact CG-CB 3.41Å; D1072-K1075 WeakPolarHBondContact O-CB 3.27Å; D1072-K1075 PolarHBondContact O-N 2.86Å; D1072-K1075 VanDerWaalsContact O-N 3.07Å; D1072-K1075 PolarHBondContact OD1-N 2.79Å; D1072-K1075 WeakPolarHBondContact OD2-CB 2.88Å; D1072-Y1076 WeakPolarHBondContact O-CD2 3.36Å; D1072-Y1076 PolarHBondContact O-N 2.86Å
1073L82.4Confident84.7Confident58 Ų5872.1 Ų72.130%0.30436%0.359SS..THydrogen-bonded Turntrans-49.9-39.2180-66.5167000112.7Y1076 Q1077 C1078 A1084L1073-Y1076 CarbonylContact O-C 3.56Å; L1073-Y1076 PolarHBondContact O-N 2.82Å; L1073-Q1077 PolarHBondContact O-N 3.49Å; L1073-C1078 HydrophobicContact CD2-CB 4Å; L1073-C1078 PolarHBondContact O-N 3.43Å; L1073-A1084 HydrophobicContact CD2-CB 3.4Å; L1073-A1084 VanDerWaalsContact CD2-CB 3.4Å
1074K78.7Confident84.6Confident192 Ų19272 Ų7284%0.83536%0.358SS*.THydrogen-bonded Turntrans-67.7-41.4-178.8-73.9-173.9-179.8177.30112.1D1072 Y1076 Q1077D1072-K1074 PolarHBondContact O-N 3.21Å; D1072-K1074 VanDerWaalsContact O-N 3.15Å; K1074-Y1076 VanDerWaalsContact C-N 3.26Å; K1074-Y1076 PolarHBondContact O-N 3.48Å; K1074-Q1077 PolarHBondContact O-N 2.64Å
1075K84.1Confident84.7Confident127 Ų12770.5 Ų70.555%0.55235%0.349SS*.THydrogen-bonded Turntrans-60.9-38.2178.8-180-177175.1-159.10111.9D1072D1072-K1075 HydrophobicContact CB-CB 4.03Å; D1072-K1075 VanDerWaalsContact CG-CB 3.41Å; D1072-K1075 WeakPolarHBondContact O-CB 3.27Å; D1072-K1075 PolarHBondContact O-N 2.86Å; D1072-K1075 VanDerWaalsContact O-N 3.07Å; D1072-K1075 PolarHBondContact OD1-N 2.79Å; D1072-K1075 WeakPolarHBondContact OD2-CB 2.88Å
1076Y82.7Confident84.9Confident27 Ų2766 Ų6611%0.10633%0.33CS..THydrogen-bonded Turntrans-99.615.1-178-63.9-79.7000113.7S1068 V1069 D1072 L1073 K1074 C1078 Y1087 H1113S1068-Y1076 WeakPolarHBondContact O-CE2 3.45Å; S1068-Y1076 WeakPolarHBondContact OG-CE2 3.4Å; S1068-Y1076 PolarHBondContact OG-OH 2.89Å; V1069-Y1076 HydrophobicContact CB-CD2 4.4Å; V1069-Y1076 HydrophobicContact CG1-CG 4.49Å; V1069-Y1076 HydrophobicContact CG2-CD1 4.31Å; V1069-Y1076 HydrophobicContact CG2-CD2 4.34Å; V1069-Y1076 HydrophobicContact CG2-CE1 4.24Å; V1069-Y1076 HydrophobicContact CG2-CE2 4.27Å; V1069-Y1076 HydrophobicContact CG2-CG 4.36Å; D1072-Y1076 WeakPolarHBondContact O-CD2 3.36Å; D1072-Y1076 PolarHBondContact O-N 2.86Å; L1073-Y1076 CarbonylContact O-C 3.56Å; L1073-Y1076 PolarHBondContact O-N 2.82Å; K1074-Y1076 VanDerWaalsContact C-N 3.26Å; K1074-Y1076 PolarHBondContact O-N 3.48Å; Y1076-C1078 PolarHBondContact O-N 3.12Å; Y1076-C1078 VanDerWaalsContact O-N 3.12Å; Y1076-C1078 PolarHBondContact O-SG 3.41Å; Y1076-Y1087 HydrophobicContact CD1-CD1 4.47Å; Y1076-Y1087 AromaticContact CD1-CE1 3.95Å; Y1076-Y1087 HydrophobicContact CD1-CE1 3.95Å; Y1076-H1113 PolarHBondContact O-CE1 2.89Å; Y1076-H1113 VanDerWaalsContact O-CE1 3.24Å; Y1076-H1113 PolarHBondContact O-NE2 3.14Å
1077Q83.2Confident84.9Confident113 Ų11366.6 Ų66.653%0.52833%0.332SS..THydrogen-bonded Turntrans56.529.5173.5-51.4-179.917.900114.8L1073 K1074 K1112L1073-Q1077 PolarHBondContact O-N 3.49Å; K1074-Q1077 PolarHBondContact O-N 2.64Å; Q1077-K1112 HydrophobicContact CB-CB 4.2Å; Q1077-K1112 HydrophobicContact CB-CD 4.38Å; Q1077-K1112 WeakPolarHBondContact O-CB 3.27Å; Q1077-K1112 WeakPolarHBondContact O-CD 3.43Å
1078C82.5Confident85.2Confident6 Ų664.8 Ų64.84%0.04132%0.321CS..  trans-95.8135.5173.5-59.60000109.9L1073 Y1076 E1083 A1084L1073-C1078 HydrophobicContact CD2-CB 4Å; L1073-C1078 PolarHBondContact O-N 3.43Å; Y1076-C1078 PolarHBondContact O-N 3.12Å; Y1076-C1078 VanDerWaalsContact O-N 3.12Å; Y1076-C1078 PolarHBondContact O-SG 3.41Å; C1078-E1083 HydrophobicContact CB-CB 4.16Å; C1078-A1084 HydrophobicContact CB-CB 3.95Å
1079D79.4Confident85.5Confident105 Ų10565.7 Ų65.756%0.56132%0.323SS*.SBendtrans-94.2-28.4176.2-71.6-36.4000111.9E1083 K1112D1079-E1083 PolarHBondContact N-OE2 2.88Å; D1079-K1112 IonicContact OD1-NZ 2.64Å; D1079-K1112 PolarHBondContact OD1-NZ 3.25Å; D1079-K1112 WeakPolarHBondContact OD2-CE 3.33Å; D1079-K1112 IonicContact OD2-NZ 2.77Å; D1079-K1112 PolarHBondContact OD2-NZ 2.93Å
1080T85.1Confident85.9Confident63 Ų6366 Ų6639%0.38732%0.324SS..SBendtrans-119.1157.6179.4670000112.2E1082 E1083 A1084T1080-E1082 VanDerWaalsContact C-N 3.25Å; T1080-E1082 PolarHBondContact O-N 2.81Å; T1080-E1083 PolarHBondContact N-OE2 2.96Å; T1080-E1083 VanDerWaalsContact N-OE2 3.14Å; T1080-E1083 PolarHBondContact O-N 3.39Å; T1080-E1083 WeakPolarHBondContact OG1-CB 3.29Å; T1080-E1083 VanDerWaalsContact OG1-CG 3.25Å; T1080-E1083 WeakPolarHBondContact OG1-CG 3.43Å; T1080-E1083 PolarHBondContact OG1-N 3.19Å; T1080-A1084 PolarHBondContact O-N 2.92Å
1081M85Confident86.3Confident105 Ų10566.8 Ų66.852%0.51733%0.325SS..Hα-helixtrans-64.7-32.6174.1-172.761.111600111.7T1070 A1084 I1085T1070-M1081 HydrophobicContact CG2-SD 4.34Å; M1081-A1084 PolarHBondContact O-N 3.37Å; M1081-I1085 HydrophobicContact CG-CD1 4.03Å; M1081-I1085 HydrophobicContact CG-CG1 4.44Å; M1081-I1085 VanDerWaalsContact O-CG1 3.28Å; M1081-I1085 WeakPolarHBondContact O-CG1 3.44Å; M1081-I1085 PolarHBondContact O-N 3.19Å
1082E85.6Confident86.8Confident159 Ų15960.5 Ų60.574%0.74329%0.292SS*.Hα-helixtrans-64.3-45.5177.1-67.3177176.600111.5T1080 A1084 I1085 A1086T1080-E1082 VanDerWaalsContact C-N 3.25Å; T1080-E1082 PolarHBondContact O-N 2.81Å; E1082-A1084 VanDerWaalsContact C-N 3.27Å; E1082-A1084 PolarHBondContact O-N 2.88Å; E1082-I1085 PolarHBondContact O-N 2.82Å; E1082-A1086 WeakPolarHBondContact O-CB 3.45Å; E1082-A1086 PolarHBondContact O-N 2.94Å
1083E86Confident87.2Confident34 Ų3456.9 Ų56.916%0.15927%0.272CS..Hα-helixtrans-59.8-38.7173.6-74.8171.4164.600111.8C1078 D1079 T1080 A1086 Y1087C1078-E1083 HydrophobicContact CB-CB 4.16Å; D1079-E1083 PolarHBondContact N-OE2 2.88Å; T1080-E1083 PolarHBondContact N-OE2 2.96Å; T1080-E1083 VanDerWaalsContact N-OE2 3.14Å; T1080-E1083 PolarHBondContact O-N 3.39Å; T1080-E1083 WeakPolarHBondContact OG1-CB 3.29Å; T1080-E1083 VanDerWaalsContact OG1-CG 3.25Å; T1080-E1083 WeakPolarHBondContact OG1-CG 3.43Å; T1080-E1083 PolarHBondContact OG1-N 3.19Å; E1083-A1086 PolarHBondContact O-N 2.88Å; E1083-Y1087 WeakPolarHBondContact O-CB 3.48Å; E1083-Y1087 PolarHBondContact O-N 3.1Å
1084A87.4Confident87.7Confident0 Ų057.5 Ų57.50%027%0.274CS..Hα-helixtrans-69.8-39.4178.300000112.8V1069 T1070 L1073 C1078 T1080 M1081 E1082 Y1087 Q1088V1069-A1084 VanDerWaalsContact CG1-O 3.32Å; V1069-A1084 WeakPolarHBondContact CG1-O 3.37Å; T1070-A1084 HydrophobicContact CG2-CB 4.48Å; L1073-A1084 HydrophobicContact CD2-CB 3.4Å; L1073-A1084 VanDerWaalsContact CD2-CB 3.4Å; C1078-A1084 HydrophobicContact CB-CB 3.95Å; T1080-A1084 PolarHBondContact O-N 2.92Å; M1081-A1084 PolarHBondContact O-N 3.37Å; E1082-A1084 VanDerWaalsContact C-N 3.27Å; E1082-A1084 PolarHBondContact O-N 2.88Å; A1084-Y1087 PolarHBondContact O-N 2.86Å; A1084-Q1088 WeakPolarHBondContact O-CB 3.45Å; A1084-Q1088 PolarHBondContact O-N 2.98Å
1085I90.3Very high88.2Confident69 Ų6950.4 Ų50.435%0.35425%0.248SC..Hα-helixtrans-64.1-45.3173.4-69.3165.2000110T1070 M1081 E1082 Y1087 Q1088 Q1089T1070-I1085 HydrophobicContact CG2-CG1 4.23Å; M1081-I1085 HydrophobicContact CG-CD1 4.03Å; M1081-I1085 HydrophobicContact CG-CG1 4.44Å; M1081-I1085 VanDerWaalsContact O-CG1 3.28Å; M1081-I1085 WeakPolarHBondContact O-CG1 3.44Å; M1081-I1085 PolarHBondContact O-N 3.19Å; E1082-I1085 PolarHBondContact O-N 2.82Å; I1085-Y1087 VanDerWaalsContact C-N 3.34Å; I1085-Y1087 PolarHBondContact O-N 2.86Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.43Å; I1085-Q1088 PolarHBondContact O-N 2.93Å; I1085-Q1089 WeakPolarHBondContact O-CG 3.38Å; I1085-Q1089 PolarHBondContact O-N 3.16Å
1086A90.4Very high88.4Confident7 Ų745.8 Ų45.86%0.05823%0.229CC..Hα-helixtrans-60-45.2175.600000111.1E1082 E1083 Q1088 Q1089 F1090 H1105 D1108E1082-A1086 WeakPolarHBondContact O-CB 3.45Å; E1082-A1086 PolarHBondContact O-N 2.94Å; E1083-A1086 PolarHBondContact O-N 2.88Å; A1086-Q1088 VanDerWaalsContact C-N 3.32Å; A1086-Q1088 PolarHBondContact O-N 3.42Å; A1086-Q1089 PolarHBondContact O-N 2.89Å; A1086-F1090 PolarHBondContact O-N 3.18Å; A1086-H1105 WeakPolarHBondContact O-CB 3.48Å; A1086-D1108 HydrophobicContact CB-CB 3.76Å
1087Y91.3Very high88.7Confident18 Ų1851.6 Ų51.67%0.07126%0.255CS..Hα-helixtrans-63.7-35.9176.5-162.9-104.6000112.9V1069 Y1076 E1083 A1084 I1085 F1090 K1091 L1106 H1113 E1116V1069-Y1087 HydrophobicContact CG1-CD1 3.8Å; V1069-Y1087 HydrophobicContact CG1-CG 4.49Å; V1069-Y1087 HydrophobicContact CG2-CD1 4.45Å; Y1076-Y1087 HydrophobicContact CD1-CD1 4.47Å; Y1076-Y1087 AromaticContact CD1-CE1 3.95Å; Y1076-Y1087 HydrophobicContact CD1-CE1 3.95Å; E1083-Y1087 WeakPolarHBondContact O-CB 3.48Å; E1083-Y1087 PolarHBondContact O-N 3.1Å; A1084-Y1087 PolarHBondContact O-N 2.86Å; I1085-Y1087 VanDerWaalsContact C-N 3.34Å; I1085-Y1087 PolarHBondContact O-N 2.86Å; Y1087-F1090 HydrophobicContact CD2-CD1 4.02Å; Y1087-F1090 AromaticContact CE2-CD1 3.86Å; Y1087-F1090 HydrophobicContact CE2-CD1 3.86Å; Y1087-F1090 HydrophobicContact CE2-CE1 4.03Å; Y1087-F1090 WeakPolarHBondContact O-CB 3.35Å; Y1087-F1090 PolarHBondContact O-N 3.23Å; Y1087-K1091 HydrophobicContact CE1-CD 4.4Å; Y1087-K1091 HydrophobicContact CE1-CG 4.46Å; Y1087-K1091 PolarHBondContact O-N 2.95Å; Y1087-L1106 HydrophobicContact CD2-CD1 4.04Å; Y1087-L1106 HydrophobicContact CE2-CD1 3.82Å; Y1087-H1113 AromaticContact CD2-CD2 3.83Å; Y1087-H1113 AromaticContact CD2-CE1 3.86Å; Y1087-H1113 AromaticContact CD2-NE2 3.71Å; Y1087-H1113 AromaticContact CE2-CD2 3.39Å; Y1087-H1113 WeakPolarHBondContact CE2-CD2 3.37Å; Y1087-H1113 AromaticContact CE2-CG 3.97Å; Y1087-H1113 AromaticContact CE2-NE2 3.54Å; Y1087-H1113 AromaticContact CZ-NE2 3.93Å; Y1087-E1116 WeakPolarHBondContact CE2-OE2 3.29Å; Y1087-E1116 PolarHBondContact OH-OE1 3.14Å; Y1087-E1116 PolarHBondContact OH-OE2 3.5Å
1088Q93.2Very high88.9Confident17 Ų1749.5 Ų49.58%0.07924%0.244CC..Hα-helixtrans-63.4-45.3172.9-176.8-175.175.800111.4L1066 V1069 A1084 I1085 A1086 F1090 K1091 I1092L1066-Q1088 HydrophobicContact CB-CG 4.38Å; L1066-Q1088 HydrophobicContact CD2-CG 4.42Å; L1066-Q1088 PolarHBondContact O-NE2 3.12Å; V1069-Q1088 HydrophobicContact CB-CB 4.33Å; V1069-Q1088 HydrophobicContact CG1-CB 4.17Å; A1084-Q1088 WeakPolarHBondContact O-CB 3.45Å; A1084-Q1088 PolarHBondContact O-N 2.98Å; I1085-Q1088 WeakPolarHBondContact O-CB 3.43Å; I1085-Q1088 PolarHBondContact O-N 2.93Å; A1086-Q1088 VanDerWaalsContact C-N 3.32Å; A1086-Q1088 PolarHBondContact O-N 3.42Å; Q1088-F1090 VanDerWaalsContact C-N 3.33Å; Q1088-F1090 PolarHBondContact O-N 2.93Å; Q1088-K1091 PolarHBondContact O-N 2.91Å; Q1088-I1092 HydrophobicContact CG-CD1 4.22Å; Q1088-I1092 WeakPolarHBondContact O-CG1 3.49Å; Q1088-I1092 PolarHBondContact O-N 3.06Å
1089Q93Very high89.3Confident46 Ų4652.8 Ų52.822%0.21526%0.256CS..Hα-helixtrans-63-38.8176-69.8173.9-7.700111.9Y1040 I1085 A1086 K1091 I1092 D1093 H1105Y1040-Q1089 HydrophobicContact CD1-CB 4.24Å; Y1040-Q1089 HydrophobicContact CD1-CG 3.8Å; Y1040-Q1089 HydrophobicContact CE1-CB 4.19Å; Y1040-Q1089 HydrophobicContact CE1-CG 4.17Å; Y1040-Q1089 HydrophobicContact CG-CG 4.17Å; I1085-Q1089 WeakPolarHBondContact O-CG 3.38Å; I1085-Q1089 PolarHBondContact O-N 3.16Å; A1086-Q1089 PolarHBondContact O-N 2.89Å; Q1089-K1091 PolarHBondContact O-N 3.11Å; Q1089-I1092 PolarHBondContact O-N 3.48Å; Q1089-D1093 PolarHBondContact O-N 2.83Å; Q1089-H1105 HydrophobicContact CB-CB 4.16Å; Q1089-H1105 PolarHBondContact OE1-CE1 2.79Å; Q1089-H1105 PolarHBondContact OE1-ND1 2.77Å; Q1089-H1105 VanDerWaalsContact OE1-ND1 3.09Å
1090F93.6Very high89.7Confident7 Ų750.5 Ų50.53%0.03125%0.248CC..Hα-helixtrans-56-50.5171.5156.8-110.4000111.5A1086 Y1087 Q1088 I1092 D1093 H1094 A1102 H1105 L1106 Y1120A1086-F1090 PolarHBondContact O-N 3.18Å; Y1087-F1090 HydrophobicContact CD2-CD1 4.02Å; Y1087-F1090 AromaticContact CE2-CD1 3.86Å; Y1087-F1090 HydrophobicContact CE2-CD1 3.86Å; Y1087-F1090 HydrophobicContact CE2-CE1 4.03Å; Y1087-F1090 WeakPolarHBondContact O-CB 3.35Å; Y1087-F1090 PolarHBondContact O-N 3.23Å; Q1088-F1090 VanDerWaalsContact C-N 3.33Å; Q1088-F1090 PolarHBondContact O-N 2.93Å; F1090-I1092 VanDerWaalsContact C-N 3.33Å; F1090-I1092 PolarHBondContact O-N 2.76Å; F1090-D1093 PolarHBondContact O-N 2.63Å; F1090-H1094 VanDerWaalsContact O-CB 3.24Å; F1090-H1094 WeakPolarHBondContact O-CB 3.25Å; F1090-H1094 PolarHBondContact O-N 2.71Å; F1090-A1102 HydrophobicContact CD2-CB 3.92Å; F1090-A1102 VanDerWaalsContact CD2-O 3.29Å; F1090-A1102 WeakPolarHBondContact CD2-O 3.06Å; F1090-A1102 HydrophobicContact CE2-CB 4.41Å; F1090-H1105 HydrophobicContact CB-CB 3.86Å; F1090-L1106 HydrophobicContact CB-CB 4.41Å; F1090-L1106 HydrophobicContact CD1-CD1 3.85Å; F1090-L1106 HydrophobicContact CD2-CB 3.76Å; F1090-L1106 HydrophobicContact CD2-CD1 4.29Å; F1090-L1106 HydrophobicContact CD2-CD2 4.3Å; F1090-L1106 HydrophobicContact CD2-CG 4.34Å; F1090-L1106 HydrophobicContact CE1-CD1 3.87Å; F1090-L1106 HydrophobicContact CE2-CB 4.14Å; F1090-L1106 HydrophobicContact CE2-CD1 4.3Å; F1090-L1106 HydrophobicContact CE2-CD2 3.82Å; F1090-L1106 HydrophobicContact CE2-CG 4.32Å; F1090-L1106 HydrophobicContact CG-CB 4.03Å; F1090-L1106 HydrophobicContact CG-CD1 4.06Å; F1090-L1106 HydrophobicContact CZ-CD1 4.09Å; F1090-L1106 HydrophobicContact CZ-CD2 3.97Å; F1090-Y1120 HydrophobicContact CE2-CD1 4.33Å; F1090-Y1120 HydrophobicContact CE2-CD2 4.02Å; F1090-Y1120 AromaticContact CE2-CE1 3.98Å; F1090-Y1120 HydrophobicContact CE2-CE1 3.98Å; F1090-Y1120 AromaticContact CE2-CE2 3.65Å; F1090-Y1120 HydrophobicContact CE2-CE2 3.65Å; F1090-Y1120 HydrophobicContact CE2-CG 4.34Å; F1090-Y1120 AromaticContact CE2-CZ 3.63Å; F1090-Y1120 HydrophobicContact CZ-CD2 4.04Å; F1090-Y1120 AromaticContact CZ-CE2 3.87Å; F1090-Y1120 HydrophobicContact CZ-CE2 3.87Å
1091K92.1Very high89.9Confident41 Ų4152.2 Ų52.218%0.17825%0.25CS..Hα-helixtrans-61.2-41.1177.9-78.6-163.4167-1660112.3E1065 L1066 V1069 Y1087 Q1088 Q1089 H1094 S1095E1065-K1091 IonicContact OE1-NZ 2.74Å; E1065-K1091 PolarHBondContact OE1-NZ 2.79Å; L1066-K1091 HydrophobicContact CD2-CB 3.69Å; L1066-K1091 HydrophobicContact CD2-CD 4.5Å; V1069-K1091 HydrophobicContact CG2-CD 4.22Å; Y1087-K1091 HydrophobicContact CE1-CD 4.4Å; Y1087-K1091 HydrophobicContact CE1-CG 4.46Å; Y1087-K1091 PolarHBondContact O-N 2.95Å; Q1088-K1091 PolarHBondContact O-N 2.91Å; Q1089-K1091 PolarHBondContact O-N 3.11Å; K1091-H1094 PolarHBondContact O-N 2.89Å; K1091-S1095 PolarHBondContact O-N 2.69Å
1092I93.2Very high90.2Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-59.9-57175.4-70.9167.1000110.2L1037 Y1040 L1042 L1066 Q1088 Q1089 F1090 H1094 S1095 L1096L1037-I1092 HydrophobicContact CD2-CG2 4.18Å; L1037-I1092 HydrophobicContact CG-CG1 4.39Å; L1037-I1092 HydrophobicContact CG-CG2 3.88Å; L1037-I1092 WeakPolarHBondContact O-CG2 3.22Å; Y1040-I1092 HydrophobicContact CD1-CD1 4.21Å; Y1040-I1092 HydrophobicContact CD1-CG2 4.11Å; Y1040-I1092 HydrophobicContact CE1-CG2 4.18Å; L1042-I1092 HydrophobicContact CD2-CD1 4.1Å; L1066-I1092 HydrophobicContact CD1-CD1 4.41Å; L1066-I1092 HydrophobicContact CD1-CG1 3.76Å; L1066-I1092 HydrophobicContact CD2-CG1 3.86Å; L1066-I1092 HydrophobicContact CG-CG1 4.43Å; Q1088-I1092 HydrophobicContact CG-CD1 4.22Å; Q1088-I1092 WeakPolarHBondContact O-CG1 3.49Å; Q1088-I1092 PolarHBondContact O-N 3.06Å; Q1089-I1092 PolarHBondContact O-N 3.48Å; F1090-I1092 VanDerWaalsContact C-N 3.33Å; F1090-I1092 PolarHBondContact O-N 2.76Å; I1092-H1094 VanDerWaalsContact C-N 3.25Å; I1092-H1094 PolarHBondContact O-N 2.98Å; I1092-S1095 WeakPolarHBondContact O-CB 3.34Å; I1092-S1095 PolarHBondContact O-N 2.83Å; I1092-S1095 PolarHBondContact O-OG 2.83Å; I1092-L1096 HydrophobicContact CG2-CD1 3.83Å; I1092-L1096 HydrophobicContact CG2-CG 4.41Å; I1092-L1096 WeakPolarHBondContact O-CG 3.27Å; I1092-L1096 PolarHBondContact O-N 2.86Å
1093D92.7Very high90.5Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-66.6-28.7-176.5-82.9-35.3000112.8Y1040 Q1089 F1090 L1096 K1097 K1098 K1101 A1102 H1105Y1040-D1093 PolarHBondContact OH-OD1 2.97Å; Y1040-D1093 PolarHBondContact OH-OD2 3.36Å; Q1089-D1093 PolarHBondContact O-N 2.83Å; F1090-D1093 PolarHBondContact O-N 2.63Å; D1093-L1096 CarbonylContact O-C 3.57Å; D1093-L1096 PolarHBondContact O-N 2.85Å; D1093-K1097 PolarHBondContact O-N 3.45Å; D1093-K1097 VanDerWaalsContact O-N 3.13Å; D1093-K1098 HydrophobicContact CB-CB 4.1Å; D1093-K1098 PolarHBondContact O-N 3.38Å; D1093-K1098 WeakPolarHBondContact OD1-CD 3.48Å; D1093-K1101 HydrophobicContact CB-CB 4.43Å; D1093-K1101 WeakPolarHBondContact OD2-CB 3.27Å; D1093-A1102 HydrophobicContact CB-CB 3.76Å; D1093-H1105 IonicContact OD2-CD2 3.25Å; D1093-H1105 PolarHBondContact OD2-CD2 3.3Å; D1093-H1105 VanDerWaalsContact OD2-CD2 3.31Å; D1093-H1105 IonicContact OD2-NE2 3.96Å; D1093-H1105 PolarHBondContact OD2-NE2 3Å
1094H92.2Very high90.7Very high72 Ų7241.2 Ų41.233%0.33320%0.199SC..Hα-helixtrans-60.7-50.1168.9178.180.3000111.6F1090 K1091 I1092 L1096 K1097 Y1120 Y1124F1090-H1094 VanDerWaalsContact O-CB 3.24Å; F1090-H1094 WeakPolarHBondContact O-CB 3.25Å; F1090-H1094 PolarHBondContact O-N 2.71Å; K1091-H1094 PolarHBondContact O-N 2.89Å; I1092-H1094 VanDerWaalsContact C-N 3.25Å; I1092-H1094 PolarHBondContact O-N 2.98Å; H1094-L1096 PolarHBondContact O-N 2.98Å; H1094-K1097 PolarHBondContact O-N 3.23Å; H1094-Y1120 AromaticContact CE1-CE2 3.89Å; H1094-Y1120 AromaticContact ND1-CE2 3.42Å; H1094-Y1120 WeakPolarHBondContact ND1-CE2 3.43Å; H1094-Y1120 AromaticContact ND1-CZ 3.61Å; H1094-Y1120 PolarHBondContact ND1-OH 3.45Å; H1094-Y1124 AromaticContact CE1-CZ 3.99Å; H1094-Y1124 PolarHBondContact CE1-OH 3.26Å; H1094-Y1124 VanDerWaalsContact CE1-OH 3.26Å
1095S88.8Confident90.9Very high42 Ų4242.6 Ų42.629%0.29421%0.206SC..Hα-helixtrans-59.8-36.1177.378.40000112.2K1091 I1092 K1097K1091-S1095 PolarHBondContact O-N 2.69Å; I1092-S1095 WeakPolarHBondContact O-CB 3.34Å; I1092-S1095 PolarHBondContact O-N 2.83Å; I1092-S1095 PolarHBondContact O-OG 2.83Å; S1095-K1097 PolarHBondContact O-N 3.22Å
1096L89Confident90.9Very high30 Ų3039.3 Ų39.316%0.15719%0.189CC..THydrogen-bonded Turntrans-79.3-0.1177.2-61.8178.3000113.5K1034 L1037 I1092 D1093 H1094 K1098K1034-L1096 HydrophobicContact CB-CD2 3.66Å; K1034-L1096 HydrophobicContact CG-CD2 3.86Å; K1034-L1096 WeakPolarHBondContact O-CD2 3.27Å; L1037-L1096 HydrophobicContact CD2-CD2 4.3Å; L1037-L1096 HydrophobicContact CD2-CG 4.5Å; I1092-L1096 HydrophobicContact CG2-CD1 3.83Å; I1092-L1096 HydrophobicContact CG2-CG 4.41Å; I1092-L1096 WeakPolarHBondContact O-CG 3.27Å; I1092-L1096 PolarHBondContact O-N 2.86Å; D1093-L1096 CarbonylContact O-C 3.57Å; D1093-L1096 PolarHBondContact O-N 2.85Å; H1094-L1096 PolarHBondContact O-N 2.98Å; L1096-K1098 HydrophobicContact CB-CD 4.36Å; L1096-K1098 HydrophobicContact CB-CG 4.18Å; L1096-K1098 PolarHBondContact O-N 2.79Å
1097K88.5Confident90.8Very high150 Ų15040.7 Ų40.765%0.65220%0.195SC*.THydrogen-bonded Turntrans59.123-176-53-180180176.90113.7D1093 H1094 S1095 Y1099D1093-K1097 PolarHBondContact O-N 3.45Å; D1093-K1097 VanDerWaalsContact O-N 3.13Å; H1094-K1097 PolarHBondContact O-N 3.23Å; S1095-K1097 PolarHBondContact O-N 3.22Å; K1097-Y1099 HydrophobicContact CB-CE1 4.32Å; K1097-Y1099 HydrophobicContact CB-CE2 4.19Å; K1097-Y1099 PolarHBondContact O-N 2.96Å; K1097-Y1099 VanDerWaalsContact O-N 3.14Å
1098K87.7Confident90.6Very high69 Ų6944.6 Ų44.630%0.322%0.217SC..  trans-86.457.3173.4-66.1-178.7-179177.60109.8D1093 L1096 S1100 K1101 A1102D1093-K1098 HydrophobicContact CB-CB 4.1Å; D1093-K1098 PolarHBondContact O-N 3.38Å; D1093-K1098 WeakPolarHBondContact OD1-CD 3.48Å; L1096-K1098 HydrophobicContact CB-CD 4.36Å; L1096-K1098 HydrophobicContact CB-CG 4.18Å; L1096-K1098 PolarHBondContact O-N 2.79Å; K1098-S1100 PolarHBondContact O-N 2.88Å; K1098-S1100 VanDerWaalsContact O-N 3.09Å; K1098-K1101 HydrophobicContact CB-CB 4.5Å; K1098-K1101 PolarHBondContact O-N 3.47Å; K1098-A1102 PolarHBondContact O-N 3.19Å
1099Y91.7Very high90.2Very high75 Ų7543.8 Ų43.829%0.29421%0.214SC..Hα-helixtrans-56.5-33.2-169.5-51-58.2000114.2K1097 A1102 V1103 Y1124 L1126K1097-Y1099 HydrophobicContact CB-CE1 4.32Å; K1097-Y1099 HydrophobicContact CB-CE2 4.19Å; K1097-Y1099 PolarHBondContact O-N 2.96Å; K1097-Y1099 VanDerWaalsContact O-N 3.14Å; Y1099-A1102 PolarHBondContact O-N 3.15Å; Y1099-V1103 PolarHBondContact O-N 2.9Å; Y1099-V1103 VanDerWaalsContact O-N 3.09Å; Y1099-Y1124 AromaticContact CD1-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CD1-CD1 3.93Å; Y1099-Y1124 AromaticContact CD1-CE1 3.83Å; Y1099-Y1124 HydrophobicContact CD1-CE1 3.83Å; Y1099-Y1124 HydrophobicContact CD1-CG 4.39Å; Y1099-Y1124 HydrophobicContact CD2-CD1 4.02Å; Y1099-Y1124 HydrophobicContact CD2-CE1 4.39Å; Y1099-Y1124 HydrophobicContact CE1-CD1 4.01Å; Y1099-Y1124 AromaticContact CE1-CE1 3.48Å; Y1099-Y1124 HydrophobicContact CE1-CE1 3.48Å; Y1099-Y1124 VanDerWaalsContact CE1-CE1 3.48Å; Y1099-Y1124 AromaticContact CE1-CZ 3.91Å; Y1099-Y1124 HydrophobicContact CE2-CD1 4.09Å; Y1099-Y1124 HydrophobicContact CE2-CE1 4.08Å; Y1099-Y1124 AromaticContact CG-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CG-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CG-CE1 4.27Å; Y1099-Y1124 HydrophobicContact CG-CG 4.37Å; Y1099-Y1124 AromaticContact CZ-CE1 3.61Å; Y1099-L1126 WeakPolarHBondContact O-CD1 3.28Å
1100S88Confident89.7Confident56 Ų5642.5 Ų42.539%0.39221%0.212SC..Hα-helixtrans-66.6-35.2177.652.20000113.4K1098K1098-S1100 PolarHBondContact O-N 2.88Å; K1098-S1100 VanDerWaalsContact O-N 3.09Å
1101K87.8Confident89Confident99 Ų9947.1 Ų47.143%0.4324%0.243SC..Hα-helixtrans-78.9-41.9171.9-75-169.4173.7-170.80111D1093 K1098 V1103 L1104 H1105D1093-K1101 HydrophobicContact CB-CB 4.43Å; D1093-K1101 WeakPolarHBondContact OD2-CB 3.27Å; K1098-K1101 HydrophobicContact CB-CB 4.5Å; K1098-K1101 PolarHBondContact O-N 3.47Å; K1101-V1103 VanDerWaalsContact C-N 3.28Å; K1101-V1103 PolarHBondContact O-N 2.88Å; K1101-L1104 WeakPolarHBondContact O-CB 3.49Å; K1101-L1104 PolarHBondContact O-N 2.78Å; K1101-H1105 PolarHBondContact O-CD2 2.78Å; K1101-H1105 VanDerWaalsContact O-CD2 3.29Å; K1101-H1105 PolarHBondContact O-N 2.96Å
1102A92.1Very high88.6Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-53.5-44.6-179.600000112.1F1090 D1093 K1098 Y1099 L1104 H1105 L1106F1090-A1102 HydrophobicContact CD2-CB 3.92Å; F1090-A1102 VanDerWaalsContact CD2-O 3.29Å; F1090-A1102 WeakPolarHBondContact CD2-O 3.06Å; F1090-A1102 HydrophobicContact CE2-CB 4.41Å; D1093-A1102 HydrophobicContact CB-CB 3.76Å; K1098-A1102 PolarHBondContact O-N 3.19Å; Y1099-A1102 PolarHBondContact O-N 3.15Å; A1102-L1104 VanDerWaalsContact C-N 3.28Å; A1102-L1104 PolarHBondContact O-N 2.73Å; A1102-H1105 PolarHBondContact O-N 3.28Å; A1102-L1106 PolarHBondContact O-N 3.26Å
1103V90.9Very high88.3Confident0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-66.2-28.8-178.5770000113.4Y1099 K1101 L1106 I1107 L1117 Y1120 V1121 L1126 Q1129 V1130Y1099-V1103 PolarHBondContact O-N 2.9Å; Y1099-V1103 VanDerWaalsContact O-N 3.09Å; K1101-V1103 VanDerWaalsContact C-N 3.28Å; K1101-V1103 PolarHBondContact O-N 2.88Å; V1103-L1106 PolarHBondContact O-N 2.72Å; V1103-I1107 WeakPolarHBondContact O-CG1 3.45Å; V1103-I1107 PolarHBondContact O-N 2.87Å; V1103-I1107 VanDerWaalsContact O-N 3.09Å; V1103-L1117 HydrophobicContact CG2-CD1 3.92Å; V1103-Y1120 HydrophobicContact CB-CD1 4.4Å; V1103-Y1120 HydrophobicContact CB-CE1 4.39Å; V1103-Y1120 HydrophobicContact CG2-CD1 4.21Å; V1103-V1121 HydrophobicContact CG2-CG2 4.03Å; V1103-L1126 HydrophobicContact CB-CD1 3.72Å; V1103-L1126 HydrophobicContact CG1-CB 4.37Å; V1103-L1126 HydrophobicContact CG1-CD1 4.02Å; V1103-L1126 HydrophobicContact CG2-CB 4.5Å; V1103-L1126 HydrophobicContact CG2-CD1 4.09Å; V1103-Q1129 HydrophobicContact CG1-CB 4.41Å; V1103-V1130 HydrophobicContact CB-CG2 4.39Å; V1103-V1130 HydrophobicContact CG1-CG2 4.08Å; V1103-V1130 HydrophobicContact CG2-CG2 3.39Å
1104L90.7Very high87.8Confident67 Ų6753.5 Ų53.535%0.35127%0.271SS..Hα-helixtrans-66.2-47.7175.2-61.1174.8000110K1101 A1102 L1106 I1107 D1108 V1133K1101-L1104 WeakPolarHBondContact O-CB 3.49Å; K1101-L1104 PolarHBondContact O-N 2.78Å; A1102-L1104 VanDerWaalsContact C-N 3.28Å; A1102-L1104 PolarHBondContact O-N 2.73Å; L1104-L1106 PolarHBondContact O-N 3.28Å; L1104-I1107 WeakPolarHBondContact O-CB 3.33Å; L1104-I1107 PolarHBondContact O-N 3Å; L1104-D1108 PolarHBondContact O-N 2.74Å; L1104-D1108 VanDerWaalsContact O-N 3.09Å; L1104-V1133 HydrophobicContact CD2-CG2 3.74Å
1105H91.1Very high87.5Confident29 Ų2953.9 Ų53.913%0.13429%0.286CS..Hα-helixtrans-62.1-32.3175-63.2-52.6000112.9A1086 Q1089 F1090 D1093 K1101 A1102 D1108 S1109A1086-H1105 WeakPolarHBondContact O-CB 3.48Å; Q1089-H1105 HydrophobicContact CB-CB 4.16Å; Q1089-H1105 PolarHBondContact OE1-CE1 2.79Å; Q1089-H1105 PolarHBondContact OE1-ND1 2.77Å; Q1089-H1105 VanDerWaalsContact OE1-ND1 3.09Å; F1090-H1105 HydrophobicContact CB-CB 3.86Å; D1093-H1105 IonicContact OD2-CD2 3.25Å; D1093-H1105 PolarHBondContact OD2-CD2 3.3Å; D1093-H1105 VanDerWaalsContact OD2-CD2 3.31Å; D1093-H1105 IonicContact OD2-NE2 3.96Å; D1093-H1105 PolarHBondContact OD2-NE2 3Å; K1101-H1105 PolarHBondContact O-CD2 2.78Å; K1101-H1105 VanDerWaalsContact O-CD2 3.29Å; K1101-H1105 PolarHBondContact O-N 2.96Å; A1102-H1105 PolarHBondContact O-N 3.28Å; H1105-D1108 PolarHBondContact O-N 2.72Å; H1105-S1109 PolarHBondContact O-N 3.09Å; H1105-S1109 VanDerWaalsContact O-N 3.11Å
1106L90.5Very high87.5Confident1 Ų155 Ų551%0.00529%0.287CS..Hα-helixtrans-69.2-33.4174.6-170.860.8000112.3Y1087 F1090 A1102 V1103 L1104 S1109 H1113 L1117 Y1120Y1087-L1106 HydrophobicContact CD2-CD1 4.04Å; Y1087-L1106 HydrophobicContact CE2-CD1 3.82Å; F1090-L1106 HydrophobicContact CB-CB 4.41Å; F1090-L1106 HydrophobicContact CD1-CD1 3.85Å; F1090-L1106 HydrophobicContact CD2-CB 3.76Å; F1090-L1106 HydrophobicContact CD2-CD1 4.29Å; F1090-L1106 HydrophobicContact CD2-CD2 4.3Å; F1090-L1106 HydrophobicContact CD2-CG 4.34Å; F1090-L1106 HydrophobicContact CE1-CD1 3.87Å; F1090-L1106 HydrophobicContact CE2-CB 4.14Å; F1090-L1106 HydrophobicContact CE2-CD1 4.3Å; F1090-L1106 HydrophobicContact CE2-CD2 3.82Å; F1090-L1106 HydrophobicContact CE2-CG 4.32Å; F1090-L1106 HydrophobicContact CG-CB 4.03Å; F1090-L1106 HydrophobicContact CG-CD1 4.06Å; F1090-L1106 HydrophobicContact CZ-CD1 4.09Å; F1090-L1106 HydrophobicContact CZ-CD2 3.97Å; A1102-L1106 PolarHBondContact O-N 3.26Å; V1103-L1106 PolarHBondContact O-N 2.72Å; L1104-L1106 PolarHBondContact O-N 3.28Å; L1106-S1109 PolarHBondContact O-N 3.31Å; L1106-S1109 PolarHBondContact O-OG 2.73Å; L1106-H1113 HydrophobicContact CD1-CB 4.25Å; L1106-L1117 HydrophobicContact CB-CD1 4.46Å; L1106-L1117 HydrophobicContact CD2-CB 4.22Å; L1106-L1117 HydrophobicContact CD2-CD1 4.04Å; L1106-L1117 HydrophobicContact CG-CB 4.38Å; L1106-L1117 HydrophobicContact CG-CD1 4.18Å; L1106-Y1120 HydrophobicContact CD2-CD1 4.29Å; L1106-Y1120 HydrophobicContact CD2-CG 4.09Å
1107I88.3Confident87.5Confident35 Ų3554.2 Ų54.218%0.17928%0.283CS..Hα-helixtrans-66-44.4172.8-66.5163.4000109.9V1103 L1104 S1109 G1110 L1117 V1130 V1133 I1134V1103-I1107 WeakPolarHBondContact O-CG1 3.45Å; V1103-I1107 PolarHBondContact O-N 2.87Å; V1103-I1107 VanDerWaalsContact O-N 3.09Å; L1104-I1107 WeakPolarHBondContact O-CB 3.33Å; L1104-I1107 PolarHBondContact O-N 3Å; I1107-S1109 PolarHBondContact O-N 3.03Å; I1107-G1110 PolarHBondContact O-N 2.79Å; I1107-L1117 HydrophobicContact CG1-CD1 3.85Å; I1107-L1117 HydrophobicContact CG1-CD2 4.12Å; I1107-V1130 HydrophobicContact CD1-CB 4.36Å; I1107-V1130 HydrophobicContact CD1-CG1 4.01Å; I1107-V1130 HydrophobicContact CD1-CG2 4.12Å; I1107-V1133 HydrophobicContact CD1-CB 4.32Å; I1107-V1133 HydrophobicContact CD1-CG1 4.47Å; I1107-V1133 HydrophobicContact CG2-CG1 4.45Å; I1107-I1134 HydrophobicContact CD1-CG1 4.4Å
1108D87.1Confident87.5Confident100 Ų10048.8 Ų48.854%0.53526%0.261SS..Hα-helixtrans-67.4-18.3-179.8-64.3-21.5000113A1086 L1104 H1105 G1110A1086-D1108 HydrophobicContact CB-CB 3.76Å; L1104-D1108 PolarHBondContact O-N 2.74Å; L1104-D1108 VanDerWaalsContact O-N 3.09Å; H1105-D1108 PolarHBondContact O-N 2.72Å; D1108-G1110 PolarHBondContact O-N 3.08Å
1109S85.4Confident87.6Confident1 Ų148.9 Ų48.91%0.00727%0.27CS..THydrogen-bonded Turntrans-73.22.2177.776.70000115.4H1105 L1106 I1107 H1113H1105-S1109 PolarHBondContact O-N 3.09Å; H1105-S1109 VanDerWaalsContact O-N 3.11Å; L1106-S1109 PolarHBondContact O-N 3.31Å; L1106-S1109 PolarHBondContact O-OG 2.73Å; I1107-S1109 PolarHBondContact O-N 3.03Å; S1109-H1113 PolarHBondContact O-ND1 2.98Å; S1109-H1113 PolarHBondContact OG-ND1 2.86Å
1110G83Confident87.6Confident18 Ų1846 Ų4619%0.18626%0.259CS..  trans90.7172.4169.400000115.8I1107 D1108 K1112 H1113I1107-G1110 PolarHBondContact O-N 2.79Å; D1108-G1110 PolarHBondContact O-N 3.08Å; G1110-K1112 VanDerWaalsContact C-N 3.3Å; G1110-K1112 PolarHBondContact O-N 3.01Å; G1110-H1113 PolarHBondContact O-N 2.68Å
1111P78.9Confident87.7Confident105 Ų10543.5 Ų43.568%0.68224%0.241SC*.G310 helixtrans-70.4-19.9-168.227-34.9000114.4H1113 K1114P1111-H1113 PolarHBondContact O-N 2.79Å; P1111-K1114 WeakPolarHBondContact O-CB 3.45Å; P1111-K1114 PolarHBondContact O-N 3.2Å; P1111-K1114 VanDerWaalsContact O-N 3.16Å
1112K83.6Confident87.7Confident104 Ų10444.9 Ų44.945%0.45225%0.247SC..G310 helixtrans-65.7-27.1177.9-71.8180171.8175.40112.4Q1077 D1079 G1110 K1114Q1077-K1112 HydrophobicContact CB-CB 4.2Å; Q1077-K1112 HydrophobicContact CB-CD 4.38Å; Q1077-K1112 WeakPolarHBondContact O-CB 3.27Å; Q1077-K1112 WeakPolarHBondContact O-CD 3.43Å; D1079-K1112 IonicContact OD1-NZ 2.64Å; D1079-K1112 PolarHBondContact OD1-NZ 3.25Å; D1079-K1112 WeakPolarHBondContact OD2-CE 3.33Å; D1079-K1112 IonicContact OD2-NZ 2.77Å; D1079-K1112 PolarHBondContact OD2-NZ 2.93Å; G1110-K1112 VanDerWaalsContact C-N 3.3Å; G1110-K1112 PolarHBondContact O-N 3.01Å; K1112-K1114 VanDerWaalsContact C-N 3.28Å; K1112-K1114 PolarHBondContact O-N 3.42Å
1113H86.2Confident87.6Confident9 Ų948.2 Ų48.24%0.04228%0.275CS..G310 helixtrans-84.18.2175.7-62.9105.3000114.2Y1076 Y1087 L1106 S1109 G1110 P1111 A1115 E1116 L1117Y1076-H1113 PolarHBondContact O-CE1 2.89Å; Y1076-H1113 VanDerWaalsContact O-CE1 3.24Å; Y1076-H1113 PolarHBondContact O-NE2 3.14Å; Y1087-H1113 AromaticContact CD2-CD2 3.83Å; Y1087-H1113 AromaticContact CD2-CE1 3.86Å; Y1087-H1113 AromaticContact CD2-NE2 3.71Å; Y1087-H1113 AromaticContact CE2-CD2 3.39Å; Y1087-H1113 WeakPolarHBondContact CE2-CD2 3.37Å; Y1087-H1113 AromaticContact CE2-CG 3.97Å; Y1087-H1113 AromaticContact CE2-NE2 3.54Å; Y1087-H1113 AromaticContact CZ-NE2 3.93Å; L1106-H1113 HydrophobicContact CD1-CB 4.25Å; S1109-H1113 PolarHBondContact O-ND1 2.98Å; S1109-H1113 PolarHBondContact OG-ND1 2.86Å; G1110-H1113 PolarHBondContact O-N 2.68Å; P1111-H1113 PolarHBondContact O-N 2.79Å; H1113-A1115 VanDerWaalsContact C-N 3.32Å; H1113-A1115 PolarHBondContact O-N 2.94Å; H1113-E1116 IonicContact CD2-OE2 3.75Å; H1113-E1116 WeakPolarHBondContact O-CB 3.21Å; H1113-E1116 PolarHBondContact O-N 2.91Å; H1113-L1117 PolarHBondContact O-N 3.17Å
1114K81.2Confident87.5Confident62 Ų6252.1 Ų52.127%0.2729%0.29SS..Hα-helixtrans-52.7-43.5-176.4175.6174.5178.4164.60114.1P1111 K1112 E1116 L1117 L1118 E1140P1111-K1114 WeakPolarHBondContact O-CB 3.45Å; P1111-K1114 PolarHBondContact O-N 3.2Å; P1111-K1114 VanDerWaalsContact O-N 3.16Å; K1112-K1114 VanDerWaalsContact C-N 3.28Å; K1112-K1114 PolarHBondContact O-N 3.42Å; K1114-E1116 VanDerWaalsContact C-N 3.34Å; K1114-L1117 PolarHBondContact O-N 3.18Å; K1114-L1118 HydrophobicContact CG-CD1 4.39Å; K1114-L1118 WeakPolarHBondContact O-CG 3.32Å; K1114-L1118 PolarHBondContact O-N 3.34Å; K1114-L1118 VanDerWaalsContact O-N 3.09Å; K1114-E1140 HydrophobicContact CD-CG 4.15Å; K1114-E1140 WeakPolarHBondContact CD-OE1 2.91Å; K1114-E1140 VanDerWaalsContact CE-OE1 3.29Å; K1114-E1140 WeakPolarHBondContact CE-OE1 3.37Å; K1114-E1140 HydrophobicContact CG-CG 4.44Å; K1114-E1140 IonicContact NZ-OE1 3.07Å; K1114-E1140 PolarHBondContact NZ-OE1 2.95Å
1115A86.1Confident87.4Confident79 Ų7952.7 Ų52.765%0.65329%0.293SS*.Hα-helixtrans-65.3-40179.800000111.7H1113 S1119H1113-A1115 VanDerWaalsContact C-N 3.32Å; H1113-A1115 PolarHBondContact O-N 2.94Å; A1115-S1119 PolarHBondContact O-N 3.13Å
1116E90.1Very high87.4Confident66 Ų6652 Ų5231%0.30829%0.291SS..Hα-helixtrans-65.7-46.7176.4-170.4171.4-16800110.5Y1087 H1113 K1114 L1118 S1119 Y1120Y1087-E1116 WeakPolarHBondContact CE2-OE2 3.29Å; Y1087-E1116 PolarHBondContact OH-OE1 3.14Å; Y1087-E1116 PolarHBondContact OH-OE2 3.5Å; H1113-E1116 IonicContact CD2-OE2 3.75Å; H1113-E1116 WeakPolarHBondContact O-CB 3.21Å; H1113-E1116 PolarHBondContact O-N 2.91Å; K1114-E1116 VanDerWaalsContact C-N 3.34Å; E1116-L1118 PolarHBondContact O-N 2.88Å; E1116-S1119 PolarHBondContact O-N 3.09Å; E1116-S1119 VanDerWaalsContact O-N 3.15Å; E1116-S1119 PolarHBondContact O-OG 2.8Å; E1116-Y1120 VanDerWaalsContact O-CB 3.31Å; E1116-Y1120 WeakPolarHBondContact O-CB 3.45Å; E1116-Y1120 PolarHBondContact O-N 3.37Å
1117L89Confident87.4Confident14 Ų1452.2 Ų52.27%0.07329%0.292CS..Hα-helixtrans-53-50.2175.7178.365.6000112.3V1103 L1106 I1107 H1113 K1114 S1119 Y1120 V1121 I1134V1103-L1117 HydrophobicContact CG2-CD1 3.92Å; L1106-L1117 HydrophobicContact CB-CD1 4.46Å; L1106-L1117 HydrophobicContact CD2-CB 4.22Å; L1106-L1117 HydrophobicContact CD2-CD1 4.04Å; L1106-L1117 HydrophobicContact CG-CB 4.38Å; L1106-L1117 HydrophobicContact CG-CD1 4.18Å; I1107-L1117 HydrophobicContact CG1-CD1 3.85Å; I1107-L1117 HydrophobicContact CG1-CD2 4.12Å; H1113-L1117 PolarHBondContact O-N 3.17Å; K1114-L1117 PolarHBondContact O-N 3.18Å; L1117-S1119 VanDerWaalsContact C-N 3.33Å; L1117-S1119 PolarHBondContact O-N 2.91Å; L1117-Y1120 PolarHBondContact O-N 3.43Å; L1117-V1121 HydrophobicContact CD1-CG2 4.11Å; L1117-V1121 VanDerWaalsContact O-CG2 3.28Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.28Å; L1117-V1121 PolarHBondContact O-N 3.02Å; L1117-I1134 HydrophobicContact CD2-CD1 4.23Å
1118L87.8Confident87.3Confident36 Ų3653 Ų5319%0.18830%0.304CS..Hα-helixtrans-62-41.4179.8-69.2174.1000112K1114 E1116 K1122 I1143 I1144 L1147K1114-L1118 HydrophobicContact CG-CD1 4.39Å; K1114-L1118 WeakPolarHBondContact O-CG 3.32Å; K1114-L1118 PolarHBondContact O-N 3.34Å; K1114-L1118 VanDerWaalsContact O-N 3.09Å; E1116-L1118 PolarHBondContact O-N 2.88Å; L1118-K1122 WeakPolarHBondContact O-CB 3.34Å; L1118-K1122 PolarHBondContact O-N 3.43Å; L1118-I1143 HydrophobicContact CD1-CG2 4.31Å; L1118-I1143 HydrophobicContact CD2-CG2 4.09Å; L1118-I1144 HydrophobicContact CD2-CD1 4.14Å; L1118-I1144 HydrophobicContact CD2-CG1 3.56Å; L1118-L1147 HydrophobicContact CD2-CD1 4.28Å
1119S89.6Confident87.3Confident71 Ų7151.7 Ų51.750%0.49729%0.294SS..Hα-helixtrans-66.3-39.1176.876.20000112.1A1115 E1116 L1117 K1122 A1123A1115-S1119 PolarHBondContact O-N 3.13Å; E1116-S1119 PolarHBondContact O-N 3.09Å; E1116-S1119 VanDerWaalsContact O-N 3.15Å; E1116-S1119 PolarHBondContact O-OG 2.8Å; L1117-S1119 VanDerWaalsContact C-N 3.33Å; L1117-S1119 PolarHBondContact O-N 2.91Å; S1119-K1122 PolarHBondContact O-N 2.87Å; S1119-A1123 WeakPolarHBondContact O-CB 3.49Å; S1119-A1123 PolarHBondContact O-N 3.5Å
1120Y91.7Very high87.4Confident14 Ų1451.7 Ų51.76%0.05529%0.294CS..Hα-helixtrans-69.9-44.9-177.7-162.9-97.3000111.8F1090 H1094 V1103 L1106 E1116 L1117 K1122 A1123 Y1124 L1126F1090-Y1120 HydrophobicContact CE2-CD1 4.33Å; F1090-Y1120 HydrophobicContact CE2-CD2 4.02Å; F1090-Y1120 AromaticContact CE2-CE1 3.98Å; F1090-Y1120 HydrophobicContact CE2-CE1 3.98Å; F1090-Y1120 AromaticContact CE2-CE2 3.65Å; F1090-Y1120 HydrophobicContact CE2-CE2 3.65Å; F1090-Y1120 HydrophobicContact CE2-CG 4.34Å; F1090-Y1120 AromaticContact CE2-CZ 3.63Å; F1090-Y1120 HydrophobicContact CZ-CD2 4.04Å; F1090-Y1120 AromaticContact CZ-CE2 3.87Å; F1090-Y1120 HydrophobicContact CZ-CE2 3.87Å; H1094-Y1120 AromaticContact CE1-CE2 3.89Å; H1094-Y1120 AromaticContact ND1-CE2 3.42Å; H1094-Y1120 WeakPolarHBondContact ND1-CE2 3.43Å; H1094-Y1120 AromaticContact ND1-CZ 3.61Å; H1094-Y1120 PolarHBondContact ND1-OH 3.45Å; V1103-Y1120 HydrophobicContact CB-CD1 4.4Å; V1103-Y1120 HydrophobicContact CB-CE1 4.39Å; V1103-Y1120 HydrophobicContact CG2-CD1 4.21Å; L1106-Y1120 HydrophobicContact CD2-CD1 4.29Å; L1106-Y1120 HydrophobicContact CD2-CG 4.09Å; E1116-Y1120 VanDerWaalsContact O-CB 3.31Å; E1116-Y1120 WeakPolarHBondContact O-CB 3.45Å; E1116-Y1120 PolarHBondContact O-N 3.37Å; L1117-Y1120 PolarHBondContact O-N 3.43Å; Y1120-K1122 VanDerWaalsContact C-N 3.28Å; Y1120-K1122 PolarHBondContact O-N 2.86Å; Y1120-A1123 PolarHBondContact O-N 3.28Å; Y1120-Y1124 HydrophobicContact CD1-CD2 4.05Å; Y1120-Y1124 AromaticContact CD2-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CD2-CD2 3.85Å; Y1120-Y1124 AromaticContact CD2-CE2 3.73Å; Y1120-Y1124 HydrophobicContact CD2-CE2 3.73Å; Y1120-Y1124 AromaticContact CE1-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CE1-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CE1-CE2 4.34Å; Y1120-Y1124 AromaticContact CE2-CD2 3.63Å; Y1120-Y1124 HydrophobicContact CE2-CD2 3.63Å; Y1120-Y1124 AromaticContact CE2-CE2 3.3Å; Y1120-Y1124 HydrophobicContact CE2-CE2 3.3Å; Y1120-Y1124 HydrophobicContact CG-CD2 4.04Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.39Å; Y1120-Y1124 AromaticContact CZ-CD2 3.63Å; Y1120-Y1124 AromaticContact CZ-CE2 3.66Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.31Å; Y1120-Y1124 PolarHBondContact O-N 3.01Å; Y1120-L1126 HydrophobicContact CD1-CD1 3.97Å; Y1120-L1126 HydrophobicContact CE1-CD1 3.76Å
1121V90.6Very high87.5Confident3 Ų351.4 Ų51.42%0.01829%0.288CS..Hα-helixtrans-58.8-42.3174.6171.70000110.9V1103 L1117 N1125 L1126 Y1127 V1130V1103-V1121 HydrophobicContact CG2-CG2 4.03Å; L1117-V1121 HydrophobicContact CD1-CG2 4.11Å; L1117-V1121 VanDerWaalsContact O-CG2 3.28Å; L1117-V1121 WeakPolarHBondContact O-CG2 3.28Å; L1117-V1121 PolarHBondContact O-N 3.02Å; V1121-N1125 VanDerWaalsContact O-CA 3.3Å; V1121-N1125 WeakPolarHBondContact O-CA 3.19Å; V1121-N1125 PolarHBondContact O-N 2.96Å; V1121-L1126 PolarHBondContact O-N 2.81Å; V1121-L1126 VanDerWaalsContact O-N 3.17Å; V1121-Y1127 HydrophobicContact CG1-CD1 3.48Å; V1121-Y1127 VanDerWaalsContact CG1-CD1 3.48Å; V1121-Y1127 HydrophobicContact CG1-CE1 3.81Å; V1121-Y1127 HydrophobicContact CG1-CG 3.99Å; V1121-V1130 HydrophobicContact CG2-CB 4.23Å; V1121-V1130 HydrophobicContact CG2-CG1 4.35Å; V1121-V1130 HydrophobicContact CG2-CG2 3.52Å
1122K88.6Confident87.8Confident128 Ų12854.4 Ų54.456%0.55729%0.293SS*.Hα-helixtrans-67.9-40177.7-169.5176.7-176.8176.50112.5L1118 S1119 Y1120L1118-K1122 WeakPolarHBondContact O-CB 3.34Å; L1118-K1122 PolarHBondContact O-N 3.43Å; S1119-K1122 PolarHBondContact O-N 2.87Å; Y1120-K1122 VanDerWaalsContact C-N 3.28Å; Y1120-K1122 PolarHBondContact O-N 2.86Å
1123A88.4Confident87.9Confident70 Ų7053 Ų5358%0.57929%0.293SS*.Hα-helixtrans-68.8-40.6-17900000112.9S1119 Y1120S1119-A1123 WeakPolarHBondContact O-CB 3.49Å; S1119-A1123 PolarHBondContact O-N 3.5Å; Y1120-A1123 PolarHBondContact O-N 3.28Å
1124Y89.9Confident87.8Confident82 Ų8253.4 Ų53.432%0.32230%0.295SS..Hα-helixtrans-105.23.8-174.6-65.9-76.5000114.5H1094 Y1099 Y1120 L1126H1094-Y1124 AromaticContact CE1-CZ 3.99Å; H1094-Y1124 PolarHBondContact CE1-OH 3.26Å; H1094-Y1124 VanDerWaalsContact CE1-OH 3.26Å; Y1099-Y1124 AromaticContact CD1-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CD1-CD1 3.93Å; Y1099-Y1124 AromaticContact CD1-CE1 3.83Å; Y1099-Y1124 HydrophobicContact CD1-CE1 3.83Å; Y1099-Y1124 HydrophobicContact CD1-CG 4.39Å; Y1099-Y1124 HydrophobicContact CD2-CD1 4.02Å; Y1099-Y1124 HydrophobicContact CD2-CE1 4.39Å; Y1099-Y1124 HydrophobicContact CE1-CD1 4.01Å; Y1099-Y1124 AromaticContact CE1-CE1 3.48Å; Y1099-Y1124 HydrophobicContact CE1-CE1 3.48Å; Y1099-Y1124 VanDerWaalsContact CE1-CE1 3.48Å; Y1099-Y1124 AromaticContact CE1-CZ 3.91Å; Y1099-Y1124 HydrophobicContact CE2-CD1 4.09Å; Y1099-Y1124 HydrophobicContact CE2-CE1 4.08Å; Y1099-Y1124 AromaticContact CG-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CG-CD1 3.93Å; Y1099-Y1124 HydrophobicContact CG-CE1 4.27Å; Y1099-Y1124 HydrophobicContact CG-CG 4.37Å; Y1099-Y1124 AromaticContact CZ-CE1 3.61Å; Y1120-Y1124 HydrophobicContact CD1-CD2 4.05Å; Y1120-Y1124 AromaticContact CD2-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CD2-CD2 3.85Å; Y1120-Y1124 AromaticContact CD2-CE2 3.73Å; Y1120-Y1124 HydrophobicContact CD2-CE2 3.73Å; Y1120-Y1124 AromaticContact CE1-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CE1-CD2 3.85Å; Y1120-Y1124 HydrophobicContact CE1-CE2 4.34Å; Y1120-Y1124 AromaticContact CE2-CD2 3.63Å; Y1120-Y1124 HydrophobicContact CE2-CD2 3.63Å; Y1120-Y1124 AromaticContact CE2-CE2 3.3Å; Y1120-Y1124 HydrophobicContact CE2-CE2 3.3Å; Y1120-Y1124 HydrophobicContact CG-CD2 4.04Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.39Å; Y1120-Y1124 AromaticContact CZ-CD2 3.63Å; Y1120-Y1124 AromaticContact CZ-CE2 3.66Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.31Å; Y1120-Y1124 PolarHBondContact O-N 3.01Å; Y1124-L1126 PolarHBondContact O-N 2.86Å
1125N89.1Confident87.9Confident79 Ų7954.9 Ų54.942%0.42231%0.311SS..THydrogen-bonded Turntrans57.440.1-179.6-57.7-55.7000114.4V1121 Y1127 Y1151V1121-N1125 VanDerWaalsContact O-CA 3.3Å; V1121-N1125 WeakPolarHBondContact O-CA 3.19Å; V1121-N1125 PolarHBondContact O-N 2.96Å; N1125-Y1127 VanDerWaalsContact C-N 3.28Å; N1125-Y1127 HydrophobicContact CB-CD2 4.44Å; N1125-Y1127 HydrophobicContact CB-CE2 4.15Å; N1125-Y1127 PolarHBondContact O-N 3.3Å; N1125-Y1151 VanDerWaalsContact OD1-CE2 3.29Å; N1125-Y1151 WeakPolarHBondContact OD1-CE2 3.41Å
1126L89.9Confident87.7Confident14 Ų1457.6 Ų57.67%0.07331%0.31CS..  trans-90.523.6-172.8-54.3171.2000113.6Y1099 V1103 Y1120 V1121 Y1124 A1128 Q1129 V1130Y1099-L1126 WeakPolarHBondContact O-CD1 3.28Å; V1103-L1126 HydrophobicContact CB-CD1 3.72Å; V1103-L1126 HydrophobicContact CG1-CB 4.37Å; V1103-L1126 HydrophobicContact CG1-CD1 4.02Å; V1103-L1126 HydrophobicContact CG2-CB 4.5Å; V1103-L1126 HydrophobicContact CG2-CD1 4.09Å; Y1120-L1126 HydrophobicContact CD1-CD1 3.97Å; Y1120-L1126 HydrophobicContact CE1-CD1 3.76Å; V1121-L1126 PolarHBondContact O-N 2.81Å; V1121-L1126 VanDerWaalsContact O-N 3.17Å; Y1124-L1126 PolarHBondContact O-N 2.86Å; L1126-A1128 VanDerWaalsContact C-N 3.32Å; L1126-A1128 PolarHBondContact O-N 3.25Å; L1126-Q1129 PolarHBondContact O-N 3.43Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; L1126-V1130 PolarHBondContact O-N 3.43Å
1127Y90.5Very high87.1Confident7 Ų762.1 Ų62.13%0.02734%0.337CS..Hα-helixtrans-55.7-42.3-171.6-54-82.8000113.5V1121 N1125 V1130 I1131 I1144 L1147 W1148 Y1151V1121-Y1127 HydrophobicContact CG1-CD1 3.48Å; V1121-Y1127 VanDerWaalsContact CG1-CD1 3.48Å; V1121-Y1127 HydrophobicContact CG1-CE1 3.81Å; V1121-Y1127 HydrophobicContact CG1-CG 3.99Å; N1125-Y1127 VanDerWaalsContact C-N 3.28Å; N1125-Y1127 HydrophobicContact CB-CD2 4.44Å; N1125-Y1127 HydrophobicContact CB-CE2 4.15Å; N1125-Y1127 PolarHBondContact O-N 3.3Å; Y1127-V1130 PolarHBondContact O-N 2.85Å; Y1127-I1131 WeakPolarHBondContact O-CB 3.48Å; Y1127-I1131 PolarHBondContact O-N 2.85Å; Y1127-I1131 VanDerWaalsContact O-N 3.09Å; Y1127-I1144 HydrophobicContact CD1-CG2 4.32Å; Y1127-L1147 HydrophobicContact CE1-CB 4.3Å; Y1127-W1148 VanDerWaalsContact CB-CG 3.46Å; Y1127-W1148 HydrophobicContact CD1-CB 3.59Å; Y1127-W1148 AromaticContact CD1-CG 3.98Å; Y1127-W1148 HydrophobicContact CD1-CG 3.98Å; Y1127-W1148 AromaticContact CD2-CD1 3.58Å; Y1127-W1148 HydrophobicContact CD2-CG 4.15Å; Y1127-W1148 HydrophobicContact CE1-CB 4.23Å; Y1127-W1148 HydrophobicContact CG-CB 3.79Å; Y1127-W1148 AromaticContact CG-CD1 3.53Å; Y1127-W1148 HydrophobicContact CG-CD2 4.25Å; Y1127-W1148 AromaticContact CG-CG 3.61Å; Y1127-W1148 HydrophobicContact CG-CG 3.61Å; Y1127-Y1151 HydrophobicContact CD2-CD1 4.39Å; Y1127-Y1151 AromaticContact CE2-CD1 3.81Å; Y1127-Y1151 HydrophobicContact CE2-CD1 3.81Å; Y1127-Y1151 HydrophobicContact CE2-CE1 4.32Å; Y1127-Y1151 AromaticContact CE2-CG 3.94Å; Y1127-Y1151 HydrophobicContact CE2-CG 3.94Å
1128A87.6Confident86.8Confident52 Ų5262.5 Ų62.543%0.4334%0.341SS..Hα-helixtrans-65.3-46.7-176.800000112.4L1126 V1130 I1131 E1132 W1148L1126-A1128 VanDerWaalsContact C-N 3.32Å; L1126-A1128 PolarHBondContact O-N 3.25Å; A1128-V1130 VanDerWaalsContact C-N 3.29Å; A1128-V1130 PolarHBondContact O-N 3.23Å; A1128-I1131 PolarHBondContact O-N 3.16Å; A1128-E1132 PolarHBondContact O-N 2.77Å; A1128-W1148 HydrophobicContact CB-CH2 4.18Å; A1128-W1148 HydrophobicContact CB-CZ2 4.32Å
1129Q85.1Confident86.5Confident72 Ų7267.6 Ų67.634%0.33636%0.364SS..Hα-helixtrans-63.2-37.4-180-72.2141-10.300111.6V1103 L1126V1103-Q1129 HydrophobicContact CG1-CB 4.41Å; L1126-Q1129 PolarHBondContact O-N 3.43Å
1130V87.7Confident86.1Confident0 Ų066.8 Ų66.80%035%0.352CS..Hα-helixtrans-75.1-38.5-178.2176.10000112.5V1103 I1107 V1121 L1126 Y1127 A1128 E1132 V1133 I1134 I1144V1103-V1130 HydrophobicContact CB-CG2 4.39Å; V1103-V1130 HydrophobicContact CG1-CG2 4.08Å; V1103-V1130 HydrophobicContact CG2-CG2 3.39Å; I1107-V1130 HydrophobicContact CD1-CB 4.36Å; I1107-V1130 HydrophobicContact CD1-CG1 4.01Å; I1107-V1130 HydrophobicContact CD1-CG2 4.12Å; V1121-V1130 HydrophobicContact CG2-CB 4.23Å; V1121-V1130 HydrophobicContact CG2-CG1 4.35Å; V1121-V1130 HydrophobicContact CG2-CG2 3.52Å; L1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; L1126-V1130 PolarHBondContact O-N 3.43Å; Y1127-V1130 PolarHBondContact O-N 2.85Å; A1128-V1130 VanDerWaalsContact C-N 3.29Å; A1128-V1130 PolarHBondContact O-N 3.23Å; V1130-E1132 VanDerWaalsContact C-N 3.26Å; V1130-E1132 PolarHBondContact O-N 3.12Å; V1130-V1133 PolarHBondContact O-N 2.72Å; V1130-I1134 HydrophobicContact CG1-CD1 3.3Å; V1130-I1134 HydrophobicContact CG1-CG1 3.9Å; V1130-I1134 WeakPolarHBondContact O-CG1 3.21Å; V1130-I1134 PolarHBondContact O-N 3.42Å; V1130-I1144 HydrophobicContact CG1-CD1 3.7Å
1131I86.2Confident85.9Confident13 Ų1366.3 Ų66.37%0.06735%0.35CS..Hα-helixtrans-67.7-24.5178.7-82.7169.3000113.1Y1127 A1128 V1133 F1141 I1144 W1148Y1127-I1131 WeakPolarHBondContact O-CB 3.48Å; Y1127-I1131 PolarHBondContact O-N 2.85Å; Y1127-I1131 VanDerWaalsContact O-N 3.09Å; A1128-I1131 PolarHBondContact O-N 3.16Å; I1131-V1133 VanDerWaalsContact C-N 3.3Å; I1131-F1141 HydrophobicContact CG1-CE2 4.38Å; I1131-F1141 HydrophobicContact CG2-CE2 3.85Å; I1131-F1141 HydrophobicContact CG2-CZ 4.45Å; I1131-I1144 HydrophobicContact CD1-CG2 3.95Å; I1131-I1144 HydrophobicContact CG1-CG2 3.94Å; I1131-W1148 HydrophobicContact CD1-CD2 4.34Å; I1131-W1148 HydrophobicContact CD1-CE3 3.24Å; I1131-W1148 HydrophobicContact CD1-CZ3 3.51Å
1132E85.4Confident85.8Confident168 Ų16870.7 Ų70.779%0.78537%0.369SS*.Hα-helixtrans-70.1-27.4174.9-77.6-178.1171.900112.9A1128 V1130A1128-E1132 PolarHBondContact O-N 2.77Å; V1130-E1132 VanDerWaalsContact C-N 3.26Å; V1130-E1132 PolarHBondContact O-N 3.12Å
1133V85.4Confident85.7Confident75 Ų7567.5 Ų67.546%0.45536%0.357SS..Hα-helixtrans-103-35.9-172.1-1760000112.3L1104 I1107 V1130 I1131L1104-V1133 HydrophobicContact CD2-CG2 3.74Å; I1107-V1133 HydrophobicContact CD1-CB 4.32Å; I1107-V1133 HydrophobicContact CD1-CG1 4.47Å; I1107-V1133 HydrophobicContact CG2-CG1 4.45Å; V1130-V1133 PolarHBondContact O-N 2.72Å; I1131-V1133 VanDerWaalsContact C-N 3.3Å
1134I84.8Confident85.8Confident16 Ų1664.3 Ų64.38%0.08233%0.33CS..SBendtrans-72.1138.3-176.8-68.4-175.3000111.9I1107 L1117 V1130 Q1136 S1138 E1140 F1141 I1144I1107-I1134 HydrophobicContact CD1-CG1 4.4Å; L1117-I1134 HydrophobicContact CD2-CD1 4.23Å; V1130-I1134 HydrophobicContact CG1-CD1 3.3Å; V1130-I1134 HydrophobicContact CG1-CG1 3.9Å; V1130-I1134 WeakPolarHBondContact O-CG1 3.21Å; V1130-I1134 PolarHBondContact O-N 3.42Å; I1134-Q1136 PolarHBondContact O-N 3.49Å; I1134-S1138 WeakPolarHBondContact CG2-OG 3.27Å; I1134-E1140 HydrophobicContact CD1-CB 4.38Å; I1134-E1140 HydrophobicContact CG2-CB 4.22Å; I1134-F1141 HydrophobicContact CG2-CB 4.13Å; I1134-I1144 HydrophobicContact CD1-CD1 3.61Å
1135P83.2Confident85.8Confident94 Ų9460.4 Ų60.461%0.6132%0.315SS*.  trans-59.3132.5176.9-22.131.7000113N1137 S1138P1135-N1137 VanDerWaalsContact C-N 3.26Å; P1135-N1137 PolarHBondContact O-N 3.47Å; P1135-S1138 VanDerWaalsContact O-CB 3.23Å; P1135-S1138 WeakPolarHBondContact O-CB 3.13Å; P1135-S1138 PolarHBondContact O-N 3.27Å; P1135-S1138 VanDerWaalsContact O-N 3.08Å; P1135-S1138 PolarHBondContact O-OG 2.92Å
1136Q80.9Confident85.9Confident135 Ų13560 Ų6063%0.63131%0.311SS*.THydrogen-bonded Turntrans-62.4-27.8-176.1-67-176.1-1.400114.5I1134 S1138 F1141I1134-Q1136 PolarHBondContact O-N 3.49Å; Q1136-S1138 VanDerWaalsContact C-N 3.27Å; Q1136-S1138 PolarHBondContact O-N 2.83Å; Q1136-F1141 HydrophobicContact CB-CZ 4.49Å; Q1136-F1141 HydrophobicContact CG-CE2 3.99Å; Q1136-F1141 HydrophobicContact CG-CZ 4.08Å
1137N78.2Confident85.9Confident162 Ų16261.6 Ų61.687%0.86632%0.319SS*.THydrogen-bonded Turntrans-82.6-5.3-179.8-66.4-13.8000113.4P1135P1135-N1137 VanDerWaalsContact C-N 3.26Å; P1135-N1137 PolarHBondContact O-N 3.47Å
1138S83Confident86Confident22 Ų2263.7 Ų63.715%0.15433%0.327CS..SBendtrans-74.3152.5-177.472.40000111.9I1134 P1135 Q1136 E1140 F1141I1134-S1138 WeakPolarHBondContact CG2-OG 3.27Å; P1135-S1138 VanDerWaalsContact O-CB 3.23Å; P1135-S1138 WeakPolarHBondContact O-CB 3.13Å; P1135-S1138 PolarHBondContact O-N 3.27Å; P1135-S1138 VanDerWaalsContact O-N 3.08Å; P1135-S1138 PolarHBondContact O-OG 2.92Å; Q1136-S1138 VanDerWaalsContact C-N 3.27Å; Q1136-S1138 PolarHBondContact O-N 2.83Å; S1138-E1140 VanDerWaalsContact C-N 3.27Å; S1138-E1140 VanDerWaalsContact CB-OE2 3.25Å; S1138-E1140 WeakPolarHBondContact CB-OE2 3.05Å; S1138-F1141 PolarHBondContact O-N 3.26Å; S1138-F1141 WeakPolarHBondContact OG-CB 3.33Å; S1138-F1141 PolarHBondContact OG-N 3.11Å; S1138-F1141 VanDerWaalsContact OG-N 3.12Å
1139E80.7Confident86.1Confident143 Ų14361.2 Ų61.267%0.66831%0.306SS*.Hα-helixtrans-68.3-31.5172.5-70.9-149.5155.700111.6F1141 K1142 I1143E1139-F1141 VanDerWaalsContact C-N 3.29Å; E1139-F1141 PolarHBondContact O-N 3.38Å; E1139-K1142 PolarHBondContact O-N 3.39Å; E1139-I1143 WeakPolarHBondContact O-CG1 3.38Å; E1139-I1143 PolarHBondContact O-N 3.43Å; E1139-I1143 VanDerWaalsContact O-N 3.1Å
1140E81.5Confident86.4Confident53 Ų5360.9 Ų60.925%0.24831%0.307CS..Hα-helixtrans-56.4-44.5175-66.273.7-152.600111.3K1114 I1134 S1138 K1142 I1143 I1144K1114-E1140 HydrophobicContact CD-CG 4.15Å; K1114-E1140 WeakPolarHBondContact CD-OE1 2.91Å; K1114-E1140 VanDerWaalsContact CE-OE1 3.29Å; K1114-E1140 WeakPolarHBondContact CE-OE1 3.37Å; K1114-E1140 HydrophobicContact CG-CG 4.44Å; K1114-E1140 IonicContact NZ-OE1 3.07Å; K1114-E1140 PolarHBondContact NZ-OE1 2.95Å; I1134-E1140 HydrophobicContact CD1-CB 4.38Å; I1134-E1140 HydrophobicContact CG2-CB 4.22Å; S1138-E1140 VanDerWaalsContact C-N 3.27Å; S1138-E1140 VanDerWaalsContact CB-OE2 3.25Å; S1138-E1140 WeakPolarHBondContact CB-OE2 3.05Å; E1140-K1142 VanDerWaalsContact C-N 3.34Å; E1140-K1142 PolarHBondContact O-N 3Å; E1140-I1143 PolarHBondContact O-N 2.83Å; E1140-I1144 WeakPolarHBondContact O-CB 3Å; E1140-I1144 VanDerWaalsContact O-CG1 3.26Å; E1140-I1144 WeakPolarHBondContact O-CG1 3.24Å; E1140-I1144 PolarHBondContact O-N 2.89Å
1141F87.7Confident86.5Confident5 Ų565.2 Ų65.22%0.02232%0.324CS..Hα-helixtrans-58.7-45.1179.7-177.7-90.3000112.1I1131 I1134 Q1136 S1138 E1139 I1144 C1145 K1167I1131-F1141 HydrophobicContact CG1-CE2 4.38Å; I1131-F1141 HydrophobicContact CG2-CE2 3.85Å; I1131-F1141 HydrophobicContact CG2-CZ 4.45Å; I1134-F1141 HydrophobicContact CG2-CB 4.13Å; Q1136-F1141 HydrophobicContact CB-CZ 4.49Å; Q1136-F1141 HydrophobicContact CG-CE2 3.99Å; Q1136-F1141 HydrophobicContact CG-CZ 4.08Å; S1138-F1141 PolarHBondContact O-N 3.26Å; S1138-F1141 WeakPolarHBondContact OG-CB 3.33Å; S1138-F1141 PolarHBondContact OG-N 3.11Å; S1138-F1141 VanDerWaalsContact OG-N 3.12Å; E1139-F1141 VanDerWaalsContact C-N 3.29Å; E1139-F1141 PolarHBondContact O-N 3.38Å; F1141-I1144 PolarHBondContact O-N 3.24Å; F1141-C1145 WeakPolarHBondContact O-CB 3.21Å; F1141-C1145 PolarHBondContact O-N 3.08Å; F1141-C1145 PolarHBondContact O-SG 2.82Å; F1141-K1167 HydrophobicContact CE1-CG 4.38Å; F1141-K1167 HydrophobicContact CZ-CD 4.39Å; F1141-K1167 HydrophobicContact CZ-CG 4.02Å
1142K86.9Confident86.7Confident95 Ų9565.3 Ų65.341%0.41333%0.325SS..Hα-helixtrans-64.5-44.7178.8-68-177.5-177.7173.60111.7E1139 E1140 C1145 Q1146 F1170E1139-K1142 PolarHBondContact O-N 3.39Å; E1140-K1142 VanDerWaalsContact C-N 3.34Å; E1140-K1142 PolarHBondContact O-N 3Å; K1142-C1145 PolarHBondContact O-N 3.45Å; K1142-Q1146 PolarHBondContact O-N 2.89Å; K1142-F1170 HydrophobicContact CB-CE2 4.32Å; K1142-F1170 HydrophobicContact CB-CZ 4.25Å
1143I87.9Confident86.9Confident61 Ų6160.1 Ų60.131%0.31330%0.302SS..Hα-helixtrans-63.2-44.8178.6-65.5168.1000110.7L1118 E1139 E1140 Q1146 L1147L1118-I1143 HydrophobicContact CD1-CG2 4.31Å; L1118-I1143 HydrophobicContact CD2-CG2 4.09Å; E1139-I1143 WeakPolarHBondContact O-CG1 3.38Å; E1139-I1143 PolarHBondContact O-N 3.43Å; E1139-I1143 VanDerWaalsContact O-N 3.1Å; E1140-I1143 PolarHBondContact O-N 2.83Å; I1143-Q1146 PolarHBondContact O-N 3.2Å; I1143-L1147 HydrophobicContact CG2-CD1 4.07Å; I1143-L1147 HydrophobicContact CG2-CG 4.47Å; I1143-L1147 WeakPolarHBondContact O-CG 3.33Å; I1143-L1147 PolarHBondContact O-N 2.65Å
1144I89.8Confident87Confident2 Ų262.3 Ų62.31%0.0132%0.315CS..Hα-helixtrans-67-38.8179.4-66.5167.9000110.8L1118 Y1127 V1130 I1131 I1134 E1140 F1141 L1147 W1148L1118-I1144 HydrophobicContact CD2-CD1 4.14Å; L1118-I1144 HydrophobicContact CD2-CG1 3.56Å; Y1127-I1144 HydrophobicContact CD1-CG2 4.32Å; V1130-I1144 HydrophobicContact CG1-CD1 3.7Å; I1131-I1144 HydrophobicContact CD1-CG2 3.95Å; I1131-I1144 HydrophobicContact CG1-CG2 3.94Å; I1134-I1144 HydrophobicContact CD1-CD1 3.61Å; E1140-I1144 WeakPolarHBondContact O-CB 3Å; E1140-I1144 VanDerWaalsContact O-CG1 3.26Å; E1140-I1144 WeakPolarHBondContact O-CG1 3.24Å; E1140-I1144 PolarHBondContact O-N 2.89Å; F1141-I1144 PolarHBondContact O-N 3.24Å; I1144-L1147 PolarHBondContact O-N 3.31Å; I1144-W1148 VanDerWaalsContact O-CB 3.24Å; I1144-W1148 WeakPolarHBondContact O-CB 3.19Å; I1144-W1148 PolarHBondContact O-N 3.4Å
1145C90.6Very high87Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-61-45173.2-72.30000111.3F1141 K1142 W1148 A1149 I1164F1141-C1145 WeakPolarHBondContact O-CB 3.21Å; F1141-C1145 PolarHBondContact O-N 3.08Å; F1141-C1145 PolarHBondContact O-SG 2.82Å; K1142-C1145 PolarHBondContact O-N 3.45Å; C1145-W1148 PolarHBondContact O-N 3.45Å; C1145-A1149 WeakPolarHBondContact O-CB 3.28Å; C1145-A1149 PolarHBondContact O-N 2.71Å; C1145-I1164 HydrophobicContact CB-CG2 3.83Å; C1145-I1164 WeakPolarHBondContact O-CG2 3.37Å
1146Q89.9Confident87Confident72 Ų7266.9 Ų66.934%0.33633%0.334SS..Hα-helixtrans-60.9-48.9176.1-177.617011.600111.7K1142 I1143 W1148 A1149 D1150 Y1165 F1170K1142-Q1146 PolarHBondContact O-N 2.89Å; I1143-Q1146 PolarHBondContact O-N 3.2Å; Q1146-W1148 VanDerWaalsContact C-N 3.32Å; Q1146-W1148 PolarHBondContact O-N 2.84Å; Q1146-A1149 PolarHBondContact O-N 3.03Å; Q1146-D1150 PolarHBondContact O-N 3.11Å; Q1146-Y1165 HydrophobicContact CG-CE1 4.29Å; Q1146-F1170 HydrophobicContact CB-CE2 4.36Å
1147L90.2Very high87.4Confident47 Ų4764.1 Ų64.125%0.24632%0.323CS..Hα-helixtrans-60.8-39.5176.9-72.5172.7000112.7L1118 Y1127 I1143 I1144 D1150 Y1151L1118-L1147 HydrophobicContact CD2-CD1 4.28Å; Y1127-L1147 HydrophobicContact CE1-CB 4.3Å; I1143-L1147 HydrophobicContact CG2-CD1 4.07Å; I1143-L1147 HydrophobicContact CG2-CG 4.47Å; I1143-L1147 WeakPolarHBondContact O-CG 3.33Å; I1143-L1147 PolarHBondContact O-N 2.65Å; I1144-L1147 PolarHBondContact O-N 3.31Å; L1147-D1150 PolarHBondContact O-N 2.92Å; L1147-Y1151 WeakPolarHBondContact O-CB 3.48Å; L1147-Y1151 PolarHBondContact O-N 2.7Å
1148W92.5Very high87.9Confident51 Ų5158.9 Ų58.919%0.19330%0.295CS..Hα-helixtrans-68-42.4177.8-172.920.1000111.2Y1127 A1128 I1131 I1144 C1145 Q1146 Y1151 L1152 I1164Y1127-W1148 VanDerWaalsContact CB-CG 3.46Å; Y1127-W1148 HydrophobicContact CD1-CB 3.59Å; Y1127-W1148 AromaticContact CD1-CG 3.98Å; Y1127-W1148 HydrophobicContact CD1-CG 3.98Å; Y1127-W1148 AromaticContact CD2-CD1 3.58Å; Y1127-W1148 HydrophobicContact CD2-CG 4.15Å; Y1127-W1148 HydrophobicContact CE1-CB 4.23Å; Y1127-W1148 HydrophobicContact CG-CB 3.79Å; Y1127-W1148 AromaticContact CG-CD1 3.53Å; Y1127-W1148 HydrophobicContact CG-CD2 4.25Å; Y1127-W1148 AromaticContact CG-CG 3.61Å; Y1127-W1148 HydrophobicContact CG-CG 3.61Å; A1128-W1148 HydrophobicContact CB-CH2 4.18Å; A1128-W1148 HydrophobicContact CB-CZ2 4.32Å; I1131-W1148 HydrophobicContact CD1-CD2 4.34Å; I1131-W1148 HydrophobicContact CD1-CE3 3.24Å; I1131-W1148 HydrophobicContact CD1-CZ3 3.51Å; I1144-W1148 VanDerWaalsContact O-CB 3.24Å; I1144-W1148 WeakPolarHBondContact O-CB 3.19Å; I1144-W1148 PolarHBondContact O-N 3.4Å; C1145-W1148 PolarHBondContact O-N 3.45Å; Q1146-W1148 VanDerWaalsContact C-N 3.32Å; Q1146-W1148 PolarHBondContact O-N 2.84Å; W1148-Y1151 PolarHBondContact O-N 2.6Å; W1148-L1152 HydrophobicContact CD2-CD1 4.35Å; W1148-L1152 HydrophobicContact CG-CD1 4.18Å; W1148-L1152 WeakPolarHBondContact O-CB 3.46Å; W1148-L1152 VanDerWaalsContact O-CG 3.24Å; W1148-L1152 WeakPolarHBondContact O-CG 3.5Å; W1148-L1152 PolarHBondContact O-N 2.93Å; W1148-I1164 HydrophobicContact CB-CG2 4.19Å; W1148-I1164 HydrophobicContact CD2-CD1 4.11Å; W1148-I1164 HydrophobicContact CD2-CG1 3.9Å; W1148-I1164 HydrophobicContact CD2-CG2 4.28Å; W1148-I1164 HydrophobicContact CE3-CB 4.43Å; W1148-I1164 HydrophobicContact CE3-CD1 3.4Å; W1148-I1164 VanDerWaalsContact CE3-CD1 3.4Å; W1148-I1164 HydrophobicContact CE3-CG1 3.65Å; W1148-I1164 HydrophobicContact CE3-CG2 3.84Å; W1148-I1164 HydrophobicContact CG-CG2 4.43Å; W1148-I1164 HydrophobicContact CH2-CD1 3.8Å; W1148-I1164 HydrophobicContact CZ2-CD1 4.39Å; W1148-I1164 HydrophobicContact CZ3-CD1 3.25Å; W1148-I1164 HydrophobicContact CZ3-CG1 4.01Å
1149A91.2Very high88.2Confident0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-62-43.5174.700000111.6C1145 Q1146 Y1151 L1152 I1153 A1161 I1164 Y1165C1145-A1149 WeakPolarHBondContact O-CB 3.28Å; C1145-A1149 PolarHBondContact O-N 2.71Å; Q1146-A1149 PolarHBondContact O-N 3.03Å; A1149-Y1151 PolarHBondContact O-N 2.81Å; A1149-L1152 CarbonylContact O-C 3.53Å; A1149-L1152 PolarHBondContact O-N 3.25Å; A1149-L1152 VanDerWaalsContact O-N 3.16Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.42Å; A1149-I1153 PolarHBondContact O-N 3.49Å; A1149-A1161 HydrophobicContact CB-CB 4.32Å; A1149-A1161 WeakPolarHBondContact O-CB 3.32Å; A1149-I1164 HydrophobicContact CB-CB 4.26Å; A1149-I1164 HydrophobicContact CB-CG2 4.16Å; A1149-Y1165 HydrophobicContact CB-CD1 3.61Å; A1149-Y1165 HydrophobicContact CB-CD2 3.92Å; A1149-Y1165 HydrophobicContact CB-CE1 3.43Å; A1149-Y1165 VanDerWaalsContact CB-CE1 3.43Å; A1149-Y1165 HydrophobicContact CB-CE2 3.79Å; A1149-Y1165 HydrophobicContact CB-CG 3.83Å
1150D90.1Very high88.7Confident64 Ų6460.9 Ų60.934%0.34230%0.299SS..Hα-helixtrans-61.6-42.5176.1-65.6-12.1000111.7Q1146 L1147 L1152 I1153 T1154 Y1165Q1146-D1150 PolarHBondContact O-N 3.11Å; L1147-D1150 PolarHBondContact O-N 2.92Å; D1150-L1152 VanDerWaalsContact C-N 3.34Å; D1150-I1153 PolarHBondContact O-N 3.31Å; D1150-T1154 PolarHBondContact O-N 3.11Å; D1150-T1154 PolarHBondContact O-OG1 3.12Å; D1150-Y1165 PolarHBondContact OD1-OH 3.18Å
1151Y90Very high89.2Confident91 Ų9158.4 Ų58.436%0.35729%0.287SS..Hα-helixtrans-61.8-42.2173.7171.8-101.8000111.8N1125 Y1127 L1147 W1148 A1149 T1154 S1155N1125-Y1151 VanDerWaalsContact OD1-CE2 3.29Å; N1125-Y1151 WeakPolarHBondContact OD1-CE2 3.41Å; Y1127-Y1151 HydrophobicContact CD2-CD1 4.39Å; Y1127-Y1151 AromaticContact CE2-CD1 3.81Å; Y1127-Y1151 HydrophobicContact CE2-CD1 3.81Å; Y1127-Y1151 HydrophobicContact CE2-CE1 4.32Å; Y1127-Y1151 AromaticContact CE2-CG 3.94Å; Y1127-Y1151 HydrophobicContact CE2-CG 3.94Å; L1147-Y1151 WeakPolarHBondContact O-CB 3.48Å; L1147-Y1151 PolarHBondContact O-N 2.7Å; W1148-Y1151 PolarHBondContact O-N 2.6Å; A1149-Y1151 PolarHBondContact O-N 2.81Å; Y1151-T1154 PolarHBondContact O-N 3.29Å; Y1151-S1155 PolarHBondContact O-N 2.93Å; Y1151-S1155 PolarHBondContact O-OG 2.76Å
1152L91.1Very high89.3Confident16 Ų1658.1 Ų58.18%0.08429%0.286CS..Hα-helixtrans-66.1-37.4176.9-73.1169.1000112.1W1148 A1149 D1150 S1155 Q1156 N1157 A1161 I1164W1148-L1152 HydrophobicContact CD2-CD1 4.35Å; W1148-L1152 HydrophobicContact CG-CD1 4.18Å; W1148-L1152 WeakPolarHBondContact O-CB 3.46Å; W1148-L1152 VanDerWaalsContact O-CG 3.24Å; W1148-L1152 WeakPolarHBondContact O-CG 3.5Å; W1148-L1152 PolarHBondContact O-N 2.93Å; A1149-L1152 CarbonylContact O-C 3.53Å; A1149-L1152 PolarHBondContact O-N 3.25Å; A1149-L1152 VanDerWaalsContact O-N 3.16Å; D1150-L1152 VanDerWaalsContact C-N 3.34Å; L1152-S1155 VanDerWaalsContact CA-OG 3.29Å; L1152-S1155 WeakPolarHBondContact CA-OG 3.26Å; L1152-S1155 CarbonylContact O-C 3.6Å; L1152-S1155 PolarHBondContact O-N 2.87Å; L1152-S1155 PolarHBondContact O-OG 3.01Å; L1152-S1155 VanDerWaalsContact O-OG 3.06Å; L1152-Q1156 PolarHBondContact O-N 2.98Å; L1152-N1157 HydrophobicContact CB-CB 4.39Å; L1152-N1157 HydrophobicContact CD2-CB 3.96Å; L1152-N1157 WeakPolarHBondContact O-CA 3.48Å; L1152-N1157 PolarHBondContact O-N 3.35Å; L1152-A1161 HydrophobicContact CB-CB 3.74Å; L1152-I1164 HydrophobicContact CD1-CG1 3.85Å
1153I89.5Confident89.6Confident59 Ų5957.4 Ų57.430%0.30328%0.284SS..Hα-helixtrans-62.7-46.9172.1-70.9163.3000110.3A1149 D1150 S1155 Q1156 L1158 A1161 Y1165 T1177A1149-I1153 WeakPolarHBondContact O-CG1 3.42Å; A1149-I1153 PolarHBondContact O-N 3.49Å; D1150-I1153 PolarHBondContact O-N 3.31Å; I1153-S1155 PolarHBondContact O-N 3.06Å; I1153-Q1156 WeakPolarHBondContact O-CA 3.33Å; I1153-Q1156 PolarHBondContact O-N 3.43Å; I1153-L1158 HydrophobicContact CB-CD2 4.43Å; I1153-L1158 HydrophobicContact CG1-CD2 4.14Å; I1153-L1158 HydrophobicContact CG2-CD2 4.18Å; I1153-A1161 HydrophobicContact CD1-CB 4.29Å; I1153-A1161 HydrophobicContact CG1-CB 3.6Å; I1153-Y1165 HydrophobicContact CD1-CE2 3.76Å; I1153-T1177 HydrophobicContact CD1-CG2 3.8Å; I1153-T1177 HydrophobicContact CG1-CG2 4.03Å
1154T87.8Confident89.8Confident120 Ų12055.4 Ų55.474%0.73627%0.273SS*.Hα-helixtrans-61-34.4179.9-50.50000111.5D1150 Y1151 Q1156D1150-T1154 PolarHBondContact O-N 3.11Å; D1150-T1154 PolarHBondContact O-OG1 3.12Å; Y1151-T1154 PolarHBondContact O-N 3.29Å; T1154-Q1156 VanDerWaalsContact C-N 3.28Å; T1154-Q1156 PolarHBondContact O-N 2.95Å
1155S84.6Confident89.9Confident51 Ų5155.9 Ų55.936%0.35728%0.275SS..THydrogen-bonded Turntrans-84.59.4174.354.70000114.6Y1151 L1152 I1153 N1157Y1151-S1155 PolarHBondContact O-N 2.93Å; Y1151-S1155 PolarHBondContact O-OG 2.76Å; L1152-S1155 VanDerWaalsContact CA-OG 3.29Å; L1152-S1155 WeakPolarHBondContact CA-OG 3.26Å; L1152-S1155 CarbonylContact O-C 3.6Å; L1152-S1155 PolarHBondContact O-N 2.87Å; L1152-S1155 PolarHBondContact O-OG 3.01Å; L1152-S1155 VanDerWaalsContact O-OG 3.06Å; I1153-S1155 PolarHBondContact O-N 3.06Å; S1155-N1157 PolarHBondContact O-N 3Å
1156Q84Confident89.9Confident156 Ų15657.7 Ų57.773%0.72928%0.284SS*.THydrogen-bonded Turntrans62.715.4-177.9-60.5-166.6-22.100115.9L1152 I1153 T1154 L1158L1152-Q1156 PolarHBondContact O-N 2.98Å; I1153-Q1156 WeakPolarHBondContact O-CA 3.33Å; I1153-Q1156 PolarHBondContact O-N 3.43Å; T1154-Q1156 VanDerWaalsContact C-N 3.28Å; T1154-Q1156 PolarHBondContact O-N 2.95Å; Q1156-L1158 VanDerWaalsContact C-N 3.3Å; Q1156-L1158 PolarHBondContact O-N 2.84Å; Q1156-L1158 VanDerWaalsContact O-N 3.14Å
1157N87.5Confident89.8Confident77 Ų7759.7 Ų59.741%0.41229%0.292SS..  trans-88.262.9173.6-91.3-34.2000111.7L1152 S1155 I1159 Y1160 A1161L1152-N1157 HydrophobicContact CB-CB 4.39Å; L1152-N1157 HydrophobicContact CD2-CB 3.96Å; L1152-N1157 WeakPolarHBondContact O-CA 3.48Å; L1152-N1157 PolarHBondContact O-N 3.35Å; S1155-N1157 PolarHBondContact O-N 3Å; N1157-I1159 VanDerWaalsContact C-N 3.33Å; N1157-I1159 PolarHBondContact O-N 2.82Å; N1157-Y1160 HydrophobicContact CB-CD2 4.17Å; N1157-Y1160 PolarHBondContact O-N 3.22Å; N1157-A1161 PolarHBondContact O-N 2.96Å
1158L89.6Confident89.6Confident51 Ų5157.7 Ų57.727%0.26728%0.282SS..Hα-helixtrans-61.8-34.6-173-60.7173.7000114.1I1153 Q1156 A1161 G1162 A1181I1153-L1158 HydrophobicContact CB-CD2 4.43Å; I1153-L1158 HydrophobicContact CG1-CD2 4.14Å; I1153-L1158 HydrophobicContact CG2-CD2 4.18Å; Q1156-L1158 VanDerWaalsContact C-N 3.3Å; Q1156-L1158 PolarHBondContact O-N 2.84Å; Q1156-L1158 VanDerWaalsContact O-N 3.14Å; L1158-A1161 PolarHBondContact O-N 3.23Å; L1158-G1162 PolarHBondContact O-N 3.01Å; L1158-A1181 HydrophobicContact CB-CB 3.83Å; L1158-A1181 HydrophobicContact CD1-CB 4.42Å
1159I90.1Very high89.3Confident72 Ų7256.4 Ų56.437%0.36929%0.285SS..Hα-helixtrans-65.7-49.5179.5-62.5174.9000110N1157 A1161 G1162 Q1163 F1178 A1181 L1186N1157-I1159 VanDerWaalsContact C-N 3.33Å; N1157-I1159 PolarHBondContact O-N 2.82Å; I1159-A1161 VanDerWaalsContact C-N 3.34Å; I1159-A1161 PolarHBondContact O-N 2.76Å; I1159-G1162 PolarHBondContact O-N 3.11Å; I1159-Q1163 WeakPolarHBondContact O-CG 3.49Å; I1159-Q1163 PolarHBondContact O-N 2.81Å; I1159-F1178 WeakPolarHBondContact O-CE1 3.24Å; I1159-A1181 HydrophobicContact CG1-CB 4.11Å; I1159-L1186 HydrophobicContact CG2-CD1 3.93Å
1160Y90Very high89.2Confident136 Ų13657 Ų5753%0.53329%0.288SS..Hα-helixtrans-64.5-40.7177.7-66.5-66.8000111.1N1157 G1162 Q1163 I1164N1157-Y1160 HydrophobicContact CB-CD2 4.17Å; N1157-Y1160 PolarHBondContact O-N 3.22Å; Y1160-G1162 VanDerWaalsContact C-N 3.33Å; Y1160-G1162 PolarHBondContact O-N 3Å; Y1160-Q1163 PolarHBondContact O-N 2.8Å; Y1160-Q1163 VanDerWaalsContact O-N 3.14Å; Y1160-I1164 WeakPolarHBondContact O-CG1 3.37Å; Y1160-I1164 PolarHBondContact O-N 2.87Å
1161A92Very high89.2Confident0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-56.3-47.2174.800000112.3A1149 L1152 I1153 N1157 L1158 I1159 Q1163 I1164 Y1165A1149-A1161 HydrophobicContact CB-CB 4.32Å; A1149-A1161 WeakPolarHBondContact O-CB 3.32Å; L1152-A1161 HydrophobicContact CB-CB 3.74Å; I1153-A1161 HydrophobicContact CD1-CB 4.29Å; I1153-A1161 HydrophobicContact CG1-CB 3.6Å; N1157-A1161 PolarHBondContact O-N 2.96Å; L1158-A1161 PolarHBondContact O-N 3.23Å; I1159-A1161 VanDerWaalsContact C-N 3.34Å; I1159-A1161 PolarHBondContact O-N 2.76Å; A1161-Q1163 VanDerWaalsContact C-N 3.33Å; A1161-Q1163 PolarHBondContact O-N 2.84Å; A1161-I1164 PolarHBondContact O-N 3.17Å; A1161-Y1165 WeakPolarHBondContact O-CD2 3.31Å; A1161-Y1165 PolarHBondContact O-N 2.69Å
1162G91Very high89.1Confident0 Ų052.3 Ų52.30%027%0.265CS..Hα-helixtrans-61.6-39176.300000112.9L1158 I1159 Y1160 Y1165 M1166 A1174 F1178L1158-G1162 PolarHBondContact O-N 3.01Å; I1159-G1162 PolarHBondContact O-N 3.11Å; Y1160-G1162 VanDerWaalsContact C-N 3.33Å; Y1160-G1162 PolarHBondContact O-N 3Å; G1162-Y1165 PolarHBondContact O-N 3.34Å; G1162-M1166 PolarHBondContact O-N 2.81Å; G1162-A1174 WeakPolarHBondContact O-CB 3.13Å; G1162-F1178 WeakPolarHBondContact O-CZ 3.44Å
1163Q92.8Very high89.1Confident80 Ų8053.1 Ų53.137%0.37427%0.269SS..Hα-helixtrans-66.2-39.4175.9-72.4178.1-26.400112.1I1159 Y1160 A1161 M1166 K1167 F1178 L1186I1159-Q1163 WeakPolarHBondContact O-CG 3.49Å; I1159-Q1163 PolarHBondContact O-N 2.81Å; Y1160-Q1163 PolarHBondContact O-N 2.8Å; Y1160-Q1163 VanDerWaalsContact O-N 3.14Å; A1161-Q1163 VanDerWaalsContact C-N 3.33Å; A1161-Q1163 PolarHBondContact O-N 2.84Å; Q1163-M1166 WeakPolarHBondContact O-CB 3.25Å; Q1163-M1166 PolarHBondContact O-N 3.06Å; Q1163-K1167 PolarHBondContact O-N 2.83Å; Q1163-F1178 HydrophobicContact CG-CE1 4.33Å; Q1163-F1178 HydrophobicContact CG-CZ 4.13Å; Q1163-L1186 HydrophobicContact CG-CD1 4.06Å
1164I92Very high89.2Confident18 Ų1850.3 Ų50.39%0.09226%0.255CS..Hα-helixtrans-67-41.1175-63.6-47.7000110.9C1145 W1148 A1149 L1152 Y1160 A1161 M1166 K1167 G1168C1145-I1164 HydrophobicContact CB-CG2 3.83Å; C1145-I1164 WeakPolarHBondContact O-CG2 3.37Å; W1148-I1164 HydrophobicContact CB-CG2 4.19Å; W1148-I1164 HydrophobicContact CD2-CD1 4.11Å; W1148-I1164 HydrophobicContact CD2-CG1 3.9Å; W1148-I1164 HydrophobicContact CD2-CG2 4.28Å; W1148-I1164 HydrophobicContact CE3-CB 4.43Å; W1148-I1164 HydrophobicContact CE3-CD1 3.4Å; W1148-I1164 VanDerWaalsContact CE3-CD1 3.4Å; W1148-I1164 HydrophobicContact CE3-CG1 3.65Å; W1148-I1164 HydrophobicContact CE3-CG2 3.84Å; W1148-I1164 HydrophobicContact CG-CG2 4.43Å; W1148-I1164 HydrophobicContact CH2-CD1 3.8Å; W1148-I1164 HydrophobicContact CZ2-CD1 4.39Å; W1148-I1164 HydrophobicContact CZ3-CD1 3.25Å; W1148-I1164 HydrophobicContact CZ3-CG1 4.01Å; A1149-I1164 HydrophobicContact CB-CB 4.26Å; A1149-I1164 HydrophobicContact CB-CG2 4.16Å; L1152-I1164 HydrophobicContact CD1-CG1 3.85Å; Y1160-I1164 WeakPolarHBondContact O-CG1 3.37Å; Y1160-I1164 PolarHBondContact O-N 2.87Å; A1161-I1164 PolarHBondContact O-N 3.17Å; I1164-M1166 VanDerWaalsContact C-N 3.33Å; I1164-M1166 PolarHBondContact O-N 3.03Å; I1164-K1167 WeakPolarHBondContact O-CB 3.47Å; I1164-K1167 PolarHBondContact O-N 3.22Å; I1164-K1167 VanDerWaalsContact O-N 3.13Å; I1164-G1168 PolarHBondContact O-N 2.93Å
1165Y92.1Very high89.3Confident13 Ų1344.6 Ų44.65%0.05122%0.22CC..Hα-helixtrans-59.7-42.6171.9-78.5-45.7000112.4Q1146 A1149 D1150 I1153 A1161 G1162 K1167 G1168 G1169 F1170 L1173 T1177Q1146-Y1165 HydrophobicContact CG-CE1 4.29Å; A1149-Y1165 HydrophobicContact CB-CD1 3.61Å; A1149-Y1165 HydrophobicContact CB-CD2 3.92Å; A1149-Y1165 HydrophobicContact CB-CE1 3.43Å; A1149-Y1165 VanDerWaalsContact CB-CE1 3.43Å; A1149-Y1165 HydrophobicContact CB-CE2 3.79Å; A1149-Y1165 HydrophobicContact CB-CG 3.83Å; D1150-Y1165 PolarHBondContact OD1-OH 3.18Å; I1153-Y1165 HydrophobicContact CD1-CE2 3.76Å; A1161-Y1165 WeakPolarHBondContact O-CD2 3.31Å; A1161-Y1165 PolarHBondContact O-N 2.69Å; G1162-Y1165 PolarHBondContact O-N 3.34Å; Y1165-K1167 VanDerWaalsContact C-N 3.3Å; Y1165-K1167 PolarHBondContact O-N 2.73Å; Y1165-G1168 CarbonylContact O-C 3.56Å; Y1165-G1168 PolarHBondContact O-N 2.8Å; Y1165-G1169 PolarHBondContact O-N 2.85Å; Y1165-G1169 VanDerWaalsContact O-N 3.13Å; Y1165-F1170 HydrophobicContact CD1-CB 4.16Å; Y1165-F1170 HydrophobicContact CD1-CD2 4.27Å; Y1165-F1170 HydrophobicContact CD1-CG 4.47Å; Y1165-F1170 PolarHBondContact O-N 3.25Å; Y1165-L1173 HydrophobicContact CD1-CB 4.29Å; Y1165-L1173 HydrophobicContact CD1-CD1 4.27Å; Y1165-L1173 HydrophobicContact CD2-CB 4.05Å; Y1165-L1173 HydrophobicContact CE1-CB 4.45Å; Y1165-L1173 HydrophobicContact CE1-CD1 3.93Å; Y1165-L1173 HydrophobicContact CE2-CB 4.16Å; Y1165-L1173 HydrophobicContact CG-CB 4.12Å; Y1165-T1177 HydrophobicContact CD2-CG2 4.37Å; Y1165-T1177 HydrophobicContact CE2-CG2 4.13Å
1166M90Very high89.6Confident37 Ų3746.1 Ų46.118%0.18222%0.22CC..Hα-helixtrans-58.8-44.2173.5-78.8-171.161.700111.4G1162 Q1163 I1164 G1168 G1169 Y1171 A1174 F1178 I1189 A1190G1162-M1166 PolarHBondContact O-N 2.81Å; Q1163-M1166 WeakPolarHBondContact O-CB 3.25Å; Q1163-M1166 PolarHBondContact O-N 3.06Å; I1164-M1166 VanDerWaalsContact C-N 3.33Å; I1164-M1166 PolarHBondContact O-N 3.03Å; M1166-G1168 VanDerWaalsContact C-N 3.27Å; M1166-G1168 PolarHBondContact O-N 3.21Å; M1166-G1169 PolarHBondContact O-N 3.33Å; M1166-Y1171 HydrophobicContact CB-CE1 4.42Å; M1166-Y1171 HydrophobicContact CE-CE1 4.21Å; M1166-Y1171 HydrophobicContact CG-CD1 4.17Å; M1166-Y1171 HydrophobicContact CG-CE1 4.4Å; M1166-A1174 HydrophobicContact CG-CB 3.6Å; M1166-F1178 HydrophobicContact CG-CE2 3.94Å; M1166-F1178 HydrophobicContact CG-CZ 4.4Å; M1166-F1178 HydrophobicContact SD-CE2 3.61Å; M1166-F1178 HydrophobicContact SD-CZ 4.03Å; M1166-I1189 HydrophobicContact CE-CG2 3.64Å; M1166-A1190 HydrophobicContact SD-CB 4.43Å
1167K87.7Confident90Very high114 Ų11439.2 Ų39.250%0.49619%0.188SC..Hα-helixtrans-63.6-33.9178.6-169167.7-179.5173.20112F1141 Q1163 I1164 Y1165 G1169F1141-K1167 HydrophobicContact CE1-CG 4.38Å; F1141-K1167 HydrophobicContact CZ-CD 4.39Å; F1141-K1167 HydrophobicContact CZ-CG 4.02Å; Q1163-K1167 PolarHBondContact O-N 2.83Å; I1164-K1167 WeakPolarHBondContact O-CB 3.47Å; I1164-K1167 PolarHBondContact O-N 3.22Å; I1164-K1167 VanDerWaalsContact O-N 3.13Å; Y1165-K1167 VanDerWaalsContact C-N 3.3Å; Y1165-K1167 PolarHBondContact O-N 2.73Å; K1167-G1169 VanDerWaalsContact C-N 3.3Å; K1167-G1169 PolarHBondContact O-N 2.75Å
1168G87Confident90.3Very high5 Ų535.6 Ų35.65%0.05217%0.169CC..THydrogen-bonded Turntrans-78-4.3173.100000115.3I1164 Y1165 M1166I1164-G1168 PolarHBondContact O-N 2.93Å; Y1165-G1168 CarbonylContact O-C 3.56Å; Y1165-G1168 PolarHBondContact O-N 2.8Å; M1166-G1168 VanDerWaalsContact C-N 3.27Å; M1166-G1168 PolarHBondContact O-N 3.21Å
1169G85.6Confident90.3Very high24 Ų2434.9 Ų34.925%0.24717%0.165CC..THydrogen-bonded Turntrans79.719.2-177.700000114.9Y1165 M1166 K1167 Y1171 H1209Y1165-G1169 PolarHBondContact O-N 2.85Å; Y1165-G1169 VanDerWaalsContact O-N 3.13Å; M1166-G1169 PolarHBondContact O-N 3.33Å; K1167-G1169 VanDerWaalsContact C-N 3.3Å; K1167-G1169 PolarHBondContact O-N 2.75Å; G1169-Y1171 PolarHBondContact O-N 2.96Å; G1169-H1209 PolarHBondContact O-ND1 2.82Å; G1169-H1209 VanDerWaalsContact O-ND1 3.07Å
1170F89.6Confident90.3Very high14 Ų1434.5 Ų34.56%0.06117%0.169CC..  trans-98.565.8178-57-80000110.9K1142 Q1146 Y1165 G1172 L1173 A1174 H1209K1142-F1170 HydrophobicContact CB-CE2 4.32Å; K1142-F1170 HydrophobicContact CB-CZ 4.25Å; Q1146-F1170 HydrophobicContact CB-CE2 4.36Å; Y1165-F1170 HydrophobicContact CD1-CB 4.16Å; Y1165-F1170 HydrophobicContact CD1-CD2 4.27Å; Y1165-F1170 HydrophobicContact CD1-CG 4.47Å; Y1165-F1170 PolarHBondContact O-N 3.25Å; F1170-G1172 VanDerWaalsContact C-N 3.33Å; F1170-G1172 PolarHBondContact O-N 3.29Å; F1170-L1173 HydrophobicContact CB-CB 4.23Å; F1170-L1173 HydrophobicContact CB-CD1 4.22Å; F1170-L1173 HydrophobicContact CD1-CD1 4.5Å; F1170-L1173 PolarHBondContact O-N 3.45Å; F1170-A1174 WeakPolarHBondContact O-CB 3.17Å; F1170-A1174 PolarHBondContact O-N 3.18Å; F1170-H1209 AromaticContact CD1-CE1 3.23Å; F1170-H1209 WeakPolarHBondContact CD1-CE1 3.27Å; F1170-H1209 AromaticContact CD1-ND1 3.58Å; F1170-H1209 AromaticContact CD1-NE2 3.79Å; F1170-H1209 AromaticContact CE1-CE1 3.16Å; F1170-H1209 WeakPolarHBondContact CE1-CE1 3.28Å; F1170-H1209 AromaticContact CE1-ND1 3.99Å; F1170-H1209 AromaticContact CE1-NE2 3.5Å
1171Y89.2Confident90.2Very high56 Ų5629 Ų2922%0.2215%0.152CC..Hα-helixtrans-67.4-31.1-172.4-59.8-76.6000113.5M1166 G1169 A1174 A1175 N1193 L1197 H1209M1166-Y1171 HydrophobicContact CB-CE1 4.42Å; M1166-Y1171 HydrophobicContact CE-CE1 4.21Å; M1166-Y1171 HydrophobicContact CG-CD1 4.17Å; M1166-Y1171 HydrophobicContact CG-CE1 4.4Å; G1169-Y1171 PolarHBondContact O-N 2.96Å; Y1171-A1174 PolarHBondContact O-N 3.38Å; Y1171-A1175 WeakPolarHBondContact O-CB 3.17Å; Y1171-A1175 PolarHBondContact O-N 3.21Å; Y1171-N1193 HydrophobicContact CD1-CB 3.63Å; Y1171-N1193 HydrophobicContact CD2-CB 4.42Å; Y1171-N1193 HydrophobicContact CE1-CB 3.77Å; Y1171-N1193 HydrophobicContact CG-CB 3.97Å; Y1171-L1197 HydrophobicContact CD2-CD1 3.23Å; Y1171-L1197 HydrophobicContact CE2-CD1 3.57Å; Y1171-L1197 HydrophobicContact CG-CD1 4.31Å; Y1171-H1209 PolarHBondContact N-O 3.23Å
1172G88Confident90Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-63-49.3174.300000112.5F1170 K1176 H1209F1170-G1172 VanDerWaalsContact C-N 3.33Å; F1170-G1172 PolarHBondContact O-N 3.29Å; G1172-K1176 WeakPolarHBondContact O-CG 3.24Å; G1172-K1176 PolarHBondContact O-N 3.39Å; G1172-H1209 PolarHBondContact N-O 3.18Å; G1172-H1209 VanDerWaalsContact N-O 3.15Å
1173L90.3Very high90Very high33 Ų3331.7 Ų31.717%0.17317%0.167CC..Hα-helixtrans-61.9-46.8172.3-70.2175.7000111.3Y1165 F1170 A1175 K1176 T1177 D1208Y1165-L1173 HydrophobicContact CD1-CB 4.29Å; Y1165-L1173 HydrophobicContact CD1-CD1 4.27Å; Y1165-L1173 HydrophobicContact CD2-CB 4.05Å; Y1165-L1173 HydrophobicContact CE1-CB 4.45Å; Y1165-L1173 HydrophobicContact CE1-CD1 3.93Å; Y1165-L1173 HydrophobicContact CE2-CB 4.16Å; Y1165-L1173 HydrophobicContact CG-CB 4.12Å; F1170-L1173 HydrophobicContact CB-CB 4.23Å; F1170-L1173 HydrophobicContact CB-CD1 4.22Å; F1170-L1173 HydrophobicContact CD1-CD1 4.5Å; F1170-L1173 PolarHBondContact O-N 3.45Å; L1173-A1175 VanDerWaalsContact C-N 3.34Å; L1173-A1175 PolarHBondContact O-N 3.26Å; L1173-K1176 WeakPolarHBondContact O-CB 3.49Å; L1173-K1176 PolarHBondContact O-N 2.91Å; L1173-K1176 VanDerWaalsContact O-N 3.11Å; L1173-T1177 PolarHBondContact O-N 2.82Å; L1173-T1177 PolarHBondContact O-OG1 3.28Å; L1173-D1208 HydrophobicContact CD1-CB 4.08Å; L1173-D1208 HydrophobicContact CG-CB 4.07Å; L1173-D1208 PolarHBondContact N-O 3Å; L1173-D1208 VanDerWaalsContact N-O 3.16Å
1174A91.8Very high89.8Confident0 Ų028.1 Ų28.10%015%0.151CC..Hα-helixtrans-54-49.4178.800000112G1162 M1166 F1170 Y1171 K1176 T1177 F1178 A1190G1162-A1174 WeakPolarHBondContact O-CB 3.13Å; M1166-A1174 HydrophobicContact CG-CB 3.6Å; F1170-A1174 WeakPolarHBondContact O-CB 3.17Å; F1170-A1174 PolarHBondContact O-N 3.18Å; Y1171-A1174 PolarHBondContact O-N 3.38Å; A1174-K1176 PolarHBondContact O-N 2.63Å; A1174-T1177 VanDerWaalsContact CA-OG1 3.26Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.41Å; A1174-T1177 PolarHBondContact O-N 2.68Å; A1174-T1177 PolarHBondContact O-OG1 2.53Å; A1174-F1178 HydrophobicContact CB-CD2 4.36Å; A1174-F1178 HydrophobicContact CB-CE2 3.98Å; A1174-F1178 WeakPolarHBondContact O-CD2 3.4Å; A1174-F1178 WeakPolarHBondContact O-CG 3.38Å; A1174-F1178 PolarHBondContact O-N 3.33Å; A1174-A1190 HydrophobicContact CB-CB 4.29Å
1175A90.7Very high89.7Confident0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-60.8-43177.500000112.1Y1171 L1173 T1177 F1178 L1179 W1187 A1190 L1211Y1171-A1175 WeakPolarHBondContact O-CB 3.17Å; Y1171-A1175 PolarHBondContact O-N 3.21Å; L1173-A1175 VanDerWaalsContact C-N 3.34Å; L1173-A1175 PolarHBondContact O-N 3.26Å; A1175-T1177 PolarHBondContact O-N 2.98Å; A1175-F1178 PolarHBondContact O-N 3.05Å; A1175-L1179 WeakPolarHBondContact O-CB 3.32Å; A1175-L1179 PolarHBondContact O-N 3.1Å; A1175-W1187 VanDerWaalsContact O-CD1 3.29Å; A1175-A1190 HydrophobicContact CB-CB 3.87Å; A1175-L1211 HydrophobicContact CB-CD1 3.44Å; A1175-L1211 VanDerWaalsContact CB-CD1 3.44Å
1176K91.3Very high89.6Confident83 Ų8334.7 Ų34.736%0.36118%0.182SC..Hα-helixtrans-60.5-43.6174.1-69.7170.1-176.41690111.6G1172 L1173 A1174 L1179 S1180G1172-K1176 WeakPolarHBondContact O-CG 3.24Å; G1172-K1176 PolarHBondContact O-N 3.39Å; L1173-K1176 WeakPolarHBondContact O-CB 3.49Å; L1173-K1176 PolarHBondContact O-N 2.91Å; L1173-K1176 VanDerWaalsContact O-N 3.11Å; A1174-K1176 PolarHBondContact O-N 2.63Å; K1176-L1179 PolarHBondContact O-N 3.25Å; K1176-S1180 PolarHBondContact O-N 2.84Å
1177T91.5Very high89.8Confident11 Ų1132.9 Ų32.97%0.06717%0.173CC..Hα-helixtrans-62.8-45.4174.319.50000112.3I1153 Y1165 L1173 A1174 A1175 L1179 S1180 A1181I1153-T1177 HydrophobicContact CD1-CG2 3.8Å; I1153-T1177 HydrophobicContact CG1-CG2 4.03Å; Y1165-T1177 HydrophobicContact CD2-CG2 4.37Å; Y1165-T1177 HydrophobicContact CE2-CG2 4.13Å; L1173-T1177 PolarHBondContact O-N 2.82Å; L1173-T1177 PolarHBondContact O-OG1 3.28Å; A1174-T1177 VanDerWaalsContact CA-OG1 3.26Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.41Å; A1174-T1177 PolarHBondContact O-N 2.68Å; A1174-T1177 PolarHBondContact O-OG1 2.53Å; A1175-T1177 PolarHBondContact O-N 2.98Å; T1177-L1179 VanDerWaalsContact C-N 3.32Å; T1177-L1179 PolarHBondContact O-N 2.95Å; T1177-S1180 PolarHBondContact O-N 2.83Å; T1177-S1180 VanDerWaalsContact O-N 3.15Å; T1177-S1180 PolarHBondContact O-OG 3.4Å; T1177-A1181 WeakPolarHBondContact O-CB 3.36Å; T1177-A1181 PolarHBondContact O-N 2.75Å
1178F93.1Very high90Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-66.8-33.5179.1-65.6-47.1000112.9I1159 G1162 Q1163 M1166 A1174 A1175 A1181 T1182 N1183 L1186 W1187 A1190I1159-F1178 WeakPolarHBondContact O-CE1 3.24Å; G1162-F1178 WeakPolarHBondContact O-CZ 3.44Å; Q1163-F1178 HydrophobicContact CG-CE1 4.33Å; Q1163-F1178 HydrophobicContact CG-CZ 4.13Å; M1166-F1178 HydrophobicContact CG-CE2 3.94Å; M1166-F1178 HydrophobicContact CG-CZ 4.4Å; M1166-F1178 HydrophobicContact SD-CE2 3.61Å; M1166-F1178 HydrophobicContact SD-CZ 4.03Å; A1174-F1178 HydrophobicContact CB-CD2 4.36Å; A1174-F1178 HydrophobicContact CB-CE2 3.98Å; A1174-F1178 WeakPolarHBondContact O-CD2 3.4Å; A1174-F1178 WeakPolarHBondContact O-CG 3.38Å; A1174-F1178 PolarHBondContact O-N 3.33Å; A1175-F1178 PolarHBondContact O-N 3.05Å; F1178-A1181 CarbonylContact O-C 3.59Å; F1178-A1181 PolarHBondContact O-N 2.95Å; F1178-T1182 PolarHBondContact O-N 3.35Å; F1178-N1183 HydrophobicContact CD1-CB 4.36Å; F1178-N1183 PolarHBondContact O-N 3.13Å; F1178-L1186 HydrophobicContact CD1-CB 3.74Å; F1178-L1186 HydrophobicContact CD1-CD1 4.04Å; F1178-L1186 HydrophobicContact CD2-CB 3.8Å; F1178-L1186 HydrophobicContact CE1-CB 3.68Å; F1178-L1186 HydrophobicContact CE1-CD1 3.43Å; F1178-L1186 VanDerWaalsContact CE1-CD1 3.43Å; F1178-L1186 HydrophobicContact CE1-CG 4.17Å; F1178-L1186 HydrophobicContact CE2-CB 3.75Å; F1178-L1186 HydrophobicContact CG-CB 3.8Å; F1178-L1186 HydrophobicContact CZ-CB 3.67Å; F1178-L1186 HydrophobicContact CZ-CD1 3.82Å; F1178-L1186 HydrophobicContact CZ-CG 4.24Å; F1178-W1187 HydrophobicContact CB-CB 3.9Å; F1178-A1190 HydrophobicContact CD2-CB 3.93Å; F1178-A1190 HydrophobicContact CE2-CB 4.14Å
1179L91.4Very high90.1Very high37 Ų3731.9 Ų31.919%0.19417%0.173CC..Hα-helixtrans-61.3-46.2171-17771000110.6A1175 K1176 T1177 A1181 T1182 Q1219 L1223A1175-L1179 WeakPolarHBondContact O-CB 3.32Å; A1175-L1179 PolarHBondContact O-N 3.1Å; K1176-L1179 PolarHBondContact O-N 3.25Å; T1177-L1179 VanDerWaalsContact C-N 3.32Å; T1177-L1179 PolarHBondContact O-N 2.95Å; L1179-A1181 VanDerWaalsContact C-N 3.3Å; L1179-A1181 PolarHBondContact O-N 2.79Å; L1179-T1182 PolarHBondContact O-N 2.95Å; L1179-T1182 VanDerWaalsContact O-N 3.08Å; L1179-Q1219 HydrophobicContact CD1-CB 4.47Å; L1179-Q1219 HydrophobicContact CD2-CB 4.22Å; L1179-Q1219 HydrophobicContact CD2-CG 3.81Å; L1179-L1223 HydrophobicContact CD1-CB 3.84Å; L1179-L1223 HydrophobicContact CD1-CD1 4.18Å; L1179-L1223 HydrophobicContact CD1-CG 4.46Å
1180S89.4Confident90.4Very high63 Ų6330.8 Ų30.844%0.44116%0.161SC..Hα-helixtrans-65.5-32.6176.871.60000113K1176 T1177 T1182K1176-S1180 PolarHBondContact O-N 2.84Å; T1177-S1180 PolarHBondContact O-N 2.83Å; T1177-S1180 VanDerWaalsContact O-N 3.15Å; T1177-S1180 PolarHBondContact O-OG 3.4Å; S1180-T1182 VanDerWaalsContact C-N 3.29Å
1181A88.6Confident90.3Very high22 Ų2230.1 Ų30.118%0.18216%0.158CC..THydrogen-bonded Turntrans-81.1-4.9173.700000113.4L1158 I1159 T1177 F1178 L1179 N1183L1158-A1181 HydrophobicContact CB-CB 3.83Å; L1158-A1181 HydrophobicContact CD1-CB 4.42Å; I1159-A1181 HydrophobicContact CG1-CB 4.11Å; T1177-A1181 WeakPolarHBondContact O-CB 3.36Å; T1177-A1181 PolarHBondContact O-N 2.75Å; F1178-A1181 CarbonylContact O-C 3.59Å; F1178-A1181 PolarHBondContact O-N 2.95Å; L1179-A1181 VanDerWaalsContact C-N 3.3Å; L1179-A1181 PolarHBondContact O-N 2.79Å; A1181-N1183 PolarHBondContact O-N 2.93Å
1182T87.9Confident90.2Very high24 Ų2429.5 Ų29.515%0.14717%0.165CC..THydrogen-bonded Turntrans50.435.2-17248.20000113.6F1178 L1179 S1180 T1184 R1226 L1230 R1232F1178-T1182 PolarHBondContact O-N 3.35Å; L1179-T1182 PolarHBondContact O-N 2.95Å; L1179-T1182 VanDerWaalsContact O-N 3.08Å; S1180-T1182 VanDerWaalsContact C-N 3.29Å; T1182-T1184 PolarHBondContact O-N 2.88Å; T1182-R1226 HydrophobicContact CG2-CG 3.94Å; T1182-L1230 HydrophobicContact CG2-CD1 4.02Å; T1182-R1232 PolarHBondContact O-NH1 2.84Å
1183N89.9Confident90.1Very high32 Ų3231.9 Ų31.917%0.17118%0.177CC..  trans-93.197.3175-168.2-39.3000109.8F1178 A1181 L1186 W1187F1178-N1183 HydrophobicContact CD1-CB 4.36Å; F1178-N1183 PolarHBondContact O-N 3.13Å; A1181-N1183 PolarHBondContact O-N 2.93Å; N1183-L1186 WeakPolarHBondContact ND2-CD1 3.27Å; N1183-L1186 PolarHBondContact OD1-N 3.48Å; N1183-W1187 WeakPolarHBondContact O-CB 3.32Å; N1183-W1187 PolarHBondContact O-N 3.11Å
1184T88.2Confident89.9Confident4 Ų430.3 Ų30.33%0.02517%0.169CC..Hα-helixtrans-58.8-56.5-179.527.90000113.9T1182 L1186 W1187 C1188 L1223 L1227 R1232 E1235 I1239T1182-T1184 PolarHBondContact O-N 2.88Å; T1184-L1186 VanDerWaalsContact C-N 3.33Å; T1184-L1186 PolarHBondContact O-N 3.23Å; T1184-W1187 PolarHBondContact O-N 3.13Å; T1184-W1187 VanDerWaalsContact O-N 3.16Å; T1184-C1188 PolarHBondContact O-N 3.04Å; T1184-C1188 PolarHBondContact O-SG 3.49Å; T1184-L1223 HydrophobicContact CG2-CD1 4.28Å; T1184-L1223 HydrophobicContact CG2-CD2 3.92Å; T1184-L1223 HydrophobicContact CG2-CG 4.15Å; T1184-L1227 HydrophobicContact CG2-CD1 3.25Å; T1184-L1227 HydrophobicContact CG2-CD2 3.6Å; T1184-L1227 HydrophobicContact CG2-CG 3.93Å; T1184-R1232 PolarHBondContact OG1-NH2 2.94Å; T1184-E1235 WeakPolarHBondContact CB-OE2 3.39Å; T1184-E1235 HydrophobicContact CG2-CB 4.08Å; T1184-E1235 WeakPolarHBondContact CG2-OE2 3.39Å; T1184-E1235 PolarHBondContact OG1-OE2 3.45Å; T1184-I1239 HydrophobicContact CG2-CG1 4.44Å
1185Q89.9Confident89.4Confident138 Ų13834.3 Ų34.365%0.64518%0.184SC*.Hα-helixtrans-59.6-46.3-174.4-70.9-172.8-1700111.5C1188 I1189Q1185-C1188 PolarHBondContact O-N 3.25Å; Q1185-I1189 VanDerWaalsContact O-CG1 3.32Å; Q1185-I1189 WeakPolarHBondContact O-CG1 3.44Å; Q1185-I1189 PolarHBondContact O-N 2.85Å; Q1185-I1189 VanDerWaalsContact O-N 3.13Å
1186L91.5Very high88.9Confident31 Ų3139.6 Ų39.616%0.16221%0.212CC..Hα-helixtrans-71.3-34.5178.6-65.5177.8000112.3I1159 Q1163 F1178 N1183 T1184 I1189 A1190I1159-L1186 HydrophobicContact CG2-CD1 3.93Å; Q1163-L1186 HydrophobicContact CG-CD1 4.06Å; F1178-L1186 HydrophobicContact CD1-CB 3.74Å; F1178-L1186 HydrophobicContact CD1-CD1 4.04Å; F1178-L1186 HydrophobicContact CD2-CB 3.8Å; F1178-L1186 HydrophobicContact CE1-CB 3.68Å; F1178-L1186 HydrophobicContact CE1-CD1 3.43Å; F1178-L1186 VanDerWaalsContact CE1-CD1 3.43Å; F1178-L1186 HydrophobicContact CE1-CG 4.17Å; F1178-L1186 HydrophobicContact CE2-CB 3.75Å; F1178-L1186 HydrophobicContact CG-CB 3.8Å; F1178-L1186 HydrophobicContact CZ-CB 3.67Å; F1178-L1186 HydrophobicContact CZ-CD1 3.82Å; F1178-L1186 HydrophobicContact CZ-CG 4.24Å; N1183-L1186 WeakPolarHBondContact ND2-CD1 3.27Å; N1183-L1186 PolarHBondContact OD1-N 3.48Å; T1184-L1186 VanDerWaalsContact C-N 3.33Å; T1184-L1186 PolarHBondContact O-N 3.23Å; L1186-I1189 HydrophobicContact CD2-CD1 4.39Å; L1186-I1189 PolarHBondContact O-N 2.9Å; L1186-A1190 WeakPolarHBondContact O-CB 3.33Å; L1186-A1190 PolarHBondContact O-N 2.82Å
1187W94.1Very high88Confident0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-61.2-46171.8-179.487.2000111.3A1175 F1178 N1183 T1184 I1189 A1190 A1191 I1216 Q1219 A1220 L1223 I1239 F1243A1175-W1187 VanDerWaalsContact O-CD1 3.29Å; F1178-W1187 HydrophobicContact CB-CB 3.9Å; N1183-W1187 WeakPolarHBondContact O-CB 3.32Å; N1183-W1187 PolarHBondContact O-N 3.11Å; T1184-W1187 PolarHBondContact O-N 3.13Å; T1184-W1187 VanDerWaalsContact O-N 3.16Å; W1187-I1189 VanDerWaalsContact C-N 3.3Å; W1187-I1189 PolarHBondContact O-N 2.67Å; W1187-A1190 PolarHBondContact O-N 2.9Å; W1187-A1191 HydrophobicContact CD2-CB 4.41Å; W1187-A1191 HydrophobicContact CE3-CB 4.46Å; W1187-A1191 HydrophobicContact CH2-CB 4.05Å; W1187-A1191 HydrophobicContact CZ2-CB 4.02Å; W1187-A1191 HydrophobicContact CZ3-CB 4.29Å; W1187-A1191 VanDerWaalsContact O-CB 3.24Å; W1187-A1191 WeakPolarHBondContact O-CB 3.35Å; W1187-A1191 PolarHBondContact O-N 3.22Å; W1187-I1216 HydrophobicContact CH2-CG2 4.1Å; W1187-I1216 HydrophobicContact CZ2-CG2 4.4Å; W1187-Q1219 HydrophobicContact CZ2-CB 3.62Å; W1187-A1220 HydrophobicContact CH2-CB 3.73Å; W1187-A1220 HydrophobicContact CZ2-CB 4.48Å; W1187-A1220 HydrophobicContact CZ3-CB 4.36Å; W1187-L1223 HydrophobicContact CB-CD2 4.21Å; W1187-L1223 HydrophobicContact CD2-CD2 3.61Å; W1187-L1223 HydrophobicContact CE3-CD2 3.5Å; W1187-L1223 HydrophobicContact CG-CD2 3.9Å; W1187-L1223 HydrophobicContact CZ3-CD2 4.22Å; W1187-I1239 HydrophobicContact CE3-CD1 3.95Å; W1187-I1239 HydrophobicContact CZ3-CD1 3.82Å; W1187-F1243 HydrophobicContact CH2-CD1 4.03Å; W1187-F1243 HydrophobicContact CH2-CE1 4.29Å; W1187-F1243 HydrophobicContact CH2-CG 4.28Å; W1187-F1243 AromaticContact CZ3-CD1 3.98Å; W1187-F1243 HydrophobicContact CZ3-CD1 3.98Å; W1187-F1243 HydrophobicContact CZ3-CD2 4.04Å; W1187-F1243 HydrophobicContact CZ3-CE1 4.01Å; W1187-F1243 HydrophobicContact CZ3-CE2 4.1Å; W1187-F1243 AromaticContact CZ3-CG 3.99Å; W1187-F1243 HydrophobicContact CZ3-CG 3.99Å; W1187-F1243 HydrophobicContact CZ3-CZ 4.09Å
1188C90.2Very high86.7Confident17 Ų1740.7 Ų40.712%0.11522%0.221CC..Hα-helixtrans-57.7-44.4177.5-66.20000111.1T1184 Q1185 A1192 I1239 F1243T1184-C1188 PolarHBondContact O-N 3.04Å; T1184-C1188 PolarHBondContact O-SG 3.49Å; Q1185-C1188 PolarHBondContact O-N 3.25Å; C1188-A1192 VanDerWaalsContact O-CB 3.24Å; C1188-A1192 WeakPolarHBondContact O-CB 3.3Å; C1188-A1192 PolarHBondContact O-N 2.98Å; C1188-I1239 VanDerWaalsContact SG-CD1 3.57Å; C1188-F1243 HydrophobicContact CB-CE2 3.78Å; C1188-F1243 HydrophobicContact CB-CZ 3.77Å; C1188-F1243 WeakPolarHBondContact SG-CE2 3.14Å
1189I91Very high85.1Confident81 Ų8146.1 Ų46.142%0.41525%0.25SS..Hα-helixtrans-65.7-46.3177.9-63.8164.2000111M1166 Q1185 L1186 W1187 A1192 N1193M1166-I1189 HydrophobicContact CE-CG2 3.64Å; Q1185-I1189 VanDerWaalsContact O-CG1 3.32Å; Q1185-I1189 WeakPolarHBondContact O-CG1 3.44Å; Q1185-I1189 PolarHBondContact O-N 2.85Å; Q1185-I1189 VanDerWaalsContact O-N 3.13Å; L1186-I1189 HydrophobicContact CD2-CD1 4.39Å; L1186-I1189 PolarHBondContact O-N 2.9Å; W1187-I1189 VanDerWaalsContact C-N 3.3Å; W1187-I1189 PolarHBondContact O-N 2.67Å; I1189-A1192 PolarHBondContact O-N 3.48Å; I1189-N1193 WeakPolarHBondContact CG2-ND2 3.49Å; I1189-N1193 WeakPolarHBondContact O-CB 3.49Å; I1189-N1193 PolarHBondContact O-N 3.39Å; I1189-N1193 PolarHBondContact O-ND2 3.18Å; I1189-N1193 VanDerWaalsContact O-ND2 3.08Å
1190A90.3Very high83.5Confident0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-63.9-42.2179.100000111.7M1166 A1174 A1175 F1178 L1186 W1187 S1194M1166-A1190 HydrophobicContact SD-CB 4.43Å; A1174-A1190 HydrophobicContact CB-CB 4.29Å; A1175-A1190 HydrophobicContact CB-CB 3.87Å; F1178-A1190 HydrophobicContact CD2-CB 3.93Å; F1178-A1190 HydrophobicContact CE2-CB 4.14Å; L1186-A1190 WeakPolarHBondContact O-CB 3.33Å; L1186-A1190 PolarHBondContact O-N 2.82Å; W1187-A1190 PolarHBondContact O-N 2.9Å; A1190-S1194 WeakPolarHBondContact O-CB 3.42Å; A1190-S1194 PolarHBondContact O-N 3.36Å
1191A88.3Confident81.6Confident1 Ų155.7 Ų55.71%0.00829%0.289CS..Hα-helixtrans-65.5-40.9176.300000112.1W1187 S1194 R1195 I1216 F1243W1187-A1191 HydrophobicContact CD2-CB 4.41Å; W1187-A1191 HydrophobicContact CE3-CB 4.46Å; W1187-A1191 HydrophobicContact CH2-CB 4.05Å; W1187-A1191 HydrophobicContact CZ2-CB 4.02Å; W1187-A1191 HydrophobicContact CZ3-CB 4.29Å; W1187-A1191 VanDerWaalsContact O-CB 3.24Å; W1187-A1191 WeakPolarHBondContact O-CB 3.35Å; W1187-A1191 PolarHBondContact O-N 3.22Å; A1191-S1194 WeakPolarHBondContact O-CB 3.48Å; A1191-S1194 PolarHBondContact O-N 3.1Å; A1191-R1195 WeakPolarHBondContact O-CB 3.33Å; A1191-R1195 PolarHBondContact O-N 3.25Å; A1191-I1216 HydrophobicContact CB-CG1 4.44Å; A1191-I1216 HydrophobicContact CB-CG2 4.16Å; A1191-F1243 HydrophobicContact CB-CE1 4.08Å
1192A87.1Confident79.9Confident43 Ų4360 Ų6036%0.35531%0.309SS..Hα-helixtrans-65.4-45.6175.800000112.3C1188 I1189 S1194 R1195 L1196C1188-A1192 VanDerWaalsContact O-CB 3.24Å; C1188-A1192 WeakPolarHBondContact O-CB 3.3Å; C1188-A1192 PolarHBondContact O-N 2.98Å; I1189-A1192 PolarHBondContact O-N 3.48Å; A1192-S1194 VanDerWaalsContact C-N 3.32Å; A1192-S1194 PolarHBondContact O-N 3.34Å; A1192-R1195 WeakPolarHBondContact O-CB 3.25Å; A1192-R1195 PolarHBondContact O-N 2.81Å; A1192-L1196 PolarHBondContact O-N 2.9Å
1193N86.6Confident78.2Confident49 Ų4964.9 Ų64.926%0.26234%0.339SS..Hα-helixtrans-63.8-38.9175.2-76.8-43.7000112.1Y1171 I1189 R1195 L1196 L1197Y1171-N1193 HydrophobicContact CD1-CB 3.63Å; Y1171-N1193 HydrophobicContact CD2-CB 4.42Å; Y1171-N1193 HydrophobicContact CE1-CB 3.77Å; Y1171-N1193 HydrophobicContact CG-CB 3.97Å; I1189-N1193 WeakPolarHBondContact CG2-ND2 3.49Å; I1189-N1193 WeakPolarHBondContact O-CB 3.49Å; I1189-N1193 PolarHBondContact O-N 3.39Å; I1189-N1193 PolarHBondContact O-ND2 3.18Å; I1189-N1193 VanDerWaalsContact O-ND2 3.08Å; N1193-R1195 VanDerWaalsContact C-N 3.32Å; N1193-R1195 PolarHBondContact O-N 3.34Å; N1193-L1196 PolarHBondContact O-N 3.41Å; N1193-L1197 PolarHBondContact O-N 3.29Å; N1193-L1197 VanDerWaalsContact O-N 3.09Å
1194S84.9Confident76.6Confident0 Ų070.8 Ų70.80%037%0.37CS..Hα-helixtrans-60.5-41.8172.8176.10000112A1190 A1191 A1192 L1197 N1198 L1211A1190-S1194 WeakPolarHBondContact O-CB 3.42Å; A1190-S1194 PolarHBondContact O-N 3.36Å; A1191-S1194 WeakPolarHBondContact O-CB 3.48Å; A1191-S1194 PolarHBondContact O-N 3.1Å; A1192-S1194 VanDerWaalsContact C-N 3.32Å; A1192-S1194 PolarHBondContact O-N 3.34Å; S1194-L1197 PolarHBondContact O-N 3.43Å; S1194-N1198 PolarHBondContact O-N 3.36Å; S1194-N1198 VanDerWaalsContact O-N 3.16Å; S1194-L1211 WeakPolarHBondContact OG-CA 3.42Å; S1194-L1211 WeakPolarHBondContact OG-CB 3.37Å; S1194-L1211 PolarHBondContact OG-N 2.87Å; S1194-L1211 PolarHBondContact OG-O 3.39Å
1195R81.6Confident75Confident85 Ų8574 Ų7432%0.32139%0.387SS..Hα-helixtrans-63.1-43.2176.2-172.9179.4-90179.1-8.9111.3A1191 A1192 N1193 L1197 N1198 D1199 N1213 I1216A1191-R1195 WeakPolarHBondContact O-CB 3.33Å; A1191-R1195 PolarHBondContact O-N 3.25Å; A1192-R1195 WeakPolarHBondContact O-CB 3.25Å; A1192-R1195 PolarHBondContact O-N 2.81Å; N1193-R1195 VanDerWaalsContact C-N 3.32Å; N1193-R1195 PolarHBondContact O-N 3.34Å; R1195-L1197 VanDerWaalsContact C-N 3.3Å; R1195-L1197 PolarHBondContact O-N 2.84Å; R1195-N1198 PolarHBondContact O-N 3.24Å; R1195-D1199 PolarHBondContact O-N 3.43Å; R1195-N1213 PolarHBondContact NE-OD1 2.94Å; R1195-N1213 PolarHBondContact NH2-OD1 3.33Å; R1195-I1216 HydrophobicContact CB-CD1 4.06Å
1196L79.6Confident73.6Confident110 Ų11070.2 Ų70.258%0.57638%0.376SS*.Hα-helixtrans-61.2-33.6175.8-77.3163.7000113.7A1192 N1193A1192-L1196 PolarHBondContact O-N 2.9Å; N1193-L1196 PolarHBondContact O-N 3.41Å
1197L72.1Confident72.1Confident67 Ų6773.1 Ų73.135%0.35140%0.395SS..Hα-helixtrans-73.5-34.7175.7-86.5156.3000112.4Y1171 N1193 S1194 R1195 K1200Y1171-L1197 HydrophobicContact CD2-CD1 3.23Å; Y1171-L1197 HydrophobicContact CE2-CD1 3.57Å; Y1171-L1197 HydrophobicContact CG-CD1 4.31Å; N1193-L1197 PolarHBondContact O-N 3.29Å; N1193-L1197 VanDerWaalsContact O-N 3.09Å; S1194-L1197 PolarHBondContact O-N 3.43Å; R1195-L1197 VanDerWaalsContact C-N 3.3Å; R1195-L1197 PolarHBondContact O-N 2.84Å; L1197-K1200 PolarHBondContact O-N 3.36Å
1198N65.5Low70.8Confident50 Ų5076.2 Ų76.227%0.26741%0.412SS..Hα-helixtrans-68.6-35.4179.7-161.129.8000112.1S1194 R1195 K1200 Y1210S1194-N1198 PolarHBondContact O-N 3.36Å; S1194-N1198 VanDerWaalsContact O-N 3.16Å; R1195-N1198 PolarHBondContact O-N 3.24Å; N1198-K1200 PolarHBondContact O-N 3.13Å; N1198-Y1210 HydrophobicContact CB-CD2 4.14Å; N1198-Y1210 VanDerWaalsContact OD1-CE2 3.24Å; N1198-Y1210 WeakPolarHBondContact OD1-CE2 3.21Å
1199D58.5Low69.9Low115 Ų11577.4 Ų77.462%0.61542%0.415SS*.THydrogen-bonded Turntrans-68.1-11.1177.7-76.9-19.6000113.9R1195 N1201R1195-D1199 PolarHBondContact O-N 3.43Å; D1199-N1201 VanDerWaalsContact C-N 3.32Å; D1199-N1201 PolarHBondContact O-N 2.88Å
1200K57.6Low69.3Low157 Ų15776.5 Ų76.568%0.68341%0.407SS*.THydrogen-bonded Turntrans-83.78.7179.8-73-172.6177.1-178.90115.2L1197 N1198 N1202L1197-K1200 PolarHBondContact O-N 3.36Å; N1198-K1200 PolarHBondContact O-N 3.13Å; K1200-N1202 PolarHBondContact O-N 3.44Å; K1200-N1202 VanDerWaalsContact O-N 3.09Å
1201N51Low68.9Low143 Ų14376.6 Ų76.677%0.76541%0.408SS*.  trans47.238.2175.9-77.7-13.2000115D1199 T1203D1199-N1201 VanDerWaalsContact C-N 3.32Å; D1199-N1201 PolarHBondContact O-N 2.88Å; N1201-T1203 PolarHBondContact O-N 2.87Å
1202N53Low68.5Low112 Ų11278.1 Ų78.160%0.59942%0.419SS*.  trans-92.897.1171.3-95.6-10.2000109.5K1200 D1204 L1205K1200-N1202 PolarHBondContact O-N 3.44Å; K1200-N1202 VanDerWaalsContact O-N 3.09Å; N1202-D1204 PolarHBondContact O-N 2.91Å; N1202-L1205 HydrophobicContact CB-CD1 3.85Å
1203T51.8Low68.3Low128 Ų12879.3 Ų79.379%0.78542%0.419SS*.THydrogen-bonded Turntrans-74.56.6-176.3460000115.4N1201N1201-T1203 PolarHBondContact O-N 2.87Å
1204D55.6Low68.2Low155 Ų15582 Ų8283%0.82944%0.437SS*.THydrogen-bonded Turntrans-114.97.2-172.6-71-15.4000115.4N1202N1202-D1204 PolarHBondContact O-N 2.91Å
1205L55.1Low68.3Low71 Ų7185.5 Ų85.537%0.37245%0.453SS..  trans-95.2136.7177.3-79.698.1000112.7N1202 H1209 Y1210N1202-L1205 HydrophobicContact CB-CD1 3.85Å; L1205-H1209 HydrophobicContact CB-CB 4.49Å; L1205-H1209 HydrophobicContact CD2-CB 3.85Å; L1205-Y1210 HydrophobicContact CB-CD1 4.32Å; L1205-Y1210 HydrophobicContact CB-CE1 4.14Å; L1205-Y1210 WeakPolarHBondContact O-CE1 3.33Å
1206S60.9Low68.6Low59 Ų5981.5 Ų81.541%0.41344%0.438SS..  trans-63.1155.717667.10000112D1208 H1209S1206-D1208 PolarHBondContact O-N 2.9Å; S1206-H1209 PolarHBondContact O-N 3.11Å; S1206-H1209 VanDerWaalsContact O-N 3.08Å
1207T59.9Low69.2Low93 Ų9382 Ų8257%0.57143%0.432SS*.THydrogen-bonded Turntrans-58.2-1.8176.350.80000115
1208D66.2Low70.1Confident65 Ų6582 Ų8235%0.34844%0.436SS..THydrogen-bonded Turntrans-84.4-26.8177.3-62.4-30.8000112L1173 S1206L1173-D1208 HydrophobicContact CD1-CB 4.08Å; L1173-D1208 HydrophobicContact CG-CB 4.07Å; L1173-D1208 PolarHBondContact N-O 3Å; L1173-D1208 VanDerWaalsContact N-O 3.16Å; S1206-D1208 PolarHBondContact O-N 2.9Å
1209H72.5Confident71.4Confident41 Ų4180.6 Ų80.619%0.1943%0.427CS..THydrogen-bonded Turntrans-85.2-33.1-178.7-78.4-72.5000113.7G1169 F1170 Y1171 G1172 L1205 S1206G1169-H1209 PolarHBondContact O-ND1 2.82Å; G1169-H1209 VanDerWaalsContact O-ND1 3.07Å; F1170-H1209 AromaticContact CD1-CE1 3.23Å; F1170-H1209 WeakPolarHBondContact CD1-CE1 3.27Å; F1170-H1209 AromaticContact CD1-ND1 3.58Å; F1170-H1209 AromaticContact CD1-NE2 3.79Å; F1170-H1209 AromaticContact CE1-CE1 3.16Å; F1170-H1209 WeakPolarHBondContact CE1-CE1 3.28Å; F1170-H1209 AromaticContact CE1-ND1 3.99Å; F1170-H1209 AromaticContact CE1-NE2 3.5Å; Y1171-H1209 PolarHBondContact N-O 3.23Å; G1172-H1209 PolarHBondContact N-O 3.18Å; G1172-H1209 VanDerWaalsContact N-O 3.15Å; L1205-H1209 HydrophobicContact CB-CB 4.49Å; L1205-H1209 HydrophobicContact CD2-CB 3.85Å; S1206-H1209 PolarHBondContact O-N 3.11Å; S1206-H1209 VanDerWaalsContact O-N 3.08Å
1210Y78.6Confident73Confident63 Ų6375.1 Ų75.125%0.24740%0.398CS..  trans-143.8162.6-178.174.6-82.8000113N1198 L1205N1198-Y1210 HydrophobicContact CB-CD2 4.14Å; N1198-Y1210 VanDerWaalsContact OD1-CE2 3.24Å; N1198-Y1210 WeakPolarHBondContact OD1-CE2 3.21Å; L1205-Y1210 HydrophobicContact CB-CD1 4.32Å; L1205-Y1210 HydrophobicContact CB-CE1 4.14Å; L1205-Y1210 WeakPolarHBondContact O-CE1 3.33Å
1211L80.3Confident74.7Confident1 Ų173.1 Ų73.11%0.00539%0.391CS..  trans-115.1141175.5-73.9157.4000109.7A1175 S1194 E1215 I1216A1175-L1211 HydrophobicContact CB-CD1 3.44Å; A1175-L1211 VanDerWaalsContact CB-CD1 3.44Å; S1194-L1211 WeakPolarHBondContact OG-CA 3.42Å; S1194-L1211 WeakPolarHBondContact OG-CB 3.37Å; S1194-L1211 PolarHBondContact OG-N 2.87Å; S1194-L1211 PolarHBondContact OG-O 3.39Å; L1211-E1215 HydrophobicContact CB-CB 4.45Å; L1211-E1215 HydrophobicContact CD2-CB 3.93Å; L1211-E1215 HydrophobicContact CD2-CG 4.49Å; L1211-I1216 HydrophobicContact CB-CG1 4.05Å
1212S81.5Confident76.6Confident34 Ų3473.2 Ų73.224%0.23839%0.385CS..  trans-70.8157.3172.863.20000112.2T1214 E1215 I1216S1212-T1214 PolarHBondContact O-N 2.92Å; S1212-T1214 PolarHBondContact OG-OG1 3.37Å; S1212-T1214 VanDerWaalsContact OG-OG1 3.07Å; S1212-E1215 PolarHBondContact N-OE2 2.95Å; S1212-E1215 PolarHBondContact O-N 2.82Å; S1212-E1215 VanDerWaalsContact O-N 3.11Å; S1212-E1215 WeakPolarHBondContact OG-CB 3.41Å; S1212-E1215 VanDerWaalsContact OG-CD 3.32Å; S1212-E1215 VanDerWaalsContact OG-CG 3.23Å; S1212-E1215 WeakPolarHBondContact OG-CG 3.46Å; S1212-E1215 PolarHBondContact OG-N 2.93Å; S1212-E1215 PolarHBondContact OG-OE2 3.26Å; S1212-I1216 WeakPolarHBondContact O-CG1 3.24Å; S1212-I1216 PolarHBondContact O-N 3.5Å
1213N81.2Confident78.5Confident67 Ų6768 Ų6836%0.35836%0.357SS..Hα-helixtrans-60-31.1178.7-93.9-28.9000113.4R1195 R1217R1195-N1213 PolarHBondContact NE-OD1 2.94Å; R1195-N1213 PolarHBondContact NH2-OD1 3.33Å; N1213-R1217 PolarHBondContact O-N 2.96Å
1214T85.3Confident80.4Confident105 Ų10561.9 Ų61.964%0.64432%0.319SS*.Hα-helixtrans-69.1-43175.447.80000111.4S1212 R1217 T1218S1212-T1214 PolarHBondContact O-N 2.92Å; S1212-T1214 PolarHBondContact OG-OG1 3.37Å; S1212-T1214 VanDerWaalsContact OG-OG1 3.07Å; T1214-R1217 PolarHBondContact O-N 2.89Å; T1214-T1218 PolarHBondContact O-N 2.89Å; T1214-T1218 PolarHBondContact O-OG1 2.86Å
1215E86.9Confident82Confident74 Ų7456.8 Ų56.835%0.34630%0.299SS..Hα-helixtrans-63.7-40.6174.5-74.2169.3133.300112.2L1211 S1212 R1217 T1218 Q1219L1211-E1215 HydrophobicContact CB-CB 4.45Å; L1211-E1215 HydrophobicContact CD2-CB 3.93Å; L1211-E1215 HydrophobicContact CD2-CG 4.49Å; S1212-E1215 PolarHBondContact N-OE2 2.95Å; S1212-E1215 PolarHBondContact O-N 2.82Å; S1212-E1215 VanDerWaalsContact O-N 3.11Å; S1212-E1215 WeakPolarHBondContact OG-CB 3.41Å; S1212-E1215 VanDerWaalsContact OG-CD 3.32Å; S1212-E1215 VanDerWaalsContact OG-CG 3.23Å; S1212-E1215 WeakPolarHBondContact OG-CG 3.46Å; S1212-E1215 PolarHBondContact OG-N 2.93Å; S1212-E1215 PolarHBondContact OG-OE2 3.26Å; E1215-R1217 VanDerWaalsContact C-N 3.34Å; E1215-R1217 PolarHBondContact O-N 3.49Å; E1215-T1218 VanDerWaalsContact CA-OG1 3.31Å; E1215-T1218 WeakPolarHBondContact CA-OG1 2.97Å; E1215-T1218 PolarHBondContact O-N 3.03Å; E1215-T1218 PolarHBondContact O-OG1 3.33Å; E1215-Q1219 WeakPolarHBondContact O-CB 3.05Å; E1215-Q1219 WeakPolarHBondContact O-CG 3.26Å; E1215-Q1219 PolarHBondContact O-N 2.95Å
1216I88.9Confident83.7Confident1 Ų160.1 Ų60.11%0.00531%0.306CS..Hα-helixtrans-59.2-46.6176.4-67.2170000110.3W1187 A1191 R1195 L1211 S1212 T1218 Q1219 A1220 F1243W1187-I1216 HydrophobicContact CH2-CG2 4.1Å; W1187-I1216 HydrophobicContact CZ2-CG2 4.4Å; A1191-I1216 HydrophobicContact CB-CG1 4.44Å; A1191-I1216 HydrophobicContact CB-CG2 4.16Å; R1195-I1216 HydrophobicContact CB-CD1 4.06Å; L1211-I1216 HydrophobicContact CB-CG1 4.05Å; S1212-I1216 WeakPolarHBondContact O-CG1 3.24Å; S1212-I1216 PolarHBondContact O-N 3.5Å; I1216-T1218 PolarHBondContact O-N 2.96Å; I1216-Q1219 PolarHBondContact O-N 2.77Å; I1216-A1220 WeakPolarHBondContact O-CB 3.48Å; I1216-A1220 PolarHBondContact O-N 3.2Å; I1216-F1243 HydrophobicContact CG2-CD1 3.94Å; I1216-F1243 HydrophobicContact CG2-CE1 4.36Å
1217R90.6Very high85.2Confident120 Ų12057.3 Ų57.345%0.45329%0.287SS..Hα-helixtrans-63.4-40.7177-95-174.7170.4159.5-1.8112.7N1213 T1214 E1215 A1220 Q1221 E1245N1213-R1217 PolarHBondContact O-N 2.96Å; T1214-R1217 PolarHBondContact O-N 2.89Å; E1215-R1217 VanDerWaalsContact C-N 3.34Å; E1215-R1217 PolarHBondContact O-N 3.49Å; R1217-A1220 PolarHBondContact O-N 3.4Å; R1217-Q1221 WeakPolarHBondContact O-CG 3.34Å; R1217-Q1221 PolarHBondContact O-N 3.5Å; R1217-E1245 IonicContact NH2-OE2 2.75Å; R1217-E1245 PolarHBondContact NH2-OE2 2.85Å
1218T91.8Very high86.5Confident68 Ų6854.9 Ų54.942%0.41727%0.269SS..Hα-helixtrans-67.6-39.1177.712.70000112.1T1214 E1215 I1216 K1222T1214-T1218 PolarHBondContact O-N 2.89Å; T1214-T1218 PolarHBondContact O-OG1 2.86Å; E1215-T1218 VanDerWaalsContact CA-OG1 3.31Å; E1215-T1218 WeakPolarHBondContact CA-OG1 2.97Å; E1215-T1218 PolarHBondContact O-N 3.03Å; E1215-T1218 PolarHBondContact O-OG1 3.33Å; I1216-T1218 PolarHBondContact O-N 2.96Å; T1218-K1222 WeakPolarHBondContact O-CG 3.24Å; T1218-K1222 PolarHBondContact O-N 2.86Å
1219Q92.4Very high87.4Confident20 Ų2058.4 Ų58.49%0.09329%0.287CS..Hα-helixtrans-65.7-41.8173.1-72.1-168.213.600111.4L1179 W1187 E1215 I1216 Q1221 K1222 L1223L1179-Q1219 HydrophobicContact CD1-CB 4.47Å; L1179-Q1219 HydrophobicContact CD2-CB 4.22Å; L1179-Q1219 HydrophobicContact CD2-CG 3.81Å; W1187-Q1219 HydrophobicContact CZ2-CB 3.62Å; E1215-Q1219 WeakPolarHBondContact O-CB 3.05Å; E1215-Q1219 WeakPolarHBondContact O-CG 3.26Å; E1215-Q1219 PolarHBondContact O-N 2.95Å; I1216-Q1219 PolarHBondContact O-N 2.77Å; Q1219-Q1221 PolarHBondContact O-N 3.24Å; Q1219-K1222 PolarHBondContact O-N 2.85Å; Q1219-L1223 VanDerWaalsContact O-CB 3.29Å; Q1219-L1223 WeakPolarHBondContact O-CB 3.37Å; Q1219-L1223 PolarHBondContact O-N 3.06Å
1220A92.2Very high88.1Confident0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-58.5-44.817600000112.1W1187 I1216 R1217 L1223 A1224 I1239 F1243 L1244W1187-A1220 HydrophobicContact CH2-CB 3.73Å; W1187-A1220 HydrophobicContact CZ2-CB 4.48Å; W1187-A1220 HydrophobicContact CZ3-CB 4.36Å; I1216-A1220 WeakPolarHBondContact O-CB 3.48Å; I1216-A1220 PolarHBondContact O-N 3.2Å; R1217-A1220 PolarHBondContact O-N 3.4Å; A1220-L1223 PolarHBondContact O-N 3.47Å; A1220-A1224 WeakPolarHBondContact O-CB 3.34Å; A1220-A1224 PolarHBondContact O-N 2.89Å; A1220-I1239 HydrophobicContact CB-CG2 3.9Å; A1220-I1239 WeakPolarHBondContact O-CG2 3.44Å; A1220-F1243 HydrophobicContact CB-CB 3.84Å; A1220-L1244 HydrophobicContact CB-CD2 3.76Å; A1220-L1244 HydrophobicContact CB-CG 4.12Å
1221Q92.2Very high88.4Confident116 Ų11667 Ų6754%0.54232%0.324SS..Hα-helixtrans-61.6-46.7176.1-74.4177.9-22.800112.1R1217 Q1219 L1223 A1224 A1225 L1244R1217-Q1221 WeakPolarHBondContact O-CG 3.34Å; R1217-Q1221 PolarHBondContact O-N 3.5Å; Q1219-Q1221 PolarHBondContact O-N 3.24Å; Q1221-L1223 VanDerWaalsContact C-N 3.3Å; Q1221-L1223 PolarHBondContact O-N 3.16Å; Q1221-A1224 PolarHBondContact O-N 2.93Å; Q1221-A1225 WeakPolarHBondContact O-CB 3.49Å; Q1221-A1225 PolarHBondContact O-N 2.87Å; Q1221-L1244 HydrophobicContact CG-CD1 4.14Å; Q1221-L1244 HydrophobicContact CG-CD2 3.56Å
1222K91.6Very high88.8Confident145 Ų14571 Ų7163%0.6334%0.339SS*.Hα-helixtrans-61.7-40.6176.8-73.1178.2-179.2178.60111.6T1218 Q1219 R1226T1218-K1222 WeakPolarHBondContact O-CG 3.24Å; T1218-K1222 PolarHBondContact O-N 2.86Å; Q1219-K1222 PolarHBondContact O-N 2.85Å; K1222-R1226 VanDerWaalsContact O-CB 3.24Å; K1222-R1226 WeakPolarHBondContact O-CB 3.49Å; K1222-R1226 PolarHBondContact O-N 3.44Å
1223L92.7Very high89.2Confident1 Ų170.2 Ų70.21%0.00533%0.331CS..Hα-helixtrans-67.5-48.4178.8-174.862.7000110.7L1179 T1184 W1187 Q1219 A1220 Q1221 A1225 R1226 L1227 I1239L1179-L1223 HydrophobicContact CD1-CB 3.84Å; L1179-L1223 HydrophobicContact CD1-CD1 4.18Å; L1179-L1223 HydrophobicContact CD1-CG 4.46Å; T1184-L1223 HydrophobicContact CG2-CD1 4.28Å; T1184-L1223 HydrophobicContact CG2-CD2 3.92Å; T1184-L1223 HydrophobicContact CG2-CG 4.15Å; W1187-L1223 HydrophobicContact CB-CD2 4.21Å; W1187-L1223 HydrophobicContact CD2-CD2 3.61Å; W1187-L1223 HydrophobicContact CE3-CD2 3.5Å; W1187-L1223 HydrophobicContact CG-CD2 3.9Å; W1187-L1223 HydrophobicContact CZ3-CD2 4.22Å; Q1219-L1223 VanDerWaalsContact O-CB 3.29Å; Q1219-L1223 WeakPolarHBondContact O-CB 3.37Å; Q1219-L1223 PolarHBondContact O-N 3.06Å; A1220-L1223 PolarHBondContact O-N 3.47Å; Q1221-L1223 VanDerWaalsContact C-N 3.3Å; Q1221-L1223 PolarHBondContact O-N 3.16Å; L1223-A1225 PolarHBondContact O-N 2.78Å; L1223-R1226 PolarHBondContact O-N 3.35Å; L1223-L1227 HydrophobicContact CD1-CD1 4.43Å; L1223-L1227 HydrophobicContact CD1-CG 4.34Å; L1223-L1227 HydrophobicContact CG-CD1 3.98Å; L1223-L1227 HydrophobicContact CG-CG 4.36Å; L1223-L1227 WeakPolarHBondContact O-CB 3.29Å; L1223-L1227 WeakPolarHBondContact O-CG 3.28Å; L1223-L1227 PolarHBondContact O-N 2.88Å; L1223-I1239 HydrophobicContact CD2-CD1 3.83Å; L1223-I1239 HydrophobicContact CD2-CG1 4.32Å
1224A91.7Very high89.6Confident0 Ų072.1 Ų72.10%034%0.338CS..Hα-helixtrans-58.3-45.3178.200000112.3A1220 Q1221 L1227 K1228 I1239 Y1240 L1244A1220-A1224 WeakPolarHBondContact O-CB 3.34Å; A1220-A1224 PolarHBondContact O-N 2.89Å; Q1221-A1224 PolarHBondContact O-N 2.93Å; A1224-L1227 PolarHBondContact O-N 3.09Å; A1224-K1228 PolarHBondContact O-N 3.33Å; A1224-K1228 VanDerWaalsContact O-N 3.12Å; A1224-I1239 HydrophobicContact CB-CB 4.28Å; A1224-I1239 HydrophobicContact CB-CG2 3.88Å; A1224-Y1240 HydrophobicContact CB-CE1 4.15Å; A1224-Y1240 HydrophobicContact CB-CE2 4.1Å; A1224-L1244 HydrophobicContact CB-CD1 4.15Å
1225A90.4Very high89.8Confident48 Ų4869.5 Ų69.540%0.39732%0.319SS..Hα-helixtrans-61.8-47.5175.400000111.5Q1221 L1223 L1227 K1228 D1229Q1221-A1225 WeakPolarHBondContact O-CB 3.49Å; Q1221-A1225 PolarHBondContact O-N 2.87Å; L1223-A1225 PolarHBondContact O-N 2.78Å; A1225-L1227 VanDerWaalsContact C-N 3.29Å; A1225-L1227 PolarHBondContact O-N 2.74Å; A1225-K1228 WeakPolarHBondContact O-CB 3.4Å; A1225-K1228 PolarHBondContact O-N 3.16Å; A1225-K1228 VanDerWaalsContact O-N 3.17Å; A1225-D1229 PolarHBondContact O-N 2.96Å
1226R90.4Very high90.1Very high141 Ų14166 Ų6653%0.53230%0.302SS..Hα-helixtrans-65.3-31.9179.6-166.6161.9-177.8150.4-2.3112.8T1182 K1222 L1223 D1229 L1230T1182-R1226 HydrophobicContact CG2-CG 3.94Å; K1222-R1226 VanDerWaalsContact O-CB 3.24Å; K1222-R1226 WeakPolarHBondContact O-CB 3.49Å; K1222-R1226 PolarHBondContact O-N 3.44Å; L1223-R1226 PolarHBondContact O-N 3.35Å; R1226-D1229 PolarHBondContact O-N 3.22Å; R1226-L1230 HydrophobicContact CG-CD1 4.26Å; R1226-L1230 WeakPolarHBondContact O-CB 3.41Å; R1226-L1230 WeakPolarHBondContact O-CG 3.28Å; R1226-L1230 PolarHBondContact O-N 3.01Å
1227L91.3Very high90.2Very high1 Ų166.3 Ų66.31%0.00530%0.304CS..Hα-helixtrans-68.3-39.4174.2-71.7164.7000112T1184 L1223 A1224 A1225 L1230 R1231 R1232 E1235 A1236 I1239T1184-L1227 HydrophobicContact CG2-CD1 3.25Å; T1184-L1227 HydrophobicContact CG2-CD2 3.6Å; T1184-L1227 HydrophobicContact CG2-CG 3.93Å; L1223-L1227 HydrophobicContact CD1-CD1 4.43Å; L1223-L1227 HydrophobicContact CD1-CG 4.34Å; L1223-L1227 HydrophobicContact CG-CD1 3.98Å; L1223-L1227 HydrophobicContact CG-CG 4.36Å; L1223-L1227 WeakPolarHBondContact O-CB 3.29Å; L1223-L1227 WeakPolarHBondContact O-CG 3.28Å; L1223-L1227 PolarHBondContact O-N 2.88Å; A1224-L1227 PolarHBondContact O-N 3.09Å; A1225-L1227 VanDerWaalsContact C-N 3.29Å; A1225-L1227 PolarHBondContact O-N 2.74Å; L1227-L1230 CarbonylContact O-C 3.53Å; L1227-L1230 PolarHBondContact O-N 2.91Å; L1227-R1231 PolarHBondContact O-N 3.42Å; L1227-R1231 VanDerWaalsContact O-N 3.11Å; L1227-R1232 HydrophobicContact CB-CB 4.36Å; L1227-R1232 HydrophobicContact CD2-CB 3.83Å; L1227-R1232 PolarHBondContact O-N 2.8Å; L1227-E1235 HydrophobicContact CD1-CB 4.18Å; L1227-E1235 HydrophobicContact CD2-CB 4.4Å; L1227-A1236 HydrophobicContact CB-CB 3.85Å; L1227-A1236 HydrophobicContact CD1-CB 4.3Å; L1227-I1239 HydrophobicContact CD1-CG1 4.06Å
1228K87.9Confident90.2Very high42 Ų4264.8 Ų64.818%0.18330%0.302CS..Hα-helixtrans-60.5-46.6172-72.5-172.164.5162.10111.1A1224 A1225 L1230 R1231 A1236 Y1240 T1253 E1256A1224-K1228 PolarHBondContact O-N 3.33Å; A1224-K1228 VanDerWaalsContact O-N 3.12Å; A1225-K1228 WeakPolarHBondContact O-CB 3.4Å; A1225-K1228 PolarHBondContact O-N 3.16Å; A1225-K1228 VanDerWaalsContact O-N 3.17Å; K1228-L1230 PolarHBondContact O-N 3.23Å; K1228-R1231 PolarHBondContact O-N 3.39Å; K1228-A1236 HydrophobicContact CG-CB 4.1Å; K1228-Y1240 HydrophobicContact CD-CE2 4.33Å; K1228-T1253 HydrophobicContact CD-CG2 3.9Å; K1228-T1253 HydrophobicContact CG-CG2 3.91Å; K1228-E1256 WeakPolarHBondContact CE-OE2 3.05Å; K1228-E1256 IonicContact NZ-OE1 3.32Å; K1228-E1256 PolarHBondContact NZ-OE1 2.83Å; K1228-E1256 IonicContact NZ-OE2 2.72Å; K1228-E1256 PolarHBondContact NZ-OE2 2.93Å
1229D85.8Confident90.2Very high139 Ų13961.6 Ų61.674%0.74328%0.282SS*.Hα-helixtrans-59.6-33176.4-65.9-19.7000112.3A1225 R1226 R1231A1225-D1229 PolarHBondContact O-N 2.96Å; R1226-D1229 PolarHBondContact O-N 3.22Å; D1229-R1231 VanDerWaalsContact C-N 3.3Å
1230L87Confident90.3Very high88 Ų8861.9 Ų61.946%0.46128%0.283SS..THydrogen-bonded Turntrans-84.94.9176.1-68.6172.4000114.2T1182 R1226 L1227 K1228 R1232T1182-L1230 HydrophobicContact CG2-CD1 4.02Å; R1226-L1230 HydrophobicContact CG-CD1 4.26Å; R1226-L1230 WeakPolarHBondContact O-CB 3.41Å; R1226-L1230 WeakPolarHBondContact O-CG 3.28Å; R1226-L1230 PolarHBondContact O-N 3.01Å; L1227-L1230 CarbonylContact O-C 3.53Å; L1227-L1230 PolarHBondContact O-N 2.91Å; K1228-L1230 PolarHBondContact O-N 3.23Å; L1230-R1232 PolarHBondContact O-N 3.28Å
1231R85Confident90.2Very high195 Ų19563.5 Ų63.574%0.73629%0.292SS*.THydrogen-bonded Turntrans54.729.8-173.1-56.9-161.3-176-146.62.2115.6L1227 K1228 D1229 H1233L1227-R1231 PolarHBondContact O-N 3.42Å; L1227-R1231 VanDerWaalsContact O-N 3.11Å; K1228-R1231 PolarHBondContact O-N 3.39Å; D1229-R1231 VanDerWaalsContact C-N 3.3Å; R1231-H1233 VanDerWaalsContact C-N 3.33Å; R1231-H1233 PolarHBondContact O-N 3.08Å
1232R88.4Confident90Very high87 Ų8761.9 Ų61.933%0.32829%0.287SS..  trans-97.856.7173.5-68.1172.272.8-170.14109.9T1182 T1184 L1227 L1230 Q1234 E1235 A1236T1182-R1232 PolarHBondContact O-NH1 2.84Å; T1184-R1232 PolarHBondContact OG1-NH2 2.94Å; L1227-R1232 HydrophobicContact CB-CB 4.36Å; L1227-R1232 HydrophobicContact CD2-CB 3.83Å; L1227-R1232 PolarHBondContact O-N 2.8Å; L1230-R1232 PolarHBondContact O-N 3.28Å; R1232-Q1234 VanDerWaalsContact C-N 3.31Å; R1232-Q1234 PolarHBondContact O-N 3.11Å; R1232-E1235 VanDerWaalsContact CZ-CD 3.48Å; R1232-E1235 IonicContact CZ-OE1 3.54Å; R1232-E1235 IonicContact CZ-OE2 2.85Å; R1232-E1235 VanDerWaalsContact NE-CD 3.26Å; R1232-E1235 IonicContact NE-OE1 2.99Å; R1232-E1235 PolarHBondContact NE-OE1 3.19Å; R1232-E1235 IonicContact NE-OE2 2.75Å; R1232-E1235 PolarHBondContact NE-OE2 3.25Å; R1232-E1235 IonicContact NH1-OE2 3.45Å; R1232-E1235 IonicContact NH2-OE1 3.88Å; R1232-E1235 PolarHBondContact NH2-OE1 2.76Å; R1232-E1235 IonicContact NH2-OE2 3.17Å; R1232-E1235 PolarHBondContact NH2-OE2 2.89Å; R1232-E1235 PolarHBondContact O-N 3.47Å; R1232-A1236 PolarHBondContact O-N 3.1Å; R1232-A1236 VanDerWaalsContact O-N 3.08Å
1233H89.1Confident89.9Confident16 Ų1656 Ų567%0.07426%0.262CS..Hα-helixtrans-64.6-35.4-171.1-62.488.4000112.6R1231 E1235 A1236 I1237 T1253 D1257R1231-H1233 VanDerWaalsContact C-N 3.33Å; R1231-H1233 PolarHBondContact O-N 3.08Å; H1233-E1235 PolarHBondContact O-N 2.67Å; H1233-A1236 WeakPolarHBondContact O-CB 3.28Å; H1233-A1236 PolarHBondContact O-N 2.8Å; H1233-A1236 VanDerWaalsContact O-N 3.12Å; H1233-I1237 WeakPolarHBondContact O-CB 3.45Å; H1233-I1237 WeakPolarHBondContact O-CD1 3.4Å; H1233-I1237 WeakPolarHBondContact O-CG1 3.39Å; H1233-I1237 PolarHBondContact O-N 2.82Å; H1233-T1253 HydrophobicContact CB-CG2 3.96Å; H1233-D1257 HydrophobicContact CB-CB 3.52Å; H1233-D1257 WeakPolarHBondContact CB-OD2 3.38Å; H1233-D1257 IonicContact CE1-OD1 2.57Å; H1233-D1257 PolarHBondContact CE1-OD1 2.96Å; H1233-D1257 IonicContact CE1-OD2 2.79Å; H1233-D1257 VanDerWaalsContact CG-CB 3.4Å; H1233-D1257 IonicContact CG-OD2 2.65Å; H1233-D1257 WeakPolarHBondContact ND1-CB 3.39Å; H1233-D1257 IonicContact ND1-OD1 2.65Å; H1233-D1257 PolarHBondContact ND1-OD1 2.86Å; H1233-D1257 IonicContact ND1-OD2 3.32Å; H1233-D1257 PolarHBondContact ND1-OD2 2.8Å
1234Q89.4Confident89.8Confident108 Ų10857.2 Ų57.251%0.50527%0.268SS..Hα-helixtrans-60.7-35.4178.7-142.5145.514.300112.6R1232 Q1238 L1259 D1262R1232-Q1234 VanDerWaalsContact C-N 3.31Å; R1232-Q1234 PolarHBondContact O-N 3.11Å; Q1234-Q1238 PolarHBondContact O-N 3.49Å; Q1234-L1259 HydrophobicContact CB-CD1 3.9Å; Q1234-L1259 HydrophobicContact CG-CD1 3.83Å; Q1234-D1262 PolarHBondContact NE2-OD2 3.12Å
1235E90.8Very high89.7Confident50 Ų5063.7 Ų63.723%0.23430%0.298CS..Hα-helixtrans-80.6-34.9174.9-57.9173.2-158.100112.1T1184 L1227 R1232 H1233 I1237 Q1238 I1239T1184-E1235 WeakPolarHBondContact CB-OE2 3.39Å; T1184-E1235 HydrophobicContact CG2-CB 4.08Å; T1184-E1235 WeakPolarHBondContact CG2-OE2 3.39Å; T1184-E1235 PolarHBondContact OG1-OE2 3.45Å; L1227-E1235 HydrophobicContact CD1-CB 4.18Å; L1227-E1235 HydrophobicContact CD2-CB 4.4Å; R1232-E1235 VanDerWaalsContact CZ-CD 3.48Å; R1232-E1235 IonicContact CZ-OE1 3.54Å; R1232-E1235 IonicContact CZ-OE2 2.85Å; R1232-E1235 VanDerWaalsContact NE-CD 3.26Å; R1232-E1235 IonicContact NE-OE1 2.99Å; R1232-E1235 PolarHBondContact NE-OE1 3.19Å; R1232-E1235 IonicContact NE-OE2 2.75Å; R1232-E1235 PolarHBondContact NE-OE2 3.25Å; R1232-E1235 IonicContact NH1-OE2 3.45Å; R1232-E1235 IonicContact NH2-OE1 3.88Å; R1232-E1235 PolarHBondContact NH2-OE1 2.76Å; R1232-E1235 IonicContact NH2-OE2 3.17Å; R1232-E1235 PolarHBondContact NH2-OE2 2.89Å; R1232-E1235 PolarHBondContact O-N 3.47Å; H1233-E1235 PolarHBondContact O-N 2.67Å; E1235-I1237 VanDerWaalsContact C-N 3.29Å; E1235-I1237 PolarHBondContact O-N 3.1Å; E1235-Q1238 WeakPolarHBondContact O-CB 3.3Å; E1235-Q1238 PolarHBondContact O-N 2.77Å; E1235-Q1238 VanDerWaalsContact O-N 3.15Å; E1235-I1239 WeakPolarHBondContact O-CG1 3.13Å; E1235-I1239 PolarHBondContact O-N 2.81Å
1236A92Very high89.7Confident0 Ų064.3 Ų64.30%030%0.295CS..Hα-helixtrans-60.3-42.4172.600000110.9L1227 K1228 R1232 H1233 Q1238 I1239 Y1240 T1253L1227-A1236 HydrophobicContact CB-CB 3.85Å; L1227-A1236 HydrophobicContact CD1-CB 4.3Å; K1228-A1236 HydrophobicContact CG-CB 4.1Å; R1232-A1236 PolarHBondContact O-N 3.1Å; R1232-A1236 VanDerWaalsContact O-N 3.08Å; H1233-A1236 WeakPolarHBondContact O-CB 3.28Å; H1233-A1236 PolarHBondContact O-N 2.8Å; H1233-A1236 VanDerWaalsContact O-N 3.12Å; A1236-Q1238 VanDerWaalsContact C-N 3.28Å; A1236-Q1238 PolarHBondContact O-N 3.14Å; A1236-I1239 PolarHBondContact O-N 3.43Å; A1236-I1239 VanDerWaalsContact O-N 3.15Å; A1236-Y1240 HydrophobicContact CB-CE2 4.31Å; A1236-Y1240 WeakPolarHBondContact O-CD2 3.27Å; A1236-Y1240 PolarHBondContact O-N 3.24Å; A1236-T1253 HydrophobicContact CB-CG2 4.33Å
1237I90.9Very high89.7Confident8 Ų858.9 Ų58.94%0.04128%0.278CS..Hα-helixtrans-54.6-46.3172.7-73.6163.6000110.2H1233 E1235 I1239 Y1240 V1241 A1250 T1253 A1254 L1259 L1266H1233-I1237 WeakPolarHBondContact O-CB 3.45Å; H1233-I1237 WeakPolarHBondContact O-CD1 3.4Å; H1233-I1237 WeakPolarHBondContact O-CG1 3.39Å; H1233-I1237 PolarHBondContact O-N 2.82Å; E1235-I1237 VanDerWaalsContact C-N 3.29Å; E1235-I1237 PolarHBondContact O-N 3.1Å; I1237-I1239 PolarHBondContact O-N 3.37Å; I1237-Y1240 PolarHBondContact O-N 3.05Å; I1237-V1241 WeakPolarHBondContact O-CG2 3.19Å; I1237-V1241 PolarHBondContact O-N 3.04Å; I1237-A1250 HydrophobicContact CG2-CB 4.27Å; I1237-T1253 HydrophobicContact CG1-CG2 4.22Å; I1237-A1254 HydrophobicContact CD1-CB 3.62Å; I1237-L1259 HydrophobicContact CD1-CD1 3.93Å; I1237-L1266 HydrophobicContact CG2-CD1 3.8Å
1238Q90.9Very high89.7Confident87 Ų8761 Ų6141%0.40729%0.291SS..Hα-helixtrans-60.9-45.4176.7-173177.83.400111.8Q1234 E1235 A1236 Y1240 V1241 D1242Q1234-Q1238 PolarHBondContact O-N 3.49Å; E1235-Q1238 WeakPolarHBondContact O-CB 3.3Å; E1235-Q1238 PolarHBondContact O-N 2.77Å; E1235-Q1238 VanDerWaalsContact O-N 3.15Å; A1236-Q1238 VanDerWaalsContact C-N 3.28Å; A1236-Q1238 PolarHBondContact O-N 3.14Å; Q1238-Y1240 VanDerWaalsContact C-N 3.34Å; Q1238-Y1240 PolarHBondContact O-N 2.82Å; Q1238-V1241 PolarHBondContact O-N 3.32Å; Q1238-D1242 WeakPolarHBondContact CG-OD2 3.46Å; Q1238-D1242 PolarHBondContact NE2-OD2 2.67Å; Q1238-D1242 WeakPolarHBondContact O-CB 3.34Å; Q1238-D1242 PolarHBondContact O-N 3.08Å
1239I92.7Very high89.9Confident2 Ų261.3 Ų61.31%0.0129%0.294CS..Hα-helixtrans-62.4-41.2176.9-62.1-69.8000111.6T1184 W1187 C1188 A1220 L1223 A1224 L1227 E1235 A1236 I1237 V1241 F1243 L1244T1184-I1239 HydrophobicContact CG2-CG1 4.44Å; W1187-I1239 HydrophobicContact CE3-CD1 3.95Å; W1187-I1239 HydrophobicContact CZ3-CD1 3.82Å; C1188-I1239 VanDerWaalsContact SG-CD1 3.57Å; A1220-I1239 HydrophobicContact CB-CG2 3.9Å; A1220-I1239 WeakPolarHBondContact O-CG2 3.44Å; L1223-I1239 HydrophobicContact CD2-CD1 3.83Å; L1223-I1239 HydrophobicContact CD2-CG1 4.32Å; A1224-I1239 HydrophobicContact CB-CB 4.28Å; A1224-I1239 HydrophobicContact CB-CG2 3.88Å; L1227-I1239 HydrophobicContact CD1-CG1 4.06Å; E1235-I1239 WeakPolarHBondContact O-CG1 3.13Å; E1235-I1239 PolarHBondContact O-N 2.81Å; A1236-I1239 PolarHBondContact O-N 3.43Å; A1236-I1239 VanDerWaalsContact O-N 3.15Å; I1237-I1239 PolarHBondContact O-N 3.37Å; I1239-V1241 VanDerWaalsContact C-N 3.28Å; I1239-V1241 PolarHBondContact O-N 2.79Å; I1239-F1243 HydrophobicContact CD1-CD2 4.07Å; I1239-F1243 HydrophobicContact CD1-CE2 4.42Å; I1239-F1243 PolarHBondContact O-N 3.18Å; I1239-L1244 HydrophobicContact CG2-CD1 4.24Å; I1239-L1244 HydrophobicContact CG2-CG 4.4Å; I1239-L1244 PolarHBondContact O-N 3.16Å; I1239-L1244 VanDerWaalsContact O-N 3.15Å
1240Y93Very high90.2Very high26 Ų2654.7 Ų54.710%0.10226%0.258CS..Hα-helixtrans-61.2-38176.9-78.5-60.4000112.1A1224 K1228 A1236 I1237 Q1238 L1244 E1245 D1246 M1249A1224-Y1240 HydrophobicContact CB-CE1 4.15Å; A1224-Y1240 HydrophobicContact CB-CE2 4.1Å; K1228-Y1240 HydrophobicContact CD-CE2 4.33Å; A1236-Y1240 HydrophobicContact CB-CE2 4.31Å; A1236-Y1240 WeakPolarHBondContact O-CD2 3.27Å; A1236-Y1240 PolarHBondContact O-N 3.24Å; I1237-Y1240 PolarHBondContact O-N 3.05Å; Q1238-Y1240 VanDerWaalsContact C-N 3.34Å; Q1238-Y1240 PolarHBondContact O-N 2.82Å; Y1240-L1244 HydrophobicContact CD1-CB 4.42Å; Y1240-L1244 HydrophobicContact CD1-CD1 3.57Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.78Å; Y1240-L1244 HydrophobicContact CG-CD1 4.47Å; Y1240-L1244 CarbonylContact O-C 3.55Å; Y1240-E1245 WeakPolarHBondContact O-CA 3.45Å; Y1240-E1245 PolarHBondContact O-N 3.37Å; Y1240-D1246 HydrophobicContact CD1-CB 4.48Å; Y1240-D1246 PolarHBondContact O-N 3.34Å; Y1240-M1249 HydrophobicContact CD1-CB 4.1Å; Y1240-M1249 HydrophobicContact CE1-CB 4.12Å; Y1240-M1249 HydrophobicContact CG-CB 4.39Å
1241V90.2Very high90.4Very high34 Ų3450.5 Ų50.521%0.20624%0.236CC..Hα-helixtrans-77.2-53.8178.5173.30000111.4I1237 Q1238 I1239 A1250 L1266 Y1270I1237-V1241 WeakPolarHBondContact O-CG2 3.19Å; I1237-V1241 PolarHBondContact O-N 3.04Å; Q1238-V1241 PolarHBondContact O-N 3.32Å; I1239-V1241 VanDerWaalsContact C-N 3.28Å; I1239-V1241 PolarHBondContact O-N 2.79Å; V1241-A1250 HydrophobicContact CG2-CB 4.11Å; V1241-L1266 HydrophobicContact CG2-CD2 4.26Å; V1241-Y1270 WeakPolarHBondContact CG1-OH 3.26Å
1242D87.9Confident90.7Very high82 Ų8246.3 Ų46.344%0.43922%0.221SC..Hα-helixtrans-81-33.6-165.7-66.4-10.3000113.7Q1238Q1238-D1242 WeakPolarHBondContact CG-OD2 3.46Å; Q1238-D1242 PolarHBondContact NE2-OD2 2.67Å; Q1238-D1242 WeakPolarHBondContact O-CB 3.34Å; Q1238-D1242 PolarHBondContact O-N 3.08Å
1243F89.9Confident90.9Very high20 Ų2042.1 Ų42.19%0.08821%0.205CC..THydrogen-bonded Turntrans-116.4-27.3-172.9-68.2-91.1000114W1187 C1188 A1191 I1216 A1220 I1239W1187-F1243 HydrophobicContact CH2-CD1 4.03Å; W1187-F1243 HydrophobicContact CH2-CE1 4.29Å; W1187-F1243 HydrophobicContact CH2-CG 4.28Å; W1187-F1243 AromaticContact CZ3-CD1 3.98Å; W1187-F1243 HydrophobicContact CZ3-CD1 3.98Å; W1187-F1243 HydrophobicContact CZ3-CD2 4.04Å; W1187-F1243 HydrophobicContact CZ3-CE1 4.01Å; W1187-F1243 HydrophobicContact CZ3-CE2 4.1Å; W1187-F1243 AromaticContact CZ3-CG 3.99Å; W1187-F1243 HydrophobicContact CZ3-CG 3.99Å; W1187-F1243 HydrophobicContact CZ3-CZ 4.09Å; C1188-F1243 HydrophobicContact CB-CE2 3.78Å; C1188-F1243 HydrophobicContact CB-CZ 3.77Å; C1188-F1243 WeakPolarHBondContact SG-CE2 3.14Å; A1191-F1243 HydrophobicContact CB-CE1 4.08Å; I1216-F1243 HydrophobicContact CG2-CD1 3.94Å; I1216-F1243 HydrophobicContact CG2-CE1 4.36Å; A1220-F1243 HydrophobicContact CB-CB 3.84Å; I1239-F1243 HydrophobicContact CD1-CD2 4.07Å; I1239-F1243 HydrophobicContact CD1-CE2 4.42Å; I1239-F1243 PolarHBondContact O-N 3.18Å
1244L90.7Very high90.9Very high28 Ų2841.4 Ų41.415%0.14720%0.201CC..SBendtrans-105.4-19.3-178.4-58.7175.6000114.1A1220 Q1221 A1224 I1239 Y1240 D1246A1220-L1244 HydrophobicContact CB-CD2 3.76Å; A1220-L1244 HydrophobicContact CB-CG 4.12Å; Q1221-L1244 HydrophobicContact CG-CD1 4.14Å; Q1221-L1244 HydrophobicContact CG-CD2 3.56Å; A1224-L1244 HydrophobicContact CB-CD1 4.15Å; I1239-L1244 HydrophobicContact CG2-CD1 4.24Å; I1239-L1244 HydrophobicContact CG2-CG 4.4Å; I1239-L1244 PolarHBondContact O-N 3.16Å; I1239-L1244 VanDerWaalsContact O-N 3.15Å; Y1240-L1244 HydrophobicContact CD1-CB 4.42Å; Y1240-L1244 HydrophobicContact CD1-CD1 3.57Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.78Å; Y1240-L1244 HydrophobicContact CG-CD1 4.47Å; Y1240-L1244 CarbonylContact O-C 3.55Å; L1244-D1246 PolarHBondContact O-N 3.47Å
1245E89.5Confident90.9Very high135 Ų13536.5 Ų36.563%0.63118%0.179SC*.  trans58.437.6-180-57.3165.7164.200114R1217 Y1240 P1247R1217-E1245 IonicContact NH2-OE2 2.75Å; R1217-E1245 PolarHBondContact NH2-OE2 2.85Å; Y1240-E1245 WeakPolarHBondContact O-CA 3.45Å; Y1240-E1245 PolarHBondContact O-N 3.37Å; E1245-P1247 WeakPolarHBondContact O-CD 3.26Å
1246D91.8Very high90.7Very high61 Ų6138.8 Ų38.833%0.32619%0.19SC..  trans-116.688.8-179.5-172.6-12000113Y1240 L1244 V1248 M1249 A1250Y1240-D1246 HydrophobicContact CD1-CB 4.48Å; Y1240-D1246 PolarHBondContact O-N 3.34Å; L1244-D1246 PolarHBondContact O-N 3.47Å; D1246-V1248 VanDerWaalsContact C-N 3.34Å; D1246-V1248 PolarHBondContact O-N 3.38Å; D1246-V1248 PolarHBondContact OD1-N 3.27Å; D1246-M1249 HydrophobicContact CB-CB 4.46Å; D1246-M1249 PolarHBondContact OD1-N 3.25Å; D1246-M1249 VanDerWaalsContact OD1-N 3.1Å; D1246-M1249 WeakPolarHBondContact OD2-CG 3.46Å; D1246-A1250 PolarHBondContact O-N 2.81Å
1247P88.7Confident90.3Very high27 Ų2741.1 Ų41.118%0.17520%0.202CC..Hα-helixtrans-73.5-21.3-177.528.8-34.6000113.8E1245 A1250 I1251 Y1270E1245-P1247 WeakPolarHBondContact O-CD 3.26Å; P1247-A1250 WeakPolarHBondContact O-CB 3.37Å; P1247-A1250 PolarHBondContact O-N 2.57Å; P1247-I1251 VanDerWaalsContact O-CG1 3.32Å; P1247-I1251 WeakPolarHBondContact O-CG1 3.41Å; P1247-I1251 PolarHBondContact O-N 3.27Å; P1247-Y1270 HydrophobicContact CB-CD1 3.78Å; P1247-Y1270 HydrophobicContact CB-CD2 3.53Å; P1247-Y1270 HydrophobicContact CB-CE1 4.1Å; P1247-Y1270 HydrophobicContact CB-CE2 3.88Å; P1247-Y1270 HydrophobicContact CB-CG 3.48Å; P1247-Y1270 VanDerWaalsContact CB-CG 3.48Å; P1247-Y1270 HydrophobicContact CG-CD1 3.92Å; P1247-Y1270 HydrophobicContact CG-CE1 4.35Å; P1247-Y1270 HydrophobicContact CG-CG 4.01Å
1248V92.1Very high90.1Very high47 Ų4742.6 Ų42.629%0.28521%0.213SC..Hα-helixtrans-72.4-45.5-179.8175.30000109.8D1246 A1250 I1251 R1252 F1275D1246-V1248 VanDerWaalsContact C-N 3.34Å; D1246-V1248 PolarHBondContact O-N 3.38Å; D1246-V1248 PolarHBondContact OD1-N 3.27Å; V1248-A1250 VanDerWaalsContact C-N 3.28Å; V1248-A1250 PolarHBondContact O-N 2.93Å; V1248-I1251 PolarHBondContact O-N 2.77Å; V1248-R1252 PolarHBondContact O-N 2.86Å; V1248-F1275 HydrophobicContact CG1-CE1 3.9Å; V1248-F1275 HydrophobicContact CG1-CZ 3.95Å
1249M91.1Very high90Very high47 Ų4740 Ų4023%0.23220%0.201CC..Hα-helixtrans-64.1-35.6172.7-79.3-63.5-70.300111.7Y1240 D1246 R1252 T1253Y1240-M1249 HydrophobicContact CD1-CB 4.1Å; Y1240-M1249 HydrophobicContact CE1-CB 4.12Å; Y1240-M1249 HydrophobicContact CG-CB 4.39Å; D1246-M1249 HydrophobicContact CB-CB 4.46Å; D1246-M1249 PolarHBondContact OD1-N 3.25Å; D1246-M1249 VanDerWaalsContact OD1-N 3.1Å; D1246-M1249 WeakPolarHBondContact OD2-CG 3.46Å; M1249-R1252 PolarHBondContact O-N 2.84Å; M1249-T1253 WeakPolarHBondContact O-CB 3.46Å; M1249-T1253 PolarHBondContact O-N 2.87Å; M1249-T1253 PolarHBondContact O-OG1 3.26Å
1250A92Very high89.8Confident0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-59.7-48.1173.800000112.3I1237 V1241 D1246 P1247 V1248 T1253 A1254 L1266I1237-A1250 HydrophobicContact CG2-CB 4.27Å; V1241-A1250 HydrophobicContact CG2-CB 4.11Å; D1246-A1250 PolarHBondContact O-N 2.81Å; P1247-A1250 WeakPolarHBondContact O-CB 3.37Å; P1247-A1250 PolarHBondContact O-N 2.57Å; V1248-A1250 VanDerWaalsContact C-N 3.28Å; V1248-A1250 PolarHBondContact O-N 2.93Å; A1250-T1253 PolarHBondContact O-N 3.19Å; A1250-A1254 PolarHBondContact O-N 2.85Å; A1250-L1266 HydrophobicContact CB-CD1 4.07Å
1251I92.2Very high89.6Confident0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-62.1-46178-67162.8000111.2P1247 V1248 T1253 A1254 C1255 L1266 A1267 K1272 F1275 L1276P1247-I1251 VanDerWaalsContact O-CG1 3.32Å; P1247-I1251 WeakPolarHBondContact O-CG1 3.41Å; P1247-I1251 PolarHBondContact O-N 3.27Å; V1248-I1251 PolarHBondContact O-N 2.77Å; I1251-T1253 VanDerWaalsContact C-N 3.33Å; I1251-T1253 PolarHBondContact O-N 2.99Å; I1251-A1254 WeakPolarHBondContact O-CB 3.43Å; I1251-A1254 PolarHBondContact O-N 3.2Å; I1251-A1254 VanDerWaalsContact O-N 3.16Å; I1251-C1255 PolarHBondContact O-N 3.03Å; I1251-L1266 HydrophobicContact CD1-CB 4.37Å; I1251-L1266 HydrophobicContact CG1-CB 3.62Å; I1251-A1267 HydrophobicContact CD1-CB 4.19Å; I1251-K1272 HydrophobicContact CD1-CB 3.67Å; I1251-K1272 HydrophobicContact CD1-CG 4.18Å; I1251-F1275 HydrophobicContact CB-CE1 4.48Å; I1251-F1275 HydrophobicContact CG2-CD1 4.12Å; I1251-F1275 HydrophobicContact CG2-CE1 4.23Å; I1251-L1276 HydrophobicContact CG2-CD1 4.22Å
1252R91.9Very high89.4Confident107 Ų10746.6 Ų46.640%0.40423%0.233SC..Hα-helixtrans-61.2-44.2178.8-172.2-179.7-75.9156.5-4.9111.4V1248 M1249 A1254 C1255 E1256V1248-R1252 PolarHBondContact O-N 2.86Å; M1249-R1252 PolarHBondContact O-N 2.84Å; R1252-A1254 VanDerWaalsContact C-N 3.26Å; R1252-A1254 PolarHBondContact O-N 2.81Å; R1252-C1255 PolarHBondContact O-N 2.78Å; R1252-E1256 WeakPolarHBondContact O-CG 3.21Å; R1252-E1256 PolarHBondContact O-N 2.84Å
1253T91.4Very high89.5Confident0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-64-31.8177.5-53.30000111.6K1228 H1233 A1236 I1237 M1249 A1250 I1251 D1257K1228-T1253 HydrophobicContact CD-CG2 3.9Å; K1228-T1253 HydrophobicContact CG-CG2 3.91Å; H1233-T1253 HydrophobicContact CB-CG2 3.96Å; A1236-T1253 HydrophobicContact CB-CG2 4.33Å; I1237-T1253 HydrophobicContact CG1-CG2 4.22Å; M1249-T1253 WeakPolarHBondContact O-CB 3.46Å; M1249-T1253 PolarHBondContact O-N 2.87Å; M1249-T1253 PolarHBondContact O-OG1 3.26Å; A1250-T1253 PolarHBondContact O-N 3.19Å; I1251-T1253 VanDerWaalsContact C-N 3.33Å; I1251-T1253 PolarHBondContact O-N 2.99Å; T1253-D1257 PolarHBondContact O-N 3.1Å
1254A90.1Very high89.5Confident0 Ų044.8 Ų44.80%022%0.223CC..Hα-helixtrans-68.7-42.1173.300000112.6I1237 A1250 I1251 R1252 D1257 C1258 L1259 A1263I1237-A1254 HydrophobicContact CD1-CB 3.62Å; A1250-A1254 PolarHBondContact O-N 2.85Å; I1251-A1254 WeakPolarHBondContact O-CB 3.43Å; I1251-A1254 PolarHBondContact O-N 3.2Å; I1251-A1254 VanDerWaalsContact O-N 3.16Å; R1252-A1254 VanDerWaalsContact C-N 3.26Å; R1252-A1254 PolarHBondContact O-N 2.81Å; A1254-D1257 PolarHBondContact O-N 3.27Å; A1254-C1258 PolarHBondContact O-N 2.9Å; A1254-L1259 HydrophobicContact CB-CB 4.29Å; A1254-L1259 PolarHBondContact O-N 3.35Å; A1254-A1263 HydrophobicContact CB-CB 3.85Å
1255C89.1Confident89.6Confident6 Ų649.2 Ų49.24%0.04124%0.237CC..Hα-helixtrans-66.8-38.3175.7-660000112.5I1251 R1252 D1257 C1258 L1276I1251-C1255 PolarHBondContact O-N 3.03Å; R1252-C1255 PolarHBondContact O-N 2.78Å; C1255-D1257 PolarHBondContact O-N 2.85Å; C1255-C1258 PolarHBondContact O-N 2.88Å; C1255-L1276 VanDerWaalsContact SG-CD1 3.56Å
1256E86Confident89.7Confident97 Ų9742.9 Ų42.945%0.45321%0.208SC..Hα-helixtrans-58.8-33.7177.8-75.8168.7-170.300112.7K1228 R1252K1228-E1256 WeakPolarHBondContact CE-OE2 3.05Å; K1228-E1256 IonicContact NZ-OE1 3.32Å; K1228-E1256 PolarHBondContact NZ-OE1 2.83Å; K1228-E1256 IonicContact NZ-OE2 2.72Å; K1228-E1256 PolarHBondContact NZ-OE2 2.93Å; R1252-E1256 WeakPolarHBondContact O-CG 3.21Å; R1252-E1256 PolarHBondContact O-N 2.84Å
1257D85Confident89.7Confident50 Ų5040 Ų4027%0.26719%0.192SC..THydrogen-bonded Turntrans-106.518.9-179.5-149.636.1000113.6H1233 T1253 A1254 C1255 L1259H1233-D1257 HydrophobicContact CB-CB 3.52Å; H1233-D1257 WeakPolarHBondContact CB-OD2 3.38Å; H1233-D1257 IonicContact CE1-OD1 2.57Å; H1233-D1257 PolarHBondContact CE1-OD1 2.96Å; H1233-D1257 IonicContact CE1-OD2 2.79Å; H1233-D1257 VanDerWaalsContact CG-CB 3.4Å; H1233-D1257 IonicContact CG-OD2 2.65Å; H1233-D1257 WeakPolarHBondContact ND1-CB 3.39Å; H1233-D1257 IonicContact ND1-OD1 2.65Å; H1233-D1257 PolarHBondContact ND1-OD1 2.86Å; H1233-D1257 IonicContact ND1-OD2 3.32Å; H1233-D1257 PolarHBondContact ND1-OD2 2.8Å; T1253-D1257 PolarHBondContact O-N 3.1Å; A1254-D1257 PolarHBondContact O-N 3.27Å; C1255-D1257 PolarHBondContact O-N 2.85Å; D1257-L1259 HydrophobicContact CB-CD1 4.44Å; D1257-L1259 HydrophobicContact CB-CG 4.37Å; D1257-L1259 PolarHBondContact O-N 3.01Å; D1257-L1259 VanDerWaalsContact O-N 3.13Å
1258C86.6Confident89.8Confident38 Ų3841.7 Ų41.726%0.25721%0.205SC..THydrogen-bonded Turntrans58.428.1176-50.40000114.1A1254 C1255 W1260 H1287A1254-C1258 PolarHBondContact O-N 2.9Å; C1255-C1258 PolarHBondContact O-N 2.88Å; C1258-W1260 HydrophobicContact CB-CD2 4.43Å; C1258-W1260 HydrophobicContact CB-CH2 4.01Å; C1258-W1260 HydrophobicContact CB-CZ2 3.39Å; C1258-W1260 PolarHBondContact O-N 3.08Å; C1258-W1260 PolarHBondContact O-NE1 3.39Å; C1258-W1260 VanDerWaalsContact SG-CZ2 3.59Å; C1258-H1287 VanDerWaalsContact SG-CE1 3.53Å; C1258-H1287 PolarHBondContact SG-ND1 3.47Å
1259L88.9Confident89.7Confident32 Ų3244.8 Ų44.817%0.16822%0.219CC..  trans-8462.8175.4-64.3172.4000110Q1234 I1237 A1254 D1257 M1261 D1262 A1263Q1234-L1259 HydrophobicContact CB-CD1 3.9Å; Q1234-L1259 HydrophobicContact CG-CD1 3.83Å; I1237-L1259 HydrophobicContact CD1-CD1 3.93Å; A1254-L1259 HydrophobicContact CB-CB 4.29Å; A1254-L1259 PolarHBondContact O-N 3.35Å; D1257-L1259 HydrophobicContact CB-CD1 4.44Å; D1257-L1259 HydrophobicContact CB-CG 4.37Å; D1257-L1259 PolarHBondContact O-N 3.01Å; D1257-L1259 VanDerWaalsContact O-N 3.13Å; L1259-M1261 VanDerWaalsContact C-N 3.33Å; L1259-M1261 PolarHBondContact O-N 3.2Å; L1259-D1262 HydrophobicContact CB-CB 4.22Å; L1259-D1262 PolarHBondContact O-N 2.99Å; L1259-D1262 VanDerWaalsContact O-N 3.08Å; L1259-A1263 PolarHBondContact O-N 3.05Å
1260W87.5Confident89.8Confident10 Ų1046.7 Ų46.74%0.03823%0.225CC..Hα-helixtrans-54.8-46.1-169.9-47126.1000112.9C1258 D1262 A1263 H1264 L1280 L1284 H1287 S1422 E1425C1258-W1260 HydrophobicContact CB-CD2 4.43Å; C1258-W1260 HydrophobicContact CB-CH2 4.01Å; C1258-W1260 HydrophobicContact CB-CZ2 3.39Å; C1258-W1260 PolarHBondContact O-N 3.08Å; C1258-W1260 PolarHBondContact O-NE1 3.39Å; C1258-W1260 VanDerWaalsContact SG-CZ2 3.59Å; W1260-D1262 PolarHBondContact O-N 2.77Å; W1260-A1263 WeakPolarHBondContact O-CB 3.4Å; W1260-A1263 PolarHBondContact O-N 2.86Å; W1260-H1264 PolarHBondContact O-CD2 2.98Å; W1260-H1264 VanDerWaalsContact O-CD2 3.22Å; W1260-H1264 PolarHBondContact O-N 2.87Å; W1260-L1280 HydrophobicContact CE3-CD1 3.88Å; W1260-L1280 HydrophobicContact CZ3-CD1 4.17Å; W1260-L1284 HydrophobicContact CH2-CD2 4.11Å; W1260-L1284 HydrophobicContact CH2-CG 4.34Å; W1260-L1284 HydrophobicContact CZ2-CD2 3.86Å; W1260-H1287 HydrophobicContact CZ2-CB 4.34Å; W1260-H1287 AromaticContact CZ2-CD2 3.92Å; W1260-S1422 PolarHBondContact NE1-OG 3.47Å; W1260-E1425 HydrophobicContact CB-CG 3.73Å; W1260-E1425 HydrophobicContact CD2-CG 4.19Å; W1260-E1425 HydrophobicContact CG-CG 3.61Å
1261M88.2Confident89.7Confident160 Ų16053.3 Ų53.379%0.78826%0.26SS*.Hα-helixtrans-61.6-41.7178.6-72.1-81.3-80.900112.6L1259 H1264 R1265L1259-M1261 VanDerWaalsContact C-N 3.33Å; L1259-M1261 PolarHBondContact O-N 3.2Å; M1261-H1264 PolarHBondContact O-N 3.02Å; M1261-R1265 VanDerWaalsContact O-CB 3.28Å; M1261-R1265 WeakPolarHBondContact O-CB 3.31Å; M1261-R1265 PolarHBondContact O-N 2.61Å
1262D86.4Confident89.6Confident31 Ų3157.6 Ų57.617%0.16628%0.279CS..Hα-helixtrans-70.6-37.1177.4-89.4-42.8000111.6Q1234 L1259 W1260 R1265 L1266Q1234-D1262 PolarHBondContact NE2-OD2 3.12Å; L1259-D1262 HydrophobicContact CB-CB 4.22Å; L1259-D1262 PolarHBondContact O-N 2.99Å; L1259-D1262 VanDerWaalsContact O-N 3.08Å; W1260-D1262 PolarHBondContact O-N 2.77Å; D1262-R1265 PolarHBondContact O-N 3.12Å; D1262-R1265 IonicContact OD1-CZ 3.08Å; D1262-R1265 IonicContact OD1-NE 2.76Å; D1262-R1265 PolarHBondContact OD1-NE 2.97Å; D1262-R1265 VanDerWaalsContact OD1-NE 3.08Å; D1262-R1265 IonicContact OD1-NH2 3.49Å; D1262-R1265 PolarHBondContact OD1-NH2 2.93Å; D1262-R1265 VanDerWaalsContact OD1-NH2 3.15Å; D1262-L1266 VanDerWaalsContact O-CB 3.31Å; D1262-L1266 WeakPolarHBondContact O-CB 3.4Å; D1262-L1266 VanDerWaalsContact O-CG 3.23Å; D1262-L1266 WeakPolarHBondContact O-CG 3.16Å; D1262-L1266 PolarHBondContact O-N 3.09Å
1263A90.2Very high89.5Confident0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-60.7-47.3174.100000111.1A1254 L1259 W1260 A1267 L1276A1254-A1263 HydrophobicContact CB-CB 3.85Å; L1259-A1263 PolarHBondContact O-N 3.05Å; W1260-A1263 WeakPolarHBondContact O-CB 3.4Å; W1260-A1263 PolarHBondContact O-N 2.86Å; A1263-A1267 WeakPolarHBondContact O-CB 3.35Å; A1263-A1267 PolarHBondContact O-N 2.94Å; A1263-L1276 HydrophobicContact CB-CD1 3.75Å
1264H90.5Very high89.3Confident65 Ų6565.1 Ų65.130%0.30132%0.318SS..Hα-helixtrans-62-42.9174.6-83.1-72.2000112.7W1260 M1261 S1268 L1276 E1425W1260-H1264 PolarHBondContact O-CD2 2.98Å; W1260-H1264 VanDerWaalsContact O-CD2 3.22Å; W1260-H1264 PolarHBondContact O-N 2.87Å; M1261-H1264 PolarHBondContact O-N 3.02Å; H1264-S1268 WeakPolarHBondContact O-CB 3.18Å; H1264-S1268 PolarHBondContact O-N 2.89Å; H1264-S1268 PolarHBondContact O-OG 2.91Å; H1264-L1276 HydrophobicContact CB-CD2 4.35Å; H1264-L1276 WeakPolarHBondContact ND1-CD2 3.42Å; H1264-E1425 IonicContact CD2-OE1 2.78Å; H1264-E1425 IonicContact NE2-OE1 3.08Å; H1264-E1425 IonicContact NE2-OE2 2.84Å
1265R92.6Very high89.2Confident120 Ų12067.3 Ų67.345%0.45333%0.328SS..Hα-helixtrans-61.4-52.9177.4-175.1-175.866.380-0.1111M1261 D1262 S1268 L1269M1261-R1265 VanDerWaalsContact O-CB 3.28Å; M1261-R1265 WeakPolarHBondContact O-CB 3.31Å; M1261-R1265 PolarHBondContact O-N 2.61Å; D1262-R1265 PolarHBondContact O-N 3.12Å; D1262-R1265 IonicContact OD1-CZ 3.08Å; D1262-R1265 IonicContact OD1-NE 2.76Å; D1262-R1265 PolarHBondContact OD1-NE 2.97Å; D1262-R1265 VanDerWaalsContact OD1-NE 3.08Å; D1262-R1265 IonicContact OD1-NH2 3.49Å; D1262-R1265 PolarHBondContact OD1-NH2 2.93Å; D1262-R1265 VanDerWaalsContact OD1-NH2 3.15Å; R1265-S1268 PolarHBondContact O-N 3.16Å; R1265-L1269 VanDerWaalsContact O-CB 3.3Å; R1265-L1269 WeakPolarHBondContact O-CB 3.26Å; R1265-L1269 PolarHBondContact O-N 3.48Å
1266L90.8Very high89.2Confident2 Ų267 Ų671%0.0133%0.326CS..Hα-helixtrans-63.6-41.7-179.9-70.4168.2000111.7I1237 V1241 A1250 I1251 D1262 S1268 L1269 Y1270I1237-L1266 HydrophobicContact CG2-CD1 3.8Å; V1241-L1266 HydrophobicContact CG2-CD2 4.26Å; A1250-L1266 HydrophobicContact CB-CD1 4.07Å; I1251-L1266 HydrophobicContact CD1-CB 4.37Å; I1251-L1266 HydrophobicContact CG1-CB 3.62Å; D1262-L1266 VanDerWaalsContact O-CB 3.31Å; D1262-L1266 WeakPolarHBondContact O-CB 3.4Å; D1262-L1266 VanDerWaalsContact O-CG 3.23Å; D1262-L1266 WeakPolarHBondContact O-CG 3.16Å; D1262-L1266 PolarHBondContact O-N 3.09Å; L1266-S1268 VanDerWaalsContact C-N 3.28Å; L1266-S1268 PolarHBondContact O-N 2.6Å; L1266-L1269 PolarHBondContact O-N 2.9Å; L1266-Y1270 HydrophobicContact CD2-CD2 4.23Å; L1266-Y1270 HydrophobicContact CD2-CE2 3.81Å; L1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; L1266-Y1270 PolarHBondContact O-N 3.49Å
1267A91.6Very high89.2Confident0 Ų067.6 Ų67.60%033%0.332CS..Hα-helixtrans-61.6-38.2175.800000112I1251 A1263 N1271 K1272 Q1273 L1276I1251-A1267 HydrophobicContact CD1-CB 4.19Å; A1263-A1267 WeakPolarHBondContact O-CB 3.35Å; A1263-A1267 PolarHBondContact O-N 2.94Å; A1267-N1271 CarbonylContact O-C 3.53Å; A1267-N1271 WeakPolarHBondContact O-CA 3.28Å; A1267-N1271 PolarHBondContact O-N 2.81Å; A1267-N1271 VanDerWaalsContact O-N 3.12Å; A1267-K1272 PolarHBondContact O-N 2.88Å; A1267-Q1273 HydrophobicContact CB-CG 4.42Å; A1267-L1276 HydrophobicContact CB-CB 3.95Å; A1267-L1276 HydrophobicContact CB-CD2 3.82Å; A1267-L1276 HydrophobicContact CB-CG 4.47Å
1268S90.9Very high89.3Confident63 Ų6372.7 Ų72.744%0.44135%0.354SS..Hα-helixtrans-73.6-40.3176.7-56.30000111.8H1264 R1265 L1266 Q1273H1264-S1268 WeakPolarHBondContact O-CB 3.18Å; H1264-S1268 PolarHBondContact O-N 2.89Å; H1264-S1268 PolarHBondContact O-OG 2.91Å; R1265-S1268 PolarHBondContact O-N 3.16Å; L1266-S1268 VanDerWaalsContact C-N 3.28Å; L1266-S1268 PolarHBondContact O-N 2.6Å; S1268-Q1273 PolarHBondContact OG-NE2 2.92Å
1269L91.9Very high89.4Confident113 Ų11372.8 Ų72.859%0.59235%0.352SS*.Hα-helixtrans-69.8-34.9-176.7-154.6122.7000112.8R1265 L1266R1265-L1269 VanDerWaalsContact O-CB 3.3Å; R1265-L1269 WeakPolarHBondContact O-CB 3.26Å; R1265-L1269 PolarHBondContact O-N 3.48Å; L1266-L1269 PolarHBondContact O-N 2.9Å
1270Y91.6Very high89.4Confident86 Ų8671.7 Ų71.734%0.33735%0.346SS..THydrogen-bonded Turntrans-105.510.6179.9-64.9-78000113.9V1241 P1247 L1266V1241-Y1270 WeakPolarHBondContact CG1-OH 3.26Å; P1247-Y1270 HydrophobicContact CB-CD1 3.78Å; P1247-Y1270 HydrophobicContact CB-CD2 3.53Å; P1247-Y1270 HydrophobicContact CB-CE1 4.1Å; P1247-Y1270 HydrophobicContact CB-CE2 3.88Å; P1247-Y1270 HydrophobicContact CB-CG 3.48Å; P1247-Y1270 VanDerWaalsContact CB-CG 3.48Å; P1247-Y1270 HydrophobicContact CG-CD1 3.92Å; P1247-Y1270 HydrophobicContact CG-CE1 4.35Å; P1247-Y1270 HydrophobicContact CG-CG 4.01Å; L1266-Y1270 HydrophobicContact CD2-CD2 4.23Å; L1266-Y1270 HydrophobicContact CD2-CE2 3.81Å; L1266-Y1270 WeakPolarHBondContact O-CD2 3.39Å; L1266-Y1270 PolarHBondContact O-N 3.49Å
1271N90.7Very high89.2Confident139 Ų13977 Ų7774%0.74337%0.37SS*.THydrogen-bonded Turntrans58.149176.8-13612.6000114A1267A1267-N1271 CarbonylContact O-C 3.53Å; A1267-N1271 WeakPolarHBondContact O-CA 3.28Å; A1267-N1271 PolarHBondContact O-N 2.81Å; A1267-N1271 VanDerWaalsContact O-N 3.12Å
1272K91Very high89.2Confident91 Ų9172.7 Ų72.740%0.39636%0.355SS..  trans-123.432.8-176.6-64.5-65.3-178-1790113.6I1251 A1267 E1274 F1275 L1276I1251-K1272 HydrophobicContact CD1-CB 3.67Å; I1251-K1272 HydrophobicContact CD1-CG 4.18Å; A1267-K1272 PolarHBondContact O-N 2.88Å; K1272-E1274 PolarHBondContact O-N 2.86Å; K1272-F1275 HydrophobicContact CB-CB 4.47Å; K1272-F1275 WeakPolarHBondContact O-CB 3.33Å; K1272-F1275 PolarHBondContact O-N 3.2Å; K1272-L1276 PolarHBondContact O-N 3.13Å
1273Q88Confident89.3Confident98 Ų9872.1 Ų72.146%0.45835%0.353SS..Hα-helixtrans-63.7-38.2-177-75.3156.6-2000113.9A1267 S1268 F1275 L1276 N1277A1267-Q1273 HydrophobicContact CB-CG 4.42Å; S1268-Q1273 PolarHBondContact OG-NE2 2.92Å; Q1273-F1275 VanDerWaalsContact C-N 3.3Å; Q1273-F1275 PolarHBondContact O-N 3.11Å; Q1273-L1276 PolarHBondContact O-N 2.93Å; Q1273-N1277 PolarHBondContact O-N 3.09Å
1274E87.2Confident89.2Confident166 Ų16672.1 Ų72.178%0.77635%0.353SS*.Hα-helixtrans-60.8-40.6175.7-73.9-174.3156.800112.4K1272 N1277 Q1278K1272-E1274 PolarHBondContact O-N 2.86Å; E1274-N1277 PolarHBondContact O-N 3.12Å; E1274-Q1278 PolarHBondContact O-N 3.18Å
1275F89.5Confident89.2Confident46 Ų4673.4 Ų73.420%0.20236%0.362CS..Hα-helixtrans-62.1-46.3177.2178.7-112.8000110.5V1248 I1251 K1272 Q1273 N1277 Q1278 I1279V1248-F1275 HydrophobicContact CG1-CE1 3.9Å; V1248-F1275 HydrophobicContact CG1-CZ 3.95Å; I1251-F1275 HydrophobicContact CB-CE1 4.48Å; I1251-F1275 HydrophobicContact CG2-CD1 4.12Å; I1251-F1275 HydrophobicContact CG2-CE1 4.23Å; K1272-F1275 HydrophobicContact CB-CB 4.47Å; K1272-F1275 WeakPolarHBondContact O-CB 3.33Å; K1272-F1275 PolarHBondContact O-N 3.2Å; Q1273-F1275 VanDerWaalsContact C-N 3.3Å; Q1273-F1275 PolarHBondContact O-N 3.11Å; F1275-N1277 VanDerWaalsContact C-N 3.34Å; F1275-N1277 PolarHBondContact O-N 2.89Å; F1275-Q1278 PolarHBondContact O-N 2.92Å; F1275-I1279 HydrophobicContact CD1-CD1 3.73Å; F1275-I1279 HydrophobicContact CD2-CD1 4.4Å; F1275-I1279 HydrophobicContact CE1-CD1 3.31Å; F1275-I1279 HydrophobicContact CE1-CG1 4.43Å; F1275-I1279 HydrophobicContact CE2-CD1 4.04Å; F1275-I1279 HydrophobicContact CG-CD1 4.27Å; F1275-I1279 HydrophobicContact CZ-CD1 3.48Å; F1275-I1279 VanDerWaalsContact CZ-CD1 3.48Å; F1275-I1279 HydrophobicContact CZ-CG1 4.41Å; F1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; F1275-I1279 PolarHBondContact O-N 2.84Å
1276L89Confident89Confident1 Ų173.7 Ų73.71%0.00537%0.368CS..Hα-helixtrans-56.7-47.9176.2-178.964000111.5I1251 C1255 A1263 H1264 A1267 K1272 Q1273 Q1278 I1279 L1280I1251-L1276 HydrophobicContact CG2-CD1 4.22Å; C1255-L1276 VanDerWaalsContact SG-CD1 3.56Å; A1263-L1276 HydrophobicContact CB-CD1 3.75Å; H1264-L1276 HydrophobicContact CB-CD2 4.35Å; H1264-L1276 WeakPolarHBondContact ND1-CD2 3.42Å; A1267-L1276 HydrophobicContact CB-CB 3.95Å; A1267-L1276 HydrophobicContact CB-CD2 3.82Å; A1267-L1276 HydrophobicContact CB-CG 4.47Å; K1272-L1276 PolarHBondContact O-N 3.13Å; Q1273-L1276 PolarHBondContact O-N 2.93Å; L1276-Q1278 VanDerWaalsContact C-N 3.25Å; L1276-Q1278 PolarHBondContact O-N 2.78Å; L1276-I1279 PolarHBondContact O-N 2.89Å; L1276-I1279 VanDerWaalsContact O-N 3.16Å; L1276-L1280 HydrophobicContact CD1-CD1 4.12Å; L1276-L1280 VanDerWaalsContact O-CB 3.25Å; L1276-L1280 WeakPolarHBondContact O-CB 3.25Å; L1276-L1280 PolarHBondContact O-N 3.26Å
1277N85.3Confident89Confident108 Ų10874.4 Ų74.458%0.57837%0.372SS*.Hα-helixtrans-60-33.6-178.8-72.5-16.6000113.1Q1273 E1274 F1275Q1273-N1277 PolarHBondContact O-N 3.09Å; E1274-N1277 PolarHBondContact O-N 3.12Å; F1275-N1277 VanDerWaalsContact C-N 3.34Å; F1275-N1277 PolarHBondContact O-N 2.89Å
1278Q86.7Confident89Confident157 Ų15776.3 Ų76.373%0.73438%0.379SS*.Hα-helixtrans-66.9-40.9176.8-78.3-177.4-12.400113E1274 F1275 L1276E1274-Q1278 PolarHBondContact O-N 3.18Å; F1275-Q1278 PolarHBondContact O-N 2.92Å; L1276-Q1278 VanDerWaalsContact C-N 3.25Å; L1276-Q1278 PolarHBondContact O-N 2.78Å
1279I90Very high89.1Confident40 Ų4076.2 Ų76.221%0.20538%0.378CS..Hα-helixtrans-89-31-175.29.3171000112.9F1275 L1276 K1281 S1282 S1283F1275-I1279 HydrophobicContact CD1-CD1 3.73Å; F1275-I1279 HydrophobicContact CD2-CD1 4.4Å; F1275-I1279 HydrophobicContact CE1-CD1 3.31Å; F1275-I1279 HydrophobicContact CE1-CG1 4.43Å; F1275-I1279 HydrophobicContact CE2-CD1 4.04Å; F1275-I1279 HydrophobicContact CG-CD1 4.27Å; F1275-I1279 HydrophobicContact CZ-CD1 3.48Å; F1275-I1279 VanDerWaalsContact CZ-CD1 3.48Å; F1275-I1279 HydrophobicContact CZ-CG1 4.41Å; F1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; F1275-I1279 PolarHBondContact O-N 2.84Å; L1276-I1279 PolarHBondContact O-N 2.89Å; L1276-I1279 VanDerWaalsContact O-N 3.16Å; I1279-K1281 VanDerWaalsContact C-N 3.34Å; I1279-K1281 PolarHBondContact O-N 2.81Å; I1279-S1282 PolarHBondContact O-N 3.38Å; I1279-S1282 PolarHBondContact O-OG 3.43Å; I1279-S1283 PolarHBondContact O-N 3.07Å; I1279-S1283 PolarHBondContact O-OG 3.32Å
1280L88.3Confident89Confident9 Ų974.6 Ų74.65%0.04737%0.37CS..Hα-helixtrans-56.9-45.8-170.5-167.878.4000112.2W1260 L1276 S1283 L1284 T1429W1260-L1280 HydrophobicContact CE3-CD1 3.88Å; W1260-L1280 HydrophobicContact CZ3-CD1 4.17Å; L1276-L1280 HydrophobicContact CD1-CD1 4.12Å; L1276-L1280 VanDerWaalsContact O-CB 3.25Å; L1276-L1280 WeakPolarHBondContact O-CB 3.25Å; L1276-L1280 PolarHBondContact O-N 3.26Å; L1280-S1283 VanDerWaalsContact C-OG 3.3Å; L1280-S1283 VanDerWaalsContact CA-OG 3.28Å; L1280-S1283 WeakPolarHBondContact CA-OG 2.99Å; L1280-S1283 PolarHBondContact O-N 3.07Å; L1280-S1283 PolarHBondContact O-OG 2.94Å; L1280-L1284 HydrophobicContact CD2-CD1 4.35Å; L1280-L1284 HydrophobicContact CG-CD1 3.97Å; L1280-L1284 WeakPolarHBondContact O-CG 3.24Å; L1280-L1284 PolarHBondContact O-N 3.12Å; L1280-T1429 HydrophobicContact CD2-CG2 4.18Å
1281K84.2Confident88.9Confident122 Ų12270.6 Ų70.653%0.5335%0.354SS..Hα-helixtrans-65.5-42.4-177.4-167.4170.5-174.2172.70112.3I1279 L1284 I1285I1279-K1281 VanDerWaalsContact C-N 3.34Å; I1279-K1281 PolarHBondContact O-N 2.81Å; K1281-L1284 PolarHBondContact O-N 3.22Å; K1281-I1285 HydrophobicContact CG-CD1 4.46Å; K1281-I1285 WeakPolarHBondContact O-CG1 2.87Å; K1281-I1285 PolarHBondContact O-N 3.27Å
1282S87.2Confident89Confident69 Ų6967.8 Ų67.848%0.48334%0.335SS..Hα-helixtrans-64.1-42.8175.138.60000111.8I1279 L1284 I1285 E1286I1279-S1282 PolarHBondContact O-N 3.38Å; I1279-S1282 PolarHBondContact O-OG 3.43Å; S1282-L1284 VanDerWaalsContact C-N 3.35Å; S1282-L1284 PolarHBondContact O-N 2.96Å; S1282-I1285 PolarHBondContact O-N 2.79Å; S1282-E1286 PolarHBondContact O-N 3.22Å
1283S88.5Confident89.1Confident19 Ų1968.6 Ų68.613%0.13334%0.34CS..Hα-helixtrans-65.9-34.8178.446.30000113I1279 L1280 H1287I1279-S1283 PolarHBondContact O-N 3.07Å; I1279-S1283 PolarHBondContact O-OG 3.32Å; L1280-S1283 VanDerWaalsContact C-OG 3.3Å; L1280-S1283 VanDerWaalsContact CA-OG 3.28Å; L1280-S1283 WeakPolarHBondContact CA-OG 2.99Å; L1280-S1283 PolarHBondContact O-N 3.07Å; L1280-S1283 PolarHBondContact O-OG 2.94Å; S1283-H1287 VanDerWaalsContact O-CB 3.27Å; S1283-H1287 WeakPolarHBondContact O-CB 3.4Å; S1283-H1287 PolarHBondContact O-N 2.8Å
1284L89.1Confident89.3Confident0 Ų068.2 Ų68.20%033%0.334CS..Hα-helixtrans-70.1-37.4178.6-80164000112.9W1260 L1280 K1281 S1282 H1287 Y1288 E1425 F1426 T1429 M1431W1260-L1284 HydrophobicContact CH2-CD2 4.11Å; W1260-L1284 HydrophobicContact CH2-CG 4.34Å; W1260-L1284 HydrophobicContact CZ2-CD2 3.86Å; L1280-L1284 HydrophobicContact CD2-CD1 4.35Å; L1280-L1284 HydrophobicContact CG-CD1 3.97Å; L1280-L1284 WeakPolarHBondContact O-CG 3.24Å; L1280-L1284 PolarHBondContact O-N 3.12Å; K1281-L1284 PolarHBondContact O-N 3.22Å; S1282-L1284 VanDerWaalsContact C-N 3.35Å; S1282-L1284 PolarHBondContact O-N 2.96Å; L1284-H1287 PolarHBondContact O-N 2.95Å; L1284-Y1288 WeakPolarHBondContact O-CB 3.12Å; L1284-Y1288 PolarHBondContact O-N 2.89Å; L1284-E1425 HydrophobicContact CD1-CB 4.04Å; L1284-E1425 HydrophobicContact CD2-CB 3.7Å; L1284-F1426 HydrophobicContact CB-CE1 4.27Å; L1284-F1426 HydrophobicContact CD2-CD1 4.25Å; L1284-F1426 HydrophobicContact CD2-CE1 4Å; L1284-F1426 HydrophobicContact CD2-CZ 4.48Å; L1284-T1429 HydrophobicContact CD1-CG2 3.58Å; L1284-M1431 HydrophobicContact CB-SD 4.44Å
1285I89.4Confident89.6Confident92 Ų9260.3 Ų60.347%0.47230%0.298SS..Hα-helixtrans-64.6-45.6176.5-68.9167.8000110.4K1281 S1282 Y1288 S1289 M1431K1281-I1285 HydrophobicContact CG-CD1 4.46Å; K1281-I1285 WeakPolarHBondContact O-CG1 2.87Å; K1281-I1285 PolarHBondContact O-N 3.27Å; S1282-I1285 PolarHBondContact O-N 2.79Å; I1285-Y1288 PolarHBondContact O-N 2.84Å; I1285-S1289 PolarHBondContact O-N 2.86Å; I1285-S1289 VanDerWaalsContact O-N 3.14Å; I1285-M1431 HydrophobicContact CG1-CE 3.89Å; I1285-M1431 HydrophobicContact CG1-SD 4.19Å
1286E89.4Confident89.8Confident126 Ų12662.6 Ų62.659%0.58931%0.309SS*.Hα-helixtrans-62.3-47176.4-170.2174.8-177.900110.6S1282 Y1288 S1289 I1290S1282-E1286 PolarHBondContact O-N 3.22Å; E1286-Y1288 PolarHBondContact O-N 3.27Å; E1286-S1289 PolarHBondContact O-N 2.86Å; E1286-S1289 VanDerWaalsContact O-N 3.16Å; E1286-S1289 PolarHBondContact O-OG 3.42Å; E1286-I1290 HydrophobicContact CG-CD1 4.02Å; E1286-I1290 WeakPolarHBondContact O-CG1 3.41Å; E1286-I1290 PolarHBondContact O-N 3.06Å; E1286-I1290 VanDerWaalsContact O-N 3.09Å
1287H90Very high90Very high18 Ų1868.4 Ų68.48%0.08333%0.334CS..Hα-helixtrans-58.6-44.3177-176.962.5000112.7C1258 W1260 S1283 L1284 S1289 I1290 L1291 S1422C1258-H1287 VanDerWaalsContact SG-CE1 3.53Å; C1258-H1287 PolarHBondContact SG-ND1 3.47Å; W1260-H1287 HydrophobicContact CZ2-CB 4.34Å; W1260-H1287 AromaticContact CZ2-CD2 3.92Å; S1283-H1287 VanDerWaalsContact O-CB 3.27Å; S1283-H1287 WeakPolarHBondContact O-CB 3.4Å; S1283-H1287 PolarHBondContact O-N 2.8Å; L1284-H1287 PolarHBondContact O-N 2.95Å; H1287-S1289 VanDerWaalsContact C-N 3.34Å; H1287-S1289 PolarHBondContact O-N 2.49Å; H1287-I1290 PolarHBondContact O-N 2.98Å; H1287-L1291 WeakPolarHBondContact NE2-CD1 3.37Å; H1287-L1291 WeakPolarHBondContact O-CB 3.09Å; H1287-L1291 PolarHBondContact O-N 2.76Å; H1287-S1422 PolarHBondContact CD2-OG 3.43Å; H1287-S1422 PolarHBondContact NE2-OG 2.88Å
1288Y92Very high90.3Very high39 Ų3963.5 Ų63.515%0.15331%0.308CS..Hα-helixtrans-56.3-47175.2166.3-104.2000111.8L1284 I1285 E1286 I1290 L1291 K1292 E1434 L1438L1284-Y1288 WeakPolarHBondContact O-CB 3.12Å; L1284-Y1288 PolarHBondContact O-N 2.89Å; I1285-Y1288 PolarHBondContact O-N 2.84Å; E1286-Y1288 PolarHBondContact O-N 3.27Å; Y1288-I1290 PolarHBondContact O-N 2.86Å; Y1288-L1291 PolarHBondContact O-N 3.05Å; Y1288-K1292 HydrophobicContact CE1-CD 4.28Å; Y1288-K1292 VanDerWaalsContact O-CB 3.3Å; Y1288-K1292 WeakPolarHBondContact O-CB 3.29Å; Y1288-K1292 PolarHBondContact O-N 3.15Å; Y1288-E1434 HydrophobicContact CD1-CG 4.08Å; Y1288-E1434 HydrophobicContact CD2-CB 3.58Å; Y1288-E1434 HydrophobicContact CD2-CG 4.03Å; Y1288-E1434 HydrophobicContact CE1-CG 3.96Å; Y1288-E1434 HydrophobicContact CE2-CB 3.53Å; Y1288-E1434 HydrophobicContact CE2-CG 3.89Å; Y1288-E1434 HydrophobicContact CG-CB 4.1Å; Y1288-E1434 HydrophobicContact CG-CG 4.11Å; Y1288-L1438 HydrophobicContact CD2-CD1 3.86Å; Y1288-L1438 HydrophobicContact CD2-CD2 4.46Å; Y1288-L1438 HydrophobicContact CD2-CG 4.05Å; Y1288-L1438 HydrophobicContact CE2-CD1 4.39Å; Y1288-L1438 HydrophobicContact CE2-CD2 4.48Å; Y1288-L1438 HydrophobicContact CE2-CG 4.09Å
1289S91.9Very high90.6Very high61 Ų6157 Ų5743%0.42728%0.278SS..Hα-helixtrans-62.3-43.6-178.669.80000112.1I1285 E1286 H1287 E1293I1285-S1289 PolarHBondContact O-N 2.86Å; I1285-S1289 VanDerWaalsContact O-N 3.14Å; E1286-S1289 PolarHBondContact O-N 2.86Å; E1286-S1289 VanDerWaalsContact O-N 3.16Å; E1286-S1289 PolarHBondContact O-OG 3.42Å; H1287-S1289 VanDerWaalsContact C-N 3.34Å; H1287-S1289 PolarHBondContact O-N 2.49Å; S1289-E1293 PolarHBondContact O-N 2.78Å; S1289-E1293 VanDerWaalsContact O-N 3.12Å
1290I90.5Very high90.8Very high80 Ų8059.2 Ų59.241%0.4129%0.291SS..Hα-helixtrans-66.1-45.7177.7-65168000110.8E1286 H1287 Y1288 K1292 E1293 R1294E1286-I1290 HydrophobicContact CG-CD1 4.02Å; E1286-I1290 WeakPolarHBondContact O-CG1 3.41Å; E1286-I1290 PolarHBondContact O-N 3.06Å; E1286-I1290 VanDerWaalsContact O-N 3.09Å; H1287-I1290 PolarHBondContact O-N 2.98Å; Y1288-I1290 PolarHBondContact O-N 2.86Å; I1290-K1292 PolarHBondContact O-N 2.62Å; I1290-E1293 PolarHBondContact O-N 2.87Å; I1290-R1294 HydrophobicContact CG2-CG 4.49Å; I1290-R1294 WeakPolarHBondContact O-CB 3.28Å; I1290-R1294 WeakPolarHBondContact O-CG 3.47Å; I1290-R1294 PolarHBondContact O-N 2.83Å
1291L90.1Very high91Very high1 Ų162.2 Ų62.21%0.00531%0.309CS..Hα-helixtrans-62-44.4179.5-106.5170.3000111.6H1287 Y1288 R1294 L1295 L1415 E1418 V1419 L1438H1287-L1291 WeakPolarHBondContact NE2-CD1 3.37Å; H1287-L1291 WeakPolarHBondContact O-CB 3.09Å; H1287-L1291 PolarHBondContact O-N 2.76Å; Y1288-L1291 PolarHBondContact O-N 3.05Å; L1291-R1294 PolarHBondContact O-N 2.92Å; L1291-L1295 WeakPolarHBondContact O-CB 3.31Å; L1291-L1295 PolarHBondContact O-N 3.25Å; L1291-L1415 HydrophobicContact CD2-CD2 4Å; L1291-E1418 HydrophobicContact CD2-CB 4.26Å; L1291-V1419 HydrophobicContact CD1-CG2 4.31Å; L1291-V1419 HydrophobicContact CD2-CG2 3.76Å; L1291-L1438 HydrophobicContact CB-CD2 4.04Å; L1291-L1438 HydrophobicContact CD1-CD1 4.34Å
1292K92.5Very high91.5Very high80 Ų8056.6 Ų56.635%0.34829%0.285SS..Hα-helixtrans-61.1-45.7178.5-176.6-178.8-178.1177.40111.5Y1288 I1290 L1295 H1296 L1438Y1288-K1292 HydrophobicContact CE1-CD 4.28Å; Y1288-K1292 VanDerWaalsContact O-CB 3.3Å; Y1288-K1292 WeakPolarHBondContact O-CB 3.29Å; Y1288-K1292 PolarHBondContact O-N 3.15Å; I1290-K1292 PolarHBondContact O-N 2.62Å; K1292-L1295 PolarHBondContact O-N 2.83Å; K1292-H1296 PolarHBondContact O-N 2.94Å; K1292-L1438 HydrophobicContact CB-CD2 4.41Å
1293E92.7Very high91.8Very high109 Ų10955.6 Ų55.651%0.50927%0.274SS..Hα-helixtrans-65.5-43.1178.4-163.3-166.2148.900111.6S1289 I1290 L1295 H1296 K1297S1289-E1293 PolarHBondContact O-N 2.78Å; S1289-E1293 VanDerWaalsContact O-N 3.12Å; I1290-E1293 PolarHBondContact O-N 2.87Å; E1293-L1295 VanDerWaalsContact C-N 3.35Å; E1293-L1295 PolarHBondContact O-N 3.38Å; E1293-H1296 PolarHBondContact O-N 3.04Å; E1293-K1297 PolarHBondContact O-N 3.13Å; E1293-K1297 IonicContact OE1-NZ 3.94Å; E1293-K1297 PolarHBondContact OE1-NZ 3.28Å
1294R92.8Very high92Very high89 Ų8961.9 Ų61.934%0.33630%0.299SS..Hα-helixtrans-60-43.3175.9-78.3177.769.8-164.8-1.8112I1290 L1291 S1298 L1415 E1418I1290-R1294 HydrophobicContact CG2-CG 4.49Å; I1290-R1294 WeakPolarHBondContact O-CB 3.28Å; I1290-R1294 WeakPolarHBondContact O-CG 3.47Å; I1290-R1294 PolarHBondContact O-N 2.83Å; L1291-R1294 PolarHBondContact O-N 2.92Å; R1294-S1298 WeakPolarHBondContact O-CB 3.02Å; R1294-S1298 PolarHBondContact O-N 3.09Å; R1294-L1415 HydrophobicContact CB-CD2 4.05Å; R1294-E1418 IonicContact CZ-OE1 3.18Å; R1294-E1418 IonicContact CZ-OE2 3.96Å; R1294-E1418 VanDerWaalsContact NH1-CD 3.33Å; R1294-E1418 IonicContact NH1-OE1 2.77Å; R1294-E1418 PolarHBondContact NH1-OE1 2.8Å; R1294-E1418 IonicContact NH1-OE2 3.15Å; R1294-E1418 PolarHBondContact NH1-OE2 2.84Å; R1294-E1418 IonicContact NH2-OE1 3.43Å; R1294-E1418 PolarHBondContact NH2-OE1 2.84Å; R1294-E1418 IonicContact NH2-OE2 2.91Å
1295L92.5Very high92.2Very high1 Ų162.9 Ų62.91%0.00530%0.304CS..Hα-helixtrans-61.7-48.9176.9-101.2152.5000111.8L1291 K1292 E1293 S1298 I1299 V1419 L1438 T1442 L1445L1291-L1295 WeakPolarHBondContact O-CB 3.31Å; L1291-L1295 PolarHBondContact O-N 3.25Å; K1292-L1295 PolarHBondContact O-N 2.83Å; E1293-L1295 VanDerWaalsContact C-N 3.35Å; E1293-L1295 PolarHBondContact O-N 3.38Å; L1295-S1298 PolarHBondContact O-N 3.41Å; L1295-I1299 WeakPolarHBondContact O-CG1 3.47Å; L1295-I1299 PolarHBondContact O-N 2.96Å; L1295-V1419 HydrophobicContact CD1-CG2 3.95Å; L1295-L1438 HydrophobicContact CD1-CD2 3.82Å; L1295-T1442 WeakPolarHBondContact CD1-OG1 3.17Å; L1295-T1442 HydrophobicContact CD2-CG2 4.31Å; L1295-L1445 HydrophobicContact CD2-CD2 4.28Å
1296H93.6Very high92.5Very high94 Ų9460.6 Ų60.644%0.43529%0.291SS..Hα-helixtrans-59.8-48.3177.4-95.7-80000112.2K1292 E1293 S1298 I1299 D1300K1292-H1296 PolarHBondContact O-N 2.94Å; E1293-H1296 PolarHBondContact O-N 3.04Å; H1296-S1298 VanDerWaalsContact C-N 3.3Å; H1296-S1298 PolarHBondContact O-N 2.61Å; H1296-I1299 PolarHBondContact O-N 2.71Å; H1296-D1300 PolarHBondContact O-N 3.1Å
1297K92.5Very high92.7Very high123 Ų12359.3 Ų59.354%0.53529%0.288SS..Hα-helixtrans-59.1-41.4175.5-92.2174.3174.6155.50112E1293 I1299 D1300 T1301E1293-K1297 PolarHBondContact O-N 3.13Å; E1293-K1297 IonicContact OE1-NZ 3.94Å; E1293-K1297 PolarHBondContact OE1-NZ 3.28Å; K1297-I1299 VanDerWaalsContact C-N 3.34Å; K1297-I1299 PolarHBondContact O-N 2.91Å; K1297-D1300 PolarHBondContact O-N 3.06Å; K1297-T1301 WeakPolarHBondContact O-CB 3.31Å; K1297-T1301 PolarHBondContact O-N 3.18Å; K1297-T1301 PolarHBondContact O-OG1 3.12Å
1298S92.3Very high92.8Very high5 Ų562.2 Ų62.24%0.03530%0.298CS..Hα-helixtrans-64.7-39.1179.8-170.20000112.2R1294 L1295 H1296 Y1302R1294-S1298 WeakPolarHBondContact O-CB 3.02Å; R1294-S1298 PolarHBondContact O-N 3.09Å; L1295-S1298 PolarHBondContact O-N 3.41Å; H1296-S1298 VanDerWaalsContact C-N 3.3Å; H1296-S1298 PolarHBondContact O-N 2.61Å; S1298-Y1302 WeakPolarHBondContact O-CB 3.07Å; S1298-Y1302 PolarHBondContact O-N 3.25Å
1299I93.7Very high92.8Very high19 Ų1960.3 Ų60.310%0.09729%0.291CS..Hα-helixtrans-63.9-52.4175.6-67.2164.5000110L1295 H1296 K1297 T1301 Y1302 D1303 L1445L1295-I1299 WeakPolarHBondContact O-CG1 3.47Å; L1295-I1299 PolarHBondContact O-N 2.96Å; H1296-I1299 PolarHBondContact O-N 2.71Å; K1297-I1299 VanDerWaalsContact C-N 3.34Å; K1297-I1299 PolarHBondContact O-N 2.91Å; I1299-T1301 VanDerWaalsContact C-N 3.3Å; I1299-T1301 PolarHBondContact O-N 3.18Å; I1299-Y1302 PolarHBondContact O-N 2.76Å; I1299-D1303 PolarHBondContact O-N 2.87Å; I1299-L1445 HydrophobicContact CB-CD1 4.46Å; I1299-L1445 HydrophobicContact CD1-CB 4.34Å; I1299-L1445 HydrophobicContact CG1-CB 3.81Å; I1299-L1445 HydrophobicContact CG1-CD1 3.78Å; I1299-L1445 HydrophobicContact CG1-CG 4.25Å
1300D93.4Very high92.7Very high88 Ų8860 Ų6047%0.47128%0.284SS..Hα-helixtrans-60.6-39-179.4-80.30.5000112.7H1296 K1297 K1304H1296-D1300 PolarHBondContact O-N 3.1Å; K1297-D1300 PolarHBondContact O-N 3.06Å; D1300-K1304 WeakPolarHBondContact O-CG 2.8Å; D1300-K1304 PolarHBondContact O-N 2.96Å; D1300-K1304 VanDerWaalsContact O-N 3.15Å
1301T91.8Very high92.7Very high72 Ų7259.3 Ų59.344%0.44228%0.283SS..Hα-helixtrans-69.8-42.5-179.6-48.60000110.6K1297 I1299 K1304 L1305K1297-T1301 WeakPolarHBondContact O-CB 3.31Å; K1297-T1301 PolarHBondContact O-N 3.18Å; K1297-T1301 PolarHBondContact O-OG1 3.12Å; I1299-T1301 VanDerWaalsContact C-N 3.3Å; I1299-T1301 PolarHBondContact O-N 3.18Å; T1301-K1304 PolarHBondContact O-N 3.45Å; T1301-L1305 HydrophobicContact CG2-CD1 4.05Å; T1301-L1305 HydrophobicContact CG2-CG 4.46Å; T1301-L1305 VanDerWaalsContact O-CG 3.26Å; T1301-L1305 WeakPolarHBondContact O-CG 3.25Å; T1301-L1305 PolarHBondContact O-N 3.06Å; T1301-L1305 VanDerWaalsContact O-N 3.07Å
1302Y95Very high92.7Very high4 Ų459.6 Ų59.62%0.01629%0.285CS..Hα-helixtrans-59.9-48.7176.2178.3-95.4000111.5S1298 I1299 K1304 L1305 F1306 L1405 I1409 K1448 Q1449 I1456S1298-Y1302 WeakPolarHBondContact O-CB 3.07Å; S1298-Y1302 PolarHBondContact O-N 3.25Å; I1299-Y1302 PolarHBondContact O-N 2.76Å; Y1302-K1304 PolarHBondContact O-N 3.29Å; Y1302-L1305 PolarHBondContact O-N 2.71Å; Y1302-F1306 HydrophobicContact CE1-CB 4.44Å; Y1302-F1306 WeakPolarHBondContact O-CB 3.2Å; Y1302-F1306 PolarHBondContact O-N 3.45Å; Y1302-L1405 HydrophobicContact CD2-CD2 3.88Å; Y1302-L1405 HydrophobicContact CE2-CD2 3.79Å; Y1302-I1409 HydrophobicContact CE2-CG1 4.33Å; Y1302-K1448 HydrophobicContact CD1-CB 4.37Å; Y1302-K1448 HydrophobicContact CE1-CB 4.04Å; Y1302-K1448 PolarHBondContact OH-O 3.31Å; Y1302-Q1449 HydrophobicContact CD1-CG 4.49Å; Y1302-Q1449 HydrophobicContact CD2-CG 3.83Å; Y1302-Q1449 HydrophobicContact CE1-CG 4.35Å; Y1302-Q1449 HydrophobicContact CE2-CB 4.41Å; Y1302-Q1449 HydrophobicContact CE2-CG 3.67Å; Y1302-Q1449 HydrophobicContact CG-CG 4.25Å; Y1302-Q1449 WeakPolarHBondContact OH-CA 3.29Å; Y1302-I1456 HydrophobicContact CE2-CD1 4.43Å
1303D94.2Very high92.4Very high47 Ų4757.6 Ų57.625%0.25128%0.275SS..Hα-helixtrans-58.7-47.8-179.6-70.8-23.9000110.9I1299 L1305 F1306 D1307 K1448I1299-D1303 PolarHBondContact O-N 2.87Å; D1303-L1305 PolarHBondContact O-N 3.5Å; D1303-F1306 PolarHBondContact O-N 2.98Å; D1303-D1307 WeakPolarHBondContact O-CB 3.44Å; D1303-D1307 PolarHBondContact O-N 2.98Å; D1303-K1448 WeakPolarHBondContact OD1-CD 3.22Å; D1303-K1448 IonicContact OD1-NZ 2.65Å; D1303-K1448 PolarHBondContact OD1-NZ 3.47Å; D1303-K1448 IonicContact OD2-NZ 2.63Å; D1303-K1448 PolarHBondContact OD2-NZ 2.6Å
1304K93.2Very high92Very high152 Ų15258.2 Ų58.266%0.66128%0.278SS*.Hα-helixtrans-60.6-42.6178.2-76174.5-178.7170.60113.5D1300 T1301 Y1302 R1308D1300-K1304 WeakPolarHBondContact O-CG 2.8Å; D1300-K1304 PolarHBondContact O-N 2.96Å; D1300-K1304 VanDerWaalsContact O-N 3.15Å; T1301-K1304 PolarHBondContact O-N 3.45Å; Y1302-K1304 PolarHBondContact O-N 3.29Å; K1304-R1308 WeakPolarHBondContact O-CB 2.95Å; K1304-R1308 PolarHBondContact O-N 3.14Å; K1304-R1308 VanDerWaalsContact O-N 3.1Å
1305L93.3Very high91.7Very high20 Ų2058.7 Ų58.711%0.10529%0.285CS..Hα-helixtrans-69.2-42-179.6-70.2172.6000111.6T1301 Y1302 D1303 R1308 L1309 L1401 E1404 L1405T1301-L1305 HydrophobicContact CG2-CD1 4.05Å; T1301-L1305 HydrophobicContact CG2-CG 4.46Å; T1301-L1305 VanDerWaalsContact O-CG 3.26Å; T1301-L1305 WeakPolarHBondContact O-CG 3.25Å; T1301-L1305 PolarHBondContact O-N 3.06Å; T1301-L1305 VanDerWaalsContact O-N 3.07Å; Y1302-L1305 PolarHBondContact O-N 2.71Å; D1303-L1305 PolarHBondContact O-N 3.5Å; L1305-R1308 PolarHBondContact O-N 3.26Å; L1305-L1309 PolarHBondContact O-N 3.24Å; L1305-L1401 HydrophobicContact CD2-CD2 3.72Å; L1305-E1404 HydrophobicContact CD1-CB 3.79Å; L1305-E1404 HydrophobicContact CD2-CB 4.29Å; L1305-E1404 WeakPolarHBondContact CD2-OE2 3.2Å; L1305-L1405 HydrophobicContact CB-CD2 3.75Å; L1305-L1405 HydrophobicContact CB-CG 3.96Å
1306F94.3Very high91.1Very high44 Ų4462.3 Ų62.319%0.19330%0.302CS..Hα-helixtrans-62.4-48.1178.1-174.8-96.3000110.9Y1302 D1303 R1308 L1309 I1310 L1405 I1456Y1302-F1306 HydrophobicContact CE1-CB 4.44Å; Y1302-F1306 WeakPolarHBondContact O-CB 3.2Å; Y1302-F1306 PolarHBondContact O-N 3.45Å; D1303-F1306 PolarHBondContact O-N 2.98Å; F1306-R1308 VanDerWaalsContact C-N 3.35Å; F1306-R1308 PolarHBondContact O-N 3.22Å; F1306-L1309 PolarHBondContact O-N 3.03Å; F1306-I1310 HydrophobicContact CD1-CG1 4.38Å; F1306-I1310 HydrophobicContact CE1-CD1 4.49Å; F1306-I1310 HydrophobicContact CE1-CG1 4.07Å; F1306-I1310 HydrophobicContact CZ-CD1 4.3Å; F1306-I1310 HydrophobicContact CZ-CG1 4.33Å; F1306-I1310 WeakPolarHBondContact O-CG1 3.3Å; F1306-I1310 PolarHBondContact O-N 3.3Å; F1306-I1310 VanDerWaalsContact O-N 3.14Å; F1306-L1405 HydrophobicContact CB-CD2 4.35Å; F1306-I1456 HydrophobicContact CD2-CD1 3.9Å; F1306-I1456 HydrophobicContact CD2-CG1 3.75Å; F1306-I1456 HydrophobicContact CE2-CD1 4.15Å; F1306-I1456 HydrophobicContact CE2-CG1 3.74Å
1307D93.5Very high90.3Very high100 Ų10064.5 Ų64.554%0.53531%0.31SS..Hα-helixtrans-61.6-41.3177.9-72.7-17.2000112D1303 L1309 I1310 T1311D1303-D1307 WeakPolarHBondContact O-CB 3.44Å; D1303-D1307 PolarHBondContact O-N 2.98Å; D1307-L1309 PolarHBondContact O-N 2.75Å; D1307-I1310 PolarHBondContact O-N 2.94Å; D1307-T1311 WeakPolarHBondContact O-CB 3.33Å; D1307-T1311 PolarHBondContact O-N 2.86Å; D1307-T1311 PolarHBondContact O-OG1 3.07Å
1308R93.2Very high89.5Confident78 Ų7864.8 Ų64.829%0.29431%0.314SS..Hα-helixtrans-63.9-40.9177.6-177.659.9-177.8167.25.6112.1K1304 L1305 F1306 T1311 L1312 E1397 L1401K1304-R1308 WeakPolarHBondContact O-CB 2.95Å; K1304-R1308 PolarHBondContact O-N 3.14Å; K1304-R1308 VanDerWaalsContact O-N 3.1Å; L1305-R1308 PolarHBondContact O-N 3.26Å; F1306-R1308 VanDerWaalsContact C-N 3.35Å; F1306-R1308 PolarHBondContact O-N 3.22Å; R1308-T1311 PolarHBondContact O-N 2.84Å; R1308-L1312 WeakPolarHBondContact O-CB 3.5Å; R1308-L1312 PolarHBondContact O-N 3.03Å; R1308-E1397 IonicContact CZ-OE1 3.95Å; R1308-E1397 IonicContact NE-OE1 3.39Å; R1308-E1397 PolarHBondContact NE-OE1 2.9Å; R1308-E1397 IonicContact NH2-OE1 3.59Å; R1308-E1397 PolarHBondContact NH2-OE1 3.5Å; R1308-E1397 IonicContact NH2-OE2 3.41Å; R1308-E1397 PolarHBondContact NH2-OE2 3.28Å; R1308-L1401 HydrophobicContact CB-CD1 4.44Å; R1308-L1401 HydrophobicContact CB-CD2 4.33Å; R1308-L1401 HydrophobicContact CG-CD1 3.83Å; R1308-L1401 HydrophobicContact CG-CD2 4.1Å
1309L91.3Very high88.7Confident0 Ų070.3 Ų70.30%034%0.339CS..Hα-helixtrans-61.8-47.4177.9-179.370.2000111.5L1305 F1306 D1307 T1311 L1312 R1313 E1398 L1401 L1402 L1405 I1456L1305-L1309 PolarHBondContact O-N 3.24Å; F1306-L1309 PolarHBondContact O-N 3.03Å; D1307-L1309 PolarHBondContact O-N 2.75Å; L1309-T1311 VanDerWaalsContact C-N 3.33Å; L1309-T1311 PolarHBondContact O-N 2.87Å; L1309-L1312 PolarHBondContact O-N 2.86Å; L1309-R1313 PolarHBondContact O-N 2.83Å; L1309-E1398 HydrophobicContact CD1-CG 3.73Å; L1309-L1401 HydrophobicContact CB-CD1 4.46Å; L1309-L1401 HydrophobicContact CD1-CB 4.22Å; L1309-L1401 HydrophobicContact CD1-CD1 4.44Å; L1309-L1402 HydrophobicContact CD2-CD2 4.4Å; L1309-L1405 HydrophobicContact CB-CD1 4.32Å; L1309-L1405 HydrophobicContact CD2-CD1 3.72Å; L1309-I1456 HydrophobicContact CD2-CB 4.28Å; L1309-I1456 HydrophobicContact CD2-CG1 4.21Å; L1309-I1456 HydrophobicContact CD2-CG2 4.01Å
1310I91Very high87.4Confident55 Ų5571.9 Ų71.928%0.28236%0.355SS..Hα-helixtrans-60.2-46.3178.1-63.4-70.2000110.3F1306 D1307 L1312 R1313 Q1314F1306-I1310 HydrophobicContact CD1-CG1 4.38Å; F1306-I1310 HydrophobicContact CE1-CD1 4.49Å; F1306-I1310 HydrophobicContact CE1-CG1 4.07Å; F1306-I1310 HydrophobicContact CZ-CD1 4.3Å; F1306-I1310 HydrophobicContact CZ-CG1 4.33Å; F1306-I1310 WeakPolarHBondContact O-CG1 3.3Å; F1306-I1310 PolarHBondContact O-N 3.3Å; F1306-I1310 VanDerWaalsContact O-N 3.14Å; D1307-I1310 PolarHBondContact O-N 2.94Å; I1310-L1312 VanDerWaalsContact C-N 3.34Å; I1310-L1312 PolarHBondContact O-N 3.5Å; I1310-R1313 PolarHBondContact O-N 2.94Å; I1310-Q1314 PolarHBondContact O-N 2.84Å; I1310-Q1314 VanDerWaalsContact O-N 3.1Å
1311T90.4Very high86.1Confident64 Ų6473 Ų7339%0.39336%0.357SS..Hα-helixtrans-60.7-42.6178.6-47.90000111.6D1307 R1308 L1309 Q1314 M1315D1307-T1311 WeakPolarHBondContact O-CB 3.33Å; D1307-T1311 PolarHBondContact O-N 2.86Å; D1307-T1311 PolarHBondContact O-OG1 3.07Å; R1308-T1311 PolarHBondContact O-N 2.84Å; L1309-T1311 VanDerWaalsContact C-N 3.33Å; L1309-T1311 PolarHBondContact O-N 2.87Å; T1311-Q1314 PolarHBondContact O-N 2.84Å; T1311-M1315 PolarHBondContact O-N 3.12Å
1312L88.7Confident84.9Confident8 Ų873.7 Ų73.74%0.04236%0.361CS..Hα-helixtrans-66.2-40.7-179.9-167.7121.1000112.5R1308 L1309 I1310 Q1314 M1315 H1316 E1397 E1398R1308-L1312 WeakPolarHBondContact O-CB 3.5Å; R1308-L1312 PolarHBondContact O-N 3.03Å; L1309-L1312 PolarHBondContact O-N 2.86Å; I1310-L1312 VanDerWaalsContact C-N 3.34Å; I1310-L1312 PolarHBondContact O-N 3.5Å; L1312-Q1314 VanDerWaalsContact C-N 3.34Å; L1312-Q1314 PolarHBondContact O-N 2.85Å; L1312-M1315 PolarHBondContact O-N 2.96Å; L1312-H1316 PolarHBondContact O-N 2.82Å; L1312-E1397 HydrophobicContact CD1-CB 4.13Å; L1312-E1397 HydrophobicContact CD1-CG 3.73Å; L1312-E1397 VanDerWaalsContact CD1-OE1 3.31Å; L1312-E1397 WeakPolarHBondContact CD1-OE1 3.47Å; L1312-E1397 WeakPolarHBondContact CD1-OE2 3.36Å; L1312-E1398 HydrophobicContact CD2-CB 3.62Å; L1312-E1398 HydrophobicContact CD2-CG 3.91Å
1313R87.2Confident83.2Confident37 Ų3780.3 Ų80.314%0.1439%0.392CS..Hα-helixtrans-64.8-37.6175.4-74.9-171.4176.7160.614.7112.3L1309 I1310 H1316 K1317 E1398 S1455 I1456 D1458L1309-R1313 PolarHBondContact O-N 2.83Å; I1310-R1313 PolarHBondContact O-N 2.94Å; R1313-H1316 PolarHBondContact O-N 3.36Å; R1313-K1317 WeakPolarHBondContact O-CB 3.27Å; R1313-K1317 PolarHBondContact O-N 2.8Å; R1313-E1398 IonicContact CZ-OE1 3.37Å; R1313-E1398 IonicContact NE-OE1 2.92Å; R1313-E1398 PolarHBondContact NE-OE1 3.35Å; R1313-E1398 IonicContact NH2-OE1 3.03Å; R1313-S1455 PolarHBondContact NH1-O 2.84Å; R1313-I1456 PolarHBondContact NH1-O 2.84Å; R1313-I1456 PolarHBondContact NH2-O 2.85Å; R1313-D1458 IonicContact CZ-OD2 3.84Å; R1313-D1458 VanDerWaalsContact CZ-OD2 3.28Å; R1313-D1458 IonicContact NE-OD2 2.74Å; R1313-D1458 VanDerWaalsContact NH1-CG 3.33Å; R1313-D1458 IonicContact NH1-OD2 3.87Å; R1313-D1458 PolarHBondContact NH1-OD2 2.81Å
1314Q84.8Confident81.2Confident122 Ų12286.3 Ų86.357%0.5741%0.411SS*.Hα-helixtrans-63.3-43.8172.5-73.4178.4-10.500111.8I1310 T1311 L1312 K1317 Q1318I1310-Q1314 PolarHBondContact O-N 2.84Å; I1310-Q1314 VanDerWaalsContact O-N 3.1Å; T1311-Q1314 PolarHBondContact O-N 2.84Å; L1312-Q1314 VanDerWaalsContact C-N 3.34Å; L1312-Q1314 PolarHBondContact O-N 2.85Å; Q1314-K1317 PolarHBondContact O-N 3.18Å; Q1314-Q1318 PolarHBondContact O-N 3.27Å
1315M84.9Confident79.2Confident99 Ų9985.7 Ų85.749%0.48841%0.409SS..Hα-helixtrans-60.6-45.4175.3-78.1-170.576.200112.7T1311 L1312 K1317 Q1318 Q1319T1311-M1315 PolarHBondContact O-N 3.12Å; L1312-M1315 PolarHBondContact O-N 2.96Å; M1315-K1317 VanDerWaalsContact C-N 3.3Å; M1315-K1317 PolarHBondContact O-N 2.85Å; M1315-Q1318 PolarHBondContact O-N 2.93Å; M1315-Q1319 PolarHBondContact O-N 2.97Å
1316H81.2Confident77.4Confident78 Ų7889.6 Ų89.636%0.36143%0.433SS..Hα-helixtrans-61.9-38.3176.8-78.3171000112.4L1312 R1313 Q1319 A1320 E1398L1312-H1316 PolarHBondContact O-N 2.82Å; R1313-H1316 PolarHBondContact O-N 3.36Å; H1316-Q1319 PolarHBondContact O-N 2.96Å; H1316-A1320 WeakPolarHBondContact O-CB 3.4Å; H1316-A1320 PolarHBondContact O-N 2.93Å; H1316-E1398 IonicContact ND1-OE2 3.37Å
1317K77Confident75.4Confident140 Ų14095.8 Ų95.861%0.60946%0.463SS*.Hα-helixtrans-64.3-45.1176.6-165.4176.6179.5-1770111.3R1313 Q1314 M1315 A1320 E1321R1313-K1317 WeakPolarHBondContact O-CB 3.27Å; R1313-K1317 PolarHBondContact O-N 2.8Å; Q1314-K1317 PolarHBondContact O-N 3.18Å; M1315-K1317 VanDerWaalsContact C-N 3.3Å; M1315-K1317 PolarHBondContact O-N 2.85Å; K1317-A1320 PolarHBondContact O-N 2.87Å; K1317-E1321 WeakPolarHBondContact O-CG 3.44Å; K1317-E1321 PolarHBondContact O-N 3.28Å
1318Q76Confident73Confident129 Ų12998.1 Ų98.160%0.60347%0.473SS*.Hα-helixtrans-63.7-43.1175.6-76.4-179.3-8.400112.8Q1314 M1315 A1320 E1321 T1322Q1314-Q1318 PolarHBondContact O-N 3.27Å; M1315-Q1318 PolarHBondContact O-N 2.93Å; Q1318-A1320 PolarHBondContact O-N 2.92Å; Q1318-E1321 PolarHBondContact O-N 3.06Å; Q1318-T1322 WeakPolarHBondContact O-CB 3.22Å; Q1318-T1322 PolarHBondContact O-N 3.17Å; Q1318-T1322 PolarHBondContact O-OG1 3.29Å
1319Q74.1Confident70.7Confident120 Ų120101.3 Ų101.356%0.56149%0.491SS*.Hα-helixtrans-61.9-41.8176.5-90.4-176.8-18.700112.4M1315 H1316 T1322 Q1323M1315-Q1319 PolarHBondContact O-N 2.97Å; H1316-Q1319 PolarHBondContact O-N 2.96Å; Q1319-T1322 PolarHBondContact O-N 3.26Å; Q1319-Q1323 PolarHBondContact O-N 3.41Å
1320A68Low67.9Low53 Ų53104 Ų10444%0.43852%0.519SS..Hα-helixtrans-65.6-40.2176.800000112.1H1316 K1317 Q1318 R1324H1316-A1320 WeakPolarHBondContact O-CB 3.4Å; H1316-A1320 PolarHBondContact O-N 2.93Å; K1317-A1320 PolarHBondContact O-N 2.87Å; Q1318-A1320 PolarHBondContact O-N 2.92Å; A1320-R1324 PolarHBondContact O-N 2.99Å
1321E65.9Low65Low112 Ų112109.4 Ų109.452%0.52355%0.548SS..Hα-helixtrans-63.3-42172.9-77.8170.7-176.200111.4K1317 Q1318 R1324 F1325K1317-E1321 WeakPolarHBondContact O-CG 3.44Å; K1317-E1321 PolarHBondContact O-N 3.28Å; Q1318-E1321 PolarHBondContact O-N 3.06Å; E1321-R1324 PolarHBondContact O-N 3.41Å; E1321-F1325 WeakPolarHBondContact O-CB 3.37Å; E1321-F1325 PolarHBondContact O-N 2.98Å
1322T65.9Low62.1Low85 Ų85117.4 Ų117.452%0.52157%0.571SS.*Hα-helixtrans-65.7-43.2178.7-44.30000111.6Q1318 Q1319 F1325 V1326Q1318-T1322 WeakPolarHBondContact O-CB 3.22Å; Q1318-T1322 PolarHBondContact O-N 3.17Å; Q1318-T1322 PolarHBondContact O-OG1 3.29Å; Q1319-T1322 PolarHBondContact O-N 3.26Å; T1322-F1325 PolarHBondContact O-N 3.36Å; T1322-V1326 WeakPolarHBondContact O-CG2 3.39Å; T1322-V1326 PolarHBondContact O-N 3.32Å
1323Q58.9Low59.1Low144 Ų144125.3 Ų125.367%0.67361%0.607SS**Hα-helixtrans-63.8-39.1174.9-81.4-176.5-15.200112.5Q1319 F1325 V1326 Q1327Q1319-Q1323 PolarHBondContact O-N 3.41Å; Q1323-F1325 VanDerWaalsContact C-N 3.33Å; Q1323-V1326 PolarHBondContact O-N 3.36Å; Q1323-Q1327 PolarHBondContact O-N 3.45Å
1324R52.9Low56.4Low172 Ų172133.1 Ų133.165%0.64964%0.638SS**Hα-helixtrans-63.2-39.9172.3-86-175.1170.4-173.3-2.8111.9A1320 E1321 Q1327 M1328A1320-R1324 PolarHBondContact O-N 2.99Å; E1321-R1324 PolarHBondContact O-N 3.41Å; R1324-Q1327 PolarHBondContact O-N 3.11Å; R1324-M1328 PolarHBondContact O-N 2.85Å; R1324-M1328 VanDerWaalsContact O-N 3.1Å
1325F50.8Low53.8Low139 Ų139137.9 Ų137.961%0.6166%0.658SS**Hα-helixtrans-66-41179-147.6-86.2000111.9E1321 T1322 Q1323 M1328 H1329E1321-F1325 WeakPolarHBondContact O-CB 3.37Å; E1321-F1325 PolarHBondContact O-N 2.98Å; T1322-F1325 PolarHBondContact O-N 3.36Å; Q1323-F1325 VanDerWaalsContact C-N 3.33Å; F1325-M1328 PolarHBondContact O-N 2.83Å; F1325-H1329 AromaticContact CE1-CD2 3.84Å; F1325-H1329 PolarHBondContact O-N 2.89Å
1326V55.9Low51Low102 Ų102139.8 Ų139.862%0.61867%0.67SS**Hα-helixtrans-67-37.1175.5174.60000111.9T1322 Q1323 M1328 G1330T1322-V1326 WeakPolarHBondContact O-CG2 3.39Å; T1322-V1326 PolarHBondContact O-N 3.32Å; Q1323-V1326 PolarHBondContact O-N 3.36Å; V1326-M1328 VanDerWaalsContact C-N 3.34Å; V1326-M1328 PolarHBondContact O-N 3.07Å; V1326-G1330 PolarHBondContact O-N 2.76Å
1327Q51.8Low48.5Very low174 Ų174143.1 Ų143.181%0.81369%0.69SS**Hα-helixtrans-69.4-25.6174.5-89.2-178.4-8.900114.3Q1323 R1324Q1323-Q1327 PolarHBondContact O-N 3.45Å; R1324-Q1327 PolarHBondContact O-N 3.11Å
1328M43.5Very low46.1Very low150 Ų150142.8 Ų142.874%0.73970%0.695SS**Hα-helixtrans-86.6-22.6179.3-77.5-158.4-158.400114.3R1324 F1325 V1326R1324-M1328 PolarHBondContact O-N 2.85Å; R1324-M1328 VanDerWaalsContact O-N 3.1Å; F1325-M1328 PolarHBondContact O-N 2.83Å; V1326-M1328 VanDerWaalsContact C-N 3.34Å; V1326-M1328 PolarHBondContact O-N 3.07Å
1329H44.6Very low43.9Very low145 Ų145146.5 Ų146.567%0.67171%0.71SS**Hα-helixtrans-128.88.4-167.8-75.5-65.2000116.4F1325F1325-H1329 AromaticContact CE1-CD2 3.84Å; F1325-H1329 PolarHBondContact O-N 2.89Å
1330G32.8Very low41.8Very low57 Ų57144.2 Ų144.259%0.58871%0.707SS**  trans-108.5115.8179.700000114V1326V1326-G1330 PolarHBondContact O-N 2.76Å
1331D30Very low40Very low167 Ų167150.4 Ų150.489%0.89373%0.727SS**  trans-55.8144.8172.3-79.5-44.9000112.9E1333D1331-E1333 PolarHBondContact O-N 2.89Å; D1331-E1333 VanDerWaalsContact O-N 3.12Å
1332R28.2Very low38.2Very low233 Ų233149.1 Ų149.188%0.87973%0.73SS**SBendtrans-67.2102.2179.2-69.3178179.21694.6110.4
1333E27.5Very low36.3Very low173 Ų173152.5 Ų152.581%0.80875%0.745SS**  trans-167131154.4-109.1160.3-147.400111.4D1331D1331-E1333 PolarHBondContact O-N 2.89Å; D1331-E1333 VanDerWaalsContact O-N 3.12Å
1334Y29.8Very low35Very low201 Ų201152.5 Ų152.579%0.78875%0.754SS**  trans57.792174-66.9-88.3000119.1
1335F30.7Very low33.7Very low223 Ų223151.4 Ų151.498%0.97876%0.762SS**  trans-128.1104.3135.2-99.5-82.6000109.2
1336D26.3Very low32.5Very low139 Ų139149.5 Ų149.574%0.74377%0.765SS**  trans-68.5153.7171.8-153.5-0.5000110.3N1338D1336-N1338 PolarHBondContact O-N 3.46Å
1337D27.7Very low31.1Very low148 Ų148151.5 Ų151.579%0.79177%0.773SS**SBendtrans-52.3103.8174.3-80.1-44.4000111.1
1338N26.9Very low30.1Very low133 Ų133149.3 Ų149.371%0.71177%0.772SS**  trans-172.983.8151.2-95.3-34.9000112.3D1336 S1340D1336-N1338 PolarHBondContact O-N 3.46Å; N1338-S1340 PolarHBondContact OD1-OG 3.12Å
1339F29.9Very low29.4Very low207 Ų207148 Ų14891%0.90878%0.777SS**  trans-107.264.1136.1-120.2-86.7000107.5
1340S29.3Very low28.7Very low71 Ų71146.4 Ų146.450%0.49778%0.782SS.*  trans-96.295.8155.464.70000107.5N1338 S1342N1338-S1340 PolarHBondContact OD1-OG 3.12Å; S1340-S1342 VanDerWaalsContact C-N 3.26Å; S1340-S1342 PolarHBondContact O-N 2.84Å
1341E30Very low28.4Very low183 Ų183151.8 Ų151.886%0.85579%0.794SS**  trans-89.578.3153.4-86-168.8163.800107.2
1342S28Very low28.7Very low86 Ų86149.3 Ų149.360%0.60179%0.79SS**  trans-108.498.7157.3550000107.9S1340S1340-S1342 VanDerWaalsContact C-N 3.26Å; S1340-S1342 PolarHBondContact O-N 2.84Å
1343D26.8Very low28.6Very low156 Ų156141 Ų14183%0.83478%0.777SS**  trans-155.170.9153.8-114.6-3.3000110.2
1344V32Very low28.6Very low143 Ų143140.3 Ų140.387%0.86778%0.779SS**  trans-151.785.7137.4-172.70000107.7
1345N25.7Very low28.3Very low150 Ų150136.1 Ų136.180%0.80278%0.778SS**  trans-84.6130.2163.6-86.2-15000110.7
1346S25Very low28.1Very low98 Ų98132.4 Ų132.469%0.68577%0.767SS**  trans157.3110.614355.70000106.7
1347D26.7Very low28Very low144 Ų144132 Ų13277%0.7777%0.77SS**SBendcis-152.1138.537.5-77.5-38.4000112.8
1348T30.1Very low27.9Very low129 Ų129129.9 Ų129.979%0.79177%0.767SS**  trans48.3104.1151750000117.6
1349S30Very low27.9Very low123 Ų123128.1 Ų128.186%0.8677%0.765SS**  -178.1132.478.5340000110.7
1350S28.6Very low27.7Very low110 Ų110126.8 Ų126.877%0.76976%0.764SS**  trans-80.9135.4-174.4-1.60000112.3
1351M27.6Very low27.6Very low171 Ų171128.2 Ų128.284%0.84277%0.774SS**  76.4132.697.4-59.8-106.868.900112.8
1352S35.1Very low27.3Very low115 Ų115128.6 Ų128.680%0.80478%0.776SS**  cis-157.2141.549.337.20000110.7
1353G27Very low27.1Very low59 Ų59133.7 Ų133.761%0.60879%0.792SS**  90.1121.580.100000109.1
1354D26.4Very low27.1Very low158 Ų158131 Ų13185%0.84579%0.786SS**  cis-159.615736.5-80.6-37000114.9
1355S25.3Very low26.8Very low112 Ų112131.9 Ų131.978%0.78378%0.784SS**  trans64.2102.7146.957.30000121.4
1356I25.5Very low26.9Very low145 Ų145136.1 Ų136.174%0.74479%0.789SS**  trans-113.997157.7-58.7166.9000108.3S1359I1356-S1359 VanDerWaalsContact CG2-OG 3.29Å; I1356-S1359 WeakPolarHBondContact CG2-OG 3.3Å
1357T25.2Very low27Very low130 Ų130138.4 Ų138.480%0.79880%0.799SS**  trans-92.2134.2143.550.50000107.1
1358S24.7Very low26.9Very low104 Ų104137 Ų13773%0.72780%0.801SS**  trans87.2112.4-179.681.60000116.6
1359S27.7Very low27Very low96 Ų96134.2 Ų134.267%0.67180%0.797SS**  trans-150.664.4167.6-56.60000110.2I1356I1356-S1359 VanDerWaalsContact CG2-OG 3.29Å; I1356-S1359 WeakPolarHBondContact CG2-OG 3.3Å
1360M25.6Very low26.9Very low179 Ų179134.1 Ų134.188%0.88280%0.797SS**SBendtrans-129.374.5146.9-81.9-15475.900107.2
1361S25.5Very low27.2Very low101 Ų101138.3 Ų138.371%0.70680%0.801SS**SBendtrans169.9146.1160.742.40000106.6
1362Q24Very low27.5Very low192 Ų192140 Ų14090%0.89780%0.804SS**  trans8365.7-172-48.9-165.5-11.800116
1363M24.9Very low27.4Very low192 Ų192140.3 Ų140.395%0.94681%0.806SS**  trans-12666.8145.8-162.2174.373.200110.2
1364S26.5Very low27.9Very low100 Ų100141.3 Ų141.370%0.69982%0.816SS**SBendtrans-161.2147.2151.253.70000106.7
1365L25.6Very low28.7Very low161 Ų161143.1 Ų143.184%0.84381%0.811SS**  trans84.476.5-177.5-51.1152.4000115.3
1366R28.5Very low29.8Very low240 Ų240141.5 Ų141.591%0.90680%0.8SS**  -178.791.1128.1-95.1161.7-168.8-151.73.9110.7S1368R1366-S1368 VanDerWaalsContact C-N 3.28Å; R1366-S1368 PolarHBondContact O-N 2.8Å
1367T26.5Very low31.2Very low145 Ų145141.3 Ų141.389%0.8980%0.797SS**  trans-64.784.315637.20000109
1368S25.2Very low32.9Very low115 Ų115143.4 Ų143.480%0.80480%0.795SS**  trans-158.7111.7170.5-78.60000110.6R1366R1366-S1368 VanDerWaalsContact C-N 3.28Å; R1366-S1368 PolarHBondContact O-N 2.8Å
1369G31Very low34.4Very low70 Ų70140.9 Ų140.972%0.72278%0.781SS**  trans133.965.2165.500000115.6K1371G1369-K1371 PolarHBondContact O-N 3.06Å
1370S28.4Very low36Very low122 Ų122142.8 Ų142.885%0.85378%0.777SS**  trans-69.561165.566.70000112.2
1371K34.1Very low37.8Very low198 Ų198143.1 Ų143.186%0.86177%0.768SS**  trans-126.322.1178.5-72.1-166.4178.3-178.30115G1369G1369-K1371 PolarHBondContact O-N 3.06Å
1372K34.4Very low39.9Very low207 Ų207145.7 Ų145.790%0.977%0.767SS**  trans-117.629.5175.7-80.6-173.8178.2173.60115.1G1374K1372-G1374 VanDerWaalsContact C-N 3.34Å
1373S33.6Very low41.9Very low120 Ų120142.3 Ų142.384%0.83975%0.751SS**  trans-852.4173.456.90000114.9R1375S1373-R1375 PolarHBondContact O-N 2.85Å
1374G38.1Very low43.9Very low80 Ų80137.4 Ų137.483%0.82573%0.726SS**  trans-82.10.3-17600000117.2K1372 S1376K1372-G1374 VanDerWaalsContact C-N 3.34Å; G1374-S1376 PolarHBondContact O-N 2.85Å
1375R41.6Very low46.1Very low197 Ų197135.5 Ų135.574%0.74372%0.717SS**SBendtrans-86.3108.5177.5-81.9-176.1174.4166.1-0.2110S1373 M1377S1373-R1375 PolarHBondContact O-N 2.85Å; R1375-M1377 PolarHBondContact O-N 2.9Å
1376S50Low48.3Very low77 Ų77135 Ų13554%0.53871%0.707SS.*  trans-37.6131.6170.7169.70000111.7G1374 K1378 A1379 K1380G1374-S1376 PolarHBondContact O-N 2.85Å; S1376-K1378 PolarHBondContact O-N 2.83Å; S1376-K1378 WeakPolarHBondContact OG-CB 3.36Å; S1376-K1378 PolarHBondContact OG-N 3.29Å; S1376-A1379 PolarHBondContact O-N 2.83Å; S1376-K1380 PolarHBondContact O-N 2.78Å
1377M55.1Low50.4Low141 Ų141129 Ų12970%0.69569%0.685SS**Hα-helixtrans-45.4-29.6173.8-97.9-174.4-82.400112.9R1375 R1381R1375-M1377 PolarHBondContact O-N 2.9Å; M1377-R1381 WeakPolarHBondContact O-CB 2.98Å; M1377-R1381 PolarHBondContact O-N 2.83Å
1378K60.1Low52.7Low174 Ų174124.9 Ų124.976%0.75765%0.653SS**Hα-helixtrans-63.3-41.8176.7-125.5175.9-176.4178.20112.7S1376 K1382S1376-K1378 PolarHBondContact O-N 2.83Å; S1376-K1378 WeakPolarHBondContact OG-CB 3.36Å; S1376-K1378 PolarHBondContact OG-N 3.29Å; K1378-K1382 WeakPolarHBondContact O-CB 3.25Å; K1378-K1382 PolarHBondContact O-N 3.3Å
1379A56.7Low55.3Low51 Ų51121.2 Ų121.242%0.42163%0.628SS.*Hα-helixtrans-71.5-39.8179.100000111.6S1376 K1382 Q1383S1376-A1379 PolarHBondContact O-N 2.83Å; A1379-K1382 PolarHBondContact O-N 2.8Å; A1379-Q1383 WeakPolarHBondContact O-CB 3.44Å; A1379-Q1383 PolarHBondContact O-N 2.9Å
1380K59.9Low57.8Low136 Ų136119.5 Ų119.559%0.59160%0.604SS**Hα-helixtrans-63.7-46.8176.8-150.5-178.3-178.1-171.10111.3S1376 K1382 Q1383 E1384S1376-K1380 PolarHBondContact O-N 2.78Å; K1380-K1382 VanDerWaalsContact C-N 3.35Å; K1380-K1382 PolarHBondContact O-N 3.23Å; K1380-Q1383 PolarHBondContact O-N 2.94Å; K1380-Q1383 VanDerWaalsContact O-N 3.17Å; K1380-E1384 PolarHBondContact O-N 3.49Å
1381R65Low60.3Low186 Ų186121 Ų12170%0.70260%0.595SS**Hα-helixtrans-58.5-41.7172.4-84-175.4175.3174.70.3112.8M1377 Q1383 E1384 A1385M1377-R1381 WeakPolarHBondContact O-CB 2.98Å; M1377-R1381 PolarHBondContact O-N 2.83Å; R1381-Q1383 VanDerWaalsContact C-N 3.3Å; R1381-Q1383 PolarHBondContact O-N 2.48Å; R1381-E1384 PolarHBondContact O-N 2.83Å; R1381-A1385 VanDerWaalsContact O-CB 3.28Å; R1381-A1385 WeakPolarHBondContact O-CB 3.3Å; R1381-A1385 PolarHBondContact O-N 3.21Å
1382K68.6Low62.6Low156 Ų156116.1 Ų116.168%0.67858%0.584SS**Hα-helixtrans-67.2-32.7178.9-148.6177.8-171.8-176.50111.9K1378 A1379 K1380 K1386K1378-K1382 WeakPolarHBondContact O-CB 3.25Å; K1378-K1382 PolarHBondContact O-N 3.3Å; A1379-K1382 PolarHBondContact O-N 2.8Å; K1380-K1382 VanDerWaalsContact C-N 3.35Å; K1380-K1382 PolarHBondContact O-N 3.23Å; K1382-K1386 PolarHBondContact O-N 2.92Å
1383Q65.8Low64.5Low121 Ų121109.8 Ų109.857%0.56558%0.578SS**Hα-helixtrans-75.9-38.7176.9-140.8174.713.100111.9A1379 K1380 R1381 K1386A1379-Q1383 WeakPolarHBondContact O-CB 3.44Å; A1379-Q1383 PolarHBondContact O-N 2.9Å; K1380-Q1383 PolarHBondContact O-N 2.94Å; K1380-Q1383 VanDerWaalsContact O-N 3.17Å; R1381-Q1383 VanDerWaalsContact C-N 3.3Å; R1381-Q1383 PolarHBondContact O-N 2.48Å; Q1383-K1386 PolarHBondContact O-N 2.88Å
1384E66.9Low66.7Low88 Ų88105.7 Ų105.741%0.41155%0.549SS..Hα-helixtrans-64.5-44.2170.5-81.8170.3176.300111.6K1380 R1381 K1386 R1387 W1388K1380-E1384 PolarHBondContact O-N 3.49Å; R1381-E1384 PolarHBondContact O-N 2.83Å; E1384-K1386 PolarHBondContact O-N 2.81Å; E1384-R1387 VanDerWaalsContact O-CB 3.29Å; E1384-R1387 WeakPolarHBondContact O-CB 3.39Å; E1384-R1387 PolarHBondContact O-N 2.88Å; E1384-W1388 VanDerWaalsContact O-CD1 3.24Å; E1384-W1388 PolarHBondContact O-NE1 2.78Å
1385A71.8Confident68.4Low61 Ų61110.4 Ų110.450%0.50455%0.547SS..Hα-helixtrans-59.6-33.617800000113.1R1381 R1387 W1388R1381-A1385 VanDerWaalsContact O-CB 3.28Å; R1381-A1385 WeakPolarHBondContact O-CB 3.3Å; R1381-A1385 PolarHBondContact O-N 3.21Å; A1385-R1387 VanDerWaalsContact C-N 3.25Å; A1385-R1387 PolarHBondContact O-N 2.91Å; A1385-W1388 PolarHBondContact O-N 3.39Å
1386K72.8Confident70.2Confident149 Ų149104.4 Ų104.465%0.64852%0.524SS*.Hα-helixtrans-66.6-23.4174.9-78.6-175.4176.9-169.90113.4K1382 Q1383 E1384 W1388K1382-K1386 PolarHBondContact O-N 2.92Å; Q1383-K1386 PolarHBondContact O-N 2.88Å; E1384-K1386 PolarHBondContact O-N 2.81Å; K1386-W1388 PolarHBondContact O-N 2.81Å
1387R73.2Confident72.1Confident115 Ų115101.2 Ų101.243%0.43450%0.501SS..Hα-helixtrans-70.6-20.7177.2-66.9-179.9171.6175.9-4.3112.9E1384 A1385 Y1396E1384-R1387 VanDerWaalsContact O-CB 3.29Å; E1384-R1387 WeakPolarHBondContact O-CB 3.39Å; E1384-R1387 PolarHBondContact O-N 2.88Å; A1385-R1387 VanDerWaalsContact C-N 3.25Å; A1385-R1387 PolarHBondContact O-N 2.91Å; R1387-Y1396 VanDerWaalsContact O-CB 3.27Å; R1387-Y1396 WeakPolarHBondContact O-CB 3.3Å
1388W74.2Confident73.7Confident58 Ų5894.6 Ų94.622%0.2247%0.469CS..THydrogen-bonded Turntrans-108.915.8-176.4-44.5120.3000112.8E1384 A1385 K1386 S1390 V1399 G1400 I1481 E1483 F1485E1384-W1388 VanDerWaalsContact O-CD1 3.24Å; E1384-W1388 PolarHBondContact O-NE1 2.78Å; A1385-W1388 PolarHBondContact O-N 3.39Å; K1386-W1388 PolarHBondContact O-N 2.81Å; W1388-S1390 PolarHBondContact O-N 2.87Å; W1388-V1399 HydrophobicContact CE3-CG1 3.83Å; W1388-V1399 HydrophobicContact CZ3-CG1 3.59Å; W1388-G1400 WeakPolarHBondContact O-CA 3.37Å; W1388-I1481 HydrophobicContact CH2-CG2 3.99Å; W1388-E1483 HydrophobicContact CH2-CG 3.81Å; W1388-F1485 HydrophobicContact CE3-CE1 4.38Å; W1388-F1485 AromaticContact CE3-CZ 3.9Å; W1388-F1485 HydrophobicContact CE3-CZ 3.9Å; W1388-F1485 HydrophobicContact CH2-CE1 4.2Å; W1388-F1485 HydrophobicContact CH2-CZ 4.34Å; W1388-F1485 AromaticContact CZ3-CE1 3.81Å; W1388-F1485 HydrophobicContact CZ3-CE1 3.81Å; W1388-F1485 AromaticContact CZ3-CZ 3.51Å; W1388-F1485 HydrophobicContact CZ3-CZ 3.51Å
1389S80.3Confident74.9Confident39 Ų3986.3 Ų86.327%0.27343%0.433SS..  trans-77.1116.9-174.6-173.90000111.6K1391 S1394 E1397S1389-K1391 PolarHBondContact O-N 3.44Å; S1389-K1391 WeakPolarHBondContact OG-CB 3.33Å; S1389-K1391 PolarHBondContact OG-N 2.77Å; S1389-S1394 PolarHBondContact O-OG 2.9Å; S1389-E1397 WeakPolarHBondContact O-CA 3.47Å
1390S82.3Confident76.4Confident33 Ų3383.9 Ų83.923%0.23141%0.413CS..  trans-78.79.5171.853.60000113.9W1388 E1404W1388-S1390 PolarHBondContact O-N 2.87Å; S1390-E1404 VanDerWaalsContact CB-OE1 3.3Å; S1390-E1404 WeakPolarHBondContact CB-OE1 3.02Å; S1390-E1404 VanDerWaalsContact OG-CD 3.31Å; S1390-E1404 PolarHBondContact OG-OE1 3.14Å; S1390-E1404 PolarHBondContact OG-OE2 2.82Å
1391K81.6Confident77.9Confident153 Ų15377.6 Ų77.667%0.66539%0.385SS*.  trans-69.7130.4-174.3-148.4178.5-171.6-173.20110S1389 G1393 S1394S1389-K1391 PolarHBondContact O-N 3.44Å; S1389-K1391 WeakPolarHBondContact OG-CB 3.33Å; S1389-K1391 PolarHBondContact OG-N 2.77Å; K1391-G1393 PolarHBondContact O-N 2.82Å; K1391-S1394 WeakPolarHBondContact O-CB 3.15Å; K1391-S1394 PolarHBondContact O-N 2.83Å
1392P81.9Confident79.1Confident97 Ų9768.8 Ų68.863%0.6335%0.352SS*.THydrogen-bonded Turntrans-50.2123.3177.1-29.536000112.7E1397P1392-E1397 WeakPolarHBondContact CA-OE1 3.45Å; P1392-E1397 WeakPolarHBondContact CA-OE2 3.45Å
1393G75.7Confident80Confident74 Ų7463.9 Ų63.976%0.76333%0.331SS*.THydrogen-bonded Turntrans88.40.6-178.900000115.6K1391 E1397K1391-G1393 PolarHBondContact O-N 2.82Å; G1393-E1397 PolarHBondContact N-OE2 3.02Å
1394S79.3Confident81.2Confident33 Ų3361.1 Ų61.123%0.23132%0.318CS..  trans-66.1141173.8164.40000111.5S1389 K1391 Y1396 E1397S1389-S1394 PolarHBondContact O-OG 2.9Å; K1391-S1394 WeakPolarHBondContact O-CB 3.15Å; K1391-S1394 PolarHBondContact O-N 2.83Å; S1394-Y1396 PolarHBondContact O-N 2.74Å; S1394-Y1396 PolarHBondContact OG-N 2.79Å; S1394-E1397 WeakPolarHBondContact O-CB 3.28Å; S1394-E1397 PolarHBondContact O-N 3.4Å
1395K73.3Confident82.4Confident180 Ų18056.9 Ų56.978%0.78330%0.299SS*.THydrogen-bonded Turntrans-52.4-28.9172.8-178.1175-178.6173.90113.3
1396Y80.6Confident83.3Confident70 Ų7054.4 Ų54.428%0.27528%0.278SS..THydrogen-bonded Turntrans-113.421.8-178.5-57.2-72.2000112.7R1387 S1394 E1398 V1399 G1400 I1481R1387-Y1396 VanDerWaalsContact O-CB 3.27Å; R1387-Y1396 WeakPolarHBondContact O-CB 3.3Å; S1394-Y1396 PolarHBondContact O-N 2.74Å; S1394-Y1396 PolarHBondContact OG-N 2.79Å; Y1396-E1398 VanDerWaalsContact C-N 3.35Å; Y1396-E1398 PolarHBondContact O-N 2.64Å; Y1396-V1399 PolarHBondContact O-N 2.82Å; Y1396-V1399 VanDerWaalsContact O-N 3.14Å; Y1396-G1400 PolarHBondContact O-N 2.72Å; Y1396-I1481 HydrophobicContact CD1-CD1 4.43Å; Y1396-I1481 HydrophobicContact CE1-CD1 4.36Å
1397E89Confident84.2Confident10 Ų1052 Ų525%0.04727%0.269CS..Hα-helixtrans-53.3-48.3-177-173179.8171.900112.4R1308 L1312 S1389 P1392 G1393 S1394 V1399 G1400 L1401R1308-E1397 IonicContact CZ-OE1 3.95Å; R1308-E1397 IonicContact NE-OE1 3.39Å; R1308-E1397 PolarHBondContact NE-OE1 2.9Å; R1308-E1397 IonicContact NH2-OE1 3.59Å; R1308-E1397 PolarHBondContact NH2-OE1 3.5Å; R1308-E1397 IonicContact NH2-OE2 3.41Å; R1308-E1397 PolarHBondContact NH2-OE2 3.28Å; L1312-E1397 HydrophobicContact CD1-CB 4.13Å; L1312-E1397 HydrophobicContact CD1-CG 3.73Å; L1312-E1397 VanDerWaalsContact CD1-OE1 3.31Å; L1312-E1397 WeakPolarHBondContact CD1-OE1 3.47Å; L1312-E1397 WeakPolarHBondContact CD1-OE2 3.36Å; S1389-E1397 WeakPolarHBondContact O-CA 3.47Å; P1392-E1397 WeakPolarHBondContact CA-OE1 3.45Å; P1392-E1397 WeakPolarHBondContact CA-OE2 3.45Å; G1393-E1397 PolarHBondContact N-OE2 3.02Å; S1394-E1397 WeakPolarHBondContact O-CB 3.28Å; S1394-E1397 PolarHBondContact O-N 3.4Å; E1397-V1399 VanDerWaalsContact C-N 3.33Å; E1397-V1399 PolarHBondContact O-N 2.81Å; E1397-G1400 PolarHBondContact O-N 2.76Å; E1397-L1401 HydrophobicContact CG-CD1 4.08Å; E1397-L1401 HydrophobicContact CG-CG 4.45Å; E1397-L1401 WeakPolarHBondContact O-CG 3.17Å; E1397-L1401 PolarHBondContact O-N 2.78Å
1398E88.3Confident85.1Confident3 Ų347 Ų471%0.01425%0.251CS..Hα-helixtrans-61.7-40.9-179.6-160.9179.3170.300112.1L1309 L1312 R1313 H1316 Y1396 L1401 L1402 K1478 Y1479L1309-E1398 HydrophobicContact CD1-CG 3.73Å; L1312-E1398 HydrophobicContact CD2-CB 3.62Å; L1312-E1398 HydrophobicContact CD2-CG 3.91Å; R1313-E1398 IonicContact CZ-OE1 3.37Å; R1313-E1398 IonicContact NE-OE1 2.92Å; R1313-E1398 PolarHBondContact NE-OE1 3.35Å; R1313-E1398 IonicContact NH2-OE1 3.03Å; H1316-E1398 IonicContact ND1-OE2 3.37Å; Y1396-E1398 VanDerWaalsContact C-N 3.35Å; Y1396-E1398 PolarHBondContact O-N 2.64Å; E1398-L1401 PolarHBondContact O-N 2.9Å; E1398-L1402 HydrophobicContact CG-CD1 4.48Å; E1398-L1402 WeakPolarHBondContact O-CG 3.09Å; E1398-L1402 PolarHBondContact O-N 3.21Å; E1398-K1478 IonicContact OE1-NZ 2.83Å; E1398-K1478 PolarHBondContact OE1-NZ 3.2Å; E1398-K1478 IonicContact OE2-NZ 2.97Å; E1398-K1478 PolarHBondContact OE2-NZ 2.77Å; E1398-Y1479 WeakPolarHBondContact CB-OH 3.36Å; E1398-Y1479 PolarHBondContact OE2-OH 3.12Å
1399V86.5Confident86Confident0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-67.9-38.7178178.10000110.8W1388 Y1396 E1397 H1403 Y1479 F1485 L1486W1388-V1399 HydrophobicContact CE3-CG1 3.83Å; W1388-V1399 HydrophobicContact CZ3-CG1 3.59Å; Y1396-V1399 PolarHBondContact O-N 2.82Å; Y1396-V1399 VanDerWaalsContact O-N 3.14Å; E1397-V1399 VanDerWaalsContact C-N 3.33Å; E1397-V1399 PolarHBondContact O-N 2.81Å; V1399-H1403 PolarHBondContact O-N 2.84Å; V1399-Y1479 HydrophobicContact CG2-CD1 3.55Å; V1399-Y1479 HydrophobicContact CG2-CD2 3.87Å; V1399-Y1479 HydrophobicContact CG2-CE1 3.6Å; V1399-Y1479 HydrophobicContact CG2-CE2 3.92Å; V1399-Y1479 HydrophobicContact CG2-CG 3.7Å; V1399-F1485 HydrophobicContact CG1-CZ 4.42Å; V1399-L1486 HydrophobicContact CG1-CD1 4.24Å; V1399-L1486 HydrophobicContact CG1-CD2 4.29Å
1400G87.4Confident86.4Confident0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-63.3-44.8173.700000112.6W1388 Y1396 E1397 H1403 E1404W1388-G1400 WeakPolarHBondContact O-CA 3.37Å; Y1396-G1400 PolarHBondContact O-N 2.72Å; E1397-G1400 PolarHBondContact O-N 2.76Å; G1400-H1403 WeakPolarHBondContact O-CB 3.2Å; G1400-H1403 PolarHBondContact O-N 2.92Å; G1400-E1404 PolarHBondContact O-N 2.92Å
1401L90.8Very high86.8Confident4 Ų450.1 Ų50.12%0.02126%0.262CS..Hα-helixtrans-62.7-42.9176.2-71.4168.5000112L1305 R1308 L1309 E1397 E1398 H1403 E1404 L1405L1305-L1401 HydrophobicContact CD2-CD2 3.72Å; R1308-L1401 HydrophobicContact CB-CD1 4.44Å; R1308-L1401 HydrophobicContact CB-CD2 4.33Å; R1308-L1401 HydrophobicContact CG-CD1 3.83Å; R1308-L1401 HydrophobicContact CG-CD2 4.1Å; L1309-L1401 HydrophobicContact CB-CD1 4.46Å; L1309-L1401 HydrophobicContact CD1-CB 4.22Å; L1309-L1401 HydrophobicContact CD1-CD1 4.44Å; E1397-L1401 HydrophobicContact CG-CD1 4.08Å; E1397-L1401 HydrophobicContact CG-CG 4.45Å; E1397-L1401 WeakPolarHBondContact O-CG 3.17Å; E1397-L1401 PolarHBondContact O-N 2.78Å; E1398-L1401 PolarHBondContact O-N 2.9Å; L1401-H1403 VanDerWaalsContact C-N 3.29Å; L1401-H1403 PolarHBondContact O-N 2.81Å; L1401-E1404 PolarHBondContact O-N 2.79Å; L1401-L1405 WeakPolarHBondContact O-CB 3.2Å; L1401-L1405 WeakPolarHBondContact O-CG 3.25Å; L1401-L1405 PolarHBondContact O-N 2.75Å
1402L90.2Very high87.3Confident1 Ų142.8 Ų42.81%0.00523%0.23CC..Hα-helixtrans-60.1-40.4174.9-78.2163000111.9L1309 E1398 T1406 I1456 T1461 F1485 L1486L1309-L1402 HydrophobicContact CD2-CD2 4.4Å; E1398-L1402 HydrophobicContact CG-CD1 4.48Å; E1398-L1402 WeakPolarHBondContact O-CG 3.09Å; E1398-L1402 PolarHBondContact O-N 3.21Å; L1402-T1406 PolarHBondContact O-N 3.2Å; L1402-T1406 PolarHBondContact O-OG1 3.36Å; L1402-I1456 HydrophobicContact CD2-CG2 3.42Å; L1402-I1456 VanDerWaalsContact CD2-CG2 3.42Å; L1402-T1461 HydrophobicContact CD1-CG2 4.23Å; L1402-F1485 HydrophobicContact CB-CE2 4.23Å; L1402-L1486 HydrophobicContact CB-CD2 4.39Å; L1402-L1486 HydrophobicContact CD1-CD2 3.71Å
1403H88.8Confident87.7Confident52 Ų5239.6 Ų39.624%0.24121%0.207CC..Hα-helixtrans-64.3-47.9176.4-172.459.9000111.8V1399 G1400 L1401 L1405 T1406 Q1407 F1485V1399-H1403 PolarHBondContact O-N 2.84Å; G1400-H1403 WeakPolarHBondContact O-CB 3.2Å; G1400-H1403 PolarHBondContact O-N 2.92Å; L1401-H1403 VanDerWaalsContact C-N 3.29Å; L1401-H1403 PolarHBondContact O-N 2.81Å; H1403-L1405 PolarHBondContact O-N 2.88Å; H1403-T1406 WeakPolarHBondContact O-CB 3.37Å; H1403-T1406 PolarHBondContact O-N 2.96Å; H1403-Q1407 PolarHBondContact CD2-NE2 3.05Å; H1403-Q1407 PolarHBondContact NE2-NE2 3.06Å; H1403-Q1407 WeakPolarHBondContact O-CG 3.31Å; H1403-Q1407 PolarHBondContact O-N 3.14Å; H1403-F1485 HydrophobicContact CB-CE2 3.74Å; H1403-F1485 HydrophobicContact CB-CZ 3.85Å; H1403-F1485 AromaticContact ND1-CE1 3.84Å; H1403-F1485 AromaticContact ND1-CZ 3.82Å
1404E90.8Very high88.4Confident63 Ų6338.5 Ų38.529%0.29419%0.188SC..Hα-helixtrans-65.7-36.9178.8-72.1-176.3-173.600112.8L1305 S1390 G1400 L1401 Q1407 S1408L1305-E1404 HydrophobicContact CD1-CB 3.79Å; L1305-E1404 HydrophobicContact CD2-CB 4.29Å; L1305-E1404 WeakPolarHBondContact CD2-OE2 3.2Å; S1390-E1404 VanDerWaalsContact CB-OE1 3.3Å; S1390-E1404 WeakPolarHBondContact CB-OE1 3.02Å; S1390-E1404 VanDerWaalsContact OG-CD 3.31Å; S1390-E1404 PolarHBondContact OG-OE1 3.14Å; S1390-E1404 PolarHBondContact OG-OE2 2.82Å; G1400-E1404 PolarHBondContact O-N 2.92Å; L1401-E1404 PolarHBondContact O-N 2.79Å; E1404-Q1407 PolarHBondContact O-N 3.22Å; E1404-S1408 PolarHBondContact O-N 3.18Å
1405L92.5Very high88.9Confident0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-64.5-39.7173.3-79.7164.7000112Y1302 L1305 F1306 L1309 L1401 H1403 S1408 I1409 I1456Y1302-L1405 HydrophobicContact CD2-CD2 3.88Å; Y1302-L1405 HydrophobicContact CE2-CD2 3.79Å; L1305-L1405 HydrophobicContact CB-CD2 3.75Å; L1305-L1405 HydrophobicContact CB-CG 3.96Å; F1306-L1405 HydrophobicContact CB-CD2 4.35Å; L1309-L1405 HydrophobicContact CB-CD1 4.32Å; L1309-L1405 HydrophobicContact CD2-CD1 3.72Å; L1401-L1405 WeakPolarHBondContact O-CB 3.2Å; L1401-L1405 WeakPolarHBondContact O-CG 3.25Å; L1401-L1405 PolarHBondContact O-N 2.75Å; H1403-L1405 PolarHBondContact O-N 2.88Å; L1405-S1408 WeakPolarHBondContact O-CB 3.36Å; L1405-S1408 PolarHBondContact O-N 3.27Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.45Å; L1405-I1409 PolarHBondContact O-N 3.01Å; L1405-I1456 HydrophobicContact CB-CD1 4.49Å; L1405-I1456 HydrophobicContact CD1-CD1 4.15Å; L1405-I1456 HydrophobicContact CD1-CG1 4.12Å; L1405-I1456 HydrophobicContact CD1-CG2 4.08Å; L1405-I1456 HydrophobicContact CD2-CD1 4.24Å
1406T90.9Very high89.7Confident9 Ų928.4 Ų28.46%0.05514%0.14CC..Hα-helixtrans-59.7-47.9174.4-530000110.5L1402 H1403 S1408 I1409 E1410 W1457 F1485 P1490L1402-T1406 PolarHBondContact O-N 3.2Å; L1402-T1406 PolarHBondContact O-OG1 3.36Å; H1403-T1406 WeakPolarHBondContact O-CB 3.37Å; H1403-T1406 PolarHBondContact O-N 2.96Å; T1406-S1408 VanDerWaalsContact C-N 3.32Å; T1406-S1408 PolarHBondContact O-N 3.39Å; T1406-I1409 PolarHBondContact O-N 2.76Å; T1406-E1410 WeakPolarHBondContact O-CG 3.38Å; T1406-E1410 PolarHBondContact O-N 3.26Å; T1406-W1457 WeakPolarHBondContact OG1-CZ2 3.09Å; T1406-F1485 HydrophobicContact CG2-CB 4.14Å; T1406-P1490 HydrophobicContact CG2-CB 4.21Å; T1406-P1490 HydrophobicContact CG2-CG 4.08Å
1407Q90.5Very high90.1Very high99 Ų9928.5 Ų28.546%0.46315%0.145SC..Hα-helixtrans-61.6-38.3176.7-68.4-176.77.500112.3H1403 E1404 E1410 L1411H1403-Q1407 PolarHBondContact CD2-NE2 3.05Å; H1403-Q1407 PolarHBondContact NE2-NE2 3.06Å; H1403-Q1407 WeakPolarHBondContact O-CG 3.31Å; H1403-Q1407 PolarHBondContact O-N 3.14Å; E1404-Q1407 PolarHBondContact O-N 3.22Å; Q1407-E1410 PolarHBondContact O-N 2.82Å; Q1407-L1411 VanDerWaalsContact O-CB 3.32Å; Q1407-L1411 WeakPolarHBondContact O-CB 3.46Å; Q1407-L1411 PolarHBondContact O-N 2.84Å
1408S92.6Very high90Very high10 Ų1030.8 Ų30.87%0.0716%0.156CC..Hα-helixtrans-63.1-40.8176.2-177.70000112.3E1404 L1405 T1406 L1411 G1412 Q1449E1404-S1408 PolarHBondContact O-N 3.18Å; L1405-S1408 WeakPolarHBondContact O-CB 3.36Å; L1405-S1408 PolarHBondContact O-N 3.27Å; T1406-S1408 VanDerWaalsContact C-N 3.32Å; T1406-S1408 PolarHBondContact O-N 3.39Å; S1408-L1411 PolarHBondContact O-N 3.41Å; S1408-G1412 PolarHBondContact O-N 2.92Å; S1408-Q1449 PolarHBondContact O-NE2 2.86Å
1409I91.8Very high90.1Very high2 Ų230.6 Ų30.61%0.0116%0.155CC..Hα-helixtrans-65.9-44.1176.5-65.4168.8000110.8Y1302 L1405 T1406 G1412 Q1413 Q1449 L1453 W1457 P1490 M1492Y1302-I1409 HydrophobicContact CE2-CG1 4.33Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.45Å; L1405-I1409 PolarHBondContact O-N 3.01Å; T1406-I1409 PolarHBondContact O-N 2.76Å; I1409-G1412 PolarHBondContact O-N 2.93Å; I1409-Q1413 WeakPolarHBondContact O-CG 3.23Å; I1409-Q1413 PolarHBondContact O-N 3.3Å; I1409-Q1413 VanDerWaalsContact O-N 3.09Å; I1409-Q1449 HydrophobicContact CG1-CB 4.21Å; I1409-Q1449 HydrophobicContact CG1-CG 4.05Å; I1409-L1453 HydrophobicContact CD1-CD2 4.34Å; I1409-W1457 HydrophobicContact CD1-CH2 3.94Å; I1409-W1457 HydrophobicContact CD1-CZ3 3.88Å; I1409-P1490 HydrophobicContact CB-CG 4.16Å; I1409-P1490 HydrophobicContact CD1-CG 3.92Å; I1409-P1490 HydrophobicContact CG2-CB 4.44Å; I1409-P1490 HydrophobicContact CG2-CG 3.97Å; I1409-M1492 HydrophobicContact CG2-CE 4.41Å; I1409-M1492 HydrophobicContact CG2-CG 3.8Å; I1409-M1492 HydrophobicContact CG2-SD 4.31Å
1410E90.3Very high90.1Very high117 Ų11733.9 Ų33.955%0.54717%0.171SC..Hα-helixtrans-62.8-41.4175.8-69.9179.4165.800112.1T1406 Q1407 G1412 Q1413 S1414T1406-E1410 WeakPolarHBondContact O-CG 3.38Å; T1406-E1410 PolarHBondContact O-N 3.26Å; Q1407-E1410 PolarHBondContact O-N 2.82Å; E1410-G1412 VanDerWaalsContact C-N 3.32Å; E1410-G1412 PolarHBondContact O-N 2.8Å; E1410-Q1413 WeakPolarHBondContact O-CB 3.21Å; E1410-Q1413 PolarHBondContact O-N 3.42Å; E1410-S1414 PolarHBondContact O-N 2.99Å
1411L90.7Very high90Very high75 Ų7538.8 Ų38.839%0.39320%0.197SC..Hα-helixtrans-61.9-40.1174.3-162.695.3000111.4Q1407 S1408 Q1413 S1414 L1415Q1407-L1411 VanDerWaalsContact O-CB 3.32Å; Q1407-L1411 WeakPolarHBondContact O-CB 3.46Å; Q1407-L1411 PolarHBondContact O-N 2.84Å; S1408-L1411 PolarHBondContact O-N 3.41Å; L1411-Q1413 VanDerWaalsContact C-N 3.33Å; L1411-Q1413 PolarHBondContact O-N 3.45Å; L1411-S1414 WeakPolarHBondContact O-CB 3.15Å; L1411-S1414 PolarHBondContact O-N 2.91Å; L1411-L1415 HydrophobicContact CD2-CD1 4.06Å; L1411-L1415 HydrophobicContact CG-CD1 4.35Å; L1411-L1415 WeakPolarHBondContact O-CG 3.39Å; L1411-L1415 PolarHBondContact O-N 3.24Å
1412G90.9Very high89.8Confident0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-60.2-41174.800000112.6S1408 I1409 E1410 A1416S1408-G1412 PolarHBondContact O-N 2.92Å; I1409-G1412 PolarHBondContact O-N 2.93Å; E1410-G1412 VanDerWaalsContact C-N 3.32Å; E1410-G1412 PolarHBondContact O-N 2.8Å; G1412-A1416 WeakPolarHBondContact O-CB 3.45Å; G1412-A1416 PolarHBondContact O-N 3.36Å
1413Q91.8Very high89.6Confident30 Ų3038.8 Ų38.814%0.1420%0.197CC..Hα-helixtrans-65.4-40.3173.9-63.6-65-66.100112.2I1409 E1410 L1411 A1416 N1417 L1446 M1492 R1494I1409-Q1413 WeakPolarHBondContact O-CG 3.23Å; I1409-Q1413 PolarHBondContact O-N 3.3Å; I1409-Q1413 VanDerWaalsContact O-N 3.09Å; E1410-Q1413 WeakPolarHBondContact O-CB 3.21Å; E1410-Q1413 PolarHBondContact O-N 3.42Å; L1411-Q1413 VanDerWaalsContact C-N 3.33Å; L1411-Q1413 PolarHBondContact O-N 3.45Å; Q1413-A1416 PolarHBondContact O-N 2.74Å; Q1413-N1417 PolarHBondContact O-N 2.81Å; Q1413-L1446 VanDerWaalsContact NE2-CD2 3.34Å; Q1413-M1492 VanDerWaalsContact NE2-CE 3.31Å; Q1413-R1494 PolarHBondContact NE2-O 2.92Å
1414S89.1Confident89.5Confident51 Ų5139.1 Ų39.136%0.35720%0.203SC..Hα-helixtrans-63.5-49176.3161.10000111.9E1410 L1411 A1416 N1417 E1418E1410-S1414 PolarHBondContact O-N 2.99Å; L1411-S1414 WeakPolarHBondContact O-CB 3.15Å; L1411-S1414 PolarHBondContact O-N 2.91Å; S1414-A1416 VanDerWaalsContact C-N 3.27Å; S1414-A1416 PolarHBondContact O-N 3.24Å; S1414-N1417 PolarHBondContact O-N 2.91Å; S1414-E1418 PolarHBondContact O-N 3.29Å
1415L90.3Very high89.3Confident0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-60-38.7176.6-74.1169.1000111.4L1291 R1294 L1411 N1417 E1418 V1419L1291-L1415 HydrophobicContact CD2-CD2 4Å; R1294-L1415 HydrophobicContact CB-CD2 4.05Å; L1411-L1415 HydrophobicContact CD2-CD1 4.06Å; L1411-L1415 HydrophobicContact CG-CD1 4.35Å; L1411-L1415 WeakPolarHBondContact O-CG 3.39Å; L1411-L1415 PolarHBondContact O-N 3.24Å; L1415-N1417 VanDerWaalsContact C-N 3.26Å; L1415-N1417 PolarHBondContact O-N 3.25Å; L1415-E1418 PolarHBondContact O-N 2.79Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.25Å; L1415-V1419 PolarHBondContact O-N 2.71Å
1416A90.3Very high89.1Confident0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-63.2-30.617600000113.7G1412 Q1413 S1414 M1420 T1442 L1446 R1494 I1497G1412-A1416 WeakPolarHBondContact O-CB 3.45Å; G1412-A1416 PolarHBondContact O-N 3.36Å; Q1413-A1416 PolarHBondContact O-N 2.74Å; S1414-A1416 VanDerWaalsContact C-N 3.27Å; S1414-A1416 PolarHBondContact O-N 3.24Å; A1416-M1420 WeakPolarHBondContact O-CB 3.36Å; A1416-M1420 PolarHBondContact O-N 2.64Å; A1416-T1442 HydrophobicContact CB-CG2 3.86Å; A1416-L1446 HydrophobicContact CB-CD1 4.1Å; A1416-L1446 HydrophobicContact CB-CD2 4.47Å; A1416-R1494 PolarHBondContact O-NH1 2.86Å; A1416-I1497 HydrophobicContact CB-CD1 3.81Å; A1416-I1497 HydrophobicContact CB-CG1 4.28Å; A1416-I1497 WeakPolarHBondContact O-CD1 3.39Å
1417N88.1Confident88.9Confident73 Ų7341 Ų4139%0.3921%0.207SC..Hα-helixtrans-76.9-43.5172.7-81.2-13.6000112Q1413 S1414 L1415 V1419 M1420 N1421 R1494Q1413-N1417 PolarHBondContact O-N 2.81Å; S1414-N1417 PolarHBondContact O-N 2.91Å; L1415-N1417 VanDerWaalsContact C-N 3.26Å; L1415-N1417 PolarHBondContact O-N 3.25Å; N1417-V1419 PolarHBondContact O-N 2.63Å; N1417-M1420 PolarHBondContact O-N 3.41Å; N1417-N1421 PolarHBondContact O-N 3.5Å; N1417-R1494 PolarHBondContact OD1-NE 2.82Å; N1417-R1494 PolarHBondContact OD1-NH1 3.25Å; N1417-R1494 PolarHBondContact OD1-NH2 3.09Å
1418E88Confident88.5Confident57 Ų5743.9 Ų43.927%0.26622%0.215SC..Hα-helixtrans-57-48.7176.2-81.1-178.9-159.300111.4L1291 R1294 S1414 L1415 M1420 N1421 S1422L1291-E1418 HydrophobicContact CD2-CB 4.26Å; R1294-E1418 IonicContact CZ-OE1 3.18Å; R1294-E1418 IonicContact CZ-OE2 3.96Å; R1294-E1418 VanDerWaalsContact NH1-CD 3.33Å; R1294-E1418 IonicContact NH1-OE1 2.77Å; R1294-E1418 PolarHBondContact NH1-OE1 2.8Å; R1294-E1418 IonicContact NH1-OE2 3.15Å; R1294-E1418 PolarHBondContact NH1-OE2 2.84Å; R1294-E1418 IonicContact NH2-OE1 3.43Å; R1294-E1418 PolarHBondContact NH2-OE1 2.84Å; R1294-E1418 IonicContact NH2-OE2 2.91Å; S1414-E1418 PolarHBondContact O-N 3.29Å; L1415-E1418 PolarHBondContact O-N 2.79Å; E1418-M1420 VanDerWaalsContact C-N 3.32Å; E1418-M1420 PolarHBondContact O-N 3.12Å; E1418-N1421 PolarHBondContact O-N 2.99Å; E1418-S1422 PolarHBondContact O-N 2.9Å; E1418-S1422 PolarHBondContact O-OG 2.92Å
1419V89.5Confident88.2Confident0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-57.4-48177.4170.60000110.4L1291 L1295 L1415 N1417 N1421 S1422 L1423 L1438 I1497L1291-V1419 HydrophobicContact CD1-CG2 4.31Å; L1291-V1419 HydrophobicContact CD2-CG2 3.76Å; L1295-V1419 HydrophobicContact CD1-CG2 3.95Å; L1415-V1419 WeakPolarHBondContact O-CG2 3.25Å; L1415-V1419 PolarHBondContact O-N 2.71Å; N1417-V1419 PolarHBondContact O-N 2.63Å; V1419-N1421 VanDerWaalsContact C-N 3.32Å; V1419-N1421 PolarHBondContact O-N 3.17Å; V1419-S1422 PolarHBondContact O-N 3.37Å; V1419-S1422 VanDerWaalsContact O-N 3.11Å; V1419-L1423 HydrophobicContact CG1-CD1 4.41Å; V1419-L1423 HydrophobicContact CG1-CG 4.28Å; V1419-L1423 WeakPolarHBondContact O-CG 3.29Å; V1419-L1423 PolarHBondContact O-N 2.91Å; V1419-L1438 HydrophobicContact CG1-CB 3.89Å; V1419-L1438 HydrophobicContact CG2-CB 4.34Å; V1419-I1497 HydrophobicContact CB-CD1 4.46Å; V1419-I1497 HydrophobicContact CG1-CD1 4.4Å
1420M87.4Confident88Confident68 Ų6850.2 Ų50.234%0.33525%0.249SC..Hα-helixtrans-64.2-37.4-175.4-148-92-75.400112.4A1416 N1417 E1418 S1422 L1423 R1494 I1497A1416-M1420 WeakPolarHBondContact O-CB 3.36Å; A1416-M1420 PolarHBondContact O-N 2.64Å; N1417-M1420 PolarHBondContact O-N 3.41Å; E1418-M1420 VanDerWaalsContact C-N 3.32Å; E1418-M1420 PolarHBondContact O-N 3.12Å; M1420-S1422 VanDerWaalsContact C-N 3.29Å; M1420-S1422 PolarHBondContact O-N 3.1Å; M1420-L1423 PolarHBondContact O-N 3.17Å; M1420-R1494 VanDerWaalsContact CB-NH1 3.35Å; M1420-R1494 VanDerWaalsContact CE-CZ 3.42Å; M1420-R1494 VanDerWaalsContact CE-NH1 3.31Å; M1420-I1497 HydrophobicContact CG-CG2 4.15Å
1421N83.9Confident88Confident104 Ų10445.4 Ų45.456%0.55623%0.227SC*.Hα-helixtrans-67.4-28.2175.9-70.3-6.9000113.1N1417 E1418 V1419 T1424N1417-N1421 PolarHBondContact O-N 3.5Å; E1418-N1421 PolarHBondContact O-N 2.99Å; V1419-N1421 VanDerWaalsContact C-N 3.32Å; V1419-N1421 PolarHBondContact O-N 3.17Å; N1421-T1424 PolarHBondContact O-OG1 2.75Å
1422S87.1Confident87.9Confident3 Ų345.9 Ų45.92%0.02123%0.226CC..Hα-helixtrans-91.2-15.5-179.3-61.50000113.6W1260 H1287 E1418 V1419 M1420 T1424 E1425 F1426W1260-S1422 PolarHBondContact NE1-OG 3.47Å; H1287-S1422 PolarHBondContact CD2-OG 3.43Å; H1287-S1422 PolarHBondContact NE2-OG 2.88Å; E1418-S1422 PolarHBondContact O-N 2.9Å; E1418-S1422 PolarHBondContact O-OG 2.92Å; V1419-S1422 PolarHBondContact O-N 3.37Å; V1419-S1422 VanDerWaalsContact O-N 3.11Å; M1420-S1422 VanDerWaalsContact C-N 3.29Å; M1420-S1422 PolarHBondContact O-N 3.1Å; S1422-T1424 VanDerWaalsContact C-N 3.35Å; S1422-T1424 PolarHBondContact O-N 2.87Å; S1422-E1425 PolarHBondContact O-N 2.86Å; S1422-E1425 VanDerWaalsContact O-N 3.16Å; S1422-F1426 WeakPolarHBondContact O-CD2 3.25Å; S1422-F1426 PolarHBondContact O-N 2.79Å
1423L87.4Confident87.7Confident1 Ų148 Ų481%0.00525%0.248CC..Hα-helixtrans-61-38.9-178.7-77.8172.8000113.5V1419 M1420 E1425 F1426 W1427 I1439 I1497 C1499 Y1502V1419-L1423 HydrophobicContact CG1-CD1 4.41Å; V1419-L1423 HydrophobicContact CG1-CG 4.28Å; V1419-L1423 WeakPolarHBondContact O-CG 3.29Å; V1419-L1423 PolarHBondContact O-N 2.91Å; M1420-L1423 PolarHBondContact O-N 3.17Å; L1423-E1425 VanDerWaalsContact C-N 3.31Å; L1423-E1425 PolarHBondContact O-N 2.88Å; L1423-F1426 PolarHBondContact O-N 2.92Å; L1423-W1427 WeakPolarHBondContact O-CB 3.09Å; L1423-W1427 PolarHBondContact O-N 2.8Å; L1423-I1439 HydrophobicContact CD1-CD1 3.84Å; L1423-I1439 HydrophobicContact CD1-CG1 3.82Å; L1423-I1439 HydrophobicContact CD2-CD1 3.77Å; L1423-I1439 HydrophobicContact CD2-CG1 3.82Å; L1423-I1439 HydrophobicContact CG-CD1 4.48Å; L1423-I1439 HydrophobicContact CG-CG1 4.46Å; L1423-I1497 HydrophobicContact CD1-CG2 4.31Å; L1423-C1499 HydrophobicContact CD1-CB 3.91Å; L1423-Y1502 HydrophobicContact CB-CE2 4.15Å; L1423-Y1502 HydrophobicContact CD2-CD2 4Å; L1423-Y1502 HydrophobicContact CD2-CE2 3.63Å; L1423-Y1502 HydrophobicContact CG-CE2 4.39Å
1424T85Confident87.7Confident60 Ų6049.6 Ų49.637%0.36826%0.255SS..Hα-helixtrans-61.5-40.7175.525.90000111.8N1421 S1422 W1427 Y1428 M1501N1421-T1424 PolarHBondContact O-OG1 2.75Å; S1422-T1424 VanDerWaalsContact C-N 3.35Å; S1422-T1424 PolarHBondContact O-N 2.87Å; T1424-W1427 WeakPolarHBondContact O-CB 3.45Å; T1424-W1427 PolarHBondContact O-N 3.32Å; T1424-Y1428 WeakPolarHBondContact O-CD2 3.29Å; T1424-Y1428 PolarHBondContact O-N 2.93Å; T1424-M1501 HydrophobicContact CG2-CE 3.66Å
1425E87Confident87.7Confident13 Ų1347.1 Ų47.16%0.06124%0.238CC..Hα-helixtrans-72.2-39.2179.7-65.9-54.5148.300112.5W1260 H1264 L1284 S1422 L1423 W1427 Y1428 T1429W1260-E1425 HydrophobicContact CB-CG 3.73Å; W1260-E1425 HydrophobicContact CD2-CG 4.19Å; W1260-E1425 HydrophobicContact CG-CG 3.61Å; H1264-E1425 IonicContact CD2-OE1 2.78Å; H1264-E1425 IonicContact NE2-OE1 3.08Å; H1264-E1425 IonicContact NE2-OE2 2.84Å; L1284-E1425 HydrophobicContact CD1-CB 4.04Å; L1284-E1425 HydrophobicContact CD2-CB 3.7Å; S1422-E1425 PolarHBondContact O-N 2.86Å; S1422-E1425 VanDerWaalsContact O-N 3.16Å; L1423-E1425 VanDerWaalsContact C-N 3.31Å; L1423-E1425 PolarHBondContact O-N 2.88Å; E1425-W1427 PolarHBondContact O-N 3.16Å; E1425-Y1428 PolarHBondContact O-N 3.22Å; E1425-T1429 WeakPolarHBondContact O-CB 3.28Å; E1425-T1429 PolarHBondContact O-N 3.14Å; E1425-T1429 PolarHBondContact O-OG1 2.84Å
1426F88.8Confident87.8Confident0 Ų054.2 Ų54.20%027%0.265CS..Hα-helixtrans-60-37.1171.4-69.2-50.3000111.6L1284 S1422 L1423 T1429 N1430 M1431 L1438L1284-F1426 HydrophobicContact CB-CE1 4.27Å; L1284-F1426 HydrophobicContact CD2-CD1 4.25Å; L1284-F1426 HydrophobicContact CD2-CE1 4Å; L1284-F1426 HydrophobicContact CD2-CZ 4.48Å; S1422-F1426 WeakPolarHBondContact O-CD2 3.25Å; S1422-F1426 PolarHBondContact O-N 2.79Å; L1423-F1426 PolarHBondContact O-N 2.92Å; F1426-T1429 PolarHBondContact O-OG1 2.78Å; F1426-N1430 PolarHBondContact O-N 3.22Å; F1426-M1431 HydrophobicContact CB-CB 4.27Å; F1426-M1431 HydrophobicContact CD1-CB 4.04Å; F1426-M1431 HydrophobicContact CD1-CE 4.4Å; F1426-M1431 HydrophobicContact CD1-SD 4.21Å; F1426-M1431 HydrophobicContact CE1-CE 4.43Å; F1426-M1431 WeakPolarHBondContact O-CA 3.26Å; F1426-M1431 PolarHBondContact O-N 3.36Å; F1426-L1438 HydrophobicContact CD2-CD1 4.44Å; F1426-L1438 HydrophobicContact CE2-CD1 3.62Å; F1426-L1438 HydrophobicContact CZ-CD1 4.13Å
1427W86.4Confident87.8Confident99 Ų9956.8 Ų56.838%0.37528%0.28SS..Hα-helixtrans-67.6-50175.5-171.990.8000112L1423 T1424 E1425 T1429 N1430 F1432 M1501L1423-W1427 WeakPolarHBondContact O-CB 3.09Å; L1423-W1427 PolarHBondContact O-N 2.8Å; T1424-W1427 WeakPolarHBondContact O-CB 3.45Å; T1424-W1427 PolarHBondContact O-N 3.32Å; E1425-W1427 PolarHBondContact O-N 3.16Å; W1427-T1429 PolarHBondContact O-N 2.69Å; W1427-N1430 PolarHBondContact O-N 3Å; W1427-N1430 VanDerWaalsContact O-N 3.1Å; W1427-F1432 AromaticContact CD1-CD1 3.98Å; W1427-F1432 AromaticContact CD1-CE1 3.55Å; W1427-F1432 HydrophobicContact CG-CE1 4.1Å; W1427-F1432 AromaticContact NE1-CE1 3.82Å; W1427-M1501 HydrophobicContact CB-CE 4.16Å; W1427-M1501 HydrophobicContact CB-SD 4.4Å; W1427-M1501 HydrophobicContact CD2-CE 4Å; W1427-M1501 HydrophobicContact CD2-SD 3.41Å; W1427-M1501 VanDerWaalsContact CE2-SD 3.53Å; W1427-M1501 HydrophobicContact CE3-CE 4.08Å; W1427-M1501 HydrophobicContact CE3-SD 3.83Å; W1427-M1501 HydrophobicContact CG-CB 4.38Å; W1427-M1501 HydrophobicContact CG-CE 4.03Å; W1427-M1501 HydrophobicContact CG-SD 3.66Å; W1427-M1501 HydrophobicContact CH2-SD 4.42Å; W1427-M1501 HydrophobicContact CZ2-SD 4.06Å; W1427-M1501 HydrophobicContact CZ3-SD 4.31Å
1428Y83.3Confident88Confident158 Ų15853.4 Ų53.462%0.6226%0.262SS*.Hα-helixtrans-59.7-30.6178.7-82.9-61.2000113.5T1424 E1425T1424-Y1428 WeakPolarHBondContact O-CD2 3.29Å; T1424-Y1428 PolarHBondContact O-N 2.93Å; E1425-Y1428 PolarHBondContact O-N 3.22Å
1429T85.9Confident88.2Confident26 Ų2651.7 Ų51.716%0.1626%0.255CS..THydrogen-bonded Turntrans-93.57-179.956.10000114.6L1280 L1284 E1425 F1426 W1427 M1431L1280-T1429 HydrophobicContact CD2-CG2 4.18Å; L1284-T1429 HydrophobicContact CD1-CG2 3.58Å; E1425-T1429 WeakPolarHBondContact O-CB 3.28Å; E1425-T1429 PolarHBondContact O-N 3.14Å; E1425-T1429 PolarHBondContact O-OG1 2.84Å; F1426-T1429 PolarHBondContact O-OG1 2.78Å; W1427-T1429 PolarHBondContact O-N 2.69Å; T1429-M1431 VanDerWaalsContact C-N 3.35Å
1430N87.8Confident88.3Confident120 Ų12061.5 Ų61.564%0.64229%0.292SS*.THydrogen-bonded Turntrans63.428.7-178.5-59.7-56.2000115.2F1426 W1427 F1432F1426-N1430 PolarHBondContact O-N 3.22Å; W1427-N1430 PolarHBondContact O-N 3Å; W1427-N1430 VanDerWaalsContact O-N 3.1Å; N1430-F1432 HydrophobicContact CB-CE2 4Å; N1430-F1432 HydrophobicContact CB-CZ 4.25Å; N1430-F1432 PolarHBondContact O-N 2.99Å; N1430-F1432 WeakPolarHBondContact OD1-CZ 3.41Å
1431M88.5Confident88.6Confident15 Ų1559.4 Ų59.47%0.07428%0.284CS..  trans-95.359.4176.5-65.2-174.965.400111.9L1284 I1285 F1426 T1429 E1434 G1435L1284-M1431 HydrophobicContact CB-SD 4.44Å; I1285-M1431 HydrophobicContact CG1-CE 3.89Å; I1285-M1431 HydrophobicContact CG1-SD 4.19Å; F1426-M1431 HydrophobicContact CB-CB 4.27Å; F1426-M1431 HydrophobicContact CD1-CB 4.04Å; F1426-M1431 HydrophobicContact CD1-CE 4.4Å; F1426-M1431 HydrophobicContact CD1-SD 4.21Å; F1426-M1431 HydrophobicContact CE1-CE 4.43Å; F1426-M1431 WeakPolarHBondContact O-CA 3.26Å; F1426-M1431 PolarHBondContact O-N 3.36Å; T1429-M1431 VanDerWaalsContact C-N 3.35Å; M1431-E1434 VanDerWaalsContact C-OE2 3.23Å; M1431-E1434 WeakPolarHBondContact CA-OE2 3.14Å; M1431-E1434 HydrophobicContact CB-CB 4.44Å; M1431-E1434 HydrophobicContact CE-CB 4.3Å; M1431-E1434 HydrophobicContact CE-CG 3.74Å; M1431-G1435 PolarHBondContact O-N 2.79Å
1432F88.9Confident89.1Confident86 Ų8654.5 Ų54.538%0.37726%0.258SS..Hα-helixtrans-69.7-35.7-172.2-52.1-66.1000113.8W1427 N1430 R1436 Y1502W1427-F1432 AromaticContact CD1-CD1 3.98Å; W1427-F1432 AromaticContact CD1-CE1 3.55Å; W1427-F1432 HydrophobicContact CG-CE1 4.1Å; W1427-F1432 AromaticContact NE1-CE1 3.82Å; N1430-F1432 HydrophobicContact CB-CE2 4Å; N1430-F1432 HydrophobicContact CB-CZ 4.25Å; N1430-F1432 PolarHBondContact O-N 2.99Å; N1430-F1432 WeakPolarHBondContact OD1-CZ 3.41Å; F1432-R1436 PolarHBondContact O-N 3.13Å; F1432-Y1502 WeakPolarHBondContact O-CE1 3.5Å
1433G88.2Confident89.4Confident44 Ų4455.5 Ų55.545%0.45426%0.263SS..Hα-helixtrans-68.6-40.1-176.700000112.4T1437G1433-T1437 PolarHBondContact O-N 2.96Å; G1433-T1437 VanDerWaalsContact O-N 3.14Å; G1433-T1437 PolarHBondContact O-OG1 2.85Å
1434E90.9Very high89.6Confident63 Ų6358.5 Ų58.529%0.29428%0.279SS..Hα-helixtrans-61.6-49.1176.6-66.188.1166.600110.9Y1288 M1431 R1436 T1437 L1438Y1288-E1434 HydrophobicContact CD1-CG 4.08Å; Y1288-E1434 HydrophobicContact CD2-CB 3.58Å; Y1288-E1434 HydrophobicContact CD2-CG 4.03Å; Y1288-E1434 HydrophobicContact CE1-CG 3.96Å; Y1288-E1434 HydrophobicContact CE2-CB 3.53Å; Y1288-E1434 HydrophobicContact CE2-CG 3.89Å; Y1288-E1434 HydrophobicContact CG-CB 4.1Å; Y1288-E1434 HydrophobicContact CG-CG 4.11Å; M1431-E1434 VanDerWaalsContact C-OE2 3.23Å; M1431-E1434 WeakPolarHBondContact CA-OE2 3.14Å; M1431-E1434 HydrophobicContact CB-CB 4.44Å; M1431-E1434 HydrophobicContact CE-CB 4.3Å; M1431-E1434 HydrophobicContact CE-CG 3.74Å; E1434-R1436 PolarHBondContact O-N 2.96Å; E1434-T1437 PolarHBondContact O-N 3.28Å; E1434-L1438 PolarHBondContact O-N 2.79Å; E1434-L1438 VanDerWaalsContact O-N 3.13Å
1435G89.8Confident90Very high0 Ų055.6 Ų55.60%026%0.261CS..Hα-helixtrans-58.6-47.4177.100000113.3M1431 T1437 L1438 I1439M1431-G1435 PolarHBondContact O-N 2.79Å; G1435-T1437 VanDerWaalsContact C-N 3.3Å; G1435-T1437 PolarHBondContact O-N 2.94Å; G1435-L1438 PolarHBondContact O-N 3.09Å; G1435-I1439 WeakPolarHBondContact O-CG1 3.48Å; G1435-I1439 PolarHBondContact O-N 3.25Å; G1435-I1439 VanDerWaalsContact O-N 3.07Å
1436R90.6Very high90.3Very high148 Ų14855 Ų5556%0.55826%0.258SS*.Hα-helixtrans-60.8-38.3177.2-76.3-173.5174.6154.82.8113F1432 E1434 I1439 R1440 Y1502F1432-R1436 PolarHBondContact O-N 3.13Å; E1434-R1436 PolarHBondContact O-N 2.96Å; R1436-I1439 PolarHBondContact O-N 2.99Å; R1436-R1440 PolarHBondContact O-N 2.89Å; R1436-R1440 VanDerWaalsContact O-N 3.1Å; R1436-Y1502 HydrophobicContact CG-CD1 3.53Å; R1436-Y1502 HydrophobicContact CG-CE1 4Å
1437T92Very high90.5Very high54 Ų5461 Ų6133%0.33128%0.281SS..Hα-helixtrans-64.3-45.5179.7-52.10000110.5G1433 E1434 G1435 R1440 S1441G1433-T1437 PolarHBondContact O-N 2.96Å; G1433-T1437 VanDerWaalsContact O-N 3.14Å; G1433-T1437 PolarHBondContact O-OG1 2.85Å; E1434-T1437 PolarHBondContact O-N 3.28Å; G1435-T1437 VanDerWaalsContact C-N 3.3Å; G1435-T1437 PolarHBondContact O-N 2.94Å; T1437-R1440 PolarHBondContact O-N 3.35Å; T1437-S1441 PolarHBondContact O-N 3.42Å; T1437-S1441 PolarHBondContact O-OG 2.85Å
1438L92.6Very high90.7Very high2 Ų259.4 Ų59.41%0.0128%0.277CS..Hα-helixtrans-63-42.3177.4-71.5174.4000112.3Y1288 L1291 K1292 L1295 V1419 F1426 E1434 G1435 R1440 S1441 T1442Y1288-L1438 HydrophobicContact CD2-CD1 3.86Å; Y1288-L1438 HydrophobicContact CD2-CD2 4.46Å; Y1288-L1438 HydrophobicContact CD2-CG 4.05Å; Y1288-L1438 HydrophobicContact CE2-CD1 4.39Å; Y1288-L1438 HydrophobicContact CE2-CD2 4.48Å; Y1288-L1438 HydrophobicContact CE2-CG 4.09Å; L1291-L1438 HydrophobicContact CB-CD2 4.04Å; L1291-L1438 HydrophobicContact CD1-CD1 4.34Å; K1292-L1438 HydrophobicContact CB-CD2 4.41Å; L1295-L1438 HydrophobicContact CD1-CD2 3.82Å; V1419-L1438 HydrophobicContact CG1-CB 3.89Å; V1419-L1438 HydrophobicContact CG2-CB 4.34Å; F1426-L1438 HydrophobicContact CD2-CD1 4.44Å; F1426-L1438 HydrophobicContact CE2-CD1 3.62Å; F1426-L1438 HydrophobicContact CZ-CD1 4.13Å; E1434-L1438 PolarHBondContact O-N 2.79Å; E1434-L1438 VanDerWaalsContact O-N 3.13Å; G1435-L1438 PolarHBondContact O-N 3.09Å; L1438-R1440 PolarHBondContact O-N 2.91Å; L1438-S1441 PolarHBondContact O-N 3.44Å; L1438-T1442 WeakPolarHBondContact O-CB 3.13Å; L1438-T1442 PolarHBondContact O-N 3.49Å; L1438-T1442 PolarHBondContact O-OG1 2.79Å
1439I91.6Very high91.2Very high22 Ų2251.9 Ų51.911%0.11325%0.247CC..Hα-helixtrans-58.6-49.1176.5-67.8168.8000110.6L1423 G1435 R1436 T1442 N1443 C1499 Y1502L1423-I1439 HydrophobicContact CD1-CD1 3.84Å; L1423-I1439 HydrophobicContact CD1-CG1 3.82Å; L1423-I1439 HydrophobicContact CD2-CD1 3.77Å; L1423-I1439 HydrophobicContact CD2-CG1 3.82Å; L1423-I1439 HydrophobicContact CG-CD1 4.48Å; L1423-I1439 HydrophobicContact CG-CG1 4.46Å; G1435-I1439 WeakPolarHBondContact O-CG1 3.48Å; G1435-I1439 PolarHBondContact O-N 3.25Å; G1435-I1439 VanDerWaalsContact O-N 3.07Å; R1436-I1439 PolarHBondContact O-N 2.99Å; I1439-T1442 PolarHBondContact O-N 3.41Å; I1439-N1443 WeakPolarHBondContact O-CB 3.41Å; I1439-N1443 PolarHBondContact O-N 3.29Å; I1439-C1499 HydrophobicContact CD1-CB 4.43Å; I1439-Y1502 HydrophobicContact CD1-CD1 4.28Å; I1439-Y1502 HydrophobicContact CD1-CD2 3.78Å; I1439-Y1502 HydrophobicContact CD1-CG 3.58Å
1440R92.2Very high91.4Very high206 Ų20656.1 Ų56.178%0.77726%0.263SS*.Hα-helixtrans-59.4-53179.5-90.2-175.2178.9155.20.2112.1R1436 T1437 L1438 T1442 N1443 D1444R1436-R1440 PolarHBondContact O-N 2.89Å; R1436-R1440 VanDerWaalsContact O-N 3.1Å; T1437-R1440 PolarHBondContact O-N 3.35Å; L1438-R1440 PolarHBondContact O-N 2.91Å; R1440-T1442 VanDerWaalsContact C-N 3.27Å; R1440-T1442 PolarHBondContact O-N 2.79Å; R1440-N1443 PolarHBondContact O-N 2.77Å; R1440-D1444 PolarHBondContact O-N 2.82Å
1441S93.2Very high91.5Very high24 Ų2456.8 Ų56.817%0.16826%0.263CS..Hα-helixtrans-60.3-39.3-178.7-63.10000111.9T1437 L1438 D1444 L1445T1437-S1441 PolarHBondContact O-N 3.42Å; T1437-S1441 PolarHBondContact O-OG 2.85Å; L1438-S1441 PolarHBondContact O-N 3.44Å; S1441-D1444 PolarHBondContact O-N 2.85Å; S1441-L1445 PolarHBondContact O-N 2.88Å; S1441-L1445 VanDerWaalsContact O-N 3.17Å
1442T93.4Very high91.6Very high0 Ų056.2 Ų56.20%026%0.261CS..Hα-helixtrans-70.2-41.9179.7-47.10000112.2L1295 A1416 L1438 I1439 R1440 D1444 L1445 L1446 I1497L1295-T1442 WeakPolarHBondContact CD1-OG1 3.17Å; L1295-T1442 HydrophobicContact CD2-CG2 4.31Å; A1416-T1442 HydrophobicContact CB-CG2 3.86Å; L1438-T1442 WeakPolarHBondContact O-CB 3.13Å; L1438-T1442 PolarHBondContact O-N 3.49Å; L1438-T1442 PolarHBondContact O-OG1 2.79Å; I1439-T1442 PolarHBondContact O-N 3.41Å; R1440-T1442 VanDerWaalsContact C-N 3.27Å; R1440-T1442 PolarHBondContact O-N 2.79Å; T1442-D1444 PolarHBondContact O-N 2.83Å; T1442-L1445 PolarHBondContact O-N 3.12Å; T1442-L1446 HydrophobicContact CG2-CD1 4.36Å; T1442-L1446 WeakPolarHBondContact O-CG 3.05Å; T1442-L1446 PolarHBondContact O-N 3.35Å; T1442-I1497 HydrophobicContact CG2-CD1 3.41Å; T1442-I1497 VanDerWaalsContact CG2-CD1 3.41Å; T1442-I1497 HydrophobicContact CG2-CG1 4.39Å
1443N93.4Very high91.6Very high24 Ų2454 Ų5413%0.12825%0.252CS..Hα-helixtrans-65.1-29.6175.9-76.9-17.6000112.5I1439 R1440 R1447 I1497I1439-N1443 WeakPolarHBondContact O-CB 3.41Å; I1439-N1443 PolarHBondContact O-N 3.29Å; R1440-N1443 PolarHBondContact O-N 2.77Å; N1443-R1447 WeakPolarHBondContact O-CB 3.46Å; N1443-R1447 PolarHBondContact O-N 2.96Å; N1443-R1447 VanDerWaalsContact O-N 3.16Å; N1443-I1497 PolarHBondContact ND2-O 3.05Å; N1443-I1497 PolarHBondContact OD1-N 3.18Å
1444D92.4Very high91.4Very high64 Ų6456.2 Ų56.234%0.34226%0.261SS..Hα-helixtrans-68.2-45.9173.6-129.435000111.9R1440 S1441 T1442 R1447 K1448R1440-D1444 PolarHBondContact O-N 2.82Å; S1441-D1444 PolarHBondContact O-N 2.85Å; T1442-D1444 PolarHBondContact O-N 2.83Å; D1444-R1447 PolarHBondContact O-N 3.44Å; D1444-R1447 IonicContact OD1-CZ 2.73Å; D1444-R1447 IonicContact OD1-NH1 3.47Å; D1444-R1447 PolarHBondContact OD1-NH1 2.83Å; D1444-R1447 IonicContact OD1-NH2 3.48Å; D1444-R1447 PolarHBondContact OD1-NH2 3.48Å; D1444-K1448 PolarHBondContact O-N 3.37Å; D1444-K1448 VanDerWaalsContact O-N 3.13Å
1445L93.5Very high91.2Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-58.5-50.7174.9179.764000111.9L1295 I1299 S1441 T1442 R1447 K1448 Q1449L1295-L1445 HydrophobicContact CD2-CD2 4.28Å; I1299-L1445 HydrophobicContact CB-CD1 4.46Å; I1299-L1445 HydrophobicContact CD1-CB 4.34Å; I1299-L1445 HydrophobicContact CG1-CB 3.81Å; I1299-L1445 HydrophobicContact CG1-CD1 3.78Å; I1299-L1445 HydrophobicContact CG1-CG 4.25Å; S1441-L1445 PolarHBondContact O-N 2.88Å; S1441-L1445 VanDerWaalsContact O-N 3.17Å; T1442-L1445 PolarHBondContact O-N 3.12Å; L1445-R1447 VanDerWaalsContact C-N 3.28Å; L1445-R1447 PolarHBondContact O-N 3.44Å; L1445-K1448 PolarHBondContact O-N 3.43Å; L1445-Q1449 HydrophobicContact CD1-CG 4.3Å; L1445-Q1449 WeakPolarHBondContact O-CG 3.36Å; L1445-Q1449 PolarHBondContact O-N 3.16Å
1446L93.3Very high91.1Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-61.9-37-178.2-68.8176.5000112.2Q1413 A1416 T1442 K1450 M1492 I1497Q1413-L1446 VanDerWaalsContact NE2-CD2 3.34Å; A1416-L1446 HydrophobicContact CB-CD1 4.1Å; A1416-L1446 HydrophobicContact CB-CD2 4.47Å; T1442-L1446 HydrophobicContact CG2-CD1 4.36Å; T1442-L1446 WeakPolarHBondContact O-CG 3.05Å; T1442-L1446 PolarHBondContact O-N 3.35Å; L1446-K1450 WeakPolarHBondContact O-CB 3.5Å; L1446-K1450 PolarHBondContact O-N 3.28Å; L1446-M1492 HydrophobicContact CB-CE 4.41Å; L1446-M1492 HydrophobicContact CD2-CE 3.67Å; L1446-I1497 HydrophobicContact CD1-CG1 4.28Å
1447R93.2Very high90.9Very high126 Ų12649.1 Ų49.148%0.47524%0.239SC..Hα-helixtrans-65.5-47.8177.5-163.5-169.3-41.9123.517.8111.5N1443 D1444 L1445 K1450 Q1451N1443-R1447 WeakPolarHBondContact O-CB 3.46Å; N1443-R1447 PolarHBondContact O-N 2.96Å; N1443-R1447 VanDerWaalsContact O-N 3.16Å; D1444-R1447 PolarHBondContact O-N 3.44Å; D1444-R1447 IonicContact OD1-CZ 2.73Å; D1444-R1447 IonicContact OD1-NH1 3.47Å; D1444-R1447 PolarHBondContact OD1-NH1 2.83Å; D1444-R1447 IonicContact OD1-NH2 3.48Å; D1444-R1447 PolarHBondContact OD1-NH2 3.48Å; L1445-R1447 VanDerWaalsContact C-N 3.28Å; L1445-R1447 PolarHBondContact O-N 3.44Å; R1447-K1450 PolarHBondContact O-N 3.28Å; R1447-Q1451 WeakPolarHBondContact O-CG 3.08Å; R1447-Q1451 PolarHBondContact O-N 3.25Å; R1447-Q1451 VanDerWaalsContact O-N 3.09Å
1448K90.9Very high90.5Very high65 Ų6548.9 Ų48.928%0.28324%0.235SC..Hα-helixtrans-59.8-45.5177.4-74.7-177.9168.4-167.30112.1Y1302 D1303 D1444 L1445 K1450 Q1451 G1452Y1302-K1448 HydrophobicContact CD1-CB 4.37Å; Y1302-K1448 HydrophobicContact CE1-CB 4.04Å; Y1302-K1448 PolarHBondContact OH-O 3.31Å; D1303-K1448 WeakPolarHBondContact OD1-CD 3.22Å; D1303-K1448 IonicContact OD1-NZ 2.65Å; D1303-K1448 PolarHBondContact OD1-NZ 3.47Å; D1303-K1448 IonicContact OD2-NZ 2.63Å; D1303-K1448 PolarHBondContact OD2-NZ 2.6Å; D1444-K1448 PolarHBondContact O-N 3.37Å; D1444-K1448 VanDerWaalsContact O-N 3.13Å; L1445-K1448 PolarHBondContact O-N 3.43Å; K1448-K1450 PolarHBondContact O-N 3.3Å; K1448-Q1451 PolarHBondContact O-N 3.48Å; K1448-G1452 PolarHBondContact O-N 3.41Å; K1448-G1452 VanDerWaalsContact O-N 3.08Å
1449Q93.2Very high89.5Confident0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-61.3-43.2177.6-74.3179.3-13.900112.3Y1302 S1408 I1409 L1445 Q1451 G1452 L1453 M1492Y1302-Q1449 HydrophobicContact CD1-CG 4.49Å; Y1302-Q1449 HydrophobicContact CD2-CG 3.83Å; Y1302-Q1449 HydrophobicContact CE1-CG 4.35Å; Y1302-Q1449 HydrophobicContact CE2-CB 4.41Å; Y1302-Q1449 HydrophobicContact CE2-CG 3.67Å; Y1302-Q1449 HydrophobicContact CG-CG 4.25Å; Y1302-Q1449 WeakPolarHBondContact OH-CA 3.29Å; S1408-Q1449 PolarHBondContact O-NE2 2.86Å; I1409-Q1449 HydrophobicContact CG1-CB 4.21Å; I1409-Q1449 HydrophobicContact CG1-CG 4.05Å; L1445-Q1449 HydrophobicContact CD1-CG 4.3Å; L1445-Q1449 WeakPolarHBondContact O-CG 3.36Å; L1445-Q1449 PolarHBondContact O-N 3.16Å; Q1449-Q1451 PolarHBondContact O-N 2.98Å; Q1449-G1452 PolarHBondContact O-N 2.81Å; Q1449-L1453 PolarHBondContact O-N 2.98Å; Q1449-M1492 HydrophobicContact CB-CE 3.58Å; Q1449-M1492 HydrophobicContact CB-SD 4.04Å
1450K90.2Very high88.4Confident115 Ų11560.5 Ų60.550%0.528%0.284SS..Hα-helixtrans-63.6-41.2178-173.4177.4-176.6177.10112.5L1446 R1447 K1448 M1492 T1495L1446-K1450 WeakPolarHBondContact O-CB 3.5Å; L1446-K1450 PolarHBondContact O-N 3.28Å; R1447-K1450 PolarHBondContact O-N 3.28Å; K1448-K1450 PolarHBondContact O-N 3.3Å; K1450-M1492 HydrophobicContact CB-SD 4.09Å; K1450-T1495 HydrophobicContact CD-CG2 3.78Å
1451Q89.9Confident87.4Confident135 Ų13551.3 Ų51.363%0.63125%0.251SS*.Hα-helixtrans-68.7-34.1179.1-73175.7-1600112.4R1447 K1448 Q1449 L1453R1447-Q1451 WeakPolarHBondContact O-CG 3.08Å; R1447-Q1451 PolarHBondContact O-N 3.25Å; R1447-Q1451 VanDerWaalsContact O-N 3.09Å; K1448-Q1451 PolarHBondContact O-N 3.48Å; Q1449-Q1451 PolarHBondContact O-N 2.98Å; Q1451-L1453 PolarHBondContact O-N 3.08Å
1452G89.4Confident86.1Confident3 Ų351.6 Ų51.63%0.03125%0.251CS..Hα-helixtrans-72.2-20.7-179.100000115.3K1448 Q1449 S1454 S1455 I1456K1448-G1452 PolarHBondContact O-N 3.41Å; K1448-G1452 VanDerWaalsContact O-N 3.08Å; Q1449-G1452 PolarHBondContact O-N 2.81Å; G1452-S1454 VanDerWaalsContact C-N 3.34Å; G1452-S1454 PolarHBondContact O-N 2.76Å; G1452-S1455 PolarHBondContact O-N 2.96Å; G1452-I1456 VanDerWaalsContact O-CG1 3.3Å; G1452-I1456 WeakPolarHBondContact O-CG1 3.01Å; G1452-I1456 PolarHBondContact O-N 3.05Å
1453L88.8Confident84.5Confident38 Ų3853.9 Ų53.920%0.19928%0.275CS..Hα-helixtrans-51.3-45.8-172.7-81.2163.2000114.2I1409 Q1449 Q1451 S1455 I1456 W1457 P1489 M1492I1409-L1453 HydrophobicContact CD1-CD2 4.34Å; Q1449-L1453 PolarHBondContact O-N 2.98Å; Q1451-L1453 PolarHBondContact O-N 3.08Å; L1453-S1455 VanDerWaalsContact C-N 3.29Å; L1453-S1455 PolarHBondContact O-N 3.12Å; L1453-I1456 PolarHBondContact O-N 2.76Å; L1453-W1457 HydrophobicContact CD2-CE3 3.89Å; L1453-W1457 HydrophobicContact CD2-CZ3 3.7Å; L1453-W1457 PolarHBondContact O-N 3.25Å; L1453-P1489 HydrophobicContact CD2-CB 3.72Å; L1453-M1492 HydrophobicContact CD1-SD 4.27Å
1454S84.3Confident82.5Confident92 Ų9260.1 Ų60.164%0.64330%0.301SS*.Hα-helixtrans-68.8-28.3-179.954.10000113.2G1452G1452-S1454 VanDerWaalsContact C-N 3.34Å; G1452-S1454 PolarHBondContact O-N 2.76Å
1455S86.3Confident80Confident46 Ų4662.1 Ų62.132%0.32232%0.319SS..Hα-helixtrans-82.7-36178.8-52.70000111.1R1313 G1452 L1453R1313-S1455 PolarHBondContact NH1-O 2.84Å; G1452-S1455 PolarHBondContact O-N 2.96Å; L1453-S1455 VanDerWaalsContact C-N 3.29Å; L1453-S1455 PolarHBondContact O-N 3.12Å
1456I88.3Confident77.3Confident0 Ų068.2 Ų68.20%035%0.35CS..Hα-helixtrans-72.4-47.3179.9-61.2165.5000110.5Y1302 F1306 L1309 R1313 L1402 L1405 G1452 L1453Y1302-I1456 HydrophobicContact CE2-CD1 4.43Å; F1306-I1456 HydrophobicContact CD2-CD1 3.9Å; F1306-I1456 HydrophobicContact CD2-CG1 3.75Å; F1306-I1456 HydrophobicContact CE2-CD1 4.15Å; F1306-I1456 HydrophobicContact CE2-CG1 3.74Å; L1309-I1456 HydrophobicContact CD2-CB 4.28Å; L1309-I1456 HydrophobicContact CD2-CG1 4.21Å; L1309-I1456 HydrophobicContact CD2-CG2 4.01Å; R1313-I1456 PolarHBondContact NH1-O 2.84Å; R1313-I1456 PolarHBondContact NH2-O 2.85Å; L1402-I1456 HydrophobicContact CD2-CG2 3.42Å; L1402-I1456 VanDerWaalsContact CD2-CG2 3.42Å; L1405-I1456 HydrophobicContact CB-CD1 4.49Å; L1405-I1456 HydrophobicContact CD1-CD1 4.15Å; L1405-I1456 HydrophobicContact CD1-CG1 4.12Å; L1405-I1456 HydrophobicContact CD1-CG2 4.08Å; L1405-I1456 HydrophobicContact CD2-CD1 4.24Å; G1452-I1456 VanDerWaalsContact O-CG1 3.3Å; G1452-I1456 WeakPolarHBondContact O-CG1 3.01Å; G1452-I1456 PolarHBondContact O-N 3.05Å; L1453-I1456 PolarHBondContact O-N 2.76Å
1457W87.7Confident74.5Confident16 Ų1673.4 Ų73.46%0.06139%0.393CS..SBendtrans-105.882.4178.3-71-88.9000110.9T1406 I1409 L1453 T1462 F1485 P1489 P1490T1406-W1457 WeakPolarHBondContact OG1-CZ2 3.09Å; I1409-W1457 HydrophobicContact CD1-CH2 3.94Å; I1409-W1457 HydrophobicContact CD1-CZ3 3.88Å; L1453-W1457 HydrophobicContact CD2-CE3 3.89Å; L1453-W1457 HydrophobicContact CD2-CZ3 3.7Å; L1453-W1457 PolarHBondContact O-N 3.25Å; W1457-T1462 HydrophobicContact CB-CG2 3.97Å; W1457-F1485 PolarHBondContact NE1-O 2.73Å; W1457-P1489 HydrophobicContact CB-CB 4.45Å; W1457-P1489 HydrophobicContact CD2-CB 3.72Å; W1457-P1489 HydrophobicContact CE3-CB 3.75Å; W1457-P1489 HydrophobicContact CG-CB 4.03Å; W1457-P1489 HydrophobicContact CZ3-CB 4.35Å; W1457-P1490 HydrophobicContact CH2-CG 3.78Å; W1457-P1490 HydrophobicContact CZ2-CG 4.27Å; W1457-P1490 HydrophobicContact CZ3-CG 4.36Å
1458D82.3Confident71.6Confident48 Ų4870.1 Ų70.126%0.25740%0.398SS..  trans-80.7170.717865.118.4000112.7R1313 W1460 T1461 T1462R1313-D1458 IonicContact CZ-OD2 3.84Å; R1313-D1458 VanDerWaalsContact CZ-OD2 3.28Å; R1313-D1458 IonicContact NE-OD2 2.74Å; R1313-D1458 VanDerWaalsContact NH1-CG 3.33Å; R1313-D1458 IonicContact NH1-OD2 3.87Å; R1313-D1458 PolarHBondContact NH1-OD2 2.81Å; D1458-W1460 PolarHBondContact O-N 3.49Å; D1458-W1460 PolarHBondContact OD1-N 2.91Å; D1458-T1461 PolarHBondContact N-OG1 2.69Å; D1458-T1461 VanDerWaalsContact N-OG1 3.07Å; D1458-T1461 PolarHBondContact O-N 3.33Å; D1458-T1461 PolarHBondContact O-OG1 3.44Å; D1458-T1461 VanDerWaalsContact O-OG1 3.1Å; D1458-T1461 WeakPolarHBondContact OD1-CB 3.46Å; D1458-T1461 PolarHBondContact OD1-N 3.08Å; D1458-T1461 PolarHBondContact OD1-OG1 2.74Å; D1458-T1462 WeakPolarHBondContact O-CG2 3.06Å; D1458-T1462 PolarHBondContact O-N 2.78Å; D1458-T1462 PolarHBondContact O-OG1 3.41Å
1459D72.2Confident68.7Low81 Ų8175.9 Ų75.943%0.43343%0.426SS..Hα-helixtrans-60.4-30-178.5-69.2-32000112.5T1462 G1463 K1464D1459-T1462 WeakPolarHBondContact CA-OG1 3.46Å; D1459-G1463 WeakPolarHBondContact O-CA 3.11Å; D1459-G1463 PolarHBondContact O-N 2.56Å; D1459-K1464 PolarHBondContact O-N 3.35Å
1460W68.9Low65.8Low187 Ų18783.2 Ų83.271%0.70847%0.465SS*.Hα-helixtrans-77.6-34.9-178.3-141.56.7000112.7D1458D1458-W1460 PolarHBondContact O-N 3.49Å; D1458-W1460 PolarHBondContact OD1-N 2.91Å
1461T70.1Confident63Low13 Ų1386 Ų868%0.0848%0.48CS..Hα-helixtrans-74.8-38.917235.20000112.3L1402 D1458L1402-T1461 HydrophobicContact CD1-CG2 4.23Å; D1458-T1461 PolarHBondContact N-OG1 2.69Å; D1458-T1461 VanDerWaalsContact N-OG1 3.07Å; D1458-T1461 PolarHBondContact O-N 3.33Å; D1458-T1461 PolarHBondContact O-OG1 3.44Å; D1458-T1461 VanDerWaalsContact O-OG1 3.1Å; D1458-T1461 WeakPolarHBondContact OD1-CB 3.46Å; D1458-T1461 PolarHBondContact OD1-N 3.08Å; D1458-T1461 PolarHBondContact OD1-OG1 2.74Å
1462T66.3Low60.4Low30 Ų3088.1 Ų88.118%0.18449%0.49CS..Hα-helixtrans-82.6-20.1-178.6580000113.9W1457 D1458 D1459W1457-T1462 HydrophobicContact CB-CG2 3.97Å; D1458-T1462 WeakPolarHBondContact O-CG2 3.06Å; D1458-T1462 PolarHBondContact O-N 2.78Å; D1458-T1462 PolarHBondContact O-OG1 3.41Å; D1459-T1462 WeakPolarHBondContact CA-OG1 3.46Å
1463G60.5Low57.7Low48 Ų4895.6 Ų95.650%0.49552%0.522SS..THydrogen-bonded Turntrans76.322.1-179.200000113.8D1459 C1465D1459-G1463 WeakPolarHBondContact O-CA 3.11Å; D1459-G1463 PolarHBondContact O-N 2.56Å; G1463-C1465 PolarHBondContact O-N 2.79Å
1464K49.9Very low55Low155 Ų155102.2 Ų102.267%0.67455%0.55SS*.  trans-78.8108.3170.9-90.2-177.7171.3-178.50109.1D1459 I1466D1459-K1464 PolarHBondContact O-N 3.35Å; K1464-I1466 PolarHBondContact O-N 2.87Å
1465C40.9Very low52.9Low107 Ų107101.3 Ų101.372%0.72356%0.555SS**  trans-68.9127.9171.6-720000110.5G1463G1463-C1465 PolarHBondContact O-N 2.79Å
1466I37.2Very low50.6Low128 Ų128109.5 Ų109.566%0.65658%0.578SS**  trans-74.3127.4158.7-63.4165.1000106.5K1464 G1468K1464-I1466 PolarHBondContact O-N 2.87Å; I1466-G1468 PolarHBondContact O-N 3.43Å; I1466-G1468 VanDerWaalsContact O-N 3.1Å
1467A34.1Very low48.6Very low108 Ų108114.6 Ų114.689%0.89360%0.601SS**SBendtrans-70.399.8171.300000108.6
1468G31.6Very low47.3Very low57 Ų57117.7 Ų117.759%0.58862%0.615SS**SBendtrans149.2120174.500000113.2I1466I1466-G1468 PolarHBondContact O-N 3.43Å; I1466-G1468 VanDerWaalsContact O-N 3.1Å
1469E30.5Very low46.4Very low187 Ų187117.2 Ų117.287%0.87461%0.61SS**SBendtrans76109.1164.9-57-178.1174.900118.2
1470N32Very low45.6Very low154 Ų154119.5 Ų119.582%0.82463%0.629SS**  trans89.393.5170.2-56.4-44.9000118Q1472N1470-Q1472 VanDerWaalsContact C-N 3.26Å; N1470-Q1472 PolarHBondContact O-N 2.94Å; N1470-Q1472 VanDerWaalsContact O-N 3.08Å
1471E31.3Very low45.5Very low174 Ų174111.7 Ų111.781%0.81360%0.601SS**THydrogen-bonded Turntrans-69.97.5-176.5-66.9-175.9144.400116.9
1472Q36.4Very low45.2Very low178 Ų178119.8 Ų119.883%0.83264%0.638SS**THydrogen-bonded Turntrans-91.4-0.1-172.8-78.9-171.2-7.400116.5N1470N1470-Q1472 VanDerWaalsContact C-N 3.26Å; N1470-Q1472 PolarHBondContact O-N 2.94Å; N1470-Q1472 VanDerWaalsContact O-N 3.08Å
1473F32.8Very low45.6Very low161 Ų161122.4 Ų122.471%0.70665%0.648SS**  trans-127.955.8-178.5-78-86.4000113.2G1475F1473-G1475 PolarHBondContact O-N 3.01Å; F1473-G1475 VanDerWaalsContact O-N 3.13Å
1474F31.6Very low46.2Very low177 Ų177123.5 Ų123.578%0.77665%0.652SS**  trans-68.3110.4170-92.2-84.6000111.6R1476F1474-R1476 PolarHBondContact O-N 3.04Å
1475G39.5Very low47.6Very low73 Ų73117.4 Ų117.475%0.75363%0.625SS**SBendtrans81.710.2151.200000118.7F1473 K1477F1473-G1475 PolarHBondContact O-N 3.01Å; F1473-G1475 VanDerWaalsContact O-N 3.13Å; G1475-K1477 PolarHBondContact O-N 2.97Å
1476R38.1Very low49.2Very low217 Ų217112.8 Ų112.882%0.81959%0.593SS**  trans-88.2101.7175.8-75.6-173.2176.8-175.70.6111.3F1474 K1478F1474-R1476 PolarHBondContact O-N 3.04Å; R1476-K1478 PolarHBondContact O-N 3.48Å
1477K46.5Very low50.9Low108 Ų108107.6 Ų107.647%0.4757%0.568SS.*  trans-52.1129.9161.8-75.3-174.4176.2-176.40108.7G1475 Y1479 C1487G1475-K1477 PolarHBondContact O-N 2.97Å; K1477-Y1479 PolarHBondContact O-N 3.26Å; K1477-C1487 PolarHBondContact NZ-SG 2.97Å
1478K60.3Low52.9Low81 Ų81109.5 Ų109.535%0.35256%0.557SS.*SBendtrans-51.9-31.8180-170.6179-176.8-174.80112.6E1398 R1476E1398-K1478 IonicContact OE1-NZ 2.83Å; E1398-K1478 PolarHBondContact OE1-NZ 3.2Å; E1398-K1478 IonicContact OE2-NZ 2.97Å; E1398-K1478 PolarHBondContact OE2-NZ 2.77Å; R1476-K1478 PolarHBondContact O-N 3.48Å
1479Y63.4Low55.2Low38 Ų38109.7 Ų109.715%0.14955%0.548CS..SBendtrans-117.8130.9179-60-68.1000111.1E1398 V1399 K1477 I1481E1398-Y1479 WeakPolarHBondContact CB-OH 3.36Å; E1398-Y1479 PolarHBondContact OE2-OH 3.12Å; V1399-Y1479 HydrophobicContact CG2-CD1 3.55Å; V1399-Y1479 HydrophobicContact CG2-CD2 3.87Å; V1399-Y1479 HydrophobicContact CG2-CE1 3.6Å; V1399-Y1479 HydrophobicContact CG2-CE2 3.92Å; V1399-Y1479 HydrophobicContact CG2-CG 3.7Å; K1477-Y1479 PolarHBondContact O-N 3.26Å; Y1479-I1481 PolarHBondContact O-N 2.78Å
1480P56.6Low57.6Low128 Ų128101.9 Ų101.983%0.83151%0.513SS*.SBendtrans-73.714.2177.431.1-35.1000113.3
1481I64.9Low59.9Low24 Ų24104 Ų10412%0.12352%0.515CS..  trans-101.4117.3-173.5-54.5174.2000107.9W1388 Y1396 Y1479 E1483 L1486W1388-I1481 HydrophobicContact CH2-CG2 3.99Å; Y1396-I1481 HydrophobicContact CD1-CD1 4.43Å; Y1396-I1481 HydrophobicContact CE1-CD1 4.36Å; Y1479-I1481 PolarHBondContact O-N 2.78Å; I1481-E1483 HydrophobicContact CG2-CB 4.32Å; I1481-E1483 HydrophobicContact CG2-CG 3.62Å; I1481-E1483 PolarHBondContact O-N 3.21Å; I1481-L1486 HydrophobicContact CB-CD1 4.28Å; I1481-L1486 HydrophobicContact CG2-CD1 4.42Å
1482Q65.5Low62.5Low183 Ų18397.1 Ų97.186%0.85548%0.483SS*.  trans-88.377.8178.6-70.7-174.2-8.300110.7
1483E73.4Confident64.8Low85 Ų8598 Ų9840%0.39748%0.484SS..  trans-119.3137.9177.8-72.7-82.4-176.200111.2W1388 I1481 F1485 L1486W1388-E1483 HydrophobicContact CH2-CG 3.81Å; I1481-E1483 HydrophobicContact CG2-CB 4.32Å; I1481-E1483 HydrophobicContact CG2-CG 3.62Å; I1481-E1483 PolarHBondContact O-N 3.21Å; E1483-F1485 VanDerWaalsContact C-N 3.31Å; E1483-F1485 HydrophobicContact CB-CD1 3.88Å; E1483-F1485 HydrophobicContact CB-CE1 3.68Å; E1483-F1485 HydrophobicContact CG-CE1 4.27Å; E1483-F1485 PolarHBondContact O-N 3.28Å; E1483-L1486 HydrophobicContact CB-CD1 4.29Å; E1483-L1486 PolarHBondContact O-N 3.44Å; E1483-L1486 VanDerWaalsContact O-N 3.12Å
1484A72.9Confident67.1Low70 Ų7093.6 Ų93.658%0.57946%0.463SS*.Hα-helixtrans-60.7-40.6-170.400000112L1486 C1487 F1488A1484-L1486 PolarHBondContact O-N 2.85Å; A1484-C1487 PolarHBondContact O-N 3.06Å; A1484-C1487 VanDerWaalsContact O-N 3.15Å; A1484-F1488 PolarHBondContact O-N 3.28Å
1485F80.1Confident69.6Low28 Ų2888 Ų8812%0.12344%0.443CS..Hα-helixtrans-67.8-18.3-179.178.7-91000113.8W1388 V1399 L1402 H1403 T1406 W1457 E1483W1388-F1485 HydrophobicContact CE3-CE1 4.38Å; W1388-F1485 AromaticContact CE3-CZ 3.9Å; W1388-F1485 HydrophobicContact CE3-CZ 3.9Å; W1388-F1485 HydrophobicContact CH2-CE1 4.2Å; W1388-F1485 HydrophobicContact CH2-CZ 4.34Å; W1388-F1485 AromaticContact CZ3-CE1 3.81Å; W1388-F1485 HydrophobicContact CZ3-CE1 3.81Å; W1388-F1485 AromaticContact CZ3-CZ 3.51Å; W1388-F1485 HydrophobicContact CZ3-CZ 3.51Å; V1399-F1485 HydrophobicContact CG1-CZ 4.42Å; L1402-F1485 HydrophobicContact CB-CE2 4.23Å; H1403-F1485 HydrophobicContact CB-CE2 3.74Å; H1403-F1485 HydrophobicContact CB-CZ 3.85Å; H1403-F1485 AromaticContact ND1-CE1 3.84Å; H1403-F1485 AromaticContact ND1-CZ 3.82Å; T1406-F1485 HydrophobicContact CG2-CB 4.14Å; W1457-F1485 PolarHBondContact NE1-O 2.73Å; E1483-F1485 VanDerWaalsContact C-N 3.31Å; E1483-F1485 HydrophobicContact CB-CD1 3.88Å; E1483-F1485 HydrophobicContact CB-CE1 3.68Å; E1483-F1485 HydrophobicContact CG-CE1 4.27Å; E1483-F1485 PolarHBondContact O-N 3.28Å
1486L75.2Confident71.9Confident9 Ų988.7 Ų88.75%0.04743%0.429CS..Hα-helixtrans-80.1-32174.1-76.3168.9000111.8V1399 L1402 I1481 E1483 A1484V1399-L1486 HydrophobicContact CG1-CD1 4.24Å; V1399-L1486 HydrophobicContact CG1-CD2 4.29Å; L1402-L1486 HydrophobicContact CB-CD2 4.39Å; L1402-L1486 HydrophobicContact CD1-CD2 3.71Å; I1481-L1486 HydrophobicContact CB-CD1 4.28Å; I1481-L1486 HydrophobicContact CG2-CD1 4.42Å; E1483-L1486 HydrophobicContact CB-CD1 4.29Å; E1483-L1486 PolarHBondContact O-N 3.44Å; E1483-L1486 VanDerWaalsContact O-N 3.12Å; A1484-L1486 PolarHBondContact O-N 2.85Å
1487C71.4Confident74.2Confident19 Ų1978.7 Ų78.713%0.12839%0.391CS..Hα-helixtrans-94.2-26.6-174.6-56.70000112.6K1477 A1484K1477-C1487 PolarHBondContact NZ-SG 2.97Å; A1484-C1487 PolarHBondContact O-N 3.06Å; A1484-C1487 VanDerWaalsContact O-N 3.15Å
1488F77.1Confident75.7Confident149 Ų14981.2 Ų81.265%0.65441%0.405SS*.SBendtrans-132.1125.4-173.7-55.3-74.2000111.1A1484A1484-F1488 PolarHBondContact O-N 3.28Å
1489P80.3Confident76.4Confident61 Ų6178.7 Ų78.740%0.39640%0.397SS..  trans-63.2145.3171.821.2-28.8000111.8L1453 W1457L1453-P1489 HydrophobicContact CD2-CB 3.72Å; W1457-P1489 HydrophobicContact CB-CB 4.45Å; W1457-P1489 HydrophobicContact CD2-CB 3.72Å; W1457-P1489 HydrophobicContact CE3-CB 3.75Å; W1457-P1489 HydrophobicContact CG-CB 4.03Å; W1457-P1489 HydrophobicContact CZ3-CB 4.35Å
1490P81.1Confident77Confident22 Ų2283.9 Ų83.914%0.14344%0.437CS..  trans-63.9135177.425.5-32.6000111.1T1406 I1409 W1457 M1492T1406-P1490 HydrophobicContact CG2-CB 4.21Å; T1406-P1490 HydrophobicContact CG2-CG 4.08Å; I1409-P1490 HydrophobicContact CB-CG 4.16Å; I1409-P1490 HydrophobicContact CD1-CG 3.92Å; I1409-P1490 HydrophobicContact CG2-CB 4.44Å; I1409-P1490 HydrophobicContact CG2-CG 3.97Å; W1457-P1490 HydrophobicContact CH2-CG 3.78Å; W1457-P1490 HydrophobicContact CZ2-CG 4.27Å; W1457-P1490 HydrophobicContact CZ3-CG 4.36Å; P1490-M1492 PolarHBondContact O-N 3.3Å
1491K80Confident77.7Confident198 Ų19881.3 Ų81.386%0.86142%0.415SS*.  trans-71.8110177.8-83.6-175175.4179.40110.8K1493K1491-K1493 PolarHBondContact O-N 2.72Å
1492M86.3Confident78Confident30 Ų3083.5 Ų83.515%0.14842%0.422CS..  trans-75.4106.1167.3-68.4-172.192.400110.3I1409 Q1413 L1446 Q1449 K1450 L1453 P1490 T1495I1409-M1492 HydrophobicContact CG2-CE 4.41Å; I1409-M1492 HydrophobicContact CG2-CG 3.8Å; I1409-M1492 HydrophobicContact CG2-SD 4.31Å; Q1413-M1492 VanDerWaalsContact NE2-CE 3.31Å; L1446-M1492 HydrophobicContact CB-CE 4.41Å; L1446-M1492 HydrophobicContact CD2-CE 3.67Å; Q1449-M1492 HydrophobicContact CB-CE 3.58Å; Q1449-M1492 HydrophobicContact CB-SD 4.04Å; K1450-M1492 HydrophobicContact CB-SD 4.09Å; L1453-M1492 HydrophobicContact CD1-SD 4.27Å; P1490-M1492 PolarHBondContact O-N 3.3Å; M1492-T1495 HydrophobicContact CB-CG2 4.47Å
1493K83.1Confident78.6Confident197 Ų19778.6 Ų78.686%0.85740%0.401SS*.SBendtrans-73.8-34.5176.4-70.3-176.7-179.6178.10112.1K1491K1491-K1493 PolarHBondContact O-N 2.72Å
1494R82.3Confident78.9Confident69 Ų6978.2 Ų78.226%0.2640%0.401SS..  trans-114.6128174.2-75.8-171.8-177.5172.512.1110.3Q1413 A1416 N1417 M1420Q1413-R1494 PolarHBondContact NE2-O 2.92Å; A1416-R1494 PolarHBondContact O-NH1 2.86Å; N1417-R1494 PolarHBondContact OD1-NE 2.82Å; N1417-R1494 PolarHBondContact OD1-NH1 3.25Å; N1417-R1494 PolarHBondContact OD1-NH2 3.09Å; M1420-R1494 VanDerWaalsContact CB-NH1 3.35Å; M1420-R1494 VanDerWaalsContact CE-CZ 3.42Å; M1420-R1494 VanDerWaalsContact CE-NH1 3.31Å
1495T83Confident79.3Confident59 Ų5978.7 Ų78.736%0.36239%0.391SS..SBendtrans-110.8-13.4174.257.60000112.7K1450 M1492K1450-T1495 HydrophobicContact CD-CG2 3.78Å; M1492-T1495 HydrophobicContact CB-CG2 4.47Å
1496I89.1Confident79.2Confident88 Ų8881.6 Ų81.645%0.45141%0.407SS..  trans-153.6150.3175.3-160.1166.2000109E1498I1496-E1498 HydrophobicContact CG1-CG 4.46Å; I1496-E1498 HydrophobicContact CG2-CG 4.26Å
1497I85.6Confident79.5Confident6 Ų686.2 Ų86.23%0.03143%0.429CS..  trans-105.1117.7168.2-56.6-179.5000107A1416 V1419 M1420 L1423 T1442 N1443 L1446A1416-I1497 HydrophobicContact CB-CD1 3.81Å; A1416-I1497 HydrophobicContact CB-CG1 4.28Å; A1416-I1497 WeakPolarHBondContact O-CD1 3.39Å; V1419-I1497 HydrophobicContact CB-CD1 4.46Å; V1419-I1497 HydrophobicContact CG1-CD1 4.4Å; M1420-I1497 HydrophobicContact CG-CG2 4.15Å; L1423-I1497 HydrophobicContact CD1-CG2 4.31Å; T1442-I1497 HydrophobicContact CG2-CD1 3.41Å; T1442-I1497 VanDerWaalsContact CG2-CD1 3.41Å; T1442-I1497 HydrophobicContact CG2-CG1 4.39Å; N1443-I1497 PolarHBondContact ND2-O 3.05Å; N1443-I1497 PolarHBondContact OD1-N 3.18Å; L1446-I1497 HydrophobicContact CD1-CG1 4.28Å
1498E77.4Confident80Confident161 Ų16190.7 Ų90.775%0.75245%0.449SS*.  trans-118.4129.4170.2-70.7179.5176.300107.9I1496I1496-E1498 HydrophobicContact CG1-CG 4.46Å; I1496-E1498 HydrophobicContact CG2-CG 4.26Å
1499C76.5Confident80.2Confident29 Ų2986.5 Ų86.520%0.19644%0.435CS..  trans-127.3121.9177.1-1780000107.9L1423 I1439 M1501 Y1502L1423-C1499 HydrophobicContact CD1-CB 3.91Å; I1439-C1499 HydrophobicContact CD1-CB 4.43Å; C1499-M1501 PolarHBondContact O-N 3.44Å; C1499-Y1502 HydrophobicContact CB-CD2 4.16Å; C1499-Y1502 PolarHBondContact O-N 3.13Å
1500C75.4Confident80.2Confident146 Ų14688.5 Ų88.599%0.98644%0.438SS*.THydrogen-bonded Turntrans-60.3-17-177.4-56.40000113.8
1501M70.7Confident80.1Confident74 Ų7494 Ų9437%0.36546%0.462SS..THydrogen-bonded Turntrans-85.7-5.4178.3-59.3-143.2-98.600113.9T1424 W1427 C1499T1424-M1501 HydrophobicContact CG2-CE 3.66Å; W1427-M1501 HydrophobicContact CB-CE 4.16Å; W1427-M1501 HydrophobicContact CB-SD 4.4Å; W1427-M1501 HydrophobicContact CD2-CE 4Å; W1427-M1501 HydrophobicContact CD2-SD 3.41Å; W1427-M1501 VanDerWaalsContact CE2-SD 3.53Å; W1427-M1501 HydrophobicContact CE3-CE 4.08Å; W1427-M1501 HydrophobicContact CE3-SD 3.83Å; W1427-M1501 HydrophobicContact CG-CB 4.38Å; W1427-M1501 HydrophobicContact CG-CE 4.03Å; W1427-M1501 HydrophobicContact CG-SD 3.66Å; W1427-M1501 HydrophobicContact CH2-SD 4.42Å; W1427-M1501 HydrophobicContact CZ2-SD 4.06Å; W1427-M1501 HydrophobicContact CZ3-SD 4.31Å; C1499-M1501 PolarHBondContact O-N 3.44Å
1502Y72.2Confident80.1Confident71 Ų7184.5 Ų84.528%0.27843%0.426SS..  trans-125.80-169.5-82.9-72.3000116.4L1423 F1432 R1436 I1439 C1499L1423-Y1502 HydrophobicContact CB-CE2 4.15Å; L1423-Y1502 HydrophobicContact CD2-CD2 4Å; L1423-Y1502 HydrophobicContact CD2-CE2 3.63Å; L1423-Y1502 HydrophobicContact CG-CE2 4.39Å; F1432-Y1502 WeakPolarHBondContact O-CE1 3.5Å; R1436-Y1502 HydrophobicContact CG-CD1 3.53Å; R1436-Y1502 HydrophobicContact CG-CE1 4Å; I1439-Y1502 HydrophobicContact CD1-CD1 4.28Å; I1439-Y1502 HydrophobicContact CD1-CD2 3.78Å; I1439-Y1502 HydrophobicContact CD1-CG 3.58Å; C1499-Y1502 HydrophobicContact CB-CD2 4.16Å; C1499-Y1502 PolarHBondContact O-N 3.13Å

Retrieved 1,502 of 1,502 residues in 431 ms (Link to these results)

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