A0A077Z1D0_TRITR Loading...

ATP binding cassette sub family A

AlphaFold DB , UniProt , Accession A0A077Z1D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,707 aa.

>A0A077Z1D0_TRITR|A0A077Z1D0
MTTFTQLKLLIWKNYLVQRRSVLWSLLELGLPLLFVCVLLTLRQNVQSSHKPYRDYEGFEITGTRKDFLETLDGDVIFTPCFNPFRIYYTPPTMETNQIMKDVGNALLVPVHAFPNEIEMQMNIMKEMDTLDPCSCDVYGGVVFEDGFVNKLNSVGSNLRYKIRLSNTPRNMHPHEGGFHIDQASVFSVGLGWKTGSLFAFPPQNGPRESNYSDGGKPGYWREGFLILQHAVDKAIIRMLTNSTELDNYKVSLRRFAYPPYNDNGFTTVIQQHLPVVLLLSYAFSVVYISRSIVADKEMRLREFMRVMGLTTFNHALAHFLINLVKLTIVSAIITLFLCAEINGKRILDKSDPTVIFFFLFVYSAMAICYCFAISSFFNSGNVVAGCAGLIWCCLYWPYFFIQPRYSSVYRSTKLITCLLANSAMSFGVQLIGIFEGQNVGLQWYNLFHQGTMYNNLSMIEIIAMLFVDSIICILLAWYVETVRPLLVSGQSLLKIFLPIFNRKLFDRNRSSRILDGLPLPAENGHNFEHISHPVRVTVSMSHVYKVFGDDRTKNVALRDFSLDLYYGQITALLGHNGAGKSTTMSILTGGLLLPNVGSVAVNGVDLLCEFGRVSRFIGYCPQYNPLFNELTVEEHLKFYCLLKQRPLIPTEVERMLQFLNLSSKRHWAACKLSGGMKRKLCVAIALIGGSEIVLLDEPTTGMDPQARHDAWKLLLEEKQYRTILLTTHFMEEADLLGDRIAVLSNGSLQCCGTSFFLKRQFGDGYRLRVIFNHVASSSMSTKVERLLAQIKAHVPNASLGSSSGIEALFVLPSIKGPDLQSLFLFLEDKQDQLDIDTFGLSIITMEEVFLRVTPSSVTSVQPTVPSLRNVCTGVQFTATEKVTGFRLCMQQFYAMIVKRALDASRNRLLIFVQVFVPVLFVVVAILVNSTLPDNKRTPPLTLSVDSYFNTIVGLYWDNESTAIGHHYASQFSSAHVVDKLSSDNFTSYVLDRVAKLDQGVFDQMCIIAAAMHAVNENNTMMTGYFNNQPLHALPASLNALDNAILRLLSNSSGIEARSITTINHPLPPTELDNLVNWWETGITEFNIAFNLVFGFSFMVSSFLVFIVRERQCGAKHLQFLSNMSLGTFWTANFLWDFFAYLLTAIAIILVFFMFHVDVLVGDSRWLHILLLLLLYGWATIPMMYFAAVFFSSAANGYVKMSIFNLLSGLLTLVTVTILLILDLVEVQKTLVWVFMAFFPNFCLGQAVSAYYFNFFIASTCDPLMAFCDFTPGAFCCQQDTFTNDALRWSRPGIGRYLFFLSMHGIVYSLLLLLTETEYPYRTANVLHNVLRSCRQHGINGWLRLKRSFDGGTQQSMNVLAESDVVAQVNDSPSKDAVMIGVKELCKRYGNFMAVKNVSFQVAKGECFGLLGINGAGKSTTFQMLCGCSRISGGNVFIGGSSIQRQWSRTKAMLGYCPQFDALFDNLTVVETLTLYARLHGISPREIKAAVTHTMEMVNLVKHADKKVAVLRRGFLALLCFAKIISICYFSGGNKRKLSLAIALIGSPPVLLLDEPTSGVDPISRRLIWQLLERVRCSGVSILLTSHSMEECEALCARLAVLVHGEVKCIGSPQQLKAKYGKGYLLIAKFVSEEYMPGFMRSIEETFPNSTIQEIHGRQMHCLIPFQASTWSRLFEVLETMVKPHGLVDYMLSQPSLEQTFMTCVGV
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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
1M49.3Very low79.9Confident203 Ų20376.8 Ų76.8100%139%0.392SS*.  0-51.60-76-173.5173.200113.3T3 F4 T5M1-T3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 3.48Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-N 3.05Å; M1-T5 PolarHBondContact O-OG1 3.46Å
2T65.7Low80.8Confident73 Ų7378 Ų7845%0.44839%0.388SS..Hα-helixtrans-55.6-41.7-177.550.60000114.7F4 T5 Q6T2-F4 PolarHBondContact O-N 3.15Å; T2-T5 PolarHBondContact O-N 3.28Å; T2-Q6 PolarHBondContact O-N 3.12Å
3T73.8Confident81.5Confident74 Ų7472.2 Ų72.245%0.45436%0.359SS..Hα-helixtrans-63.1-39.917848.60000112.7M1 Q6 L7 N314M1-T3 PolarHBondContact O-N 3.28Å; T3-Q6 PolarHBondContact O-N 2.84Å; T3-L7 PolarHBondContact O-N 3.06Å; T3-N314 PolarHBondContact O-ND2 2.94Å
4F80.4Confident81.8Confident144 Ų14468 Ų6863%0.63234%0.339SS*.Hα-helixtrans-69.9-39.8-179.8-173.7-101.4000112.2M1 T2 Q6 L7 K8M1-F4 PolarHBondContact O-N 3.48Å; M1-F4 VanDerWaalsContact O-N 3.16Å; T2-F4 PolarHBondContact O-N 3.15Å; F4-Q6 VanDerWaalsContact C-N 3.35Å; F4-Q6 PolarHBondContact O-N 3.2Å; F4-L7 WeakPolarHBondContact O-CB 3.37Å; F4-L7 PolarHBondContact O-N 3.04Å; F4-K8 PolarHBondContact O-N 3.36Å
5T83.2Confident82.1Confident95 Ų9571.9 Ų71.958%0.58335%0.349SS*.Hα-helixtrans-61.9-42.9175.9-45.70000111.6M1 T2 K8 L9M1-T5 PolarHBondContact O-N 3.05Å; M1-T5 PolarHBondContact O-OG1 3.46Å; T2-T5 PolarHBondContact O-N 3.28Å; T5-K8 PolarHBondContact O-N 2.99Å; T5-L9 WeakPolarHBondContact O-CB 2.98Å; T5-L9 PolarHBondContact O-N 3Å
6Q84.8Confident82.4Confident10 Ų1068.3 Ų68.35%0.04733%0.332CS..Hα-helixtrans-62.8-41.5174.5-73.1-176.1-2100112.1T2 T3 F4 L9 L10 G309 L310 N314T2-Q6 PolarHBondContact O-N 3.12Å; T3-Q6 PolarHBondContact O-N 2.84Å; F4-Q6 VanDerWaalsContact C-N 3.35Å; F4-Q6 PolarHBondContact O-N 3.2Å; Q6-L9 PolarHBondContact O-N 3.05Å; Q6-L10 WeakPolarHBondContact O-CG 3.3Å; Q6-L10 PolarHBondContact O-N 3.38Å; Q6-G309 PolarHBondContact NE2-O 3.26Å; Q6-L310 HydrophobicContact CB-CD1 4.41Å; Q6-N314 PolarHBondContact OE1-ND2 2.72Å
7L87.2Confident82.3Confident20 Ų2066 Ų6611%0.10532%0.323CS..Hα-helixtrans-61.4-47.9176.8-177.865.2000111.4T3 F4 L9 L10 I11 L317 A318 L321T3-L7 PolarHBondContact O-N 3.06Å; F4-L7 WeakPolarHBondContact O-CB 3.37Å; F4-L7 PolarHBondContact O-N 3.04Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.86Å; L7-L10 PolarHBondContact O-N 2.96Å; L7-I11 HydrophobicContact CD1-CD1 4.3Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.35Å; L7-L317 HydrophobicContact CD1-CB 4.14Å; L7-L317 HydrophobicContact CD1-CD2 4Å; L7-L317 HydrophobicContact CD1-CG 3.93Å; L7-L317 HydrophobicContact CD2-CD2 3.79Å; L7-L317 HydrophobicContact CD2-CG 4.41Å; L7-A318 HydrophobicContact CD1-CB 3.97Å; L7-L321 HydrophobicContact CD1-CD1 4.35Å; L7-L321 HydrophobicContact CD2-CD1 4.25Å
8K89.1Confident82.1Confident148 Ų14864.6 Ų64.664%0.64332%0.316SS*.Hα-helixtrans-58.2-42.3176.8-174176.8179.61780111.9F4 T5 I11 W12F4-K8 PolarHBondContact O-N 3.36Å; T5-K8 PolarHBondContact O-N 2.99Å; K8-I11 PolarHBondContact O-N 3.18Å; K8-W12 WeakPolarHBondContact O-CB 3.29Å; K8-W12 PolarHBondContact O-N 3.37Å
9L88.7Confident82Confident16 Ų1669.9 Ų69.98%0.08433%0.332CS..Hα-helixtrans-64.1-42177.3-176.967.3000112.4T5 Q6 L7 W12 K13 F639 L642 L643T5-L9 WeakPolarHBondContact O-CB 2.98Å; T5-L9 PolarHBondContact O-N 3Å; Q6-L9 PolarHBondContact O-N 3.05Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.86Å; L9-W12 HydrophobicContact CD1-CE3 3.95Å; L9-W12 HydrophobicContact CD1-CZ3 4.3Å; L9-W12 PolarHBondContact O-N 2.85Å; L9-K13 PolarHBondContact O-N 2.87Å; L9-F639 HydrophobicContact CD1-CD2 3.99Å; L9-F639 HydrophobicContact CD2-CD2 4.08Å; L9-F639 HydrophobicContact CD2-CE2 4.11Å; L9-F639 HydrophobicContact CG-CD2 3.77Å; L9-F639 HydrophobicContact CG-CE2 3.84Å; L9-L642 HydrophobicContact CD1-CB 3.9Å; L9-L642 HydrophobicContact CD1-CD1 3.69Å; L9-L642 HydrophobicContact CD1-CG 4.46Å; L9-L642 HydrophobicContact CD2-CB 3.71Å; L9-L642 HydrophobicContact CG-CB 4.45Å; L9-L643 HydrophobicContact CD2-CB 4.18Å; L9-L643 HydrophobicContact CD2-CD1 4.45Å
10L88Confident82Confident1 Ų171.4 Ų71.41%0.00533%0.334CS..Hα-helixtrans-67.6-39177-75.2173000112.6Q6 L7 W12 K13 N14 M305 L310 N314 A318 F639Q6-L10 WeakPolarHBondContact O-CG 3.3Å; Q6-L10 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 2.96Å; L10-W12 VanDerWaalsContact C-N 3.34Å; L10-K13 PolarHBondContact O-N 3.1Å; L10-N14 WeakPolarHBondContact O-CB 3.47Å; L10-N14 VanDerWaalsContact O-CG 3.28Å; L10-N14 PolarHBondContact O-N 3.39Å; L10-M305 HydrophobicContact CD2-SD 4.17Å; L10-L310 HydrophobicContact CD1-CD1 3.61Å; L10-L310 HydrophobicContact CD1-CD2 4.17Å; L10-L310 HydrophobicContact CD1-CG 4.46Å; L10-L310 HydrophobicContact CD2-CD1 4.36Å; L10-L310 HydrophobicContact CD2-CD2 4.07Å; L10-L310 HydrophobicContact CG-CD1 4.15Å; L10-N314 HydrophobicContact CD1-CB 4.16Å; L10-N314 WeakPolarHBondContact CD1-O 3.32Å; L10-A318 HydrophobicContact CB-CB 3.49Å; L10-A318 VanDerWaalsContact CB-CB 3.49Å; L10-A318 HydrophobicContact CD1-CB 3.99Å; L10-A318 HydrophobicContact CG-CB 4.4Å; L10-F639 HydrophobicContact CD2-CE2 4.35Å; L10-F639 HydrophobicContact CD2-CZ 4.15Å
11I88.4Confident81.6Confident61 Ų6168.9 Ų68.931%0.31333%0.325SS..Hα-helixtrans-62-45.2174.3-68.6167.5000109.8L7 K8 K13 N14 Y15 A318 L321L7-I11 HydrophobicContact CD1-CD1 4.3Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CG1 3.3Å; L7-I11 PolarHBondContact O-N 3.35Å; K8-I11 PolarHBondContact O-N 3.18Å; I11-K13 PolarHBondContact O-N 2.95Å; I11-N14 PolarHBondContact O-N 2.95Å; I11-Y15 VanDerWaalsContact O-CB 3.32Å; I11-Y15 WeakPolarHBondContact O-CB 3.23Å; I11-Y15 PolarHBondContact O-N 3.37Å; I11-A318 HydrophobicContact CG1-CB 4.36Å; I11-L321 HydrophobicContact CD1-CD1 4.11Å
12W91.2Very high82.8Confident91 Ų9163.2 Ų63.235%0.34530%0.301SS..Hα-helixtrans-58.1-45.9174.5172.977.3000112.3K8 L9 L10 Y15 L16 E635 F639K8-W12 WeakPolarHBondContact O-CB 3.29Å; K8-W12 PolarHBondContact O-N 3.37Å; L9-W12 HydrophobicContact CD1-CE3 3.95Å; L9-W12 HydrophobicContact CD1-CZ3 4.3Å; L9-W12 PolarHBondContact O-N 2.85Å; L10-W12 VanDerWaalsContact C-N 3.34Å; W12-Y15 PolarHBondContact O-N 3.36Å; W12-L16 HydrophobicContact CD2-CD1 3.99Å; W12-L16 VanDerWaalsContact CE2-CD1 3.46Å; W12-L16 HydrophobicContact CE3-CD1 4.33Å; W12-L16 HydrophobicContact CH2-CD1 3.77Å; W12-L16 HydrophobicContact CZ2-CD1 3.36Å; W12-L16 HydrophobicContact CZ3-CD1 4.23Å; W12-L16 WeakPolarHBondContact O-CG 3.47Å; W12-L16 PolarHBondContact O-N 3.1Å; W12-E635 HydrophobicContact CH2-CB 4.22Å; W12-E635 HydrophobicContact CH2-CG 4.22Å; W12-E635 HydrophobicContact CZ2-CG 4.41Å; W12-F639 HydrophobicContact CZ3-CB 4.19Å; W12-F639 HydrophobicContact CZ3-CD2 4.34Å
13K89.9Confident83Confident2 Ų265.2 Ų65.21%0.00931%0.308CS..Hα-helixtrans-58.8-50.6175.3179.3-95.1-70177.40111.7L9 L10 I11 Y15 L16 V17 F628 L631 F639L9-K13 PolarHBondContact O-N 2.87Å; L10-K13 PolarHBondContact O-N 3.1Å; I11-K13 PolarHBondContact O-N 2.95Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.37Å; K13-L16 PolarHBondContact O-N 3.17Å; K13-V17 HydrophobicContact CD-CG2 4.35Å; K13-V17 WeakPolarHBondContact O-CG2 3.47Å; K13-V17 PolarHBondContact O-N 3.37Å; K13-V17 VanDerWaalsContact O-N 3.09Å; K13-F628 HydrophobicContact CD-CD1 4.26Å; K13-F628 HydrophobicContact CD-CE1 3.91Å; K13-F628 HydrophobicContact CD-CZ 4.1Å; K13-L631 HydrophobicContact CG-CD1 4Å; K13-F639 HydrophobicContact CB-CD2 3.98Å; K13-F639 HydrophobicContact CB-CE2 3.7Å; K13-F639 HydrophobicContact CG-CD2 4.24Å; K13-F639 HydrophobicContact CG-CE2 3.95Å; K13-F639 HydrophobicContact CG-CZ 4.35Å
14N85.8Confident82.8Confident14 Ų1463.5 Ų63.58%0.07529%0.294CS..Hα-helixtrans-63-38.7-178.4-72.2-6.3000111.2L10 I11 V17 Q18 A318 I322L10-N14 WeakPolarHBondContact O-CB 3.47Å; L10-N14 VanDerWaalsContact O-CG 3.28Å; L10-N14 PolarHBondContact O-N 3.39Å; I11-N14 PolarHBondContact O-N 2.95Å; N14-V17 PolarHBondContact O-N 3.44Å; N14-Q18 WeakPolarHBondContact O-CB 3.49Å; N14-Q18 PolarHBondContact O-N 3.28Å; N14-A318 PolarHBondContact ND2-O 3.46Å; N14-I322 HydrophobicContact CB-CB 4.47Å; N14-I322 HydrophobicContact CB-CD1 3.43Å; N14-I322 VanDerWaalsContact CB-CD1 3.43Å; N14-I322 HydrophobicContact CB-CG2 4.14Å
15Y86.5Confident82.4Confident127 Ų12757.5 Ų57.550%0.49827%0.27SS..Hα-helixtrans-62.5-43.6175171.9-99.3000112.4I11 W12 K13 Q18 R19 I322I11-Y15 VanDerWaalsContact O-CB 3.32Å; I11-Y15 WeakPolarHBondContact O-CB 3.23Å; I11-Y15 PolarHBondContact O-N 3.37Å; W12-Y15 PolarHBondContact O-N 3.36Å; K13-Y15 VanDerWaalsContact C-N 3.3Å; K13-Y15 PolarHBondContact O-N 3.37Å; Y15-Q18 PolarHBondContact O-N 3.35Å; Y15-R19 WeakPolarHBondContact O-CB 3.28Å; Y15-R19 PolarHBondContact O-N 2.88Å; Y15-I322 VanDerWaalsContact N-CD1 3.33Å
16L85.9Confident82Confident13 Ų1358.3 Ų58.37%0.06827%0.27CS..Hα-helixtrans-63.2-44.1177-75.5178.7000112.8W12 K13 Q18 R19 R20 L631 E635W12-L16 HydrophobicContact CD2-CD1 3.99Å; W12-L16 VanDerWaalsContact CE2-CD1 3.46Å; W12-L16 HydrophobicContact CE3-CD1 4.33Å; W12-L16 HydrophobicContact CH2-CD1 3.77Å; W12-L16 HydrophobicContact CZ2-CD1 3.36Å; W12-L16 HydrophobicContact CZ3-CD1 4.23Å; W12-L16 WeakPolarHBondContact O-CG 3.47Å; W12-L16 PolarHBondContact O-N 3.1Å; K13-L16 PolarHBondContact O-N 3.17Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 2.93Å; L16-R19 PolarHBondContact O-N 3.33Å; L16-R20 PolarHBondContact O-N 3.44Å; L16-L631 HydrophobicContact CB-CD2 3.81Å; L16-L631 HydrophobicContact CD1-CD2 3.76Å; L16-L631 HydrophobicContact CG-CD2 4.48Å; L16-E635 HydrophobicContact CD1-CG 4.21Å
17V81.8Confident81.3Confident30 Ų3061.6 Ų61.618%0.18229%0.287CS..Hα-helixtrans-57.5-47.5175.91720000109.6K13 N14 R20 S21 E630K13-V17 HydrophobicContact CD-CG2 4.35Å; K13-V17 WeakPolarHBondContact O-CG2 3.47Å; K13-V17 PolarHBondContact O-N 3.37Å; K13-V17 VanDerWaalsContact O-N 3.09Å; N14-V17 PolarHBondContact O-N 3.44Å; V17-R20 PolarHBondContact O-N 3.28Å; V17-S21 PolarHBondContact O-N 3.41Å; V17-S21 PolarHBondContact O-OG 3.07Å; V17-E630 HydrophobicContact CG1-CB 4.42Å; V17-E630 HydrophobicContact CG1-CG 4.1Å; V17-E630 HydrophobicContact CG2-CB 4.37Å
18Q77.8Confident80.6Confident41 Ų4160.8 Ų60.819%0.19228%0.283CS..Hα-helixtrans-64.8-44.1179.1-174-174.3-10.100113.2N14 Y15 L16 R20 S21 S25N14-Q18 WeakPolarHBondContact O-CB 3.49Å; N14-Q18 PolarHBondContact O-N 3.28Å; Y15-Q18 PolarHBondContact O-N 3.35Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 2.93Å; Q18-R20 PolarHBondContact O-N 3.08Å; Q18-R20 VanDerWaalsContact O-N 3.17Å; Q18-S21 WeakPolarHBondContact CA-OG 3.38Å; Q18-S21 CarbonylContact O-C 3.58Å; Q18-S21 PolarHBondContact O-N 3.44Å; Q18-S21 VanDerWaalsContact O-N 3.07Å; Q18-S21 PolarHBondContact O-OG 3.48Å; Q18-S25 WeakPolarHBondContact CG-OG 3Å
19R81.2Confident79.9Confident166 Ų16656.7 Ų56.763%0.62627%0.267SS*.Hα-helixtrans-58.5-28.9178.6-178178.3173.8-169.30.2111.8Y15 L16 V22Y15-R19 WeakPolarHBondContact O-CB 3.28Å; Y15-R19 PolarHBondContact O-N 2.88Å; L16-R19 PolarHBondContact O-N 3.33Å; R19-V22 WeakPolarHBondContact O-CG2 3.41Å
20R81.6Confident79.2Confident98 Ų9857.3 Ų57.337%0.3728%0.278SS..Hα-helixtrans-89.1-19.3178.7-69.8-178.3176148.514.9113.6L16 V17 Q18 V22 E630 L631 E635L16-R20 PolarHBondContact O-N 3.44Å; V17-R20 PolarHBondContact O-N 3.28Å; Q18-R20 PolarHBondContact O-N 3.08Å; Q18-R20 VanDerWaalsContact O-N 3.17Å; R20-V22 VanDerWaalsContact C-N 3.29Å; R20-V22 PolarHBondContact O-N 2.73Å; R20-E630 HydrophobicContact CB-CB 4.37Å; R20-E630 WeakPolarHBondContact CD-O 3.32Å; R20-E630 PolarHBondContact NH1-O 3.34Å; R20-L631 VanDerWaalsContact NH1-CA 3.32Å; R20-E635 IonicContact CZ-OE1 3.63Å; R20-E635 IonicContact CZ-OE2 2.69Å; R20-E635 VanDerWaalsContact CZ-OE2 3.26Å; R20-E635 IonicContact NH1-OE1 2.82Å; R20-E635 IonicContact NH1-OE2 3.63Å; R20-E635 PolarHBondContact NH1-OE2 3.33Å; R20-E635 IonicContact NH2-OE1 2.8Å; R20-E635 PolarHBondContact NH2-OE1 3.12Å; R20-E635 IonicContact NH2-OE2 3.55Å; R20-E635 PolarHBondContact NH2-OE2 3.45Å
21S74Confident78.5Confident20 Ų2058.3 Ų58.314%0.1428%0.283CS..  trans-92.248.5170.665.20000111.8V17 Q18 L23 W24 S25V17-S21 PolarHBondContact O-N 3.41Å; V17-S21 PolarHBondContact O-OG 3.07Å; Q18-S21 WeakPolarHBondContact CA-OG 3.38Å; Q18-S21 CarbonylContact O-C 3.58Å; Q18-S21 PolarHBondContact O-N 3.44Å; Q18-S21 VanDerWaalsContact O-N 3.07Å; Q18-S21 PolarHBondContact O-OG 3.48Å; S21-L23 VanDerWaalsContact C-N 3.25Å; S21-L23 PolarHBondContact O-N 3.05Å; S21-W24 WeakPolarHBondContact O-CB 3.46Å; S21-W24 PolarHBondContact O-N 3.49Å; S21-S25 PolarHBondContact O-N 3.36Å
22V73.6Confident77.9Confident83 Ų8355.5 Ų55.550%0.50327%0.269SS..Hα-helixtrans-52.5-42.6-174.2-177.30000112.1R19 R20 W24 S25 L26R19-V22 WeakPolarHBondContact O-CG2 3.41Å; R20-V22 VanDerWaalsContact C-N 3.29Å; R20-V22 PolarHBondContact O-N 2.73Å; V22-W24 VanDerWaalsContact C-N 3.27Å; V22-W24 PolarHBondContact O-N 2.76Å; V22-S25 PolarHBondContact O-N 3.41Å; V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 3.96Å; V22-L26 WeakPolarHBondContact O-CB 3.37Å; V22-L26 VanDerWaalsContact O-CG 3.32Å; V22-L26 WeakPolarHBondContact O-CG 3.34Å; V22-L26 PolarHBondContact O-N 2.94Å
23L69.7Low77.2Confident115 Ų11554 Ų5460%0.60227%0.267SS*.Hα-helixtrans-60.7-35.3-179.9-162.3112.1000112.7S21 L27S21-L23 VanDerWaalsContact C-N 3.25Å; S21-L23 PolarHBondContact O-N 3.05Å; L23-L27 HydrophobicContact CD2-CD1 4.06Å; L23-L27 HydrophobicContact CG-CD1 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 2.96Å
24W71.1Confident76.5Confident39 Ų3958 Ų5815%0.14829%0.289CS..Hα-helixtrans-70.8-47.2175.3-73.994.7000110.9S21 V22 L26 L27 E28 F284 Y288 K1200S21-W24 WeakPolarHBondContact O-CB 3.46Å; S21-W24 PolarHBondContact O-N 3.49Å; V22-W24 VanDerWaalsContact C-N 3.27Å; V22-W24 PolarHBondContact O-N 2.76Å; W24-L26 VanDerWaalsContact C-N 3.27Å; W24-L26 PolarHBondContact O-N 3.46Å; W24-L27 PolarHBondContact O-N 3.06Å; W24-E28 VanDerWaalsContact O-CB 3.27Å; W24-E28 WeakPolarHBondContact O-CB 3.03Å; W24-E28 PolarHBondContact O-N 2.6Å; W24-F284 HydrophobicContact CD2-CZ 4.4Å; W24-F284 HydrophobicContact CE3-CE1 4.02Å; W24-F284 HydrophobicContact CE3-CE2 4.02Å; W24-F284 AromaticContact CE3-CZ 3.3Å; W24-F284 HydrophobicContact CE3-CZ 3.3Å; W24-F284 HydrophobicContact CZ3-CE1 4.46Å; W24-F284 AromaticContact CZ3-CE2 3.77Å; W24-F284 HydrophobicContact CZ3-CE2 3.77Å; W24-F284 AromaticContact CZ3-CZ 3.54Å; W24-F284 HydrophobicContact CZ3-CZ 3.54Å; W24-Y288 HydrophobicContact CB-CE2 4.11Å; W24-Y288 AromaticContact CD2-CD2 3.78Å; W24-Y288 HydrophobicContact CD2-CD2 3.78Å; W24-Y288 AromaticContact CD2-CE2 3.6Å; W24-Y288 HydrophobicContact CD2-CE2 3.6Å; W24-Y288 AromaticContact CE3-CD2 3.23Å; W24-Y288 HydrophobicContact CE3-CD2 3.23Å; W24-Y288 AromaticContact CE3-CE2 3.58Å; W24-Y288 HydrophobicContact CE3-CE2 3.58Å; W24-Y288 HydrophobicContact CE3-CG 4.09Å; W24-Y288 HydrophobicContact CG-CD2 4.42Å; W24-Y288 AromaticContact CG-CE2 3.84Å; W24-Y288 HydrophobicContact CG-CE2 3.84Å; W24-Y288 HydrophobicContact CH2-CD2 4.37Å; W24-Y288 AromaticContact CZ3-CD2 3.6Å; W24-Y288 HydrophobicContact CZ3-CD2 3.6Å; W24-Y288 HydrophobicContact CZ3-CE2 4.26Å; W24-Y288 HydrophobicContact CZ3-CG 4.46Å; W24-K1200 HydrophobicContact CH2-CG 4.39Å; W24-K1200 VanDerWaalsContact CZ2-CE 3.47Å
25S70.6Confident76.1Confident18 Ų1857.4 Ų57.413%0.12629%0.285CS..Hα-helixtrans-60.7-38.1177.1-56.20000111.9Q18 S21 V22 E28 L29Q18-S25 WeakPolarHBondContact CG-OG 3Å; S21-S25 PolarHBondContact O-N 3.36Å; V22-S25 PolarHBondContact O-N 3.41Å; S25-E28 PolarHBondContact O-N 3.49Å; S25-L29 WeakPolarHBondContact O-CB 3.43Å; S25-L29 WeakPolarHBondContact O-CD1 3.37Å; S25-L29 WeakPolarHBondContact O-CG 3.35Å; S25-L29 PolarHBondContact O-N 2.68Å
26L74.4Confident75.6Confident112 Ų11251.4 Ų51.459%0.58626%0.262SS*.Hα-helixtrans-67.6-39.7175-75174.9000112.3V22 W24 G30V22-L26 HydrophobicContact CG1-CD1 3.73Å; V22-L26 HydrophobicContact CG1-CG 3.96Å; V22-L26 WeakPolarHBondContact O-CB 3.37Å; V22-L26 VanDerWaalsContact O-CG 3.32Å; V22-L26 WeakPolarHBondContact O-CG 3.34Å; V22-L26 PolarHBondContact O-N 2.94Å; W24-L26 VanDerWaalsContact C-N 3.27Å; W24-L26 PolarHBondContact O-N 3.46Å; L26-G30 WeakPolarHBondContact O-CA 3.47Å; L26-G30 PolarHBondContact O-N 3.3Å
27L70Confident75.1Confident78 Ų7852.8 Ų52.841%0.40827%0.272SS..Hα-helixtrans-70.5-38.8174-75.1167.7000111.7L23 W24 L29 L31 F284L23-L27 HydrophobicContact CD2-CD1 4.06Å; L23-L27 HydrophobicContact CG-CD1 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 VanDerWaalsContact O-CG 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.12Å; L23-L27 PolarHBondContact O-N 2.96Å; W24-L27 PolarHBondContact O-N 3.06Å; L27-L29 PolarHBondContact O-N 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.22Å; L27-L31 PolarHBondContact O-N 3.49Å; L27-F284 HydrophobicContact CB-CE1 3.93Å; L27-F284 HydrophobicContact CB-CE2 4.21Å; L27-F284 HydrophobicContact CB-CZ 3.6Å; L27-F284 HydrophobicContact CD1-CE2 4.48Å; L27-F284 HydrophobicContact CD1-CZ 4.26Å
28E73.2Confident74.7Confident4 Ų453 Ų532%0.01927%0.273CS..Hα-helixtrans-63.8-39.7179.1-163.9175.7178.400111.8W24 S25 P32 F284 S285 K326W24-E28 VanDerWaalsContact O-CB 3.27Å; W24-E28 WeakPolarHBondContact O-CB 3.03Å; W24-E28 PolarHBondContact O-N 2.6Å; S25-E28 PolarHBondContact O-N 3.49Å; E28-P32 WeakPolarHBondContact O-CD 3.17Å; E28-P32 VanDerWaalsContact O-CG 3.3Å; E28-P32 WeakPolarHBondContact O-CG 3.39Å; E28-F284 HydrophobicContact CB-CD1 4.08Å; E28-F284 HydrophobicContact CB-CE1 3.85Å; E28-F284 HydrophobicContact CG-CD1 4.32Å; E28-F284 HydrophobicContact CG-CE1 4.43Å; E28-S285 WeakPolarHBondContact CG-OG 3.15Å; E28-K326 VanDerWaalsContact CD-NZ 3.33Å; E28-K326 IonicContact OE1-NZ 2.85Å; E28-K326 PolarHBondContact OE1-NZ 2.69Å; E28-K326 IonicContact OE2-NZ 2.67Å; E28-K326 PolarHBondContact OE2-NZ 3.21Å
29L74.5Confident74.8Confident61 Ų6151.2 Ų51.232%0.31927%0.265SS..Hα-helixtrans-85.3-40.6175.9-69.6163.8000112.2S25 L27 L33 I329 V330 I333S25-L29 WeakPolarHBondContact O-CB 3.43Å; S25-L29 WeakPolarHBondContact O-CD1 3.37Å; S25-L29 WeakPolarHBondContact O-CG 3.35Å; S25-L29 PolarHBondContact O-N 2.68Å; L27-L29 PolarHBondContact O-N 3.31Å; L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å; L29-I329 HydrophobicContact CD2-CB 4.4Å; L29-I329 HydrophobicContact CD2-CG2 3.68Å; L29-V330 HydrophobicContact CD2-CG2 3.86Å; L29-I333 HydrophobicContact CD2-CD1 4.13Å
30G74.4Confident74.7Confident30 Ų3043.8 Ų43.831%0.30924%0.238SC..Hα-helixtrans-75.8-28.8-172.200000113.7L26 L34L26-G30 WeakPolarHBondContact O-CA 3.47Å; L26-G30 PolarHBondContact O-N 3.3Å; G30-L34 WeakPolarHBondContact O-CB 3.38Å; G30-L34 PolarHBondContact O-N 3.29Å
31L72.4Confident74.5Confident21 Ų2143.1 Ų43.111%0.1125%0.245CC..Hα-helixtrans-71.6-52.2179.2-171.582.1000112L27 L33 L34 F35 F284 L1207L27-L31 WeakPolarHBondContact O-CB 3.22Å; L27-L31 PolarHBondContact O-N 3.49Å; L31-L33 PolarHBondContact O-N 3.31Å; L31-L34 WeakPolarHBondContact O-CB 2.92Å; L31-L34 PolarHBondContact O-N 3.34Å; L31-F35 HydrophobicContact CD1-CE2 4.11Å; L31-F35 HydrophobicContact CD1-CZ 4.44Å; L31-F35 HydrophobicContact CD2-CE2 3.72Å; L31-F35 HydrophobicContact CD2-CZ 4.37Å; L31-F35 HydrophobicContact CG-CD2 4.02Å; L31-F35 HydrophobicContact CG-CE2 3.45Å; L31-F35 VanDerWaalsContact CG-CE2 3.45Å; L31-F35 HydrophobicContact CG-CZ 4.2Å; L31-F35 WeakPolarHBondContact O-CD2 3.47Å; L31-F35 WeakPolarHBondContact O-CG 3.41Å; L31-F35 PolarHBondContact O-N 3.34Å; L31-F284 HydrophobicContact CD2-CB 3.81Å; L31-L1207 HydrophobicContact CD1-CD1 3.44Å; L31-L1207 VanDerWaalsContact CD1-CD1 3.44Å; L31-L1207 HydrophobicContact CD1-CD2 3.99Å; L31-L1207 HydrophobicContact CD1-CG 4.37Å; L31-L1207 HydrophobicContact CD2-CD1 4.05Å; L31-L1207 HydrophobicContact CD2-CD2 4.14Å; L31-L1207 HydrophobicContact CG-CD1 4.38Å; L31-L1207 HydrophobicContact CG-CD2 4.48Å
32P76.3Confident74.6Confident2 Ų242.6 Ų42.61%0.01324%0.24CC..Hα-helixtrans-52.8-42.7168.4-24.933.4000112.9E28 F35 V36 V330 I334E28-P32 WeakPolarHBondContact O-CD 3.17Å; E28-P32 VanDerWaalsContact O-CG 3.3Å; E28-P32 WeakPolarHBondContact O-CG 3.39Å; P32-F35 WeakPolarHBondContact O-CB 3.15Å; P32-F35 PolarHBondContact O-N 2.96Å; P32-V36 WeakPolarHBondContact O-CG2 3.29Å; P32-V36 PolarHBondContact O-N 3.23Å; P32-V330 HydrophobicContact CB-CG1 3.82Å; P32-V330 HydrophobicContact CG-CG1 3.72Å; P32-I334 HydrophobicContact CB-CD1 4.11Å; P32-I334 HydrophobicContact CB-CG1 4.23Å
33L75.9Confident75Confident60 Ų6038.8 Ų38.831%0.31422%0.217SC..Hα-helixtrans-63.7-44.3178.4-172.6143.4000111.4L29 L31 F35 V36 C37 I333 F337L29-L33 VanDerWaalsContact O-CB 3.28Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å; L31-L33 PolarHBondContact O-N 3.31Å; L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 3.06Å; L33-V36 PolarHBondContact O-N 3.02Å; L33-C37 WeakPolarHBondContact O-CB 3.41Å; L33-C37 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-SG 2.92Å; L33-I333 HydrophobicContact CB-CG2 4.45Å; L33-I333 HydrophobicContact CD1-CG2 3.92Å; L33-I333 HydrophobicContact CG-CG2 4.46Å; L33-F337 HydrophobicContact CD1-CE2 3.58Å; L33-F337 HydrophobicContact CD1-CZ 4.13Å; L33-F337 HydrophobicContact CG-CE2 3.79Å; L33-F337 HydrophobicContact CG-CZ 4.29Å
34L76.7Confident75.4Confident87 Ų8735.4 Ų35.446%0.45520%0.198SC..Hα-helixtrans-58.6-43.4175178.1130.8000111.3G30 L31 C37 V38 L1211G30-L34 WeakPolarHBondContact O-CB 3.38Å; G30-L34 PolarHBondContact O-N 3.29Å; L31-L34 WeakPolarHBondContact O-CB 2.92Å; L31-L34 PolarHBondContact O-N 3.34Å; L34-C37 PolarHBondContact O-N 3.13Å; L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 3.34Å; L34-L1211 HydrophobicContact CD2-CD2 3.87Å
35F75.7Confident75.7Confident1 Ų137.8 Ų37.80%0.00421%0.213CC..Hα-helixtrans-60.9-48176.7-74.9-61.7000113.1L31 P32 L33 V38 L39 V277 L280 S281 L1207 L1211L31-F35 HydrophobicContact CD1-CE2 4.11Å; L31-F35 HydrophobicContact CD1-CZ 4.44Å; L31-F35 HydrophobicContact CD2-CE2 3.72Å; L31-F35 HydrophobicContact CD2-CZ 4.37Å; L31-F35 HydrophobicContact CG-CD2 4.02Å; L31-F35 HydrophobicContact CG-CE2 3.45Å; L31-F35 VanDerWaalsContact CG-CE2 3.45Å; L31-F35 HydrophobicContact CG-CZ 4.2Å; L31-F35 WeakPolarHBondContact O-CD2 3.47Å; L31-F35 WeakPolarHBondContact O-CG 3.41Å; L31-F35 PolarHBondContact O-N 3.34Å; P32-F35 WeakPolarHBondContact O-CB 3.15Å; P32-F35 PolarHBondContact O-N 2.96Å; L33-F35 VanDerWaalsContact C-N 3.31Å; L33-F35 PolarHBondContact O-N 3.06Å; F35-V38 PolarHBondContact O-N 2.9Å; F35-L39 PolarHBondContact O-N 2.88Å; F35-V277 HydrophobicContact CB-CG1 3.79Å; F35-V277 HydrophobicContact CD1-CG1 4.44Å; F35-V277 HydrophobicContact CG-CG1 4.37Å; F35-L280 HydrophobicContact CE1-CB 3.93Å; F35-L280 HydrophobicContact CE1-CD1 4.33Å; F35-L280 HydrophobicContact CE2-CB 4.09Å; F35-L280 WeakPolarHBondContact CE2-O 3.46Å; F35-L280 HydrophobicContact CZ-CB 3.53Å; F35-S281 WeakPolarHBondContact CD2-OG 3.47Å; F35-L1207 HydrophobicContact CE1-CD2 4.09Å; F35-L1207 HydrophobicContact CE2-CD2 4.11Å; F35-L1207 HydrophobicContact CZ-CD2 3.29Å; F35-L1211 HydrophobicContact CD1-CD1 3.45Å; F35-L1211 VanDerWaalsContact CD1-CD1 3.45Å; F35-L1211 HydrophobicContact CD1-CD2 3.77Å; F35-L1211 HydrophobicContact CD1-CG 4.12Å; F35-L1211 HydrophobicContact CE1-CB 3.96Å; F35-L1211 HydrophobicContact CE1-CD1 3.46Å; F35-L1211 VanDerWaalsContact CE1-CD1 3.46Å; F35-L1211 HydrophobicContact CE1-CD2 3.44Å; F35-L1211 VanDerWaalsContact CE1-CD2 3.44Å; F35-L1211 HydrophobicContact CE1-CG 3.76Å; F35-L1211 HydrophobicContact CZ-CD2 4.34Å
36V76.7Confident76Confident1 Ų137.7 Ų37.71%0.00621%0.212CC..Hα-helixtrans-72.9-32.7179.2-169.70000111.1P32 L33 V38 L39 L40 I334 F337 L338P32-V36 WeakPolarHBondContact O-CG2 3.29Å; P32-V36 PolarHBondContact O-N 3.23Å; L33-V36 PolarHBondContact O-N 3.02Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 2.78Å; V36-L39 PolarHBondContact O-N 2.97Å; V36-L40 HydrophobicContact CG1-CD1 4.42Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 WeakPolarHBondContact O-CG 3.43Å; V36-L40 PolarHBondContact O-N 2.56Å; V36-I334 HydrophobicContact CG2-CB 4.4Å; V36-I334 HydrophobicContact CG2-CG1 4.07Å; V36-I334 HydrophobicContact CG2-CG2 4.15Å; V36-F337 HydrophobicContact CB-CB 4.15Å; V36-F337 HydrophobicContact CG1-CB 3.37Å; V36-F337 HydrophobicContact CG1-CG 4.39Å; V36-L338 HydrophobicContact CG1-CD2 4.22Å; V36-L338 HydrophobicContact CG1-CG 4.36Å
37C75.1Confident75.9Confident41 Ų4140.6 Ų40.628%0.27722%0.223SC..Hα-helixtrans-60.7-39.9171.3-750000111.8L33 L34 L40 T41L33-C37 WeakPolarHBondContact O-CB 3.41Å; L33-C37 PolarHBondContact O-N 3.41Å; L33-C37 PolarHBondContact O-SG 2.92Å; L34-C37 PolarHBondContact O-N 3.13Å; C37-L40 WeakPolarHBondContact O-CB 3.38Å; C37-L40 PolarHBondContact O-N 3.06Å; C37-T41 WeakPolarHBondContact O-CG2 3.23Å; C37-T41 PolarHBondContact O-N 2.91Å; C37-T41 PolarHBondContact O-OG1 2.75Å
38V74.9Confident76Confident35 Ų3539 Ų3921%0.21222%0.218CC..Hα-helixtrans-59.1-51173.3169.10000109.9L34 F35 V36 L40 T41 L42 T1215L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 3.34Å; F35-V38 PolarHBondContact O-N 2.9Å; V36-V38 VanDerWaalsContact C-N 3.32Å; V36-V38 PolarHBondContact O-N 2.78Å; V38-L40 VanDerWaalsContact C-N 3.26Å; V38-L40 PolarHBondContact O-N 2.79Å; V38-T41 WeakPolarHBondContact CA-OG1 2.78Å; V38-T41 PolarHBondContact O-N 2.84Å; V38-T41 PolarHBondContact O-OG1 2.8Å; V38-L42 HydrophobicContact CG1-CD1 3.8Å; V38-L42 HydrophobicContact CG1-CG 4.44Å; V38-L42 VanDerWaalsContact O-CG 3.22Å; V38-L42 WeakPolarHBondContact O-CG 3.2Å; V38-L42 PolarHBondContact O-N 3.32Å; V38-T1215 HydrophobicContact CG1-CG2 4.14Å
39L79.4Confident76.1Confident4 Ų441.1 Ų41.12%0.02123%0.233CC..Hα-helixtrans-57.5-39.6176.2-69.2179000112.5F35 V36 L42 R43 F266 V269 L274 V277 I347 I1218F35-L39 PolarHBondContact O-N 2.88Å; V36-L39 PolarHBondContact O-N 2.97Å; L39-L42 PolarHBondContact O-N 3.27Å; L39-R43 WeakPolarHBondContact O-CB 3.33Å; L39-R43 PolarHBondContact O-N 3.14Å; L39-F266 HydrophobicContact CB-CZ 4.14Å; L39-F266 HydrophobicContact CD2-CZ 4.11Å; L39-F266 WeakPolarHBondContact O-CZ 3.43Å; L39-V269 HydrophobicContact CD2-CG1 4.31Å; L39-L274 HydrophobicContact CD1-CD1 3.73Å; L39-V277 HydrophobicContact CD1-CB 4.31Å; L39-V277 HydrophobicContact CD1-CG1 3.85Å; L39-V277 HydrophobicContact CD1-CG2 4.31Å; L39-V277 HydrophobicContact CD2-CG2 4.43Å; L39-V277 HydrophobicContact CG-CG1 4.42Å; L39-I347 HydrophobicContact CB-CD1 4.03Å; L39-I1218 HydrophobicContact CD2-CD1 4.01Å
40L78.7Confident76.4Confident10 Ų1044.5 Ų44.55%0.05225%0.247CC..Hα-helixtrans-65.8-46.3176.5-81168.3000112.7V36 C37 V38 L42 R43 Q44 F337 I342 I347V36-L40 HydrophobicContact CG1-CD1 4.42Å; V36-L40 WeakPolarHBondContact O-CB 3.45Å; V36-L40 WeakPolarHBondContact O-CG 3.43Å; V36-L40 PolarHBondContact O-N 2.56Å; C37-L40 WeakPolarHBondContact O-CB 3.38Å; C37-L40 PolarHBondContact O-N 3.06Å; V38-L40 VanDerWaalsContact C-N 3.26Å; V38-L40 PolarHBondContact O-N 2.79Å; L40-L42 PolarHBondContact O-N 3.22Å; L40-R43 WeakPolarHBondContact O-CB 3.41Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.12Å; L40-Q44 WeakPolarHBondContact O-CG 3.07Å; L40-Q44 PolarHBondContact O-N 3.3Å; L40-F337 HydrophobicContact CD1-CB 3.68Å; L40-F337 HydrophobicContact CD1-CD1 3.16Å; L40-F337 HydrophobicContact CD1-CE1 4Å; L40-F337 HydrophobicContact CD1-CG 3.76Å; L40-F337 WeakPolarHBondContact CD2-O 3.3Å; L40-I342 HydrophobicContact CD1-CD1 3.95Å; L40-I342 HydrophobicContact CD2-CD1 4.13Å; L40-I347 HydrophobicContact CB-CD1 4.43Å; L40-I347 HydrophobicContact CD2-CD1 3.49Å; L40-I347 VanDerWaalsContact CD2-CD1 3.49Å; L40-I347 HydrophobicContact CD2-CG1 3.81Å; L40-I347 HydrophobicContact CG-CD1 3.57Å; L40-I347 HydrophobicContact CG-CG1 4.42Å
41T76.3Confident76.8Confident84 Ų8447.1 Ų47.152%0.51525%0.25SS..Hα-helixtrans-60.5-38.4176.854.20000111.4C37 V38 Q44C37-T41 WeakPolarHBondContact O-CG2 3.23Å; C37-T41 PolarHBondContact O-N 2.91Å; C37-T41 PolarHBondContact O-OG1 2.75Å; V38-T41 WeakPolarHBondContact CA-OG1 2.78Å; V38-T41 PolarHBondContact O-N 2.84Å; V38-T41 PolarHBondContact O-OG1 2.8Å; T41-Q44 PolarHBondContact O-N 2.78Å
42L77.9Confident77.4Confident8 Ų850.4 Ų50.44%0.04227%0.273CS..Hα-helixtrans-65.5-44.3174-65.6169.1000110.9V38 L39 L40 Q44 N45 V46 F266 I1218 L1219 L1222 L1224V38-L42 HydrophobicContact CG1-CD1 3.8Å; V38-L42 HydrophobicContact CG1-CG 4.44Å; V38-L42 VanDerWaalsContact O-CG 3.22Å; V38-L42 WeakPolarHBondContact O-CG 3.2Å; V38-L42 PolarHBondContact O-N 3.32Å; L39-L42 PolarHBondContact O-N 3.27Å; L40-L42 PolarHBondContact O-N 3.22Å; L42-Q44 VanDerWaalsContact C-N 3.27Å; L42-Q44 PolarHBondContact O-N 3.42Å; L42-N45 PolarHBondContact O-N 3.13Å; L42-N45 VanDerWaalsContact O-N 3.09Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.42Å; L42-F266 HydrophobicContact CB-CE2 4.08Å; L42-I1218 HydrophobicContact CD1-CB 4.35Å; L42-I1218 HydrophobicContact CD1-CG2 3.72Å; L42-L1219 HydrophobicContact CD2-CD1 4.46Å; L42-L1219 HydrophobicContact CD2-CD2 3.19Å; L42-L1219 HydrophobicContact CD2-CG 3.65Å; L42-L1222 HydrophobicContact CB-CD1 4.1Å; L42-L1224 HydrophobicContact CD2-CD1 4.47Å
43R81.1Confident77.8Confident4 Ų456.4 Ų56.42%0.01530%0.296CS..Hα-helixtrans-59.8-34.2176.2177.560.2179.9108.2-4.3113L39 L40 N45 V46 S48 F266 R346 I347 D349L39-R43 WeakPolarHBondContact O-CB 3.33Å; L39-R43 PolarHBondContact O-N 3.14Å; L40-R43 WeakPolarHBondContact O-CB 3.41Å; L40-R43 PolarHBondContact O-N 3.4Å; L40-R43 VanDerWaalsContact O-N 3.12Å; R43-N45 VanDerWaalsContact C-N 3.26Å; R43-N45 PolarHBondContact O-N 2.76Å; R43-V46 PolarHBondContact NH1-O 3.11Å; R43-V46 PolarHBondContact O-N 2.78Å; R43-S48 VanDerWaalsContact CZ-OG 3.24Å; R43-S48 PolarHBondContact NH1-OG 3.07Å; R43-S48 PolarHBondContact NH2-OG 3.4Å; R43-F266 HydrophobicContact CB-CD2 4.25Å; R43-F266 HydrophobicContact CB-CE2 4.01Å; R43-F266 HydrophobicContact CB-CZ 4.15Å; R43-R346 PolarHBondContact NE-O 2.68Å; R43-R346 PolarHBondContact NH2-O 3.21Å; R43-I347 HydrophobicContact CB-CG1 4.05Å; R43-I347 HydrophobicContact CG-CG1 4.01Å; R43-D349 IonicContact NH2-OD1 2.78Å; R43-D349 IonicContact NH2-OD2 3.81Å
44Q78.8Confident78.3Confident44 Ų4457.5 Ų57.521%0.20630%0.296CS..Hα-helixtrans-62.6-34.6176.3-68.8-59.3-46.100112.3L40 T41 L42 V46 I342 N343 K345L40-Q44 WeakPolarHBondContact O-CG 3.07Å; L40-Q44 PolarHBondContact O-N 3.3Å; T41-Q44 PolarHBondContact O-N 2.78Å; L42-Q44 VanDerWaalsContact C-N 3.27Å; L42-Q44 PolarHBondContact O-N 3.42Å; Q44-V46 VanDerWaalsContact C-N 3.33Å; Q44-I342 PolarHBondContact NE2-O 3.45Å; Q44-N343 PolarHBondContact OE1-ND2 3.19Å; Q44-K345 PolarHBondContact O-NZ 3.33Å
45N76.4Confident78.8Confident88 Ų8856.3 Ų56.347%0.47129%0.29SS..Hα-helixtrans-80-15-179.6-65.4-21.3000113.2L42 R43 L1224L42-N45 PolarHBondContact O-N 3.13Å; L42-N45 VanDerWaalsContact O-N 3.09Å; R43-N45 VanDerWaalsContact C-N 3.26Å; R43-N45 PolarHBondContact O-N 2.76Å; N45-L1224 HydrophobicContact CB-CD1 3.65Å; N45-L1224 HydrophobicContact CB-CD2 3.93Å; N45-L1224 HydrophobicContact CB-CG 4.48Å
46V76.5Confident79.5Confident17 Ų1756.9 Ų56.910%0.10329%0.292CS..SBendtrans-91.8124.5178.2-179.30000109.5L42 R43 Q44 F266 K345 L1222L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.42Å; R43-V46 PolarHBondContact NH1-O 3.11Å; R43-V46 PolarHBondContact O-N 2.78Å; Q44-V46 VanDerWaalsContact C-N 3.33Å; V46-F266 HydrophobicContact CG2-CD2 4.35Å; V46-K345 PolarHBondContact O-NZ 3.07Å; V46-L1222 HydrophobicContact CG2-CB 4.21Å; V46-L1222 HydrophobicContact CG2-CD1 3.75Å; V46-L1222 HydrophobicContact CG2-CD2 3.69Å; V46-L1222 HydrophobicContact CG2-CG 4.08Å
47Q72.1Confident80Confident172 Ų17264.4 Ų64.480%0.80433%0.327SS*.  trans-82141.2172.6-64.4-162.51.100110.2
48S73.6Confident80.6Confident45 Ų4564.1 Ų64.132%0.31533%0.331SS..  trans-110.6123.6171.1-56.60000107.5R43 D263R43-S48 VanDerWaalsContact CZ-OG 3.24Å; R43-S48 PolarHBondContact NH1-OG 3.07Å; R43-S48 PolarHBondContact NH2-OG 3.4Å; S48-D263 VanDerWaalsContact CA-O 3.26Å; S48-D263 WeakPolarHBondContact CA-O 3.48Å
49S75.7Confident81.3Confident48 Ų4862.9 Ų62.934%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-104.1122.9177.162.30000109.5K51 D263S49-K51 PolarHBondContact O-N 2.98Å; S49-K51 VanDerWaalsContact OG-CE 3.28Å; S49-K51 WeakPolarHBondContact OG-CE 3.32Å; S49-D263 PolarHBondContact N-O 2.93Å; S49-D263 PolarHBondContact O-N 3.21Å
50H80.1Confident81.8Confident132 Ų13266.6 Ų66.661%0.61134%0.34SS*.EExtended strand (participates in β ladder)trans-69.4119.4167.8-173.162.4000108.3N262H50-N262 PolarHBondContact ND1-OD1 3.45Å
51K82.3Confident82.4Confident86 Ų8666.2 Ų66.237%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-102.8126.9177.1-64.5-69.4-172.4176.70107.8S49 P260 Y261 D263S49-K51 PolarHBondContact O-N 2.98Å; S49-K51 VanDerWaalsContact OG-CE 3.28Å; S49-K51 WeakPolarHBondContact OG-CE 3.32Å; K51-P260 WeakPolarHBondContact O-CA 3.15Å; K51-Y261 HydrophobicContact CB-CD1 3.95Å; K51-Y261 HydrophobicContact CB-CE1 3.53Å; K51-Y261 HydrophobicContact CB-CE2 4.22Å; K51-Y261 HydrophobicContact CB-CG 4.44Å; K51-Y261 HydrophobicContact CG-CE1 4.13Å; K51-Y261 HydrophobicContact CG-CE2 4.08Å; K51-Y261 PolarHBondContact N-O 3.49Å; K51-Y261 PolarHBondContact O-N 3.31Å; K51-D263 HydrophobicContact CG-CB 4.19Å
52P84.8Confident83Confident89 Ų8964.6 Ų64.658%0.57833%0.328SS*.PPolyproline II helixtrans-63172.3172.929.7-34.9000110.4R54P52-R54 PolarHBondContact O-N 3.43Å
53Y85.4Confident83.3Confident128 Ų12864.3 Ų64.350%0.50233%0.327SS..PPolyproline II helixtrans-56.2142.6172.479.1-87.9000109.5Y258 T987 L991Y53-Y258 VanDerWaalsContact CA-O 3.28Å; Y53-Y258 WeakPolarHBondContact CA-O 3.31Å; Y53-Y258 WeakPolarHBondContact CB-O 3.4Å; Y53-T987 HydrophobicContact CE2-CG2 4.28Å; Y53-L991 HydrophobicContact CD2-CD1 4.37Å; Y53-L991 HydrophobicContact CG-CD1 4.41Å
54R86.2Confident83.6Confident83 Ų8366.2 Ų66.231%0.31334%0.339SS..BIsolated β-bridgetrans-116.3117.2-178-168.1169-172.7164.91.6108.7P52 Y56 S210 N211 A257 Y258P52-R54 PolarHBondContact O-N 3.43Å; R54-Y56 HydrophobicContact CB-CE2 4.43Å; R54-Y56 HydrophobicContact CG-CE1 4.17Å; R54-Y56 HydrophobicContact CG-CE2 4.29Å; R54-Y56 WeakPolarHBondContact O-CE2 3.39Å; R54-S210 PolarHBondContact NE-O 2.86Å; R54-S210 VanDerWaalsContact NE-O 3.09Å; R54-S210 VanDerWaalsContact NH1-C 3.29Å; R54-S210 VanDerWaalsContact NH1-CB 3.32Å; R54-S210 PolarHBondContact NH1-O 2.94Å; R54-S210 PolarHBondContact NH1-OG 3.38Å; R54-S210 PolarHBondContact NH2-O 3.33Å; R54-S210 VanDerWaalsContact NH2-O 3.13Å; R54-N211 PolarHBondContact NH1-OD1 3.45Å; R54-N211 PolarHBondContact NH2-OD1 2.93Å; R54-A257 CarbonylContact O-C 3.59Å; R54-A257 WeakPolarHBondContact O-CA 3.37Å; R54-Y258 PolarHBondContact N-O 3.46Å; R54-Y258 PolarHBondContact O-N 3.22Å
55D87.7Confident83.8Confident63 Ų6368.3 Ų68.334%0.33735%0.346SS..  trans-93.3156.9168.1-155.4-15.7000109R254 T987D55-R254 VanDerWaalsContact CG-NH2 3.28Å; D55-R254 IonicContact OD1-CZ 3.25Å; D55-R254 IonicContact OD1-NE 2.94Å; D55-R254 IonicContact OD1-NH2 2.74Å; D55-R254 PolarHBondContact OD1-NH2 2.99Å; D55-R254 IonicContact OD2-NH2 2.81Å; D55-R254 PolarHBondContact OD2-NH2 3.15Å; D55-R254 VanDerWaalsContact OD2-NH2 3.15Å; D55-T987 PolarHBondContact OD2-OG1 3.42Å
56Y89.7Confident84.1Confident13 Ų1371.7 Ų71.75%0.05136%0.356CS..  trans-127140.4-175.8-61.3-87.9000109.7R54 P207 S210 R254 R255 F256R54-Y56 HydrophobicContact CB-CE2 4.43Å; R54-Y56 HydrophobicContact CG-CE1 4.17Å; R54-Y56 HydrophobicContact CG-CE2 4.29Å; R54-Y56 WeakPolarHBondContact O-CE2 3.39Å; Y56-P207 WeakPolarHBondContact OH-CB 3.35Å; Y56-P207 WeakPolarHBondContact OH-CG 3.42Å; Y56-S210 WeakPolarHBondContact CE1-O 3.31Å; Y56-R254 PolarHBondContact O-NE 2.98Å; Y56-R254 PolarHBondContact O-NH2 3.37Å; Y56-R255 HydrophobicContact CD2-CB 4.05Å; Y56-R255 HydrophobicContact CD2-CG 3.72Å; Y56-R255 HydrophobicContact CE2-CG 4.11Å; Y56-R255 HydrophobicContact CG-CB 3.94Å; Y56-R255 HydrophobicContact CG-CG 3.98Å; Y56-R255 VanDerWaalsContact CZ-CZ 3.42Å; Y56-R255 PolarHBondContact OH-NH2 3.28Å; Y56-F256 WeakPolarHBondContact CD2-O 3.43Å; Y56-F256 WeakPolarHBondContact CE2-O 3.5Å
57E87.3Confident84.5Confident159 Ų15970.9 Ų70.974%0.74335%0.351SS*.  trans-69.2146.4172.6-63.3-171.2170.100110.1
58G87.6Confident84.7Confident35 Ų3563.1 Ų63.136%0.36132%0.315SS..EExtended strand (participates in β ladder)trans-88157.2171.700000110.5L253G58-L253 CarbonylContact C-O 3.5Å; G58-L253 VanDerWaalsContact CA-O 3.24Å; G58-L253 WeakPolarHBondContact CA-O 3.36Å
59F90Very high84.8Confident8 Ų866.7 Ų66.74%0.03533%0.33CS..EExtended strand (participates in β ladder)trans-126.3148.9175.857.3-85.2000110.3L72 D214 W221 S252 L253 L1034F59-L72 HydrophobicContact CB-CD1 3.54Å; F59-L72 HydrophobicContact CB-CD2 4.46Å; F59-L72 HydrophobicContact CD1-CD1 4.12Å; F59-L72 HydrophobicContact CD1-CD2 3.82Å; F59-L72 HydrophobicContact CE1-CD2 4.15Å; F59-L72 HydrophobicContact CG-CD1 4.02Å; F59-L72 HydrophobicContact CG-CD2 4.03Å; F59-D214 HydrophobicContact CE1-CB 4.24Å; F59-D214 HydrophobicContact CZ-CB 4.29Å; F59-W221 HydrophobicContact CD2-CD2 4.15Å; F59-W221 AromaticContact CD2-CE3 3.93Å; F59-W221 HydrophobicContact CD2-CE3 3.93Å; F59-W221 AromaticContact CD2-CH2 3.97Å; F59-W221 HydrophobicContact CD2-CH2 3.97Å; F59-W221 HydrophobicContact CD2-CZ2 4.21Å; F59-W221 AromaticContact CD2-CZ3 3.83Å; F59-W221 HydrophobicContact CD2-CZ3 3.83Å; F59-W221 AromaticContact CE2-CD2 3.84Å; F59-W221 HydrophobicContact CE2-CD2 3.84Å; F59-W221 AromaticContact CE2-CE3 3.51Å; F59-W221 HydrophobicContact CE2-CE3 3.51Å; F59-W221 HydrophobicContact CE2-CG 4.4Å; F59-W221 HydrophobicContact CE2-CH2 4.4Å; F59-W221 AromaticContact CE2-CZ3 3.82Å; F59-W221 HydrophobicContact CE2-CZ3 3.82Å; F59-W221 HydrophobicContact CZ-CE3 4.5Å; F59-S252 CarbonylContact O-C 3.25Å; F59-S252 VanDerWaalsContact O-CA 3.23Å; F59-S252 WeakPolarHBondContact O-CA 3.22Å; F59-S252 PolarHBondContact O-OG 2.95Å; F59-L253 WeakPolarHBondContact CD1-O 3.39Å; F59-L253 HydrophobicContact CD2-CB 4.41Å; F59-L253 HydrophobicContact CE1-CB 4.06Å; F59-L253 HydrophobicContact CE2-CB 3.86Å; F59-L253 HydrophobicContact CE2-CD1 3.99Å; F59-L253 HydrophobicContact CE2-CG 4.47Å; F59-L253 HydrophobicContact CZ-CB 3.67Å; F59-L253 HydrophobicContact CZ-CD1 4.2Å; F59-L253 PolarHBondContact N-O 3.01Å; F59-L253 PolarHBondContact O-N 3.09Å; F59-L1034 HydrophobicContact CZ-CD1 4.14Å; F59-L1034 HydrophobicContact CZ-CD2 4.49Å
60E90.2Very high84.6Confident82 Ų8268.2 Ų68.238%0.38333%0.331SS..EExtended strand (participates in β ladder)trans-88.9150.4177.9-67.9-171-176.400110.3M1021E60-M1021 VanDerWaalsContact OE1-CE 3.25Å; E60-M1021 WeakPolarHBondContact OE1-CE 3.44Å
61I91.2Very high84.1Confident3 Ų365.8 Ų65.82%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-131.6124.8173.4-170.9170.8000109.5W221 L226 H230 V251 L253 L1038I61-W221 HydrophobicContact CB-CZ3 4.31Å; I61-W221 HydrophobicContact CD1-CZ3 4.13Å; I61-W221 HydrophobicContact CG1-CZ3 4.13Å; I61-L226 HydrophobicContact CD1-CB 3.64Å; I61-L226 WeakPolarHBondContact CD1-O 3.31Å; I61-H230 HydrophobicContact CD1-CB 4.05Å; I61-H230 HydrophobicContact CG1-CB 4.4Å; I61-V251 HydrophobicContact CG2-CB 3.95Å; I61-V251 HydrophobicContact CG2-CG1 3.73Å; I61-V251 PolarHBondContact N-O 2.62Å; I61-L253 HydrophobicContact CG2-CD1 4.24Å; I61-L253 HydrophobicContact CG2-CG 4.47Å; I61-L1038 HydrophobicContact CD1-CD2 4.12Å; I61-L1038 HydrophobicContact CG2-CD1 4.16Å
62T88.3Confident83.6Confident49 Ų4962.8 Ų62.830%0.30131%0.314SS..  trans-104.8-21.7-176.667.40000113.3T64 D67 K234T62-T64 PolarHBondContact OG1-N 2.89Å; T62-T64 PolarHBondContact OG1-OG1 3.43Å; T62-D67 WeakPolarHBondContact CB-OD1 3.46Å; T62-D67 PolarHBondContact N-OD1 2.77Å; T62-D67 VanDerWaalsContact N-OD1 3.12Å; T62-D67 PolarHBondContact N-OD2 3.33Å; T62-D67 VanDerWaalsContact OG1-CG 3.29Å; T62-D67 PolarHBondContact OG1-OD1 2.76Å; T62-D67 PolarHBondContact OG1-OD2 3.12Å; T62-K234 PolarHBondContact O-NZ 3.19Å
63G85.1Confident82.9Confident2 Ų261.9 Ų61.92%0.02131%0.305CS..SBendtrans75.627.9-17200000111.8D67 L107G63-D67 WeakPolarHBondContact CA-OD2 3.46Å; G63-D67 PolarHBondContact N-OD2 3.14Å; G63-L107 WeakPolarHBondContact O-CD2 3.5Å
64T87.3Confident81.9Confident44 Ų4459 Ų5927%0.2731%0.314SS..SBendtrans-126.4170.8-175.774.70000111.8T62 K66 D67 A106T62-T64 PolarHBondContact OG1-N 2.89Å; T62-T64 PolarHBondContact OG1-OG1 3.43Å; T64-K66 PolarHBondContact O-N 3.1Å; T64-K66 PolarHBondContact OG1-N 3.39Å; T64-D67 PolarHBondContact N-OD2 2.94Å; T64-D67 PolarHBondContact O-N 2.8Å; T64-D67 VanDerWaalsContact O-N 3.14Å; T64-A106 WeakPolarHBondContact CA-O 3.33Å
65R82.9Confident80.6Confident89 Ų8957.3 Ų57.334%0.33631%0.311SS..Hα-helixtrans-53.2-27.2175.1-171.9176.5-174.11604.2113.9D67 F68 A106 L108R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.39Å; R65-F68 PolarHBondContact O-N 3.5Å; R65-A106 PolarHBondContact N-O 3.41Å; R65-A106 VanDerWaalsContact N-O 3.15Å; R65-L108 HydrophobicContact CB-CD1 4.2Å
66K83.3Confident79.2Confident158 Ų15857.7 Ų57.769%0.68732%0.316SS*.Hα-helixtrans-60.5-38.2-179.1-69.1-175.9178.6-179.80112.1T64 F68 L69 E70T64-K66 PolarHBondContact O-N 3.1Å; T64-K66 PolarHBondContact OG1-N 3.39Å; K66-F68 PolarHBondContact O-N 2.75Å; K66-L69 PolarHBondContact O-N 3.37Å; K66-E70 PolarHBondContact O-N 3.26Å
67D83.8Confident77.8Confident1 Ų157.5 Ų57.51%0.00532%0.315CS..Hα-helixtrans-61.4-35.1-178.1-55.4-15.1000111.2T62 G63 T64 R65 L69 E70 I77 W221 I227T62-D67 WeakPolarHBondContact CB-OD1 3.46Å; T62-D67 PolarHBondContact N-OD1 2.77Å; T62-D67 VanDerWaalsContact N-OD1 3.12Å; T62-D67 PolarHBondContact N-OD2 3.33Å; T62-D67 VanDerWaalsContact OG1-CG 3.29Å; T62-D67 PolarHBondContact OG1-OD1 2.76Å; T62-D67 PolarHBondContact OG1-OD2 3.12Å; G63-D67 WeakPolarHBondContact CA-OD2 3.46Å; G63-D67 PolarHBondContact N-OD2 3.14Å; T64-D67 PolarHBondContact N-OD2 2.94Å; T64-D67 PolarHBondContact O-N 2.8Å; T64-D67 VanDerWaalsContact O-N 3.14Å; R65-D67 VanDerWaalsContact C-N 3.26Å; R65-D67 PolarHBondContact O-N 3.39Å; D67-L69 PolarHBondContact O-N 3.4Å; D67-E70 PolarHBondContact O-N 3.15Å; D67-I77 VanDerWaalsContact O-CD1 3.29Å; D67-I77 WeakPolarHBondContact O-CD1 3.45Å; D67-W221 HydrophobicContact CB-CH2 4.32Å; D67-I227 HydrophobicContact CB-CD1 3.67Å; D67-I227 HydrophobicContact CB-CG1 3.77Å; D67-I227 HydrophobicContact CB-CG2 4.16Å
68F76.8Confident76.3Confident8 Ų852.6 Ų52.64%0.03529%0.292CS..Hα-helixtrans-66.1-24176-78.2-73.4000114.1R65 K66 I77 F85 L107 Y139 I227R65-F68 PolarHBondContact O-N 3.5Å; K66-F68 PolarHBondContact O-N 2.75Å; F68-I77 HydrophobicContact CD1-CG2 4.33Å; F68-F85 HydrophobicContact CD2-CZ 4.45Å; F68-F85 HydrophobicContact CE2-CE2 4.35Å; F68-F85 HydrophobicContact CE2-CZ 4.39Å; F68-F85 HydrophobicContact CZ-CE2 4.25Å; F68-F85 HydrophobicContact CZ-CZ 4.49Å; F68-L107 HydrophobicContact CE2-CD2 4.11Å; F68-Y139 AromaticContact CE1-CE2 3.86Å; F68-Y139 HydrophobicContact CE1-CE2 3.86Å; F68-Y139 AromaticContact CE1-CZ 3.77Å; F68-Y139 VanDerWaalsContact CE1-OH 3.26Å; F68-Y139 WeakPolarHBondContact CE1-OH 3.2Å; F68-Y139 HydrophobicContact CZ-CE1 4.36Å; F68-Y139 HydrophobicContact CZ-CE2 4.12Å; F68-Y139 AromaticContact CZ-CZ 3.74Å; F68-Y139 WeakPolarHBondContact CZ-OH 3.44Å; F68-I227 HydrophobicContact CD1-CD1 3.83Å; F68-I227 HydrophobicContact CD2-CD1 4.14Å; F68-I227 HydrophobicContact CD2-CG2 4.04Å; F68-I227 HydrophobicContact CE1-CD1 3.93Å; F68-I227 HydrophobicContact CE2-CB 4.28Å; F68-I227 HydrophobicContact CE2-CD1 4.25Å; F68-I227 HydrophobicContact CE2-CG2 3.59Å; F68-I227 HydrophobicContact CG-CD1 3.94Å; F68-I227 HydrophobicContact CZ-CB 4.25Å; F68-I227 HydrophobicContact CZ-CD1 4.14Å; F68-I227 HydrophobicContact CZ-CG2 4.05Å
69L75.4Confident74.5Confident120 Ų12053.2 Ų53.263%0.62829%0.288SS*.Hα-helixtrans-95.9-8-179.2-62.2172.4000111.9K66 D67K66-L69 PolarHBondContact O-N 3.37Å; D67-L69 PolarHBondContact O-N 3.4Å
70E72.5Confident72.5Confident80 Ų8058.8 Ų58.837%0.37433%0.325SS..  trans-78.7134.9-177.8-163.7166.5-172.200110.4K66 D67K66-E70 PolarHBondContact O-N 3.26Å; D67-E70 PolarHBondContact O-N 3.15Å
71T68.4Low70.6Confident82 Ų8257.1 Ų57.150%0.50332%0.322SS..EExtended strand (participates in β ladder)trans-94.5125.9176.652.90000109.6D75 V76T71-D75 VanDerWaalsContact CA-O 3.28Å; T71-D75 WeakPolarHBondContact CA-O 3.47Å; T71-V76 HydrophobicContact CG2-CB 4.28Å; T71-V76 HydrophobicContact CG2-CG2 3.75Å
72L72.2Confident68.8Low22 Ų2257.8 Ų57.812%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-114.6131.3174.1-170.770.2000109.1F59 G74 D75 S213 D214 W221F59-L72 HydrophobicContact CB-CD1 3.54Å; F59-L72 HydrophobicContact CB-CD2 4.46Å; F59-L72 HydrophobicContact CD1-CD1 4.12Å; F59-L72 HydrophobicContact CD1-CD2 3.82Å; F59-L72 HydrophobicContact CE1-CD2 4.15Å; F59-L72 HydrophobicContact CG-CD1 4.02Å; F59-L72 HydrophobicContact CG-CD2 4.03Å; L72-G74 PolarHBondContact O-N 2.88Å; L72-G74 VanDerWaalsContact O-N 3.15Å; L72-D75 PolarHBondContact N-O 2.79Å; L72-D75 PolarHBondContact O-N 3.27Å; L72-S213 WeakPolarHBondContact CD1-OG 3.31Å; L72-S213 WeakPolarHBondContact CD2-OG 3.42Å; L72-S213 WeakPolarHBondContact CG-OG 3.43Å; L72-D214 HydrophobicContact CD2-CB 3.69Å; L72-W221 HydrophobicContact CD2-CG 4.23Å
73D70.5Confident67.2Low71 Ų7160 Ų6038%0.3834%0.335SS..THydrogen-bonded Turntrans54.427.2-175.1-50.8-43.6000114.5D75 Y212 S213D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 3.03Å; D73-Y212 WeakPolarHBondContact OD2-CA 3.36Å; D73-S213 WeakPolarHBondContact OD1-CB 3.35Å; D73-S213 PolarHBondContact OD1-OG 3.07Å; D73-S213 PolarHBondContact OD2-N 3.3Å; D73-S213 PolarHBondContact OD2-OG 3.46Å
74G64.3Low65.6Low68 Ų6863.5 Ų63.570%0.70136%0.357SS*.THydrogen-bonded Turntrans83.7-8-176.700000114.8L72L72-G74 PolarHBondContact O-N 2.88Å; L72-G74 VanDerWaalsContact O-N 3.15Å
75D58.6Low64.8Low47 Ų4762 Ų6225%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-88.7128.1176.9-69.8-23.8000109.8T71 L72 D73 Y212 R222T71-D75 VanDerWaalsContact CA-O 3.28Å; T71-D75 WeakPolarHBondContact CA-O 3.47Å; L72-D75 PolarHBondContact N-O 2.79Å; L72-D75 PolarHBondContact O-N 3.27Å; D73-D75 VanDerWaalsContact C-N 3.26Å; D73-D75 PolarHBondContact O-N 3.03Å; D75-Y212 WeakPolarHBondContact OD2-CE1 3.27Å; D75-R222 IonicContact OD2-CZ 2.99Å; D75-R222 VanDerWaalsContact OD2-CZ 3.28Å; D75-R222 IonicContact OD2-NH1 3.31Å; D75-R222 PolarHBondContact OD2-NH1 3.06Å; D75-R222 IonicContact OD2-NH2 3.01Å; D75-R222 PolarHBondContact OD2-NH2 2.85Å
76V58.2Low64.9Low71 Ų7162 Ų6243%0.4335%0.347SS..EExtended strand (participates in β ladder)trans-75.4138.1163.2-162.20000107.1T71 F78T71-V76 HydrophobicContact CG2-CB 4.28Å; T71-V76 HydrophobicContact CG2-CG2 3.75Å; V76-F78 HydrophobicContact CG1-CB 3.85Å; V76-F78 PolarHBondContact O-N 2.83Å
77I59.5Low65.2Low9 Ų954.4 Ų54.45%0.04631%0.314CS..SBendtrans-54.4-24168.9-63.3-178.9000111.1D67 F68 N171 W221 R222 I227D67-I77 VanDerWaalsContact O-CD1 3.29Å; D67-I77 WeakPolarHBondContact O-CD1 3.45Å; F68-I77 HydrophobicContact CD1-CG2 4.33Å; I77-N171 VanDerWaalsContact O-CG 3.24Å; I77-N171 PolarHBondContact O-ND2 2.92Å; I77-W221 HydrophobicContact CD1-CD2 4.35Å; I77-W221 HydrophobicContact CD1-CZ2 4Å; I77-R222 WeakPolarHBondContact CG2-O 3.11Å; I77-I227 HydrophobicContact CD1-CD1 3.95Å
78F55.5Low65.6Low56 Ų5654.9 Ų54.925%0.24632%0.316CS..  trans-115.4121.5-153.7-156.6-93.3000113.7V76 F82 N83 F85V76-F78 HydrophobicContact CG1-CB 3.85Å; V76-F78 PolarHBondContact O-N 2.83Å; F78-F82 HydrophobicContact CE2-CB 3.89Å; F78-F82 HydrophobicContact CZ-CB 3.83Å; F78-F82 WeakPolarHBondContact CZ-O 3.49Å; F78-N83 HydrophobicContact CZ-CB 4.23Å; F78-F85 HydrophobicContact CE2-CE1 4.09Å
79T51.7Low66.5Low48 Ų4855.3 Ų55.329%0.29432%0.317SS..  trans-88.9148.1159.848.30000110.2C81T79-C81 PolarHBondContact O-N 3.46Å
80P46.5Very low67.3Low124 Ų12449.8 Ų49.881%0.80529%0.289SS*.THydrogen-bonded Turntrans-59.4-9.2-173.6-22.230.9000116.4F82P80-F82 VanDerWaalsContact C-N 3.31Å; P80-F82 PolarHBondContact O-N 2.77Å
81C51Low68.2Low47 Ų4747.8 Ų47.832%0.31828%0.283SS..THydrogen-bonded Turntrans-77-7.1-173.9-78.70000115.5T79 C134T79-C81 PolarHBondContact O-N 3.46Å; C81-C134 HydrophobicContact CB-CB 3.42Å; C81-C134 VanDerWaalsContact CB-CB 3.42Å; C81-C134 WeakPolarHBondContact CB-SG 3.44Å; C81-C134 WeakPolarHBondContact SG-CB 3.33Å; C81-C134 CovalentContact SG-SG 2.03Å; C81-C134 PolarHBondContact SG-SG 3.26Å
82F54.1Low69.1Low17 Ų1746.8 Ų46.88%0.07528%0.278CS..  trans-110.148.9-172.5-72.8-72000114.2F78 P80 F85 R170F78-F82 HydrophobicContact CE2-CB 3.89Å; F78-F82 HydrophobicContact CZ-CB 3.83Å; F78-F82 WeakPolarHBondContact CZ-O 3.49Å; P80-F82 VanDerWaalsContact C-N 3.31Å; P80-F82 PolarHBondContact O-N 2.77Å; F82-F85 WeakPolarHBondContact O-CD1 3.41Å; F82-R170 HydrophobicContact CZ-CB 4.32Å
83N52.9Low69.9Low95 Ų9547.4 Ų47.451%0.50828%0.282SS..  trans-142.6117.7176.1-143.8-0.7000112.5F78F78-N83 HydrophobicContact CZ-CB 4.23Å
84P52Low70.7Confident77 Ų7751.8 Ų51.850%0.530%0.302SS..SBendcis-101.1136.51035.1-28.6000115.1D137P84-D137 WeakPolarHBondContact O-CB 3.31Å; P84-D137 VanDerWaalsContact O-CG 3.24Å
85F71Confident71.7Confident12 Ų1251 Ų515%0.05328%0.28CS..  trans-99.4152.6-176.654.6-78.9000115.1F68 F78 F82 V109 P110 D137 Y139F68-F85 HydrophobicContact CD2-CZ 4.45Å; F68-F85 HydrophobicContact CE2-CE2 4.35Å; F68-F85 HydrophobicContact CE2-CZ 4.39Å; F68-F85 HydrophobicContact CZ-CE2 4.25Å; F68-F85 HydrophobicContact CZ-CZ 4.49Å; F78-F85 HydrophobicContact CE2-CE1 4.09Å; F82-F85 WeakPolarHBondContact O-CD1 3.41Å; F85-V109 HydrophobicContact CD2-CB 4.48Å; F85-V109 HydrophobicContact CD2-CG1 3.6Å; F85-V109 HydrophobicContact CE1-CG1 4.39Å; F85-V109 HydrophobicContact CE2-CG1 3.34Å; F85-V109 HydrophobicContact CG-CG1 4.27Å; F85-V109 HydrophobicContact CZ-CG1 3.78Å; F85-P110 VanDerWaalsContact O-CD 3.26Å; F85-P110 WeakPolarHBondContact O-CD 3.32Å; F85-D137 CarbonylContact C-O 3.48Å; F85-D137 WeakPolarHBondContact CA-O 3.38Å; F85-D137 VanDerWaalsContact CB-O 3.3Å; F85-D137 WeakPolarHBondContact CB-O 3.31Å; F85-Y139 AromaticContact CD2-CD2 3.92Å; F85-Y139 HydrophobicContact CD2-CD2 3.92Å; F85-Y139 HydrophobicContact CD2-CG 4Å; F85-Y139 HydrophobicContact CE2-CD2 4.25Å; F85-Y139 HydrophobicContact CE2-CG 4.5Å
86R85Confident73.2Confident88 Ų8848.8 Ų48.833%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-122.2147.8-178.7-33-164.5178.9154.86.1112.2Y88 P110 D137 Y139R86-Y88 HydrophobicContact CB-CE1 4.26Å; R86-P110 CarbonylContact C-O 3.52Å; R86-P110 VanDerWaalsContact CA-O 3.27Å; R86-P110 WeakPolarHBondContact CA-O 3.24Å; R86-P110 HydrophobicContact CB-CG 3.95Å; R86-P110 HydrophobicContact CG-CB 4.48Å; R86-P110 HydrophobicContact CG-CG 3.65Å; R86-D137 HydrophobicContact CG-CB 4.24Å; R86-D137 PolarHBondContact N-O 2.87Å; R86-D137 IonicContact NH2-OD2 3.21Å; R86-Y139 WeakPolarHBondContact O-CB 3.44Å; R86-Y139 PolarHBondContact O-N 3.37Å
87I89.5Confident74.8Confident0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-113.4130.6176.8-59.8170.8000109.9M100 L107 V109 P110 V111 H112 Y139 V142 L228I87-M100 HydrophobicContact CG2-CE 3.77Å; I87-L107 HydrophobicContact CD1-CD1 3.87Å; I87-V109 HydrophobicContact CD1-CG2 3.6Å; I87-V109 HydrophobicContact CG1-CG2 4.11Å; I87-P110 PolarHBondContact N-O 3.47Å; I87-V111 HydrophobicContact CB-CG1 4.23Å; I87-V111 CarbonylContact O-C 3.55Å; I87-V111 VanDerWaalsContact O-CA 3.25Å; I87-V111 WeakPolarHBondContact O-CA 3.03Å; I87-H112 PolarHBondContact O-N 3.22Å; I87-Y139 HydrophobicContact CD1-CD1 4.48Å; I87-Y139 HydrophobicContact CG1-CD1 4.16Å; I87-V142 HydrophobicContact CG2-CG2 4.26Å; I87-L228 HydrophobicContact CD1-CD1 3.86Å
88Y92.9Very high76.3Confident11 Ų1151.9 Ų51.94%0.04328%0.281CS..EExtended strand (participates in β ladder)trans-97.1151.4177.5-67.1-2.2000110.9R86 H112 F114 N123 I124 E127 V138 G140 G141 V142R86-Y88 HydrophobicContact CB-CE1 4.26Å; Y88-H112 CarbonylContact C-O 3.55Å; Y88-H112 VanDerWaalsContact CA-O 3.22Å; Y88-H112 WeakPolarHBondContact CA-O 3.29Å; Y88-H112 HydrophobicContact CD1-CB 3.7Å; Y88-H112 HydrophobicContact CE1-CB 3.77Å; Y88-H112 AromaticContact CE1-CD2 3.93Å; Y88-F114 AromaticContact CD1-CE2 3.87Å; Y88-F114 HydrophobicContact CD1-CE2 3.87Å; Y88-F114 HydrophobicContact CD2-CD2 4.05Å; Y88-F114 AromaticContact CD2-CE2 3.19Å; Y88-F114 HydrophobicContact CD2-CE2 3.19Å; Y88-F114 AromaticContact CD2-CZ 3.71Å; Y88-F114 HydrophobicContact CD2-CZ 3.71Å; Y88-F114 HydrophobicContact CE1-CE2 4.19Å; Y88-F114 AromaticContact CE2-CE2 3.62Å; Y88-F114 HydrophobicContact CE2-CE2 3.62Å; Y88-F114 AromaticContact CE2-CZ 3.67Å; Y88-F114 HydrophobicContact CE2-CZ 3.67Å; Y88-F114 HydrophobicContact CG-CD2 4.06Å; Y88-F114 AromaticContact CG-CE2 3.37Å; Y88-F114 HydrophobicContact CG-CE2 3.37Å; Y88-F114 HydrophobicContact CG-CZ 4.28Å; Y88-N123 HydrophobicContact CE2-CB 4.39Å; Y88-I124 HydrophobicContact CD2-CD1 4.13Å; Y88-I124 HydrophobicContact CD2-CG1 3.4Å; Y88-I124 HydrophobicContact CE2-CG1 4.02Å; Y88-I124 HydrophobicContact CG-CG1 4.26Å; Y88-E127 PolarHBondContact OH-OE1 3.01Å; Y88-V138 HydrophobicContact CD2-CG1 4.32Å; Y88-V138 HydrophobicContact CE1-CG2 4.02Å; Y88-V138 HydrophobicContact CE2-CG1 4.34Å; Y88-V138 HydrophobicContact CE2-CG2 3.81Å; Y88-V138 HydrophobicContact CG-CG1 4.5Å; Y88-G140 PolarHBondContact N-O 2.92Å; Y88-G141 CarbonylContact O-C 3.54Å; Y88-G141 VanDerWaalsContact O-CA 3.22Å; Y88-G141 WeakPolarHBondContact O-CA 3.33Å; Y88-V142 PolarHBondContact O-N 3.37Å
89Y94.2Very high78.1Confident16 Ų1649.2 Ų49.26%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-149.4163174.971.2-82.7000114.1N97 M100 V111 H112 A113 F114 V142 F144Y89-N97 WeakPolarHBondContact CE2-OD1 3.43Å; Y89-N97 WeakPolarHBondContact OH-CA 3.46Å; Y89-N97 PolarHBondContact OH-OD1 3.13Å; Y89-M100 HydrophobicContact CD1-CB 3.83Å; Y89-M100 HydrophobicContact CD1-CE 4.36Å; Y89-M100 HydrophobicContact CD1-CG 3.81Å; Y89-M100 HydrophobicContact CD2-CB 4.26Å; Y89-M100 HydrophobicContact CD2-CG 3.71Å; Y89-M100 HydrophobicContact CE1-CB 3.8Å; Y89-M100 HydrophobicContact CE1-CG 4.21Å; Y89-M100 HydrophobicContact CE2-CB 4.22Å; Y89-M100 HydrophobicContact CE2-CG 4.12Å; Y89-M100 HydrophobicContact CG-CB 4.06Å; Y89-M100 HydrophobicContact CG-CE 4.49Å; Y89-M100 HydrophobicContact CG-CG 3.53Å; Y89-V111 HydrophobicContact CD1-CB 4.43Å; Y89-V111 HydrophobicContact CE1-CB 4.22Å; Y89-V111 HydrophobicContact CE1-CG2 4.46Å; Y89-H112 VanDerWaalsContact CD1-O 3.28Å; Y89-H112 WeakPolarHBondContact CD1-O 3.44Å; Y89-H112 PolarHBondContact N-O 3.21Å; Y89-A113 HydrophobicContact CD1-CB 4.25Å; Y89-A113 HydrophobicContact CD2-CB 4.28Å; Y89-A113 HydrophobicContact CE1-CB 3.62Å; Y89-A113 HydrophobicContact CE2-CB 3.66Å; Y89-A113 CarbonylContact O-C 3.53Å; Y89-A113 WeakPolarHBondContact O-CA 3.43Å; Y89-A113 WeakPolarHBondContact OH-CB 3.26Å; Y89-F114 PolarHBondContact O-N 2.87Å; Y89-V142 CarbonylContact C-O 3.57Å; Y89-V142 WeakPolarHBondContact CA-O 3.31Å; Y89-V142 WeakPolarHBondContact CB-O 3.38Å; Y89-F144 HydrophobicContact CD2-CE2 4.31Å
90T93.2Very high80.1Confident4 Ų447 Ų473%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-158.6153.4-179.1174.60000110.9F114 N116 E117 M120 V142 V143 F144T90-F114 WeakPolarHBondContact CB-O 3.34Å; T90-F114 PolarHBondContact OG1-O 3.18Å; T90-F114 VanDerWaalsContact OG1-O 3.12Å; T90-N116 WeakPolarHBondContact OG1-CA 3.46Å; T90-E117 HydrophobicContact CG2-CB 4.3Å; T90-M120 HydrophobicContact CG2-CB 4.5Å; T90-M120 HydrophobicContact CG2-CE 4.32Å; T90-M120 HydrophobicContact CG2-SD 3.81Å; T90-V142 PolarHBondContact N-O 2.8Å; T90-V143 HydrophobicContact CG2-CB 4.08Å; T90-V143 HydrophobicContact CG2-CG1 3.99Å; T90-V143 HydrophobicContact CG2-CG2 3.73Å; T90-V143 CarbonylContact O-C 3.58Å; T90-V143 WeakPolarHBondContact O-CA 3.42Å; T90-F144 PolarHBondContact O-N 2.83Å
91P91.3Very high82.3Confident38 Ų3846.9 Ų46.925%0.24724%0.242CC..SBendcis-77.3159.9-14.832.2-33.8000112T93 T96 F144P91-T93 HydrophobicContact CG-CG2 4.32Å; P91-T93 PolarHBondContact O-N 2.8Å; P91-T96 PolarHBondContact O-OG1 2.83Å; P91-F144 WeakPolarHBondContact CD-O 3.49Å
92P88.1Confident84.2Confident62 Ų6246.7 Ų46.740%0.40324%0.238SC..  trans-81.6100179.231.6-29.8000109.7A113 F114P92-A113 HydrophobicContact CB-CB 3.8Å; P92-F114 VanDerWaalsContact CD-O 3.28Å; P92-F114 WeakPolarHBondContact CD-O 3.39Å
93T88.2Confident86Confident34 Ų3445.9 Ų45.921%0.20923%0.234CC..  trans-118.1164.7172.477.60000109.5P91 E95 T96 N97 V149P91-T93 HydrophobicContact CG-CG2 4.32Å; P91-T93 PolarHBondContact O-N 2.8Å; T93-E95 WeakPolarHBondContact CB-OE2 2.98Å; T93-E95 PolarHBondContact O-N 2.81Å; T93-E95 PolarHBondContact OG1-OE2 3.37Å; T93-T96 WeakPolarHBondContact CA-OG1 3.16Å; T93-T96 PolarHBondContact N-OG1 2.83Å; T93-T96 PolarHBondContact O-N 3.36Å; T93-T96 PolarHBondContact O-OG1 2.64Å; T93-T96 VanDerWaalsContact O-OG1 3.12Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.4Å; T93-T96 PolarHBondContact OG1-N 2.79Å; T93-T96 PolarHBondContact OG1-OG1 2.77Å; T93-N97 WeakPolarHBondContact O-CB 3.27Å; T93-N97 PolarHBondContact O-N 3.38Å; T93-N97 PolarHBondContact O-ND2 2.81Å; T93-N97 PolarHBondContact O-OD1 3.21Å; T93-V149 HydrophobicContact CG2-CG2 3.74Å; T93-V149 WeakPolarHBondContact OG1-CG2 3.47Å
94M86.4Confident87.8Confident163 Ų16341.7 Ų41.780%0.80321%0.213SC*.Hα-helixtrans-56.3-41.3179.8-177.2173.3174.400111.6Q98M94-Q98 PolarHBondContact O-N 3.27Å
95E86.8Confident89.7Confident51 Ų5142.8 Ų42.824%0.23822%0.215CC..Hα-helixtrans-72.6-47.6-178-52.875.2-166.100111.6T93 N97 Q98 I99 V149 L152 M239T93-E95 WeakPolarHBondContact CB-OE2 2.98Å; T93-E95 PolarHBondContact O-N 2.81Å; T93-E95 PolarHBondContact OG1-OE2 3.37Å; E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.23Å; E95-Q98 PolarHBondContact O-N 3.12Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.33Å; E95-I99 PolarHBondContact O-N 2.9Å; E95-V149 HydrophobicContact CG-CG1 4.25Å; E95-V149 WeakPolarHBondContact OE2-CG1 3.29Å; E95-V149 WeakPolarHBondContact OE2-CG2 3.42Å; E95-L152 HydrophobicContact CB-CD2 3.98Å; E95-L152 HydrophobicContact CG-CD2 3.81Å; E95-M239 HydrophobicContact CB-SD 4.13Å
96T90Very high90.5Very high1 Ų144.1 Ų44.11%0.00623%0.228CC..Hα-helixtrans-67.3-35179.251.70000111.9P91 T93 Q98 I99 M100 F144 F148P91-T96 PolarHBondContact O-OG1 2.83Å; T93-T96 WeakPolarHBondContact CA-OG1 3.16Å; T93-T96 PolarHBondContact N-OG1 2.83Å; T93-T96 PolarHBondContact O-N 3.36Å; T93-T96 PolarHBondContact O-OG1 2.64Å; T93-T96 VanDerWaalsContact O-OG1 3.12Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.4Å; T93-T96 PolarHBondContact OG1-N 2.79Å; T93-T96 PolarHBondContact OG1-OG1 2.77Å; T96-Q98 VanDerWaalsContact C-N 3.31Å; T96-Q98 PolarHBondContact O-N 3.07Å; T96-I99 PolarHBondContact O-N 2.88Å; T96-M100 WeakPolarHBondContact O-CB 3.38Å; T96-M100 WeakPolarHBondContact O-CG 3.36Å; T96-M100 PolarHBondContact O-N 2.72Å; T96-F144 HydrophobicContact CG2-CB 4.06Å; T96-F144 HydrophobicContact CG2-CD1 4.23Å; T96-F144 HydrophobicContact CG2-CD2 3.47Å; T96-F144 VanDerWaalsContact CG2-CD2 3.47Å; T96-F144 HydrophobicContact CG2-CE2 3.91Å; T96-F144 HydrophobicContact CG2-CG 3.65Å; T96-F144 HydrophobicContact CG2-CZ 4.45Å; T96-F148 HydrophobicContact CG2-CD1 3.97Å; T96-F148 HydrophobicContact CG2-CE1 4.17Å
97N91.7Very high90.6Very high63 Ų6340 Ų4034%0.33721%0.212SC..Hα-helixtrans-62.2-40.2172.5-69.2-5.2000111.3Y89 T93 E95 K101Y89-N97 WeakPolarHBondContact CE2-OD1 3.43Å; Y89-N97 WeakPolarHBondContact OH-CA 3.46Å; Y89-N97 PolarHBondContact OH-OD1 3.13Å; T93-N97 WeakPolarHBondContact O-CB 3.27Å; T93-N97 PolarHBondContact O-N 3.38Å; T93-N97 PolarHBondContact O-ND2 2.81Å; T93-N97 PolarHBondContact O-OD1 3.21Å; E95-N97 VanDerWaalsContact C-N 3.33Å; E95-N97 PolarHBondContact O-N 3.23Å; N97-K101 WeakPolarHBondContact O-CB 3.44Å; N97-K101 PolarHBondContact O-N 2.8Å
98Q90.8Very high90.5Very high83 Ų8345.3 Ų45.339%0.38824%0.24SC..Hα-helixtrans-67.7-48.7177.6-177.556.238.800111.2M94 E95 T96 M100 K101 D102M94-Q98 PolarHBondContact O-N 3.27Å; E95-Q98 PolarHBondContact O-N 3.12Å; T96-Q98 VanDerWaalsContact C-N 3.31Å; T96-Q98 PolarHBondContact O-N 3.07Å; Q98-M100 VanDerWaalsContact C-N 3.34Å; Q98-M100 PolarHBondContact O-N 3.1Å; Q98-K101 PolarHBondContact O-N 3.45Å; Q98-D102 PolarHBondContact NE2-OD1 2.76Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.1Å; Q98-D102 PolarHBondContact NE2-OD2 3.16Å; Q98-D102 VanDerWaalsContact NE2-OD2 3.1Å; Q98-D102 PolarHBondContact O-N 3.38Å
99I92.5Very high90.1Very high0 Ų045.4 Ų45.40%024%0.242CC..Hα-helixtrans-53.9-51.9175.8-66.1161.5000110.2E95 T96 K101 D102 V103 F144 F148 A235 I236 M239E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.33Å; E95-I99 PolarHBondContact O-N 2.9Å; T96-I99 PolarHBondContact O-N 2.88Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.17Å; I99-D102 PolarHBondContact O-N 3.39Å; I99-V103 WeakPolarHBondContact O-CG2 3.35Å; I99-V103 PolarHBondContact O-N 3.22Å; I99-F144 HydrophobicContact CD1-CE1 4.42Å; I99-F144 HydrophobicContact CG2-CE1 4.36Å; I99-F144 HydrophobicContact CG2-CZ 4.03Å; I99-F148 HydrophobicContact CD1-CE1 3.71Å; I99-F148 HydrophobicContact CD1-CZ 3.93Å; I99-A235 HydrophobicContact CG2-CB 3.86Å; I99-I236 HydrophobicContact CD1-CG1 4.08Å; I99-I236 HydrophobicContact CG1-CG1 4.43Å; I99-I236 HydrophobicContact CG2-CG1 4Å; I99-M239 HydrophobicContact CD1-CE 3.31Å; I99-M239 HydrophobicContact CD1-SD 3.85Å; I99-M239 HydrophobicContact CG1-CE 3.58Å; I99-M239 HydrophobicContact CG1-SD 3.57Å; I99-M239 VanDerWaalsContact CG1-SD 3.57Å
100M93.6Very high89.8Confident0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-71.6-28.4-176.4-69-57.7-53.800112.9I87 Y89 T96 Q98 D102 V103 G104 V111 V142 F144 V232I87-M100 HydrophobicContact CG2-CE 3.77Å; Y89-M100 HydrophobicContact CD1-CB 3.83Å; Y89-M100 HydrophobicContact CD1-CE 4.36Å; Y89-M100 HydrophobicContact CD1-CG 3.81Å; Y89-M100 HydrophobicContact CD2-CB 4.26Å; Y89-M100 HydrophobicContact CD2-CG 3.71Å; Y89-M100 HydrophobicContact CE1-CB 3.8Å; Y89-M100 HydrophobicContact CE1-CG 4.21Å; Y89-M100 HydrophobicContact CE2-CB 4.22Å; Y89-M100 HydrophobicContact CE2-CG 4.12Å; Y89-M100 HydrophobicContact CG-CB 4.06Å; Y89-M100 HydrophobicContact CG-CE 4.49Å; Y89-M100 HydrophobicContact CG-CG 3.53Å; T96-M100 WeakPolarHBondContact O-CB 3.38Å; T96-M100 WeakPolarHBondContact O-CG 3.36Å; T96-M100 PolarHBondContact O-N 2.72Å; Q98-M100 VanDerWaalsContact C-N 3.34Å; Q98-M100 PolarHBondContact O-N 3.1Å; M100-D102 VanDerWaalsContact C-N 3.34Å; M100-V103 HydrophobicContact CE-CB 4.38Å; M100-V103 HydrophobicContact CE-CG1 4.24Å; M100-V103 PolarHBondContact O-N 3.05Å; M100-V103 HydrophobicContact SD-CG2 4.34Å; M100-G104 PolarHBondContact O-N 2.76Å; M100-V111 HydrophobicContact CE-CG1 4.13Å; M100-V111 WeakPolarHBondContact O-CG1 3.39Å; M100-V142 HydrophobicContact CE-CB 4.35Å; M100-V142 HydrophobicContact CE-CG2 4.11Å; M100-V142 HydrophobicContact SD-CB 4.19Å; M100-V142 HydrophobicContact SD-CG1 4.2Å; M100-V142 HydrophobicContact SD-CG2 4.33Å; M100-F144 HydrophobicContact CG-CE2 3.8Å; M100-F144 HydrophobicContact CG-CZ 3.98Å; M100-F144 HydrophobicContact SD-CE2 4.08Å; M100-F144 HydrophobicContact SD-CZ 3.89Å; M100-V232 HydrophobicContact SD-CG2 4.41Å
101K92.7Very high89.7Confident122 Ų12249 Ų4953%0.5327%0.267SS..Hα-helixtrans-64.9-40.3170.7-175-179.8-179.8-1750111.3N97 Q98 I99 G104 N105N97-K101 WeakPolarHBondContact O-CB 3.44Å; N97-K101 PolarHBondContact O-N 2.8Å; Q98-K101 PolarHBondContact O-N 3.45Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 3.17Å; K101-G104 PolarHBondContact O-N 2.68Å; K101-N105 VanDerWaalsContact O-CG 3.23Å; K101-N105 PolarHBondContact O-N 3.35Å; K101-N105 PolarHBondContact O-ND2 2.95Å
102D91.3Very high89.6Confident44 Ų4450.9 Ų50.924%0.23527%0.272CS..Hα-helixtrans-67.1-40.9176.3-66.8-22.8000111.3Q98 I99 M100 N105 A106 A235Q98-D102 PolarHBondContact NE2-OD1 2.76Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.1Å; Q98-D102 PolarHBondContact NE2-OD2 3.16Å; Q98-D102 VanDerWaalsContact NE2-OD2 3.1Å; Q98-D102 PolarHBondContact O-N 3.38Å; I99-D102 PolarHBondContact O-N 3.39Å; M100-D102 VanDerWaalsContact C-N 3.34Å; D102-N105 PolarHBondContact O-N 3.49Å; D102-A106 WeakPolarHBondContact O-CB 3.18Å; D102-A106 PolarHBondContact O-N 3.35Å; D102-A235 HydrophobicContact CB-CB 4.08Å
103V92.4Very high89.8Confident0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-59.1-48.7170.6174.60000111.1I99 M100 N105 A106 L107 L228 A231 V232 A235I99-V103 WeakPolarHBondContact O-CG2 3.35Å; I99-V103 PolarHBondContact O-N 3.22Å; M100-V103 HydrophobicContact CE-CB 4.38Å; M100-V103 HydrophobicContact CE-CG1 4.24Å; M100-V103 PolarHBondContact O-N 3.05Å; M100-V103 HydrophobicContact SD-CG2 4.34Å; V103-N105 VanDerWaalsContact C-N 3.3Å; V103-N105 PolarHBondContact O-N 2.95Å; V103-A106 PolarHBondContact O-N 2.83Å; V103-L107 HydrophobicContact CG1-CD1 3.81Å; V103-L107 HydrophobicContact CG1-CG 4.35Å; V103-L107 WeakPolarHBondContact O-CB 3.46Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 3.02Å; V103-L228 HydrophobicContact CG1-CD1 4.23Å; V103-A231 HydrophobicContact CG1-CB 4.18Å; V103-V232 HydrophobicContact CG1-CG2 4.45Å; V103-V232 HydrophobicContact CG2-CB 4.41Å; V103-V232 HydrophobicContact CG2-CG2 3.9Å; V103-A235 HydrophobicContact CG2-CB 3.73Å
104G90.2Very high89.9Confident6 Ų649.7 Ų49.76%0.06227%0.266CS..Hα-helixtrans-59.8-39178.800000112.7M100 K101 L108 V109M100-G104 PolarHBondContact O-N 2.76Å; K101-G104 PolarHBondContact O-N 2.68Å; G104-L108 CarbonylContact O-C 3.57Å; G104-L108 WeakPolarHBondContact O-CA 3.39Å; G104-L108 PolarHBondContact O-N 3.01Å; G104-V109 VanDerWaalsContact CA-O 3.28Å; G104-V109 WeakPolarHBondContact CA-O 3.46Å; G104-V109 PolarHBondContact O-N 3.1Å
105N91.1Very high90Very high100 Ų10045.5 Ų45.554%0.53525%0.251SS..Hα-helixtrans-68.7-44174.8-70.6-26.9000112.5K101 D102 V103 L107 L108K101-N105 VanDerWaalsContact O-CG 3.23Å; K101-N105 PolarHBondContact O-N 3.35Å; K101-N105 PolarHBondContact O-ND2 2.95Å; D102-N105 PolarHBondContact O-N 3.49Å; V103-N105 VanDerWaalsContact C-N 3.3Å; V103-N105 PolarHBondContact O-N 2.95Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; N105-L108 PolarHBondContact O-N 3.46Å
106A88.6Confident90.1Very high41 Ų4146.6 Ų46.634%0.33926%0.258SS..Hα-helixtrans-64.3-39.3-179.700000112.2T64 R65 D102 V103T64-A106 WeakPolarHBondContact CA-O 3.33Å; R65-A106 PolarHBondContact N-O 3.41Å; R65-A106 VanDerWaalsContact N-O 3.15Å; D102-A106 WeakPolarHBondContact O-CB 3.18Å; D102-A106 PolarHBondContact O-N 3.35Å; V103-A106 PolarHBondContact O-N 2.83Å
107L87.6Confident90Very high0 Ų048.7 Ų48.70%027%0.268CS..Hα-helixtrans-88.9-10.3179.1-58.4-176.1000113G63 F68 I87 V103 N105 V109 I227 L228 A231G63-L107 WeakPolarHBondContact O-CD2 3.5Å; F68-L107 HydrophobicContact CE2-CD2 4.11Å; I87-L107 HydrophobicContact CD1-CD1 3.87Å; V103-L107 HydrophobicContact CG1-CD1 3.81Å; V103-L107 HydrophobicContact CG1-CG 4.35Å; V103-L107 WeakPolarHBondContact O-CB 3.46Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 3.02Å; N105-L107 VanDerWaalsContact C-N 3.34Å; N105-L107 PolarHBondContact O-N 2.91Å; L107-V109 HydrophobicContact CB-CG1 4.35Å; L107-V109 HydrophobicContact CB-CG2 3.71Å; L107-I227 HydrophobicContact CD2-CG2 3.77Å; L107-L228 HydrophobicContact CD1-CD1 4.24Å; L107-A231 HydrophobicContact CD1-CB 4.16Å; L107-A231 HydrophobicContact CD2-CB 4.06Å; L107-A231 HydrophobicContact CG-CB 4.15Å
108L86.3Confident89.9Confident112 Ų11250.9 Ų50.959%0.58628%0.279SS*.THydrogen-bonded Turntrans5447.4-172.5-60.6165.2000112.8R65 G104 N105R65-L108 HydrophobicContact CB-CD1 4.2Å; G104-L108 CarbonylContact O-C 3.57Å; G104-L108 WeakPolarHBondContact O-CA 3.39Å; G104-L108 PolarHBondContact O-N 3.01Å; N105-L108 PolarHBondContact O-N 3.46Å
109V84.7Confident89.8Confident13 Ų1350.9 Ų50.98%0.07928%0.278CS..  trans-129.3141.5-177.8-64.20000111.7F85 I87 G104 L107F85-V109 HydrophobicContact CD2-CB 4.48Å; F85-V109 HydrophobicContact CD2-CG1 3.6Å; F85-V109 HydrophobicContact CE1-CG1 4.39Å; F85-V109 HydrophobicContact CE2-CG1 3.34Å; F85-V109 HydrophobicContact CG-CG1 4.27Å; F85-V109 HydrophobicContact CZ-CG1 3.78Å; I87-V109 HydrophobicContact CD1-CG2 3.6Å; I87-V109 HydrophobicContact CG1-CG2 4.11Å; G104-V109 VanDerWaalsContact CA-O 3.28Å; G104-V109 WeakPolarHBondContact CA-O 3.46Å; G104-V109 PolarHBondContact O-N 3.1Å; L107-V109 HydrophobicContact CB-CG1 4.35Å; L107-V109 HydrophobicContact CB-CG2 3.71Å
110P87.6Confident89.7Confident58 Ų5850.9 Ų50.938%0.37728%0.278SS..  trans-63135.917126-36.5000112F85 R86 I87F85-P110 VanDerWaalsContact O-CD 3.26Å; F85-P110 WeakPolarHBondContact O-CD 3.32Å; R86-P110 CarbonylContact C-O 3.52Å; R86-P110 VanDerWaalsContact CA-O 3.27Å; R86-P110 WeakPolarHBondContact CA-O 3.24Å; R86-P110 HydrophobicContact CB-CG 3.95Å; R86-P110 HydrophobicContact CG-CB 4.48Å; R86-P110 HydrophobicContact CG-CG 3.65Å; I87-P110 PolarHBondContact N-O 3.47Å
111V91.1Very high89.4Confident38 Ų3852.5 Ų52.523%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-113.7135.8175.3-67.70000111I87 Y89 M100I87-V111 HydrophobicContact CB-CG1 4.23Å; I87-V111 CarbonylContact O-C 3.55Å; I87-V111 VanDerWaalsContact O-CA 3.25Å; I87-V111 WeakPolarHBondContact O-CA 3.03Å; Y89-V111 HydrophobicContact CD1-CB 4.43Å; Y89-V111 HydrophobicContact CE1-CB 4.22Å; Y89-V111 HydrophobicContact CE1-CG2 4.46Å; M100-V111 HydrophobicContact CE-CG1 4.13Å; M100-V111 WeakPolarHBondContact O-CG1 3.39Å
112H90.6Very high89.1Confident78 Ų7852.9 Ų52.936%0.36129%0.291SS..EExtended strand (participates in β ladder)trans-127.7133.6-179.5-67.9-81.9000111.7I87 Y88 Y89 F114I87-H112 PolarHBondContact O-N 3.22Å; Y88-H112 CarbonylContact C-O 3.55Å; Y88-H112 VanDerWaalsContact CA-O 3.22Å; Y88-H112 WeakPolarHBondContact CA-O 3.29Å; Y88-H112 HydrophobicContact CD1-CB 3.7Å; Y88-H112 HydrophobicContact CE1-CB 3.77Å; Y88-H112 AromaticContact CE1-CD2 3.93Å; Y89-H112 VanDerWaalsContact CD1-O 3.28Å; Y89-H112 WeakPolarHBondContact CD1-O 3.44Å; Y89-H112 PolarHBondContact N-O 3.21Å; H112-F114 HydrophobicContact CB-CE2 4.39Å
113A91Very high88.8Confident43 Ų4353.2 Ų53.236%0.35529%0.293SS..EExtended strand (participates in β ladder)trans-98.1145.5-17600000111.8Y89 P92Y89-A113 HydrophobicContact CD1-CB 4.25Å; Y89-A113 HydrophobicContact CD2-CB 4.28Å; Y89-A113 HydrophobicContact CE1-CB 3.62Å; Y89-A113 HydrophobicContact CE2-CB 3.66Å; Y89-A113 CarbonylContact O-C 3.53Å; Y89-A113 WeakPolarHBondContact O-CA 3.43Å; Y89-A113 WeakPolarHBondContact OH-CB 3.26Å; P92-A113 HydrophobicContact CB-CB 3.8Å
114F91.9Very high88.4Confident28 Ų2853.2 Ų53.212%0.12329%0.293CS..  trans-128.4143.1176-73.2-88.6000110.5Y88 Y89 T90 P92 H112 N116 E119 M120 N123Y88-F114 AromaticContact CD1-CE2 3.87Å; Y88-F114 HydrophobicContact CD1-CE2 3.87Å; Y88-F114 HydrophobicContact CD2-CD2 4.05Å; Y88-F114 AromaticContact CD2-CE2 3.19Å; Y88-F114 HydrophobicContact CD2-CE2 3.19Å; Y88-F114 AromaticContact CD2-CZ 3.71Å; Y88-F114 HydrophobicContact CD2-CZ 3.71Å; Y88-F114 HydrophobicContact CE1-CE2 4.19Å; Y88-F114 AromaticContact CE2-CE2 3.62Å; Y88-F114 HydrophobicContact CE2-CE2 3.62Å; Y88-F114 AromaticContact CE2-CZ 3.67Å; Y88-F114 HydrophobicContact CE2-CZ 3.67Å; Y88-F114 HydrophobicContact CG-CD2 4.06Å; Y88-F114 AromaticContact CG-CE2 3.37Å; Y88-F114 HydrophobicContact CG-CE2 3.37Å; Y88-F114 HydrophobicContact CG-CZ 4.28Å; Y89-F114 PolarHBondContact O-N 2.87Å; T90-F114 WeakPolarHBondContact CB-O 3.34Å; T90-F114 PolarHBondContact OG1-O 3.18Å; T90-F114 VanDerWaalsContact OG1-O 3.12Å; P92-F114 VanDerWaalsContact CD-O 3.28Å; P92-F114 WeakPolarHBondContact CD-O 3.39Å; H112-F114 HydrophobicContact CB-CE2 4.39Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 3.02Å; F114-E119 HydrophobicContact CD1-CG 4.24Å; F114-M120 HydrophobicContact CB-CB 3.75Å; F114-M120 HydrophobicContact CB-CG 4.27Å; F114-M120 HydrophobicContact CD2-CB 4.15Å; F114-M120 HydrophobicContact CD2-CG 3.88Å; F114-M120 HydrophobicContact CG-CB 3.92Å; F114-M120 HydrophobicContact CG-CG 4.18Å; F114-N123 HydrophobicContact CE1-CB 3.84Å; F114-N123 WeakPolarHBondContact CE1-ND2 3.5Å; F114-N123 HydrophobicContact CZ-CB 3.95Å
115P87.4Confident88Confident75 Ų7554 Ų5449%0.48730%0.296SS..SBendtrans-68.7-29.2-172.628.1-35.9000113.8E119P115-E119 WeakPolarHBondContact CG-OE2 3.38Å
116N88.6Confident87.4Confident74 Ų7456.9 Ų56.940%0.39630%0.303SS..SBendtrans-143.8160.5177.566.558.8000112.1T90 F114 I118 E119 M120T90-N116 WeakPolarHBondContact OG1-CA 3.46Å; F114-N116 VanDerWaalsContact C-N 3.34Å; F114-N116 PolarHBondContact O-N 3.02Å; N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 2.73Å; N116-I118 PolarHBondContact OD1-N 2.8Å; N116-I118 VanDerWaalsContact OD1-N 3.16Å; N116-E119 PolarHBondContact O-N 3.3Å; N116-E119 VanDerWaalsContact OD1-CB 3.27Å; N116-E119 WeakPolarHBondContact OD1-CB 3.28Å; N116-E119 PolarHBondContact OD1-N 3.16Å; N116-M120 PolarHBondContact O-N 3.34Å; N116-M120 VanDerWaalsContact O-N 3.14Å
117E89.2Confident86.6Confident45 Ų4557.6 Ų57.621%0.2130%0.3CS..Hα-helixtrans-61.8-31.5-178176.4168.1-161.800113.3T90 Q121 V143 K162 R164T90-E117 HydrophobicContact CG2-CB 4.3Å; E117-Q121 VanDerWaalsContact CG-NE2 3.28Å; E117-Q121 WeakPolarHBondContact O-CB 3.28Å; E117-Q121 WeakPolarHBondContact O-CG 3.44Å; E117-Q121 PolarHBondContact O-N 3.43Å; E117-Q121 VanDerWaalsContact O-N 3.09Å; E117-Q121 PolarHBondContact OE1-NE2 3.06Å; E117-V143 HydrophobicContact CB-CG1 4.3Å; E117-V143 HydrophobicContact CG-CG1 4.25Å; E117-V143 HydrophobicContact CG-CG2 4Å; E117-K162 IonicContact OE1-NZ 2.74Å; E117-K162 IonicContact OE2-NZ 3.28Å; E117-K162 PolarHBondContact OE2-NZ 2.86Å; E117-R164 IonicContact OE1-CZ 3.1Å; E117-R164 IonicContact OE1-NH1 3.92Å; E117-R164 PolarHBondContact OE1-NH1 2.83Å
118I88Confident85.7Confident109 Ų10959 Ų5956%0.55931%0.307SS*.Hα-helixtrans-73.1-44.4-178.2-62172.9000110.9N116 Q121 M122N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 2.73Å; N116-I118 PolarHBondContact OD1-N 2.8Å; N116-I118 VanDerWaalsContact OD1-N 3.16Å; I118-Q121 PolarHBondContact O-N 3.23Å; I118-M122 HydrophobicContact CG2-CE 3.75Å; I118-M122 HydrophobicContact CG2-CG 4.48Å; I118-M122 HydrophobicContact CG2-SD 4.25Å; I118-M122 WeakPolarHBondContact O-CG 3.48Å; I118-M122 PolarHBondContact O-N 3.39Å
119E89.1Confident84.7Confident82 Ų8258.2 Ų58.238%0.38330%0.303SS..Hα-helixtrans-69.2-38.1179.7-171.4174.6172.900111.4F114 P115 N116 M122 N123F114-E119 HydrophobicContact CD1-CG 4.24Å; P115-E119 WeakPolarHBondContact CG-OE2 3.38Å; N116-E119 PolarHBondContact O-N 3.3Å; N116-E119 VanDerWaalsContact OD1-CB 3.27Å; N116-E119 WeakPolarHBondContact OD1-CB 3.28Å; N116-E119 PolarHBondContact OD1-N 3.16Å; E119-M122 PolarHBondContact O-N 2.92Å; E119-N123 PolarHBondContact O-N 3.18Å; E119-N123 PolarHBondContact O-ND2 3.27Å
120M91.3Very high83.4Confident0 Ų060.6 Ų60.60%032%0.317CS..Hα-helixtrans-56.3-53.3169.3-171.2-166.468.200110.1T90 F114 N116 M122 N123 I124 V143 R164T90-M120 HydrophobicContact CG2-CB 4.5Å; T90-M120 HydrophobicContact CG2-CE 4.32Å; T90-M120 HydrophobicContact CG2-SD 3.81Å; F114-M120 HydrophobicContact CB-CB 3.75Å; F114-M120 HydrophobicContact CB-CG 4.27Å; F114-M120 HydrophobicContact CD2-CB 4.15Å; F114-M120 HydrophobicContact CD2-CG 3.88Å; F114-M120 HydrophobicContact CG-CB 3.92Å; F114-M120 HydrophobicContact CG-CG 4.18Å; N116-M120 PolarHBondContact O-N 3.34Å; N116-M120 VanDerWaalsContact O-N 3.14Å; M120-M122 PolarHBondContact O-N 3.43Å; M120-N123 PolarHBondContact O-N 3.39Å; M120-I124 HydrophobicContact CE-CD1 4.15Å; M120-I124 HydrophobicContact CG-CD1 3.89Å; M120-I124 HydrophobicContact CG-CG1 4.46Å; M120-I124 VanDerWaalsContact O-CG1 3.27Å; M120-I124 WeakPolarHBondContact O-CG1 3.32Å; M120-I124 PolarHBondContact O-N 2.87Å; M120-I124 HydrophobicContact SD-CD1 4.33Å; M120-V143 HydrophobicContact CE-CG2 3.52Å; M120-V143 HydrophobicContact SD-CG2 4.34Å; M120-R164 HydrophobicContact CE-CG 4.47Å
121Q86.9Confident81.6Confident35 Ų3563.7 Ų63.716%0.16433%0.33CS..Hα-helixtrans-59.2-45.5179.4-75.5170.823.300112.5E117 I118 N123 I124 M125 L1067E117-Q121 VanDerWaalsContact CG-NE2 3.28Å; E117-Q121 WeakPolarHBondContact O-CB 3.28Å; E117-Q121 WeakPolarHBondContact O-CG 3.44Å; E117-Q121 PolarHBondContact O-N 3.43Å; E117-Q121 VanDerWaalsContact O-N 3.09Å; E117-Q121 PolarHBondContact OE1-NE2 3.06Å; I118-Q121 PolarHBondContact O-N 3.23Å; Q121-N123 VanDerWaalsContact C-N 3.3Å; Q121-N123 PolarHBondContact O-N 3.2Å; Q121-I124 PolarHBondContact O-N 3.48Å; Q121-M125 WeakPolarHBondContact O-CB 3.4Å; Q121-M125 WeakPolarHBondContact O-CG 3.45Å; Q121-M125 PolarHBondContact O-N 3.07Å; Q121-L1067 HydrophobicContact CG-CD2 4.11Å
122M85.3Confident79.9Confident129 Ų12965.3 Ų65.364%0.63534%0.338SS*.Hα-helixtrans-59.9-39.9179.5-76.2-178.6177.600112.1I118 E119 M120 K126I118-M122 HydrophobicContact CG2-CE 3.75Å; I118-M122 HydrophobicContact CG2-CG 4.48Å; I118-M122 HydrophobicContact CG2-SD 4.25Å; I118-M122 WeakPolarHBondContact O-CG 3.48Å; I118-M122 PolarHBondContact O-N 3.39Å; E119-M122 PolarHBondContact O-N 2.92Å; M120-M122 PolarHBondContact O-N 3.43Å; M122-K126 VanDerWaalsContact O-CB 3.3Å; M122-K126 WeakPolarHBondContact O-CB 3.2Å; M122-K126 PolarHBondContact O-N 3.48Å
123N85.2Confident77.9Confident51 Ų5164.7 Ų64.727%0.27334%0.34SS..Hα-helixtrans-72.4-42.8177.8-74.8-63.8000112.4Y88 F114 E119 M120 Q121 M125 K126 E127Y88-N123 HydrophobicContact CE2-CB 4.39Å; F114-N123 HydrophobicContact CE1-CB 3.84Å; F114-N123 WeakPolarHBondContact CE1-ND2 3.5Å; F114-N123 HydrophobicContact CZ-CB 3.95Å; E119-N123 PolarHBondContact O-N 3.18Å; E119-N123 PolarHBondContact O-ND2 3.27Å; M120-N123 PolarHBondContact O-N 3.39Å; Q121-N123 VanDerWaalsContact C-N 3.3Å; Q121-N123 PolarHBondContact O-N 3.2Å; N123-M125 VanDerWaalsContact C-N 3.33Å; N123-M125 PolarHBondContact O-N 3.37Å; N123-K126 PolarHBondContact O-N 3.21Å; N123-E127 PolarHBondContact O-N 3.24Å
124I84.4Confident76.2Confident0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-59-47.2174.2-59.3171000110Y88 M120 Q121 K126 E127 M128 V138 L1067Y88-I124 HydrophobicContact CD2-CD1 4.13Å; Y88-I124 HydrophobicContact CD2-CG1 3.4Å; Y88-I124 HydrophobicContact CE2-CG1 4.02Å; Y88-I124 HydrophobicContact CG-CG1 4.26Å; M120-I124 HydrophobicContact CE-CD1 4.15Å; M120-I124 HydrophobicContact CG-CD1 3.89Å; M120-I124 HydrophobicContact CG-CG1 4.46Å; M120-I124 VanDerWaalsContact O-CG1 3.27Å; M120-I124 WeakPolarHBondContact O-CG1 3.32Å; M120-I124 PolarHBondContact O-N 2.87Å; M120-I124 HydrophobicContact SD-CD1 4.33Å; Q121-I124 PolarHBondContact O-N 3.48Å; I124-K126 PolarHBondContact O-N 3.15Å; I124-E127 PolarHBondContact O-N 3.27Å; I124-M128 HydrophobicContact CG2-CG 4.05Å; I124-M128 HydrophobicContact CG2-SD 3.63Å; I124-M128 WeakPolarHBondContact O-CB 3.28Å; I124-M128 VanDerWaalsContact O-CG 3.31Å; I124-M128 WeakPolarHBondContact O-CG 3.36Å; I124-M128 PolarHBondContact O-N 2.74Å; I124-V138 HydrophobicContact CB-CG1 4.42Å; I124-V138 HydrophobicContact CG1-CG1 4.02Å; I124-V138 HydrophobicContact CG2-CG1 3.86Å; I124-L1067 HydrophobicContact CB-CD1 4.46Å; I124-L1067 HydrophobicContact CD1-CD2 4.2Å; I124-L1067 HydrophobicContact CG2-CD1 3.52Å; I124-L1067 HydrophobicContact CG2-CD2 4.47Å
125M81.3Confident74.6Confident24 Ų2466.1 Ų66.112%0.11835%0.351CS..Hα-helixtrans-65.2-39.5-178.7-65.3-80.578.500112.2Q121 N123 E127 M128 D129 L1067 P1068 T1070Q121-M125 WeakPolarHBondContact O-CB 3.4Å; Q121-M125 WeakPolarHBondContact O-CG 3.45Å; Q121-M125 PolarHBondContact O-N 3.07Å; N123-M125 VanDerWaalsContact C-N 3.33Å; N123-M125 PolarHBondContact O-N 3.37Å; M125-E127 PolarHBondContact O-N 3.43Å; M125-M128 HydrophobicContact CE-CB 4.06Å; M125-M128 HydrophobicContact CE-CG 4.33Å; M125-M128 HydrophobicContact CE-SD 3.55Å; M125-M128 VanDerWaalsContact CE-SD 3.55Å; M125-M128 PolarHBondContact O-N 3.41Å; M125-M128 VanDerWaalsContact O-N 3.12Å; M125-D129 WeakPolarHBondContact O-CB 3.31Å; M125-D129 PolarHBondContact O-N 3.38Å; M125-L1067 HydrophobicContact CE-CB 3.92Å; M125-L1067 HydrophobicContact CE-CD1 4.12Å; M125-L1067 HydrophobicContact CE-CG 4.48Å; M125-L1067 HydrophobicContact SD-CB 4.46Å; M125-P1068 HydrophobicContact SD-CB 3.95Å; M125-P1068 HydrophobicContact SD-CG 4.19Å; M125-T1070 HydrophobicContact CE-CG2 3.99Å
126K78.9Confident73.5Confident159 Ų15963 Ų6369%0.69133%0.33SS*.Hα-helixtrans-59.1-35.8174.9-174.8-177.7177.3-172.40112.7M122 N123 I124M122-K126 VanDerWaalsContact O-CB 3.3Å; M122-K126 WeakPolarHBondContact O-CB 3.2Å; M122-K126 PolarHBondContact O-N 3.48Å; N123-K126 PolarHBondContact O-N 3.21Å; I124-K126 PolarHBondContact O-N 3.15Å
127E73Confident72.7Confident57 Ų5761.6 Ų61.627%0.26632%0.323SS..Hα-helixtrans-82-26.3176.4-67.4-176.2-135.600112.8Y88 N123 I124 M125 T130 C136 V138Y88-E127 PolarHBondContact OH-OE1 3.01Å; N123-E127 PolarHBondContact O-N 3.24Å; I124-E127 PolarHBondContact O-N 3.27Å; M125-E127 PolarHBondContact O-N 3.43Å; E127-T130 PolarHBondContact O-OG1 2.9Å; E127-C136 WeakPolarHBondContact O-CB 3.36Å; E127-V138 HydrophobicContact CB-CG2 4.49Å; E127-V138 WeakPolarHBondContact OE2-CG2 3.49Å
128M68.1Low72.2Confident29 Ų2959.4 Ų59.414%0.14331%0.313CS..Hα-helixtrans-84.8-26.1177.3-72.7-173.77800114I124 M125 T130 S166 L1067 T1070I124-M128 HydrophobicContact CG2-CG 4.05Å; I124-M128 HydrophobicContact CG2-SD 3.63Å; I124-M128 WeakPolarHBondContact O-CB 3.28Å; I124-M128 VanDerWaalsContact O-CG 3.31Å; I124-M128 WeakPolarHBondContact O-CG 3.36Å; I124-M128 PolarHBondContact O-N 2.74Å; M125-M128 HydrophobicContact CE-CB 4.06Å; M125-M128 HydrophobicContact CE-CG 4.33Å; M125-M128 HydrophobicContact CE-SD 3.55Å; M125-M128 VanDerWaalsContact CE-SD 3.55Å; M125-M128 PolarHBondContact O-N 3.41Å; M125-M128 VanDerWaalsContact O-N 3.12Å; M128-T130 PolarHBondContact O-N 2.9Å; M128-S166 VanDerWaalsContact CE-CB 3.45Å; M128-L1067 HydrophobicContact SD-CD1 3.73Å; M128-T1070 HydrophobicContact CB-CG2 4.03Å
129D64.6Low71.9Confident95 Ų9555 Ų5551%0.50829%0.289SS..SBendtrans-70.7-6.8177.4-80.9-18.9000112.7M125 L131M125-D129 WeakPolarHBondContact O-CB 3.31Å; M125-D129 PolarHBondContact O-N 3.38Å; D129-L131 PolarHBondContact O-N 2.94Å
130T58Low71.8Confident63 Ų6351.1 Ų51.139%0.38727%0.272SS..SBendtrans-67.4118.8167.654.20000108.9E127 M128 D132 S135E127-T130 PolarHBondContact O-OG1 2.9Å; M128-T130 PolarHBondContact O-N 2.9Å; T130-D132 PolarHBondContact O-N 3.05Å; T130-S135 WeakPolarHBondContact CB-OG 3.39Å; T130-S135 PolarHBondContact OG1-OG 2.98Å
131L50Low71.7Confident123 Ų12351.1 Ų51.164%0.64427%0.272SS*.SBendtrans-56.4-9.8-179.5-77.9157.3000114.8D129 P133 F1267D129-L131 PolarHBondContact O-N 2.94Å; L131-P133 VanDerWaalsContact O-CD 3.28Å; L131-P133 WeakPolarHBondContact O-CD 3.39Å; L131-F1267 VanDerWaalsContact O-CZ 3.3Å; L131-F1267 WeakPolarHBondContact O-CZ 3.39Å
132D54.3Low72.1Confident72 Ų7249.4 Ų49.439%0.38526%0.264SS..  trans-90.6104.2171.7179.67.4000110.7T130 C134 S135T130-D132 PolarHBondContact O-N 3.05Å; D132-C134 PolarHBondContact O-N 2.9Å; D132-C134 VanDerWaalsContact O-N 3.12Å; D132-C134 WeakPolarHBondContact OD1-CA 3.48Å; D132-C134 VanDerWaalsContact OD1-CB 3.26Å; D132-C134 WeakPolarHBondContact OD1-CB 3.33Å; D132-C134 PolarHBondContact OD1-N 3.37Å; D132-S135 WeakPolarHBondContact CB-OG 3.17Å; D132-S135 PolarHBondContact O-N 3.33Å; D132-S135 PolarHBondContact O-OG 2.82Å; D132-S135 WeakPolarHBondContact OD2-CB 3.47Å
133P50.2Low72.5Confident65 Ų6543.6 Ų43.642%0.42224%0.235SC..THydrogen-bonded Turntrans-62.6-18177.825.9-33.2000113L131L131-P133 VanDerWaalsContact O-CD 3.28Å; L131-P133 WeakPolarHBondContact O-CD 3.39Å
134C55.3Low72.8Confident48 Ų4841.2 Ų41.232%0.32422%0.223SC..THydrogen-bonded Turntrans-88.9-9.7177.4-43.60000112.8C81 D132C81-C134 HydrophobicContact CB-CB 3.42Å; C81-C134 VanDerWaalsContact CB-CB 3.42Å; C81-C134 WeakPolarHBondContact CB-SG 3.44Å; C81-C134 WeakPolarHBondContact SG-CB 3.33Å; C81-C134 CovalentContact SG-SG 2.03Å; C81-C134 PolarHBondContact SG-SG 3.26Å; D132-C134 PolarHBondContact O-N 2.9Å; D132-C134 VanDerWaalsContact O-N 3.12Å; D132-C134 WeakPolarHBondContact OD1-CA 3.48Å; D132-C134 VanDerWaalsContact OD1-CB 3.26Å; D132-C134 WeakPolarHBondContact OD1-CB 3.33Å; D132-C134 PolarHBondContact OD1-N 3.37Å
135S58.1Low73Confident54 Ų5442.9 Ų42.938%0.37823%0.23SC..THydrogen-bonded Turntrans-87.3-13.9177.269.60000113.9T130 D132 D137T130-S135 WeakPolarHBondContact CB-OG 3.39Å; T130-S135 PolarHBondContact OG1-OG 2.98Å; D132-S135 WeakPolarHBondContact CB-OG 3.17Å; D132-S135 PolarHBondContact O-N 3.33Å; D132-S135 PolarHBondContact O-OG 2.82Å; D132-S135 WeakPolarHBondContact OD2-CB 3.47Å; S135-D137 PolarHBondContact O-N 3.33Å
136C62.8Low72.9Confident8 Ų849 Ų495%0.05426%0.263CS..  trans-91.199.2-179.6-174.70000110.7E127 V138E127-C136 WeakPolarHBondContact O-CB 3.36Å; C136-V138 PolarHBondContact O-N 3.46Å
137D72.6Confident72.8Confident45 Ų4543 Ų4324%0.24125%0.246CC..  trans-67.5-11.2171.6-71.1-8.7000111.8P84 F85 R86 S135 Y139P84-D137 WeakPolarHBondContact O-CB 3.31Å; P84-D137 VanDerWaalsContact O-CG 3.24Å; F85-D137 CarbonylContact C-O 3.48Å; F85-D137 WeakPolarHBondContact CA-O 3.38Å; F85-D137 VanDerWaalsContact CB-O 3.3Å; F85-D137 WeakPolarHBondContact CB-O 3.31Å; R86-D137 HydrophobicContact CG-CB 4.24Å; R86-D137 PolarHBondContact N-O 2.87Å; R86-D137 IonicContact NH2-OD2 3.21Å; S135-D137 PolarHBondContact O-N 3.33Å; D137-Y139 PolarHBondContact O-N 3.42Å
138V78.9Confident73.3Confident0 Ų040.5 Ų40.50%024%0.235CC..EExtended strand (participates in β ladder)trans-82.3119.7-173.8178.90000111.8Y88 I124 E127 C136 R170Y88-V138 HydrophobicContact CD2-CG1 4.32Å; Y88-V138 HydrophobicContact CE1-CG2 4.02Å; Y88-V138 HydrophobicContact CE2-CG1 4.34Å; Y88-V138 HydrophobicContact CE2-CG2 3.81Å; Y88-V138 HydrophobicContact CG-CG1 4.5Å; I124-V138 HydrophobicContact CB-CG1 4.42Å; I124-V138 HydrophobicContact CG1-CG1 4.02Å; I124-V138 HydrophobicContact CG2-CG1 3.86Å; E127-V138 HydrophobicContact CB-CG2 4.49Å; E127-V138 WeakPolarHBondContact OE2-CG2 3.49Å; C136-V138 PolarHBondContact O-N 3.46Å; V138-R170 PolarHBondContact O-NH1 2.83Å
139Y80.8Confident73.7Confident15 Ų1540.6 Ų40.66%0.05924%0.237CC..EExtended strand (participates in β ladder)trans-75.5-45.4176.9-172.8-106.4000112F68 F85 R86 I87 D137 L165 R170 E223 G224 L228F68-Y139 AromaticContact CE1-CE2 3.86Å; F68-Y139 HydrophobicContact CE1-CE2 3.86Å; F68-Y139 AromaticContact CE1-CZ 3.77Å; F68-Y139 VanDerWaalsContact CE1-OH 3.26Å; F68-Y139 WeakPolarHBondContact CE1-OH 3.2Å; F68-Y139 HydrophobicContact CZ-CE1 4.36Å; F68-Y139 HydrophobicContact CZ-CE2 4.12Å; F68-Y139 AromaticContact CZ-CZ 3.74Å; F68-Y139 WeakPolarHBondContact CZ-OH 3.44Å; F85-Y139 AromaticContact CD2-CD2 3.92Å; F85-Y139 HydrophobicContact CD2-CD2 3.92Å; F85-Y139 HydrophobicContact CD2-CG 4Å; F85-Y139 HydrophobicContact CE2-CD2 4.25Å; F85-Y139 HydrophobicContact CE2-CG 4.5Å; R86-Y139 WeakPolarHBondContact O-CB 3.44Å; R86-Y139 PolarHBondContact O-N 3.37Å; I87-Y139 HydrophobicContact CD1-CD1 4.48Å; I87-Y139 HydrophobicContact CG1-CD1 4.16Å; D137-Y139 PolarHBondContact O-N 3.42Å; Y139-L165 HydrophobicContact CD1-CD2 4.28Å; Y139-L165 HydrophobicContact CE1-CD2 4.13Å; Y139-R170 PolarHBondContact O-NH2 2.83Å; Y139-E223 PolarHBondContact OH-O 2.95Å; Y139-G224 WeakPolarHBondContact OH-CA 3.47Å; Y139-G224 PolarHBondContact OH-O 2.79Å; Y139-L228 HydrophobicContact CD1-CD2 4.4Å; Y139-L228 HydrophobicContact CE1-CB 4.42Å; Y139-L228 HydrophobicContact CE1-CD2 4.13Å
140G87.5Confident74.3Confident1 Ų142 Ų421%0.0124%0.244CC..EExtended strand (participates in β ladder)trans163.8-172.4-179.300000113.1Y88 R164Y88-G140 PolarHBondContact N-O 2.92Å; G140-R164 WeakPolarHBondContact CA-O 3.27Å
141G90.7Very high75Confident0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-121.2143.4-176.200000114.8Y88 R164Y88-G141 CarbonylContact O-C 3.54Å; Y88-G141 VanDerWaalsContact O-CA 3.22Å; Y88-G141 WeakPolarHBondContact O-CA 3.33Å; G141-R164 PolarHBondContact N-O 3.19Å; G141-R164 PolarHBondContact O-N 3.35Å
142V94.1Very high76.2Confident0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-114118171.5-179.10000110I87 Y88 Y89 T90 M100 F144 Y161 K162 L228 V232I87-V142 HydrophobicContact CG2-CG2 4.26Å; Y88-V142 PolarHBondContact O-N 3.37Å; Y89-V142 CarbonylContact C-O 3.57Å; Y89-V142 WeakPolarHBondContact CA-O 3.31Å; Y89-V142 WeakPolarHBondContact CB-O 3.38Å; T90-V142 PolarHBondContact N-O 2.8Å; M100-V142 HydrophobicContact CE-CB 4.35Å; M100-V142 HydrophobicContact CE-CG2 4.11Å; M100-V142 HydrophobicContact SD-CB 4.19Å; M100-V142 HydrophobicContact SD-CG1 4.2Å; M100-V142 HydrophobicContact SD-CG2 4.33Å; V142-F144 HydrophobicContact CG1-CE1 4.38Å; V142-F144 HydrophobicContact CG1-CE2 4.01Å; V142-F144 HydrophobicContact CG1-CZ 3.93Å; V142-Y161 HydrophobicContact CG1-CD2 3.97Å; V142-K162 CarbonylContact C-O 3.51Å; V142-K162 WeakPolarHBondContact CA-O 3.41Å; V142-L228 HydrophobicContact CG2-CD1 4.3Å; V142-L228 HydrophobicContact CG2-CD2 4.16Å; V142-L228 HydrophobicContact CG2-CG 4.43Å; V142-V232 HydrophobicContact CG2-CG2 4.35Å
143V93.4Very high77Confident6 Ų638.8 Ų38.84%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-109.2107.8-178.7-179.30000109.3T90 E117 M120 Y161 K162 R164T90-V143 HydrophobicContact CG2-CB 4.08Å; T90-V143 HydrophobicContact CG2-CG1 3.99Å; T90-V143 HydrophobicContact CG2-CG2 3.73Å; T90-V143 CarbonylContact O-C 3.58Å; T90-V143 WeakPolarHBondContact O-CA 3.42Å; E117-V143 HydrophobicContact CB-CG1 4.3Å; E117-V143 HydrophobicContact CG-CG1 4.25Å; E117-V143 HydrophobicContact CG-CG2 4Å; M120-V143 HydrophobicContact CE-CG2 3.52Å; M120-V143 HydrophobicContact SD-CG2 4.34Å; V143-Y161 CarbonylContact O-C 3.53Å; V143-Y161 VanDerWaalsContact O-CA 3.23Å; V143-Y161 WeakPolarHBondContact O-CA 3.48Å; V143-K162 HydrophobicContact CB-CB 4.1Å; V143-K162 HydrophobicContact CB-CD 4.3Å; V143-K162 HydrophobicContact CB-CG 4.33Å; V143-K162 HydrophobicContact CG1-CD 4.27Å; V143-K162 PolarHBondContact N-O 2.95Å; V143-K162 PolarHBondContact O-N 3.16Å; V143-R164 HydrophobicContact CG2-CG 4.04Å
144F92.9Very high77.9Confident2 Ų237.9 Ų37.91%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-75.8131.1168.2-57.6-82.9000108.8Y89 T90 P91 T96 I99 M100 V142 F148 V232Y89-F144 HydrophobicContact CD2-CE2 4.31Å; T90-F144 PolarHBondContact O-N 2.83Å; P91-F144 WeakPolarHBondContact CD-O 3.49Å; T96-F144 HydrophobicContact CG2-CB 4.06Å; T96-F144 HydrophobicContact CG2-CD1 4.23Å; T96-F144 HydrophobicContact CG2-CD2 3.47Å; T96-F144 VanDerWaalsContact CG2-CD2 3.47Å; T96-F144 HydrophobicContact CG2-CE2 3.91Å; T96-F144 HydrophobicContact CG2-CG 3.65Å; T96-F144 HydrophobicContact CG2-CZ 4.45Å; I99-F144 HydrophobicContact CD1-CE1 4.42Å; I99-F144 HydrophobicContact CG2-CE1 4.36Å; I99-F144 HydrophobicContact CG2-CZ 4.03Å; M100-F144 HydrophobicContact CG-CE2 3.8Å; M100-F144 HydrophobicContact CG-CZ 3.98Å; M100-F144 HydrophobicContact SD-CE2 4.08Å; M100-F144 HydrophobicContact SD-CZ 3.89Å; V142-F144 HydrophobicContact CG1-CE1 4.38Å; V142-F144 HydrophobicContact CG1-CE2 4.01Å; V142-F144 HydrophobicContact CG1-CZ 3.93Å; F144-F148 HydrophobicContact CB-CB 4.02Å; F144-F148 HydrophobicContact CB-CD1 4.22Å; F144-F148 HydrophobicContact CB-CD2 4.18Å; F144-F148 HydrophobicContact CB-CG 3.89Å; F144-F148 HydrophobicContact CD1-CD1 4.07Å; F144-F148 AromaticContact CD1-CD2 3.9Å; F144-F148 HydrophobicContact CD1-CD2 3.9Å; F144-F148 AromaticContact CD1-CE1 3.82Å; F144-F148 HydrophobicContact CD1-CE1 3.82Å; F144-F148 AromaticContact CD1-CE2 3.64Å; F144-F148 HydrophobicContact CD1-CE2 3.64Å; F144-F148 HydrophobicContact CD1-CG 4.11Å; F144-F148 AromaticContact CD1-CZ 3.61Å; F144-F148 HydrophobicContact CD1-CZ 3.61Å; F144-F148 HydrophobicContact CE1-CE1 4.26Å; F144-F148 HydrophobicContact CE1-CE2 4.27Å; F144-F148 AromaticContact CE1-CZ 3.92Å; F144-F148 HydrophobicContact CE1-CZ 3.92Å; F144-F148 HydrophobicContact CG-CD1 4.36Å; F144-F148 HydrophobicContact CG-CE1 4.48Å; F144-F148 HydrophobicContact CG-CG 4.38Å; F144-V232 HydrophobicContact CE1-CG1 4.47Å
145E88.6Confident78.3Confident35 Ų3540.4 Ų40.416%0.16423%0.231CC..PPolyproline II helixtrans-67157.5-177.1-77-166.1166.300113.4G147 F148 R160 I1063E145-G147 PolarHBondContact O-N 3.34Å; E145-F148 WeakPolarHBondContact O-CB 3.35Å; E145-F148 PolarHBondContact O-N 3.01Å; E145-R160 HydrophobicContact CG-CB 4.11Å; E145-R160 PolarHBondContact N-O 2.96Å; E145-R160 VanDerWaalsContact N-O 3.16Å; E145-R160 IonicContact OE1-CZ 3.97Å; E145-R160 IonicContact OE1-NE 4Å; E145-R160 IonicContact OE1-NH2 3.66Å; E145-R160 WeakPolarHBondContact OE2-CB 3.38Å; E145-R160 IonicContact OE2-CZ 2.8Å; E145-R160 IonicContact OE2-NE 3.97Å; E145-R160 PolarHBondContact OE2-NE 3.04Å; E145-R160 IonicContact OE2-NH2 2.65Å; E145-R160 PolarHBondContact OE2-NH2 3.39Å; E145-I1063 WeakPolarHBondContact OE1-CD1 3.43Å
146D78.1Confident78.6Confident152 Ų15240.1 Ų40.181%0.81324%0.237SC*.THydrogen-bonded Turntrans-55.2129.1174.9-64.4-34.4000111.4
147G76.2Confident79.2Confident32 Ų3240.3 Ų40.333%0.3324%0.238SC..THydrogen-bonded Turntrans818.5-174.400000114.8E145 V149 N150 K151E145-G147 PolarHBondContact O-N 3.34Å; G147-V149 VanDerWaalsContact C-N 3.29Å; G147-V149 PolarHBondContact O-N 2.79Å; G147-N150 PolarHBondContact O-N 2.81Å; G147-N150 VanDerWaalsContact O-N 3.16Å; G147-K151 WeakPolarHBondContact O-CB 3.43Å; G147-K151 WeakPolarHBondContact O-CG 3.32Å; G147-K151 PolarHBondContact O-N 3.43Å
148F84.1Confident79.7Confident6 Ų640.9 Ų40.93%0.02624%0.242CC..Hα-helixtrans-50.1-47.2173.9180-92000112.5T96 I99 F144 E145 K151 L152 L159 I236T96-F148 HydrophobicContact CG2-CD1 3.97Å; T96-F148 HydrophobicContact CG2-CE1 4.17Å; I99-F148 HydrophobicContact CD1-CE1 3.71Å; I99-F148 HydrophobicContact CD1-CZ 3.93Å; F144-F148 HydrophobicContact CB-CB 4.02Å; F144-F148 HydrophobicContact CB-CD1 4.22Å; F144-F148 HydrophobicContact CB-CD2 4.18Å; F144-F148 HydrophobicContact CB-CG 3.89Å; F144-F148 HydrophobicContact CD1-CD1 4.07Å; F144-F148 AromaticContact CD1-CD2 3.9Å; F144-F148 HydrophobicContact CD1-CD2 3.9Å; F144-F148 AromaticContact CD1-CE1 3.82Å; F144-F148 HydrophobicContact CD1-CE1 3.82Å; F144-F148 AromaticContact CD1-CE2 3.64Å; F144-F148 HydrophobicContact CD1-CE2 3.64Å; F144-F148 HydrophobicContact CD1-CG 4.11Å; F144-F148 AromaticContact CD1-CZ 3.61Å; F144-F148 HydrophobicContact CD1-CZ 3.61Å; F144-F148 HydrophobicContact CE1-CE1 4.26Å; F144-F148 HydrophobicContact CE1-CE2 4.27Å; F144-F148 AromaticContact CE1-CZ 3.92Å; F144-F148 HydrophobicContact CE1-CZ 3.92Å; F144-F148 HydrophobicContact CG-CD1 4.36Å; F144-F148 HydrophobicContact CG-CE1 4.48Å; F144-F148 HydrophobicContact CG-CG 4.38Å; E145-F148 WeakPolarHBondContact O-CB 3.35Å; E145-F148 PolarHBondContact O-N 3.01Å; F148-K151 CarbonylContact O-C 3.53Å; F148-K151 WeakPolarHBondContact O-CB 3.34Å; F148-K151 PolarHBondContact O-N 3.12Å; F148-L152 HydrophobicContact CD1-CD1 4.39Å; F148-L152 HydrophobicContact CE1-CD1 3.7Å; F148-L152 HydrophobicContact CZ-CD1 3.95Å; F148-L152 WeakPolarHBondContact O-CB 3.43Å; F148-L152 PolarHBondContact O-N 3.45Å; F148-L159 HydrophobicContact CD2-CB 4.44Å; F148-L159 HydrophobicContact CD2-CD2 4.39Å; F148-L159 HydrophobicContact CE2-CB 3.91Å; F148-L159 HydrophobicContact CE2-CD2 4.24Å; F148-I236 HydrophobicContact CE2-CD1 4.48Å; F148-I236 HydrophobicContact CZ-CD1 4.24Å; F148-I236 HydrophobicContact CZ-CG1 4.39Å
149V76.6Confident80.2Confident30 Ų3040.9 Ų40.918%0.18224%0.242CC..Hα-helixtrans-65.1-43.7177.8-179.80000112.3T93 E95 G147 K151 L152 N153T93-V149 HydrophobicContact CG2-CG2 3.74Å; T93-V149 WeakPolarHBondContact OG1-CG2 3.47Å; E95-V149 HydrophobicContact CG-CG1 4.25Å; E95-V149 WeakPolarHBondContact OE2-CG1 3.29Å; E95-V149 WeakPolarHBondContact OE2-CG2 3.42Å; G147-V149 VanDerWaalsContact C-N 3.29Å; G147-V149 PolarHBondContact O-N 2.79Å; V149-K151 PolarHBondContact O-N 3.49Å; V149-L152 WeakPolarHBondContact O-CB 3.41Å; V149-L152 PolarHBondContact O-N 2.92Å; V149-L152 VanDerWaalsContact O-N 3.16Å; V149-N153 PolarHBondContact O-N 2.48Å
150N76.9Confident80.7Confident124 Ų12444.7 Ų44.766%0.66326%0.256SS*.Hα-helixtrans-60.2-39.1175.2-69.1-12.6000110.7G147 N153 S154G147-N150 PolarHBondContact O-N 2.81Å; G147-N150 VanDerWaalsContact O-N 3.16Å; N150-N153 PolarHBondContact O-N 2.69Å; N150-S154 WeakPolarHBondContact O-CB 3.28Å; N150-S154 PolarHBondContact O-N 3.35Å; N150-S154 VanDerWaalsContact O-N 3.08Å
151K74.2Confident81.1Confident60 Ų6044.6 Ų44.626%0.26126%0.255SS..Hα-helixtrans-69.2-38.1177-74.1178.7-179.21770112.1G147 F148 V149 N153 S154 S157 N158 L159G147-K151 WeakPolarHBondContact O-CB 3.43Å; G147-K151 WeakPolarHBondContact O-CG 3.32Å; G147-K151 PolarHBondContact O-N 3.43Å; F148-K151 CarbonylContact O-C 3.53Å; F148-K151 WeakPolarHBondContact O-CB 3.34Å; F148-K151 PolarHBondContact O-N 3.12Å; V149-K151 PolarHBondContact O-N 3.49Å; K151-N153 PolarHBondContact O-N 2.82Å; K151-S154 WeakPolarHBondContact CA-OG 3.27Å; K151-S154 PolarHBondContact O-N 3Å; K151-S154 VanDerWaalsContact O-O 3.1Å; K151-S154 PolarHBondContact O-OG 2.64Å; K151-S157 WeakPolarHBondContact O-CB 3.49Å; K151-S157 PolarHBondContact O-OG 3.42Å; K151-N158 WeakPolarHBondContact CD-O 3.36Å; K151-L159 HydrophobicContact CB-CD2 3.88Å
152L73.4Confident81.3Confident13 Ų1346.3 Ų46.37%0.06826%0.263CS..Hα-helixtrans-52.2-41.9174.6-150.290.9000111.5E95 F148 V149 L159 M239 L240 R1058E95-L152 HydrophobicContact CB-CD2 3.98Å; E95-L152 HydrophobicContact CG-CD2 3.81Å; F148-L152 HydrophobicContact CD1-CD1 4.39Å; F148-L152 HydrophobicContact CE1-CD1 3.7Å; F148-L152 HydrophobicContact CZ-CD1 3.95Å; F148-L152 WeakPolarHBondContact O-CB 3.43Å; F148-L152 PolarHBondContact O-N 3.45Å; V149-L152 WeakPolarHBondContact O-CB 3.41Å; V149-L152 PolarHBondContact O-N 2.92Å; V149-L152 VanDerWaalsContact O-N 3.16Å; L152-L159 HydrophobicContact CD1-CD1 4.04Å; L152-L159 HydrophobicContact CD1-CD2 4.09Å; L152-M239 HydrophobicContact CD1-CE 3.43Å; L152-M239 VanDerWaalsContact CD1-CE 3.43Å; L152-M239 HydrophobicContact CD2-CE 3.46Å; L152-M239 VanDerWaalsContact CD2-CE 3.46Å; L152-M239 HydrophobicContact CD2-SD 4.18Å; L152-M239 HydrophobicContact CG-CE 3.95Å; L152-L240 HydrophobicContact CD1-CD2 3.97Å; L152-L240 HydrophobicContact CG-CD2 3.87Å; L152-R1058 PolarHBondContact O-NH2 2.85Å; L152-R1058 VanDerWaalsContact O-NH2 3.09Å
153N72Confident81.3Confident119 Ų11946.3 Ų46.364%0.63626%0.263SS*.Hα-helixtrans-84.6-16.2178.4-65.7-24.2000113.7V149 N150 K151V149-N153 PolarHBondContact O-N 2.48Å; N150-N153 PolarHBondContact O-N 2.69Å; K151-N153 PolarHBondContact O-N 2.82Å
154S69.6Low81.1Confident46 Ų4646.6 Ų46.632%0.32226%0.263SS..SBendtrans-87.9143.8-179.372.90000112.5N150 K151 S157N150-S154 WeakPolarHBondContact O-CB 3.28Å; N150-S154 PolarHBondContact O-N 3.35Å; N150-S154 VanDerWaalsContact O-N 3.08Å; K151-S154 WeakPolarHBondContact CA-OG 3.27Å; K151-S154 PolarHBondContact O-N 3Å; K151-S154 VanDerWaalsContact O-O 3.1Å; K151-S154 PolarHBondContact O-OG 2.64Å; S154-S157 PolarHBondContact O-OG 3.2Å; S154-S157 WeakPolarHBondContact OG-CB 3.36Å
155V62.8Low80.9Confident100 Ų10046.5 Ų46.561%0.60626%0.263SS*.THydrogen-bonded Turntrans-78.8138-178.7-172.70000110.1S157 E1056V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.8Å; V155-E1056 HydrophobicContact CG1-CB 3.64Å; V155-E1056 HydrophobicContact CG1-CG 3.65Å; V155-E1056 WeakPolarHBondContact CG1-OE2 3.18Å
156G65.6Low80.4Confident49 Ų4945 Ų4551%0.50526%0.256SS..THydrogen-bonded Turntrans71.121.2179.300000115.6
157S75.5Confident80.4Confident11 Ų1137.8 Ų37.88%0.07722%0.217CC..  trans-86.6147.5-170.973.30000113.9K151 S154 V155 S1059K151-S157 WeakPolarHBondContact O-CB 3.49Å; K151-S157 PolarHBondContact O-OG 3.42Å; S154-S157 PolarHBondContact O-OG 3.2Å; S154-S157 WeakPolarHBondContact OG-CB 3.36Å; V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.8Å; S157-S1059 PolarHBondContact O-N 3.01Å
158N82.4Confident80.2Confident57 Ų5736.8 Ų36.831%0.30521%0.205SC..EExtended strand (participates in β ladder)trans-96.6111.5169.6-176.91.5000109.5K151 S1059 T1061K151-N158 WeakPolarHBondContact CD-O 3.36Å; N158-S1059 CarbonylContact C-O 3.49Å; N158-S1059 WeakPolarHBondContact CA-O 3.47Å; N158-S1059 PolarHBondContact OD1-O 3.46Å; N158-S1059 PolarHBondContact OD1-OG 2.63Å; N158-T1061 VanDerWaalsContact CG-OG1 3.23Å; N158-T1061 PolarHBondContact ND2-OG1 2.8Å; N158-T1061 PolarHBondContact OD1-OG1 3.04Å
159L88.9Confident79.4Confident0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-82.5117.9178.8-61.9177.8000109.6F148 K151 L152 I236 L240 S1059 I1060 T1061F148-L159 HydrophobicContact CD2-CB 4.44Å; F148-L159 HydrophobicContact CD2-CD2 4.39Å; F148-L159 HydrophobicContact CE2-CB 3.91Å; F148-L159 HydrophobicContact CE2-CD2 4.24Å; K151-L159 HydrophobicContact CB-CD2 3.88Å; L152-L159 HydrophobicContact CD1-CD1 4.04Å; L152-L159 HydrophobicContact CD1-CD2 4.09Å; L159-I236 HydrophobicContact CD1-CG2 3.79Å; L159-L240 HydrophobicContact CD1-CD1 3.66Å; L159-L240 HydrophobicContact CD1-CD2 4.47Å; L159-S1059 PolarHBondContact N-O 3Å; L159-I1060 HydrophobicContact CB-CG1 4.43Å; L159-I1060 CarbonylContact O-C 3.58Å; L159-I1060 WeakPolarHBondContact O-CA 3.39Å; L159-T1061 PolarHBondContact O-N 3.19Å
160R92.1Very high78.8Confident95 Ų9538.7 Ų38.736%0.35821%0.21SC..EExtended strand (participates in β ladder)trans-118.8132.9-174.4-52.2-165.7-63.5-170.92.5111.1E145 T1061E145-R160 HydrophobicContact CG-CB 4.11Å; E145-R160 PolarHBondContact N-O 2.96Å; E145-R160 VanDerWaalsContact N-O 3.16Å; E145-R160 IonicContact OE1-CZ 3.97Å; E145-R160 IonicContact OE1-NE 4Å; E145-R160 IonicContact OE1-NH2 3.66Å; E145-R160 WeakPolarHBondContact OE2-CB 3.38Å; E145-R160 IonicContact OE2-CZ 2.8Å; E145-R160 IonicContact OE2-NE 3.97Å; E145-R160 PolarHBondContact OE2-NE 3.04Å; E145-R160 IonicContact OE2-NH2 2.65Å; E145-R160 PolarHBondContact OE2-NH2 3.39Å; R160-T1061 WeakPolarHBondContact CA-O 3.33Å
161Y94.7Very high78Confident0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-140.1157.5172.372.2-86.1000110.6V142 V143 I163 Q229 V232 D233 I236 I1060 T1061 T1062 I1063V142-Y161 HydrophobicContact CG1-CD2 3.97Å; V143-Y161 CarbonylContact O-C 3.53Å; V143-Y161 VanDerWaalsContact O-CA 3.23Å; V143-Y161 WeakPolarHBondContact O-CA 3.48Å; Y161-I163 HydrophobicContact CD2-CG1 4.15Å; Y161-I163 HydrophobicContact CE2-CD1 3.94Å; Y161-I163 HydrophobicContact CE2-CG1 3.67Å; Y161-Q229 PolarHBondContact OH-O 3.5Å; Y161-V232 HydrophobicContact CD1-CG1 4.19Å; Y161-V232 HydrophobicContact CD2-CG1 4.07Å; Y161-V232 HydrophobicContact CE1-CG1 3.83Å; Y161-V232 HydrophobicContact CE2-CB 4.12Å; Y161-V232 HydrophobicContact CE2-CG1 3.69Å; Y161-V232 HydrophobicContact CG-CG1 4.3Å; Y161-D233 WeakPolarHBondContact CE1-OD1 3.38Å; Y161-D233 VanDerWaalsContact CZ-OD1 3.25Å; Y161-D233 PolarHBondContact OH-OD1 3.05Å; Y161-I236 HydrophobicContact CD1-CD1 4.1Å; Y161-I236 HydrophobicContact CE1-CD1 4.13Å; Y161-I1060 HydrophobicContact CD1-CG2 4.19Å; Y161-I1060 HydrophobicContact CE1-CG2 3.66Å; Y161-T1061 PolarHBondContact N-O 2.91Å; Y161-T1062 HydrophobicContact CE1-CG2 4.46Å; Y161-T1062 HydrophobicContact CE2-CG2 3.75Å; Y161-T1062 PolarHBondContact OH-OG1 3.08Å; Y161-T1062 VanDerWaalsContact OH-OG1 3.05Å; Y161-I1063 PolarHBondContact O-N 3.2Å
162K94.5Very high77Confident36 Ų3632.8 Ų32.816%0.15718%0.18CC..EExtended strand (participates in β ladder)trans-114.1135.4-179.8-38.2172.4-169.6159.40109.7E117 V142 V143 I1063 H1065E117-K162 IonicContact OE1-NZ 2.74Å; E117-K162 IonicContact OE2-NZ 3.28Å; E117-K162 PolarHBondContact OE2-NZ 2.86Å; V142-K162 CarbonylContact C-O 3.51Å; V142-K162 WeakPolarHBondContact CA-O 3.41Å; V143-K162 HydrophobicContact CB-CB 4.1Å; V143-K162 HydrophobicContact CB-CD 4.3Å; V143-K162 HydrophobicContact CB-CG 4.33Å; V143-K162 HydrophobicContact CG1-CD 4.27Å; V143-K162 PolarHBondContact N-O 2.95Å; V143-K162 PolarHBondContact O-N 3.16Å; K162-I1063 CarbonylContact C-O 3.42Å; K162-I1063 VanDerWaalsContact CA-O 3.25Å; K162-I1063 WeakPolarHBondContact CA-O 3.38Å; K162-I1063 HydrophobicContact CB-CB 4.18Å; K162-I1063 HydrophobicContact CB-CG2 4.46Å; K162-I1063 HydrophobicContact CG-CB 4.03Å; K162-I1063 HydrophobicContact CG-CD1 4.2Å; K162-I1063 HydrophobicContact CG-CG2 4.22Å; K162-H1065 HydrophobicContact CB-CB 4.23Å; K162-H1065 HydrophobicContact CD-CB 4.47Å
163I94.2Very high75.8Confident0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-97.9128168-60.6178.2000107.9Y161 L165 F225 L228 Q229 T1062 I1063 H1065Y161-I163 HydrophobicContact CD2-CG1 4.15Å; Y161-I163 HydrophobicContact CE2-CD1 3.94Å; Y161-I163 HydrophobicContact CE2-CG1 3.67Å; I163-L165 HydrophobicContact CG2-CD2 4.14Å; I163-L165 HydrophobicContact CG2-CG 3.91Å; I163-F225 HydrophobicContact CB-CD2 4.35Å; I163-F225 HydrophobicContact CB-CE2 3.64Å; I163-F225 HydrophobicContact CB-CZ 3.92Å; I163-F225 HydrophobicContact CD1-CD1 4.4Å; I163-F225 HydrophobicContact CD1-CE1 3.95Å; I163-F225 HydrophobicContact CD1-CE2 4.16Å; I163-F225 HydrophobicContact CD1-CZ 3.81Å; I163-F225 HydrophobicContact CG1-CE2 4.46Å; I163-F225 HydrophobicContact CG1-CZ 4.33Å; I163-F225 HydrophobicContact CG2-CD2 3.82Å; I163-F225 HydrophobicContact CG2-CE2 3.59Å; I163-F225 HydrophobicContact CG2-CZ 4.28Å; I163-L228 HydrophobicContact CD1-CG 4.38Å; I163-L228 HydrophobicContact CG2-CD2 3.84Å; I163-Q229 HydrophobicContact CD1-CB 3.86Å; I163-T1062 HydrophobicContact CD1-CG2 3.8Å; I163-T1062 HydrophobicContact CG1-CG2 4.15Å; I163-I1063 PolarHBondContact N-O 2.9Å; I163-H1065 CarbonylContact O-C 3.59Å; I163-H1065 PolarHBondContact O-N 3.09Å
164R90.8Very high74.3Confident12 Ų1233.7 Ų33.75%0.04518%0.184CC..EExtended strand (participates in β ladder)trans-119.287.1-179.5-52.8-153.370.7126.55.6110.3E117 M120 G140 G141 V143 H1065 P1066 L1067E117-R164 IonicContact OE1-CZ 3.1Å; E117-R164 IonicContact OE1-NH1 3.92Å; E117-R164 PolarHBondContact OE1-NH1 2.83Å; M120-R164 HydrophobicContact CE-CG 4.47Å; G140-R164 WeakPolarHBondContact CA-O 3.27Å; G141-R164 PolarHBondContact N-O 3.19Å; G141-R164 PolarHBondContact O-N 3.35Å; V143-R164 HydrophobicContact CG2-CG 4.04Å; R164-H1065 VanDerWaalsContact CA-O 3.3Å; R164-H1065 WeakPolarHBondContact CA-O 3.43Å; R164-H1065 WeakPolarHBondContact CB-O 3.42Å; R164-H1065 VanDerWaalsContact CG-O 3.27Å; R164-H1065 WeakPolarHBondContact CG-O 3.43Å; R164-H1065 PolarHBondContact NE-O 3.38Å; R164-H1065 VanDerWaalsContact NE-O 3.16Å; R164-H1065 PolarHBondContact NH1-CE1 2.97Å; R164-H1065 PolarHBondContact NH1-ND1 3.24Å; R164-H1065 PolarHBondContact NH1-NE2 3.4Å; R164-H1065 PolarHBondContact NH2-CD2 2.87Å; R164-H1065 PolarHBondContact NH2-NE2 2.96Å; R164-P1066 PolarHBondContact NH2-O 2.79Å; R164-L1067 HydrophobicContact CB-CD2 4.01Å; R164-L1067 HydrophobicContact CB-CG 4.15Å
165L88.1Confident72.6Confident0 Ų038.2 Ų38.20%020%0.2CC..  trans-90.1175.9169.3-58.8-171.7000110.8Y139 I163 W193 E223 F225 L228 L1067Y139-L165 HydrophobicContact CD1-CD2 4.28Å; Y139-L165 HydrophobicContact CE1-CD2 4.13Å; I163-L165 HydrophobicContact CG2-CD2 4.14Å; I163-L165 HydrophobicContact CG2-CG 3.91Å; L165-W193 HydrophobicContact CB-CZ2 3.8Å; L165-W193 HydrophobicContact CD1-CH2 3.87Å; L165-W193 HydrophobicContact CD1-CZ2 3.7Å; L165-W193 HydrophobicContact CG-CZ2 4.27Å; L165-E223 HydrophobicContact CD1-CB 4.31Å; L165-F225 HydrophobicContact CD1-CB 3.87Å; L165-F225 HydrophobicContact CD1-CD2 3.82Å; L165-F225 HydrophobicContact CD1-CG 4.32Å; L165-F225 HydrophobicContact CG-CD2 4.28Å; L165-L228 HydrophobicContact CD2-CD2 4.34Å; L165-L1067 WeakPolarHBondContact O-CB 3.43Å; L165-L1067 VanDerWaalsContact O-CG 3.31Å; L165-L1067 WeakPolarHBondContact O-CG 3.16Å; L165-L1067 PolarHBondContact O-N 3.2Å
166S78.7Confident71.1Confident2 Ų243.3 Ų43.31%0.01422%0.217CC..  trans-48.4150.8175.356.70000112.2M128 T168 W193M128-S166 VanDerWaalsContact CE-CB 3.45Å; S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 WeakPolarHBondContact CB-O 3.39Å; S166-T168 PolarHBondContact O-N 2.92Å; S166-T168 PolarHBondContact OG-O 2.85Å; S166-W193 VanDerWaalsContact O-CD1 3.3Å; S166-W193 PolarHBondContact O-NE1 2.91Å
167N78Confident69.3Low1 Ų142.9 Ų42.91%0.00521%0.213CC..SBendtrans-64.2-42.1-179.1-168.4-73.3000112L1067 P1069 D1073 N1077N167-L1067 WeakPolarHBondContact CB-O 3.4Å; N167-L1067 PolarHBondContact ND2-O 3.37Å; N167-P1069 HydrophobicContact CB-CB 4.03Å; N167-P1069 WeakPolarHBondContact ND2-CD 3.32Å; N167-D1073 HydrophobicContact CB-CB 4.11Å; N167-D1073 WeakPolarHBondContact CB-OD2 3.49Å; N167-N1077 PolarHBondContact OD1-ND2 3.3Å
168T70.3Confident67Low12 Ų1244.1 Ų44.17%0.07423%0.227CC..SBendtrans-104133.3171.450.20000110.1S166 R170 L191 D1073 V1076S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 WeakPolarHBondContact CB-O 3.39Å; S166-T168 PolarHBondContact O-N 2.92Å; S166-T168 PolarHBondContact OG-O 2.85Å; T168-R170 PolarHBondContact O-N 2.76Å; T168-L191 WeakPolarHBondContact CA-O 2.94Å; T168-L191 VanDerWaalsContact CB-O 3.29Å; T168-L191 WeakPolarHBondContact CB-O 3.33Å; T168-L191 WeakPolarHBondContact CG2-O 3.15Å; T168-D1073 HydrophobicContact CG2-CB 4Å; T168-D1073 VanDerWaalsContact OG1-CG 3.31Å; T168-D1073 PolarHBondContact OG1-OD1 2.74Å; T168-V1076 HydrophobicContact CG2-CB 4.26Å; T168-V1076 HydrophobicContact CG2-CG1 3.9Å
169P67.8Low64.6Low9 Ų946.1 Ų46.16%0.05823%0.233CC..  trans-53.4130.8172.2-3142.6000112.1M172 L191 P218 E223P169-M172 HydrophobicContact CB-CE 4.29Å; P169-M172 HydrophobicContact CB-CG 4.33Å; P169-M172 HydrophobicContact CG-CE 4.13Å; P169-L191 WeakPolarHBondContact CD-O 3.47Å; P169-P218 WeakPolarHBondContact CG-O 3.43Å; P169-E223 VanDerWaalsContact C-OE1 3.25Å; P169-E223 WeakPolarHBondContact CA-OE1 3.34Å; P169-E223 WeakPolarHBondContact CA-OE2 3.41Å; P169-E223 VanDerWaalsContact CB-CD 3.4Å; P169-E223 HydrophobicContact CB-CG 3.55Å; P169-E223 VanDerWaalsContact CB-OE1 3.23Å; P169-E223 WeakPolarHBondContact CB-OE1 3.26Å; P169-E223 HydrophobicContact CG-CG 4.23Å
170R64.9Low61.7Low67 Ų6751.1 Ų51.125%0.25326%0.256SS..SBendtrans-83.7-27.9-174.8-63.7-178.3-66.3-160.1-10.2113.5F82 V138 Y139 T168 E223F82-R170 HydrophobicContact CZ-CB 4.32Å; V138-R170 PolarHBondContact O-NH1 2.83Å; Y139-R170 PolarHBondContact O-NH2 2.83Å; T168-R170 PolarHBondContact O-N 2.76Å; R170-E223 PolarHBondContact N-OE1 3.43Å; R170-E223 PolarHBondContact N-OE2 2.95Å
171N60Low59Low26 Ų2648.2 Ų48.214%0.13925%0.248CC..  trans-105.528.2-172.6-66.4-29.1000113.4I77 H173 R222 E223I77-N171 VanDerWaalsContact O-CG 3.24Å; I77-N171 PolarHBondContact O-ND2 2.92Å; N171-H173 PolarHBondContact O-N 3.46Å; N171-H173 VanDerWaalsContact O-N 3.13Å; N171-R222 WeakPolarHBondContact CB-O 3.11Å; N171-R222 PolarHBondContact ND2-O 3.24Å; N171-E223 WeakPolarHBondContact CA-OE1 3.43Å; N171-E223 PolarHBondContact N-OE1 2.93Å
172M51.8Low56.2Low33 Ų3353 Ų5316%0.16327%0.273CS..  trans-75.993.9166.5-87.8-167.4-165.900110.3P169 P174 L191 K217P169-M172 HydrophobicContact CB-CE 4.29Å; P169-M172 HydrophobicContact CB-CG 4.33Å; P169-M172 HydrophobicContact CG-CE 4.13Å; M172-P174 WeakPolarHBondContact O-CD 3.07Å; M172-L191 HydrophobicContact CB-CD2 4.39Å; M172-L191 HydrophobicContact SD-CD2 3.56Å; M172-L191 VanDerWaalsContact SD-CD2 3.56Å; M172-L191 HydrophobicContact SD-CG 4.32Å; M172-K217 HydrophobicContact CE-CB 3.57Å; M172-K217 HydrophobicContact CE-CD 3.53Å; M172-K217 HydrophobicContact CE-CG 3.3Å; M172-K217 HydrophobicContact SD-CD 3.65Å; M172-K217 WeakPolarHBondContact SD-CE 3.27Å; M172-K217 HydrophobicContact SD-CG 3.86Å
173H48.6Very low53.4Low106 Ų10655.5 Ų55.549%0.49129%0.285SS..  trans-58.9131.3173-107-71.5000112.3N171N171-H173 PolarHBondContact O-N 3.46Å; N171-H173 VanDerWaalsContact O-N 3.13Å
174P41.1Very low50.5Low45 Ų4557 Ų5729%0.29230%0.298SS..  trans-74.7137.415228.4-26000108.7M172 F179M172-P174 WeakPolarHBondContact O-CD 3.07Å; P174-F179 HydrophobicContact CG-CD2 4.01Å; P174-F179 HydrophobicContact CG-CE2 4.41Å; P174-F179 HydrophobicContact CG-CG 4.06Å
175H33.6Very low47.9Very low141 Ų14158.6 Ų58.665%0.65331%0.311SS*.  trans-45.4150.3-176.9-83.1-69000114.2G177H175-G177 PolarHBondContact O-N 3.26Å
176E30.8Very low45.5Very low208 Ų20859.7 Ų59.797%0.97232%0.318SS*.SBendtrans-36.1101173.9-67.4-179.5143.500113
177G29.1Very low43.5Very low40 Ų4063.9 Ų63.941%0.41234%0.336SS..SBendtrans129.468.4-175.800000111.5H175 H180H175-G177 PolarHBondContact O-N 3.26Å; G177-H180 PolarHBondContact O-CD2 2.97Å; G177-H180 PolarHBondContact O-N 3.39Å
178G26.1Very low41.5Very low37 Ų3766.5 Ų66.538%0.38135%0.354SS..SBendtrans60.3178.5174.400000115H180 G1273G178-H180 PolarHBondContact O-N 3.33Å; G178-G1273 WeakPolarHBondContact CA-O 3.43Å
179F31.5Very low40Very low99 Ų9968.3 Ų68.343%0.43437%0.365SS..SBendtrans-65.975.4153.9-92.3-111.3000106.4P174 I181 A1274 F1275P174-F179 HydrophobicContact CG-CD2 4.01Å; P174-F179 HydrophobicContact CG-CE2 4.41Å; P174-F179 HydrophobicContact CG-CG 4.06Å; F179-I181 HydrophobicContact CD1-CD1 4.05Å; F179-I181 HydrophobicContact CD1-CG1 4.03Å; F179-I181 PolarHBondContact O-N 3.47Å; F179-I181 VanDerWaalsContact O-N 3.09Å; F179-A1274 HydrophobicContact CB-CB 3.82Å; F179-A1274 HydrophobicContact CD2-CB 4.07Å; F179-A1274 HydrophobicContact CG-CB 4.27Å; F179-A1274 CarbonylContact O-C 3.41Å; F179-F1275 HydrophobicContact CB-CB 3.81Å; F179-F1275 WeakPolarHBondContact O-CA 3.38Å; F179-F1275 WeakPolarHBondContact O-CB 3.49Å; F179-F1275 PolarHBondContact O-N 2.84Å
180H29.4Very low39.2Very low104 Ų10468.9 Ų68.948%0.48137%0.372SS..  trans-78.981.3158-83-60.5000106.2G177 G178 D182 Q1278G177-H180 PolarHBondContact O-CD2 2.97Å; G177-H180 PolarHBondContact O-N 3.39Å; G178-H180 PolarHBondContact O-N 3.33Å; H180-D182 PolarHBondContact O-N 3.28Å; H180-Q1278 PolarHBondContact CE1-NE2 3.17Å; H180-Q1278 PolarHBondContact ND1-NE2 2.94Å; H180-Q1278 VanDerWaalsContact ND1-NE2 3.13Å
181I35.5Very low38.8Very low34 Ų3468.3 Ų68.317%0.17437%0.374CS..  trans-69.785.8160.1-52.2173.3000105.4F179 Q183 S185 V186 W1079 F1275F179-I181 HydrophobicContact CD1-CD1 4.05Å; F179-I181 HydrophobicContact CD1-CG1 4.03Å; F179-I181 PolarHBondContact O-N 3.47Å; F179-I181 VanDerWaalsContact O-N 3.09Å; I181-Q183 PolarHBondContact O-N 2.74Å; I181-S185 WeakPolarHBondContact CG2-OG 3.24Å; I181-V186 HydrophobicContact CG2-CG2 3.4Å; I181-V186 VanDerWaalsContact CG2-CG2 3.4Å; I181-W1079 HydrophobicContact CD1-CE3 4.39Å; I181-W1079 HydrophobicContact CD1-CH2 3.92Å; I181-W1079 HydrophobicContact CD1-CZ3 3.78Å; I181-W1079 HydrophobicContact CG2-CZ3 3.92Å; I181-F1275 HydrophobicContact CB-CB 4.09Å; I181-F1275 HydrophobicContact CB-CD1 4.25Å; I181-F1275 HydrophobicContact CB-CD2 3.53Å; I181-F1275 HydrophobicContact CB-CE2 3.94Å; I181-F1275 HydrophobicContact CB-CG 3.69Å; I181-F1275 HydrophobicContact CB-CZ 4.45Å; I181-F1275 HydrophobicContact CD1-CB 3.91Å; I181-F1275 HydrophobicContact CD1-CD1 3.8Å; I181-F1275 HydrophobicContact CD1-CE1 4.47Å; I181-F1275 HydrophobicContact CD1-CG 3.84Å; I181-F1275 HydrophobicContact CG1-CB 3.81Å; I181-F1275 HydrophobicContact CG1-CD1 4.33Å; I181-F1275 HydrophobicContact CG1-CD2 4.22Å; I181-F1275 HydrophobicContact CG1-CG 3.87Å; I181-F1275 WeakPolarHBondContact O-CD2 3.46Å; I181-F1275 WeakPolarHBondContact O-CE2 3.33Å
182D34.5Very low39.2Very low101 Ų10167.2 Ų67.254%0.5437%0.369SS..  trans-56.5139168.6-79.4-26.8000107.9H180 A184 S185 V186H180-D182 PolarHBondContact O-N 3.28Å; D182-A184 PolarHBondContact O-N 2.81Å; D182-S185 PolarHBondContact N-OG 2.95Å; D182-S185 VanDerWaalsContact N-OG 3.14Å; D182-S185 WeakPolarHBondContact O-CA 3.27Å; D182-S185 WeakPolarHBondContact O-CB 3.48Å; D182-S185 PolarHBondContact O-N 2.81Å; D182-S185 PolarHBondContact O-OG 2.81Å; D182-V186 PolarHBondContact O-N 3.05Å
183Q35.9Very low40.6Very low88 Ų8865.7 Ų65.741%0.41136%0.362SS..THydrogen-bonded Turntrans-53.4-25.1-177.4-71.3-177.6-13.500112.9I181 F187 L1220 F1253I181-Q183 PolarHBondContact O-N 2.74Å; Q183-F187 WeakPolarHBondContact O-CD2 3.46Å; Q183-L1220 HydrophobicContact CB-CD1 4.17Å; Q183-F1253 HydrophobicContact CG-CZ 4.46Å
184A33.7Very low42Very low31 Ų3163.7 Ų63.726%0.25635%0.351SS..THydrogen-bonded Turntrans-76.7-34.5173.700000113.4D182 V186 F187D182-A184 PolarHBondContact O-N 2.81Å; A184-V186 PolarHBondContact O-N 2.93Å; A184-F187 PolarHBondContact O-N 3.3Å
185S37.2Very low44Very low46 Ų4661.8 Ų61.832%0.32234%0.339SS..G310 helixtrans-66.9-24178.872.90000113.2I181 D182 F187 S188I181-S185 WeakPolarHBondContact CG2-OG 3.24Å; D182-S185 PolarHBondContact N-OG 2.95Å; D182-S185 VanDerWaalsContact N-OG 3.14Å; D182-S185 WeakPolarHBondContact O-CA 3.27Å; D182-S185 WeakPolarHBondContact O-CB 3.48Å; D182-S185 PolarHBondContact O-N 2.81Å; D182-S185 PolarHBondContact O-OG 2.81Å; S185-F187 PolarHBondContact O-N 3.29Å; S185-S188 WeakPolarHBondContact CA-OG 3.39Å; S185-S188 PolarHBondContact O-N 2.97Å; S185-S188 PolarHBondContact O-OG 3.21Å; S185-S188 VanDerWaalsContact O-OG 3.1Å
186V37.9Very low46Very low24 Ų2457.6 Ų57.615%0.14533%0.334CS..G310 helixtrans-54.9-33171.7-176.40000112.3I181 D182 A184 W1079I181-V186 HydrophobicContact CG2-CG2 3.4Å; I181-V186 VanDerWaalsContact CG2-CG2 3.4Å; D182-V186 PolarHBondContact O-N 3.05Å; A184-V186 PolarHBondContact O-N 2.93Å; V186-W1079 HydrophobicContact CG1-CE3 3.9Å; V186-W1079 HydrophobicContact CG1-CZ3 4.17Å; V186-W1079 HydrophobicContact CG2-CE3 4.26Å; V186-W1079 HydrophobicContact CG2-CZ3 3.82Å
187F36Very low48.2Very low89 Ų8949.8 Ų49.839%0.3930%0.302SS..G310 helixtrans-90.3-12.6-179.7-64.2-78.8000112.9Q183 A184 S185 L1220Q183-F187 WeakPolarHBondContact O-CD2 3.46Å; A184-F187 PolarHBondContact O-N 3.3Å; S185-F187 PolarHBondContact O-N 3.29Å; F187-L1220 HydrophobicContact CE2-CD2 4.45Å
188S35.9Very low50.7Low57 Ų5749.7 Ų49.740%0.39929%0.292SS..SBendtrans-104.5102.5-177.566.90000111.3S185S185-S188 WeakPolarHBondContact CA-OG 3.39Å; S185-S188 PolarHBondContact O-N 2.97Å; S185-S188 PolarHBondContact O-OG 3.21Å; S185-S188 VanDerWaalsContact O-OG 3.1Å
189V39.6Very low53.3Low50 Ų5048.8 Ų48.830%0.30328%0.278SS..  trans87.1111.7156.5-148.80000117.3K217V189-K217 HydrophobicContact CB-CD 3.67Å; V189-K217 HydrophobicContact CG1-CB 4.16Å; V189-K217 HydrophobicContact CG1-CD 3.25Å; V189-K217 HydrophobicContact CG1-CG 4.2Å; V189-K217 PolarHBondContact O-NZ 3.05Å; V189-K217 VanDerWaalsContact O-NZ 3.09Å
190G49.8Very low55.2Low20 Ų2045.5 Ų45.521%0.20627%0.269CS..  trans-61.8148.4179.300000115.8E1080G190-E1080 WeakPolarHBondContact CA-OE1 3.46Å
191L57.5Low57.1Low55 Ų5543.1 Ų43.129%0.28826%0.257SS..SBendtrans-10017.1-170.7-74.7145.2000112.8T168 P169 M172 V1076 E1080T168-L191 WeakPolarHBondContact CA-O 2.94Å; T168-L191 VanDerWaalsContact CB-O 3.29Å; T168-L191 WeakPolarHBondContact CB-O 3.33Å; T168-L191 WeakPolarHBondContact CG2-O 3.15Å; P169-L191 WeakPolarHBondContact CD-O 3.47Å; M172-L191 HydrophobicContact CB-CD2 4.39Å; M172-L191 HydrophobicContact SD-CD2 3.56Å; M172-L191 VanDerWaalsContact SD-CD2 3.56Å; M172-L191 HydrophobicContact SD-CG 4.32Å; L191-V1076 HydrophobicContact CB-CG1 3.36Å; L191-V1076 HydrophobicContact CD1-CG1 3.47Å; L191-V1076 VanDerWaalsContact CD1-CG1 3.47Å; L191-V1076 HydrophobicContact CD2-CG1 4.35Å; L191-V1076 HydrophobicContact CG-CG1 3.86Å; L191-E1080 PolarHBondContact N-OE1 3.31Å
192G68.9Low58.4Low4 Ų443.5 Ų43.54%0.04126%0.262CS..SBendtrans-115166.7178.700000114K194G192-K194 PolarHBondContact O-N 3.2Å; G192-K194 VanDerWaalsContact O-N 3.13Å
193W79.6Confident59.8Low0 Ų039 Ų390%024%0.239CC..  trans-61.3-18.2175.5-71.197.3000115.1L165 S166 T195 P218 Y220 E223 F225 H1032 P1066L165-W193 HydrophobicContact CB-CZ2 3.8Å; L165-W193 HydrophobicContact CD1-CH2 3.87Å; L165-W193 HydrophobicContact CD1-CZ2 3.7Å; L165-W193 HydrophobicContact CG-CZ2 4.27Å; S166-W193 VanDerWaalsContact O-CD1 3.3Å; S166-W193 PolarHBondContact O-NE1 2.91Å; W193-T195 HydrophobicContact CB-CG2 3.97Å; W193-T195 PolarHBondContact O-N 3.25Å; W193-T195 VanDerWaalsContact O-N 3.14Å; W193-P218 HydrophobicContact CE3-CB 4.16Å; W193-P218 WeakPolarHBondContact O-CG 3.46Å; W193-Y220 HydrophobicContact CE3-CD1 4.29Å; W193-Y220 AromaticContact CE3-CE1 3.86Å; W193-Y220 HydrophobicContact CE3-CE1 3.86Å; W193-Y220 AromaticContact CZ3-CD1 3.58Å; W193-Y220 HydrophobicContact CZ3-CD1 3.58Å; W193-Y220 AromaticContact CZ3-CE1 3.58Å; W193-Y220 HydrophobicContact CZ3-CE1 3.58Å; W193-Y220 HydrophobicContact CZ3-CG 4.11Å; W193-E223 HydrophobicContact CH2-CB 3.7Å; W193-E223 HydrophobicContact CH2-CG 3.91Å; W193-E223 HydrophobicContact CZ2-CB 4.02Å; W193-E223 HydrophobicContact CZ2-CG 3.99Å; W193-F225 HydrophobicContact CH2-CB 3.8Å; W193-F225 AromaticContact CH2-CD2 3.77Å; W193-F225 HydrophobicContact CH2-CD2 3.77Å; W193-F225 HydrophobicContact CH2-CG 4.12Å; W193-F225 HydrophobicContact CZ2-CD2 4.43Å; W193-F225 HydrophobicContact CZ3-CB 4.19Å; W193-F225 AromaticContact CZ3-CD2 3.93Å; W193-F225 HydrophobicContact CZ3-CD2 3.93Å; W193-F225 HydrophobicContact CZ3-CG 4.21Å; W193-H1032 PolarHBondContact O-CE1 2.79Å; W193-P1066 HydrophobicContact CB-CG 3.66Å; W193-P1066 VanDerWaalsContact CD1-CG 3.42Å; W193-P1066 HydrophobicContact CG-CB 4.31Å; W193-P1066 HydrophobicContact CG-CG 3.63Å
194K77.6Confident61.4Low64 Ų6438.7 Ų38.728%0.27824%0.237SC..  trans52.329.4-178.5-57.8-59.3175.4-167.80115.3G192 G196 S197 L1031 H1032 E1080G192-K194 PolarHBondContact O-N 3.2Å; G192-K194 VanDerWaalsContact O-N 3.13Å; K194-G196 PolarHBondContact O-N 3.2Å; K194-S197 CarbonylContact O-C 3.59Å; K194-S197 PolarHBondContact O-N 3.13Å; K194-L1031 HydrophobicContact CB-CD1 3.78Å; K194-L1031 HydrophobicContact CG-CD1 4.29Å; K194-H1032 PolarHBondContact O-NE2 2.95Å; K194-E1080 IonicContact NZ-OE1 3.95Å; K194-E1080 PolarHBondContact NZ-OE1 3.29Å; K194-E1080 IonicContact NZ-OE2 3.21Å; K194-E1080 PolarHBondContact NZ-OE2 3.24Å
195T84.5Confident63.2Low6 Ų638.4 Ų38.44%0.03723%0.231CC..THydrogen-bonded Turntrans-57.5-19.1-179.3550000115.4W193 S197 T938 P939 L941 N1064 P1066W193-T195 HydrophobicContact CB-CG2 3.97Å; W193-T195 PolarHBondContact O-N 3.25Å; W193-T195 VanDerWaalsContact O-N 3.14Å; T195-S197 VanDerWaalsContact C-N 3.26Å; T195-S197 PolarHBondContact O-N 3.49Å; T195-T938 WeakPolarHBondContact OG1-CB 3.03Å; T195-P939 WeakPolarHBondContact CB-O 3.44Å; T195-P939 PolarHBondContact OG1-O 3.34Å; T195-L941 HydrophobicContact CG2-CB 4.03Å; T195-N1064 HydrophobicContact CG2-CB 4.15Å; T195-P1066 HydrophobicContact CG2-CG 3.99Å
196G75.2Confident65.2Low53 Ų5336.2 Ų36.255%0.54622%0.216SC..THydrogen-bonded Turntrans-79.31.2170.900000115K194K194-G196 PolarHBondContact O-N 3.2Å
197S76.3Confident67.4Low43 Ų4335.4 Ų35.430%0.30121%0.211SC..  trans-145.7120.3-176.2-69.10000110.7K194 T195 F199 L1031 H1032K194-S197 CarbonylContact O-C 3.59Å; K194-S197 PolarHBondContact O-N 3.13Å; T195-S197 VanDerWaalsContact C-N 3.26Å; T195-S197 PolarHBondContact O-N 3.49Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.4Å; S197-L1031 WeakPolarHBondContact O-CD1 3.49Å; S197-H1032 PolarHBondContact O-NE2 3.37Å
198L83.2Confident69.7Low38 Ų3831.9 Ų31.920%0.19920%0.195CC..SBendtrans-72.9-19.6179.5-62.8172000113.5L941 S947 Y948 P1030 L1031L198-L941 HydrophobicContact CD2-CD1 3.78Å; L198-L941 HydrophobicContact CD2-CD2 4.5Å; L198-S947 WeakPolarHBondContact CD1-O 3.25Å; L198-Y948 HydrophobicContact CB-CD1 4.34Å; L198-Y948 HydrophobicContact CB-CE1 3.92Å; L198-Y948 HydrophobicContact CD1-CD1 4.14Å; L198-Y948 HydrophobicContact CD1-CE1 4.41Å; L198-Y948 HydrophobicContact CD2-CE1 4.16Å; L198-Y948 HydrophobicContact CG-CE1 4.39Å; L198-P1030 CarbonylContact O-C 3.51Å; L198-P1030 WeakPolarHBondContact O-CA 3.2Å; L198-L1031 PolarHBondContact O-N 3.19Å
199F80Confident71.8Confident19 Ų1930.9 Ų30.98%0.08318%0.184CC..BIsolated β-bridgetrans-136.9152.4-175.5-61.8-93.1000111S197 M453 Y454 Y948 I1007 P1030 L1031S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.4Å; F199-M453 HydrophobicContact CD1-CB 4.07Å; F199-M453 HydrophobicContact CD1-CG 4.04Å; F199-M453 HydrophobicContact CD1-SD 4.17Å; F199-M453 HydrophobicContact CD2-CB 4.43Å; F199-M453 HydrophobicContact CE1-CB 4.36Å; F199-M453 HydrophobicContact CE1-CG 4.07Å; F199-M453 HydrophobicContact CE1-SD 3.59Å; F199-M453 VanDerWaalsContact CE1-SD 3.59Å; F199-M453 HydrophobicContact CG-CB 4.11Å; F199-M453 HydrophobicContact CZ-SD 3.85Å; F199-Y454 HydrophobicContact CB-CD1 4.31Å; F199-Y454 HydrophobicContact CB-CE1 3.59Å; F199-Y948 HydrophobicContact CE2-CD1 4.11Å; F199-Y948 HydrophobicContact CE2-CE1 4.31Å; F199-Y948 HydrophobicContact CZ-CD1 4.07Å; F199-Y948 HydrophobicContact CZ-CE1 4.26Å; F199-I1007 HydrophobicContact CZ-CD1 4.18Å; F199-P1030 HydrophobicContact CD1-CB 4.08Å; F199-P1030 HydrophobicContact CD1-CG 4.3Å; F199-P1030 HydrophobicContact CE1-CB 3.74Å; F199-P1030 HydrophobicContact CE1-CG 3.65Å; F199-P1030 HydrophobicContact CZ-CB 4.24Å; F199-P1030 HydrophobicContact CZ-CG 4.28Å; F199-L1031 VanDerWaalsContact C-CD1 3.46Å
200A72.3Confident73.7Confident30 Ų3030 Ų3025%0.24818%0.18CC..  trans-79.8124.5179.800000112.2Y454 L1031A200-Y454 WeakPolarHBondContact O-CE1 3.48Å; A200-Y454 VanDerWaalsContact O-CZ 3.3Å; A200-Y454 PolarHBondContact O-OH 3.25Å; A200-L1031 HydrophobicContact CB-CD1 4.44Å; A200-L1031 HydrophobicContact CB-CD2 4.05Å; A200-L1031 HydrophobicContact CB-CG 4.32Å
201F68Low75.2Confident54 Ų5433.4 Ų33.424%0.23719%0.194CC..SBendtrans-120.8134.6178.9-173.9-101.9000112.3Y406 Q430 I434 Y454F201-Y406 HydrophobicContact CE1-CG 4.38Å; F201-Y406 HydrophobicContact CE2-CD1 4.02Å; F201-Y406 AromaticContact CZ-CD1 3.76Å; F201-Y406 HydrophobicContact CZ-CD1 3.76Å; F201-Y406 AromaticContact CZ-CG 3.89Å; F201-Y406 HydrophobicContact CZ-CG 3.89Å; F201-Q430 VanDerWaalsContact CZ-NE2 3.26Å; F201-I434 HydrophobicContact CE2-CD1 4.04Å; F201-Y454 HydrophobicContact CB-CD1 4.07Å; F201-Y454 HydrophobicContact CB-CE1 4.46Å; F201-Y454 AromaticContact CD2-CD1 3.63Å; F201-Y454 HydrophobicContact CD2-CD1 3.63Å; F201-Y454 HydrophobicContact CD2-CE1 4.49Å; F201-Y454 AromaticContact CD2-CG 3.66Å; F201-Y454 HydrophobicContact CD2-CG 3.66Å; F201-Y454 HydrophobicContact CE2-CG 4.2Å; F201-Y454 HydrophobicContact CG-CD1 4.34Å
202P63.2Low76.5Confident42 Ų4232.2 Ų32.227%0.27319%0.186SC..SBendcis-75.4157.8-433.5-36.2000113Q204 Q271P202-Q204 PolarHBondContact O-N 3.25Å; P202-Q271 VanDerWaalsContact CB-OE1 3.24Å
203P64.7Low77.4Confident7 Ų732.2 Ų32.25%0.04519%0.185CC..PPolyproline II helixtrans-63.7131.9177.821.5-29.2000111.6Q271 I434 Y454P203-Q271 PolarHBondContact O-NE2 2.85Å; P203-I434 HydrophobicContact CG-CB 4.34Å; P203-I434 HydrophobicContact CG-CG1 4.09Å; P203-I434 HydrophobicContact CG-CG2 3.99Å; P203-Y454 HydrophobicContact CB-CD2 4.31Å; P203-Y454 HydrophobicContact CB-CE2 3.47Å; P203-Y454 VanDerWaalsContact CB-CE2 3.47Å; P203-Y454 HydrophobicContact CG-CD2 3.81Å; P203-Y454 HydrophobicContact CG-CE2 3.48Å; P203-Y454 VanDerWaalsContact CG-CE2 3.48Å
204Q68.2Low77.7Confident81 Ų8132.4 Ų32.438%0.37919%0.186SC..PPolyproline II helixtrans-75.7156.8171-68.4-178.9-9.600110.8P202 G206P202-Q204 PolarHBondContact O-N 3.25Å; Q204-G206 PolarHBondContact O-N 3.32Å
205N71.4Confident77.9Confident25 Ų2529.3 Ų29.313%0.13417%0.172CC..SBendtrans-80.1114.8173.8-174.11000109.7N262 N264 N439N205-N262 VanDerWaalsContact CG-O 3.29Å; N205-N262 PolarHBondContact ND2-O 3.49Å; N205-N262 PolarHBondContact OD1-O 2.89Å; N205-N264 PolarHBondContact ND2-N 3.2Å; N205-N264 VanDerWaalsContact ND2-N 3.15Å; N205-N439 PolarHBondContact OD1-ND2 2.95Å
206G79.8Confident77.8Confident0 Ų029.3 Ų29.30%017%0.174CC..SBendtrans95.5-165.1-17900000114.6Q204 R208 Y258 Y261 Q1029Q204-G206 PolarHBondContact O-N 3.32Å; G206-R208 PolarHBondContact O-N 3.14Å; G206-Y258 VanDerWaalsContact C-CZ 3.4Å; G206-Y261 VanDerWaalsContact CA-CD2 3.42Å; G206-Q1029 PolarHBondContact O-NE2 3.03Å
207P83.5Confident77.9Confident6 Ų629.2 Ų29.24%0.03916%0.158CC..SBendtrans-68.2124.6179.317.8-14.6000109.8Y56 E209 S210 R255 Y258 Y261Y56-P207 WeakPolarHBondContact OH-CB 3.35Å; Y56-P207 WeakPolarHBondContact OH-CG 3.42Å; P207-E209 PolarHBondContact O-N 2.87Å; P207-S210 PolarHBondContact O-N 3.2Å; P207-R255 VanDerWaalsContact CB-NH2 3.26Å; P207-Y258 HydrophobicContact CB-CD1 3.99Å; P207-Y258 HydrophobicContact CB-CD2 3.85Å; P207-Y258 HydrophobicContact CB-CE2 4.42Å; P207-Y258 HydrophobicContact CB-CG 3.6Å; P207-Y258 VanDerWaalsContact CD-CD1 3.43Å; P207-Y258 HydrophobicContact CG-CD1 3.7Å; P207-Y258 HydrophobicContact CG-CD2 4.48Å; P207-Y258 HydrophobicContact CG-CE1 4.32Å; P207-Y258 HydrophobicContact CG-CG 3.8Å; P207-Y261 WeakPolarHBondContact CD-OH 3.31Å; P207-Y261 HydrophobicContact CG-CD1 4.43Å; P207-Y261 HydrophobicContact CG-CE1 3.68Å
208R83.8Confident78.1Confident15 Ų1527.3 Ų27.36%0.05715%0.145CC..THydrogen-bonded Turntrans-54131.4171.7-169.8173.267.273.9-5.4109.9G206 S210 G215 K217 R255 N1028G206-R208 PolarHBondContact O-N 3.14Å; R208-S210 PolarHBondContact O-N 3.02Å; R208-G215 PolarHBondContact NH1-O 3.22Å; R208-K217 PolarHBondContact NH1-O 2.93Å; R208-K217 PolarHBondContact NH2-O 2.93Å; R208-R255 PolarHBondContact O-NH1 3.44Å; R208-R255 PolarHBondContact O-NH2 2.68Å; R208-N1028 PolarHBondContact NE-O 2.62Å; R208-N1028 PolarHBondContact NH2-O 3.3Å; R208-N1028 PolarHBondContact NH2-OD1 3.22Å; R208-N1028 PolarHBondContact O-ND2 3.34Å
209E81.1Confident78.1Confident36 Ų3625.6 Ų25.617%0.16814%0.136CC..THydrogen-bonded Turntrans48.561.7179.2-68.3-58.816700111.8P207 N211 Y212 R255P207-E209 PolarHBondContact O-N 2.87Å; E209-N211 PolarHBondContact O-N 2.87Å; E209-N211 VanDerWaalsContact O-N 3.14Å; E209-Y212 HydrophobicContact CB-CD2 4.03Å; E209-Y212 PolarHBondContact O-N 3.37Å; E209-Y212 VanDerWaalsContact O-N 3.16Å; E209-Y212 WeakPolarHBondContact OE2-CD2 3.44Å; E209-R255 PolarHBondContact O-NH1 3.3Å
210S79.7Confident78.6Confident31 Ų3125 Ų2522%0.21713%0.133CC..THydrogen-bonded Turntrans-61.7-26.6-166.773.20000113.9R54 Y56 P207 R208 Y212R54-S210 PolarHBondContact NE-O 2.86Å; R54-S210 VanDerWaalsContact NE-O 3.09Å; R54-S210 VanDerWaalsContact NH1-C 3.29Å; R54-S210 VanDerWaalsContact NH1-CB 3.32Å; R54-S210 PolarHBondContact NH1-O 2.94Å; R54-S210 PolarHBondContact NH1-OG 3.38Å; R54-S210 PolarHBondContact NH2-O 3.33Å; R54-S210 VanDerWaalsContact NH2-O 3.13Å; Y56-S210 WeakPolarHBondContact CE1-O 3.31Å; P207-S210 PolarHBondContact O-N 3.2Å; R208-S210 PolarHBondContact O-N 3.02Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.46Å
211N81.6Confident79.3Confident93 Ų9323.8 Ų23.850%0.49712%0.122SC..THydrogen-bonded Turntrans-83.2-5.5-177.8-67.9-19.8000114.4R54 E209R54-N211 PolarHBondContact NH1-OD1 3.45Å; R54-N211 PolarHBondContact NH2-OD1 2.93Å; E209-N211 PolarHBondContact O-N 2.87Å; E209-N211 VanDerWaalsContact O-N 3.14Å
212Y84.3Confident79.8Confident30 Ų3022.3 Ų22.312%0.11812%0.115CC..  trans-113.6120.1-170.8-62.1-56.5000111.5D73 D75 E209 S210 D214 G215 R255D73-Y212 WeakPolarHBondContact OD2-CA 3.36Å; D75-Y212 WeakPolarHBondContact OD2-CE1 3.27Å; E209-Y212 HydrophobicContact CB-CD2 4.03Å; E209-Y212 PolarHBondContact O-N 3.37Å; E209-Y212 VanDerWaalsContact O-N 3.16Å; E209-Y212 WeakPolarHBondContact OE2-CD2 3.44Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.46Å; Y212-D214 WeakPolarHBondContact CB-OD1 3.42Å; Y212-G215 PolarHBondContact O-N 2.6Å; Y212-G215 VanDerWaalsContact O-N 3.16Å; Y212-R255 PolarHBondContact O-NH1 3.12Å
213S87.4Confident80.6Confident3 Ų320.5 Ų20.52%0.02110%0.103CC..THydrogen-bonded Turntrans-73.1-32.3-179.256.40000112.2L72 D73 G215 R255L72-S213 WeakPolarHBondContact CD1-OG 3.31Å; L72-S213 WeakPolarHBondContact CD2-OG 3.42Å; L72-S213 WeakPolarHBondContact CG-OG 3.43Å; D73-S213 WeakPolarHBondContact OD1-CB 3.35Å; D73-S213 PolarHBondContact OD1-OG 3.07Å; D73-S213 PolarHBondContact OD2-N 3.3Å; D73-S213 PolarHBondContact OD2-OG 3.46Å; S213-G215 PolarHBondContact O-N 3.16Å; S213-R255 WeakPolarHBondContact O-CB 3.26Å
214D85.5Confident81.6Confident4 Ų420.2 Ų20.22%0.02110%0.101CC..THydrogen-bonded Turntrans-69.3-6.1167.770.5-18.9000113.4F59 L72 Y212 G216 W221 R222 L1034F59-D214 HydrophobicContact CE1-CB 4.24Å; F59-D214 HydrophobicContact CZ-CB 4.29Å; L72-D214 HydrophobicContact CD2-CB 3.69Å; Y212-D214 WeakPolarHBondContact CB-OD1 3.42Å; D214-G216 VanDerWaalsContact C-N 3.3Å; D214-G216 PolarHBondContact OD1-N 3.47Å; D214-W221 HydrophobicContact CB-CB 3.66Å; D214-W221 HydrophobicContact CB-CG 4.07Å; D214-R222 IonicContact OD2-NE 2.62Å; D214-R222 PolarHBondContact OD2-NE 3.46Å; D214-L1034 VanDerWaalsContact O-CD2 3.22Å; D214-L1034 WeakPolarHBondContact O-CD2 3.39Å
215G82.8Confident82.7Confident0 Ų016.3 Ų16.30%08%0.083CC..  trans83.32.6-177.800000115.1R208 Y212 S213 N1028R208-G215 PolarHBondContact NH1-O 3.22Å; Y212-G215 PolarHBondContact O-N 2.6Å; Y212-G215 VanDerWaalsContact O-N 3.16Å; S213-G215 PolarHBondContact O-N 3.16Å; G215-N1028 WeakPolarHBondContact CA-ND2 3.09Å; G215-N1028 WeakPolarHBondContact CA-OD1 3.24Å; G215-N1028 PolarHBondContact O-ND2 3.47Å; G215-N1028 PolarHBondContact O-OD1 3.18Å
216G82.7Confident83.7Confident6 Ų615.1 Ų15.16%0.0628%0.077CC..  trans64.1-138.3175.200000113.7D214 G219D214-G216 VanDerWaalsContact C-N 3.3Å; D214-G216 PolarHBondContact OD1-N 3.47Å; G216-G219 VanDerWaalsContact O-CA 3.26Å; G216-G219 WeakPolarHBondContact O-CA 3.28Å; G216-G219 PolarHBondContact O-N 3.34Å
217K77.4Confident84.2Confident51 Ų5115.1 Ų15.122%0.2228%0.077CC..THydrogen-bonded Turntrans-56.3139.6-172.3-54.4-173.4169.4-173.90111.5M172 V189 R208 G219M172-K217 HydrophobicContact CE-CB 3.57Å; M172-K217 HydrophobicContact CE-CD 3.53Å; M172-K217 HydrophobicContact CE-CG 3.3Å; M172-K217 HydrophobicContact SD-CD 3.65Å; M172-K217 WeakPolarHBondContact SD-CE 3.27Å; M172-K217 HydrophobicContact SD-CG 3.86Å; V189-K217 HydrophobicContact CB-CD 3.67Å; V189-K217 HydrophobicContact CG1-CB 4.16Å; V189-K217 HydrophobicContact CG1-CD 3.25Å; V189-K217 HydrophobicContact CG1-CG 4.2Å; V189-K217 PolarHBondContact O-NZ 3.05Å; V189-K217 VanDerWaalsContact O-NZ 3.09Å; R208-K217 PolarHBondContact NH1-O 2.93Å; R208-K217 PolarHBondContact NH2-O 2.93Å; K217-G219 VanDerWaalsContact CA-N 3.3Å
218P80.4Confident84.6Confident3 Ų314.9 Ų14.92%0.0198%0.075CC..THydrogen-bonded Turncis-72.6-2.37.5-13.128.6000115P169 W193 Y220P169-P218 WeakPolarHBondContact CG-O 3.43Å; W193-P218 HydrophobicContact CE3-CB 4.16Å; W193-P218 WeakPolarHBondContact O-CG 3.46Å; P218-Y220 HydrophobicContact CG-CE2 4.19Å
219G82.7Confident85.1Confident2 Ų214.1 Ų14.12%0.0217%0.072CC..  trans8940.9174.300000113.8G216 K217 W221 R222 E223G216-G219 VanDerWaalsContact O-CA 3.26Å; G216-G219 WeakPolarHBondContact O-CA 3.28Å; G216-G219 PolarHBondContact O-N 3.34Å; K217-G219 VanDerWaalsContact CA-N 3.3Å; G219-W221 PolarHBondContact O-N 3.49Å; G219-W221 VanDerWaalsContact O-N 3.16Å; G219-R222 PolarHBondContact O-N 3.08Å; G219-E223 WeakPolarHBondContact O-CB 3.5Å; G219-E223 WeakPolarHBondContact O-CG 3.27Å; G219-E223 PolarHBondContact O-N 2.94Å
220Y89.3Confident85.8Confident6 Ų612.4 Ų12.42%0.0246%0.064CC..THydrogen-bonded Turntrans-53.9-35.1179.8-79.9-77.9000113.6W193 P218 F225 L226 L1031 H1032 P1035 N1064W193-Y220 HydrophobicContact CE3-CD1 4.29Å; W193-Y220 AromaticContact CE3-CE1 3.86Å; W193-Y220 HydrophobicContact CE3-CE1 3.86Å; W193-Y220 AromaticContact CZ3-CD1 3.58Å; W193-Y220 HydrophobicContact CZ3-CD1 3.58Å; W193-Y220 AromaticContact CZ3-CE1 3.58Å; W193-Y220 HydrophobicContact CZ3-CE1 3.58Å; W193-Y220 HydrophobicContact CZ3-CG 4.11Å; P218-Y220 HydrophobicContact CG-CE2 4.19Å; Y220-F225 HydrophobicContact CD1-CB 3.97Å; Y220-F225 AromaticContact CD1-CD1 3.43Å; Y220-F225 HydrophobicContact CD1-CD1 3.43Å; Y220-F225 VanDerWaalsContact CD1-CD1 3.43Å; Y220-F225 HydrophobicContact CD1-CD2 4.22Å; Y220-F225 AromaticContact CD1-CE1 3.92Å; Y220-F225 HydrophobicContact CD1-CE1 3.92Å; Y220-F225 AromaticContact CD1-CG 3.62Å; Y220-F225 HydrophobicContact CD1-CG 3.62Å; Y220-F225 HydrophobicContact CD1-CZ 4.5Å; Y220-F225 AromaticContact CE1-CD1 3.85Å; Y220-F225 HydrophobicContact CE1-CD1 3.85Å; Y220-F225 HydrophobicContact CE1-CD2 4.24Å; Y220-F225 AromaticContact CE1-CE1 3.88Å; Y220-F225 HydrophobicContact CE1-CE1 3.88Å; Y220-F225 HydrophobicContact CE1-CE2 4.26Å; Y220-F225 HydrophobicContact CE1-CG 4.06Å; Y220-F225 HydrophobicContact CE1-CZ 4.1Å; Y220-F225 WeakPolarHBondContact O-CB 3.38Å; Y220-F225 PolarHBondContact O-N 3.35Å; Y220-L226 PolarHBondContact O-N 3.47Å; Y220-L226 VanDerWaalsContact O-N 3.14Å; Y220-L1031 WeakPolarHBondContact CE2-O 3.35Å; Y220-H1032 HydrophobicContact CE2-CB 4.45Å; Y220-H1032 AromaticContact CE2-ND1 3.48Å; Y220-H1032 WeakPolarHBondContact CE2-ND1 3.12Å; Y220-H1032 AromaticContact CZ-ND1 3.64Å; Y220-H1032 PolarHBondContact OH-ND1 3.3Å; Y220-P1035 HydrophobicContact CD1-CB 4.02Å; Y220-P1035 HydrophobicContact CD1-CG 3.81Å; Y220-P1035 HydrophobicContact CD2-CG 3.93Å; Y220-P1035 HydrophobicContact CE1-CB 4.14Å; Y220-P1035 HydrophobicContact CE1-CG 3.7Å; Y220-P1035 HydrophobicContact CE2-CG 3.8Å; Y220-P1035 HydrophobicContact CG-CB 4.39Å; Y220-P1035 HydrophobicContact CG-CG 3.95Å; Y220-N1064 PolarHBondContact OH-ND2 3.42Å
221W87.3Confident86.4Confident4 Ų411.2 Ų11.22%0.0156%0.056CC..THydrogen-bonded Turntrans-77.1-51.4174.4175.6-107.6000112.3F59 I61 D67 L72 I77 D214 G219 E223 G224 L226 I227F59-W221 HydrophobicContact CD2-CD2 4.15Å; F59-W221 AromaticContact CD2-CE3 3.93Å; F59-W221 HydrophobicContact CD2-CE3 3.93Å; F59-W221 AromaticContact CD2-CH2 3.97Å; F59-W221 HydrophobicContact CD2-CH2 3.97Å; F59-W221 HydrophobicContact CD2-CZ2 4.21Å; F59-W221 AromaticContact CD2-CZ3 3.83Å; F59-W221 HydrophobicContact CD2-CZ3 3.83Å; F59-W221 AromaticContact CE2-CD2 3.84Å; F59-W221 HydrophobicContact CE2-CD2 3.84Å; F59-W221 AromaticContact CE2-CE3 3.51Å; F59-W221 HydrophobicContact CE2-CE3 3.51Å; F59-W221 HydrophobicContact CE2-CG 4.4Å; F59-W221 HydrophobicContact CE2-CH2 4.4Å; F59-W221 AromaticContact CE2-CZ3 3.82Å; F59-W221 HydrophobicContact CE2-CZ3 3.82Å; F59-W221 HydrophobicContact CZ-CE3 4.5Å; I61-W221 HydrophobicContact CB-CZ3 4.31Å; I61-W221 HydrophobicContact CD1-CZ3 4.13Å; I61-W221 HydrophobicContact CG1-CZ3 4.13Å; D67-W221 HydrophobicContact CB-CH2 4.32Å; L72-W221 HydrophobicContact CD2-CG 4.23Å; I77-W221 HydrophobicContact CD1-CD2 4.35Å; I77-W221 HydrophobicContact CD1-CZ2 4Å; D214-W221 HydrophobicContact CB-CB 3.66Å; D214-W221 HydrophobicContact CB-CG 4.07Å; G219-W221 PolarHBondContact O-N 3.49Å; G219-W221 VanDerWaalsContact O-N 3.16Å; W221-E223 VanDerWaalsContact C-N 3.3Å; W221-E223 PolarHBondContact O-N 3.19Å; W221-G224 VanDerWaalsContact O-CA 3.32Å; W221-G224 WeakPolarHBondContact O-CA 3.23Å; W221-G224 PolarHBondContact O-N 3.36Å; W221-L226 HydrophobicContact CB-CD1 4.09Å; W221-L226 HydrophobicContact CE3-CD1 4.24Å; W221-I227 HydrophobicContact CZ3-CG1 4.34Å
222R78.8Confident87Confident24 Ų246.8 Ų6.89%0.0913%0.032CC..THydrogen-bonded Turntrans-62.5-30.1-178.2-64.4170-174.2-111.7-30.2114.8D75 I77 N171 D214 G219D75-R222 IonicContact OD2-CZ 2.99Å; D75-R222 VanDerWaalsContact OD2-CZ 3.28Å; D75-R222 IonicContact OD2-NH1 3.31Å; D75-R222 PolarHBondContact OD2-NH1 3.06Å; D75-R222 IonicContact OD2-NH2 3.01Å; D75-R222 PolarHBondContact OD2-NH2 2.85Å; I77-R222 WeakPolarHBondContact CG2-O 3.11Å; N171-R222 WeakPolarHBondContact CB-O 3.11Å; N171-R222 PolarHBondContact ND2-O 3.24Å; D214-R222 IonicContact OD2-NE 2.62Å; D214-R222 PolarHBondContact OD2-NE 3.46Å; G219-R222 PolarHBondContact O-N 3.08Å
223E79.6Confident87.5Confident4 Ų45.3 Ų5.32%0.0193%0.026CC..THydrogen-bonded Turntrans-84.21.5172.5-67.2-55.112700112.7Y139 L165 P169 R170 N171 W193 G219 W221 F225Y139-E223 PolarHBondContact OH-O 2.95Å; L165-E223 HydrophobicContact CD1-CB 4.31Å; P169-E223 VanDerWaalsContact C-OE1 3.25Å; P169-E223 WeakPolarHBondContact CA-OE1 3.34Å; P169-E223 WeakPolarHBondContact CA-OE2 3.41Å; P169-E223 VanDerWaalsContact CB-CD 3.4Å; P169-E223 HydrophobicContact CB-CG 3.55Å; P169-E223 VanDerWaalsContact CB-OE1 3.23Å; P169-E223 WeakPolarHBondContact CB-OE1 3.26Å; P169-E223 HydrophobicContact CG-CG 4.23Å; R170-E223 PolarHBondContact N-OE1 3.43Å; R170-E223 PolarHBondContact N-OE2 2.95Å; N171-E223 WeakPolarHBondContact CA-OE1 3.43Å; N171-E223 PolarHBondContact N-OE1 2.93Å; W193-E223 HydrophobicContact CH2-CB 3.7Å; W193-E223 HydrophobicContact CH2-CG 3.91Å; W193-E223 HydrophobicContact CZ2-CB 4.02Å; W193-E223 HydrophobicContact CZ2-CG 3.99Å; G219-E223 WeakPolarHBondContact O-CB 3.5Å; G219-E223 WeakPolarHBondContact O-CG 3.27Å; G219-E223 PolarHBondContact O-N 2.94Å; W221-E223 VanDerWaalsContact C-N 3.3Å; W221-E223 PolarHBondContact O-N 3.19Å; E223-F225 PolarHBondContact O-N 2.86Å; E223-F225 VanDerWaalsContact O-N 3.14Å
224G85.5Confident87.7Confident0 Ų06.8 Ų6.80%03%0.032CC..THydrogen-bonded Turntrans55.926.2-173.800000113.9Y139 W221 I227 L228Y139-G224 WeakPolarHBondContact OH-CA 3.47Å; Y139-G224 PolarHBondContact OH-O 2.79Å; W221-G224 VanDerWaalsContact O-CA 3.32Å; W221-G224 WeakPolarHBondContact O-CA 3.23Å; W221-G224 PolarHBondContact O-N 3.36Å; G224-I227 PolarHBondContact O-N 3.44Å; G224-L228 PolarHBondContact O-N 2.88Å; G224-L228 VanDerWaalsContact O-N 3.16Å
225F91.2Very high88Confident0 Ų06.9 Ų6.90%03%0.034CC..Hα-helixtrans-63.9-44.5175-177.8-74.2000110.6I163 L165 W193 Y220 E223 I227 L228 Q229 L943 P1035 T1062 N1064I163-F225 HydrophobicContact CB-CD2 4.35Å; I163-F225 HydrophobicContact CB-CE2 3.64Å; I163-F225 HydrophobicContact CB-CZ 3.92Å; I163-F225 HydrophobicContact CD1-CD1 4.4Å; I163-F225 HydrophobicContact CD1-CE1 3.95Å; I163-F225 HydrophobicContact CD1-CE2 4.16Å; I163-F225 HydrophobicContact CD1-CZ 3.81Å; I163-F225 HydrophobicContact CG1-CE2 4.46Å; I163-F225 HydrophobicContact CG1-CZ 4.33Å; I163-F225 HydrophobicContact CG2-CD2 3.82Å; I163-F225 HydrophobicContact CG2-CE2 3.59Å; I163-F225 HydrophobicContact CG2-CZ 4.28Å; L165-F225 HydrophobicContact CD1-CB 3.87Å; L165-F225 HydrophobicContact CD1-CD2 3.82Å; L165-F225 HydrophobicContact CD1-CG 4.32Å; L165-F225 HydrophobicContact CG-CD2 4.28Å; W193-F225 HydrophobicContact CH2-CB 3.8Å; W193-F225 AromaticContact CH2-CD2 3.77Å; W193-F225 HydrophobicContact CH2-CD2 3.77Å; W193-F225 HydrophobicContact CH2-CG 4.12Å; W193-F225 HydrophobicContact CZ2-CD2 4.43Å; W193-F225 HydrophobicContact CZ3-CB 4.19Å; W193-F225 AromaticContact CZ3-CD2 3.93Å; W193-F225 HydrophobicContact CZ3-CD2 3.93Å; W193-F225 HydrophobicContact CZ3-CG 4.21Å; Y220-F225 HydrophobicContact CD1-CB 3.97Å; Y220-F225 AromaticContact CD1-CD1 3.43Å; Y220-F225 HydrophobicContact CD1-CD1 3.43Å; Y220-F225 VanDerWaalsContact CD1-CD1 3.43Å; Y220-F225 HydrophobicContact CD1-CD2 4.22Å; Y220-F225 AromaticContact CD1-CE1 3.92Å; Y220-F225 HydrophobicContact CD1-CE1 3.92Å; Y220-F225 AromaticContact CD1-CG 3.62Å; Y220-F225 HydrophobicContact CD1-CG 3.62Å; Y220-F225 HydrophobicContact CD1-CZ 4.5Å; Y220-F225 AromaticContact CE1-CD1 3.85Å; Y220-F225 HydrophobicContact CE1-CD1 3.85Å; Y220-F225 HydrophobicContact CE1-CD2 4.24Å; Y220-F225 AromaticContact CE1-CE1 3.88Å; Y220-F225 HydrophobicContact CE1-CE1 3.88Å; Y220-F225 HydrophobicContact CE1-CE2 4.26Å; Y220-F225 HydrophobicContact CE1-CG 4.06Å; Y220-F225 HydrophobicContact CE1-CZ 4.1Å; Y220-F225 WeakPolarHBondContact O-CB 3.38Å; Y220-F225 PolarHBondContact O-N 3.35Å; E223-F225 PolarHBondContact O-N 2.86Å; E223-F225 VanDerWaalsContact O-N 3.14Å; F225-I227 VanDerWaalsContact C-N 3.29Å; F225-I227 PolarHBondContact O-N 2.95Å; F225-L228 PolarHBondContact O-N 3.16Å; F225-Q229 HydrophobicContact CD1-CB 4.46Å; F225-Q229 HydrophobicContact CE1-CB 4.4Å; F225-Q229 WeakPolarHBondContact O-CB 3.2Å; F225-Q229 PolarHBondContact O-N 3.14Å; F225-L943 HydrophobicContact CE1-CD1 3.43Å; F225-L943 VanDerWaalsContact CE1-CD1 3.43Å; F225-L943 HydrophobicContact CZ-CD1 3.42Å; F225-L943 VanDerWaalsContact CZ-CD1 3.42Å; F225-P1035 HydrophobicContact CE1-CB 4.33Å; F225-T1062 HydrophobicContact CZ-CG2 4.47Å; F225-N1064 HydrophobicContact CE2-CB 3.94Å; F225-N1064 HydrophobicContact CZ-CB 3.84Å
226L92.6Very high88.4Confident0 Ų06.9 Ų6.90%03%0.034CC..Hα-helixtrans-62.6-38.2178.7-59.8176.1000111.6I61 Y220 W221 Q229 H230 L253 L1034 P1035 L1038I61-L226 HydrophobicContact CD1-CB 3.64Å; I61-L226 WeakPolarHBondContact CD1-O 3.31Å; Y220-L226 PolarHBondContact O-N 3.47Å; Y220-L226 VanDerWaalsContact O-N 3.14Å; W221-L226 HydrophobicContact CB-CD1 4.09Å; W221-L226 HydrophobicContact CE3-CD1 4.24Å; L226-Q229 PolarHBondContact O-N 3.42Å; L226-H230 WeakPolarHBondContact O-CB 3.33Å; L226-H230 PolarHBondContact O-N 3.33Å; L226-L253 HydrophobicContact CD1-CD1 4.07Å; L226-L1034 HydrophobicContact CD1-CD1 4.01Å; L226-L1034 HydrophobicContact CD1-CD2 3.54Å; L226-L1034 HydrophobicContact CD1-CG 3.61Å; L226-L1034 HydrophobicContact CD2-CG 4.2Å; L226-P1035 HydrophobicContact CD2-CB 3.76Å; L226-L1038 HydrophobicContact CB-CD2 4Å; L226-L1038 HydrophobicContact CD2-CD2 3.94Å
227I90.9Very high88.7Confident0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-62.7-47178.8-55.5170.6000109.6D67 F68 I77 L107 W221 G224 F225 A231D67-I227 HydrophobicContact CB-CD1 3.67Å; D67-I227 HydrophobicContact CB-CG1 3.77Å; D67-I227 HydrophobicContact CB-CG2 4.16Å; F68-I227 HydrophobicContact CD1-CD1 3.83Å; F68-I227 HydrophobicContact CD2-CD1 4.14Å; F68-I227 HydrophobicContact CD2-CG2 4.04Å; F68-I227 HydrophobicContact CE1-CD1 3.93Å; F68-I227 HydrophobicContact CE2-CB 4.28Å; F68-I227 HydrophobicContact CE2-CD1 4.25Å; F68-I227 HydrophobicContact CE2-CG2 3.59Å; F68-I227 HydrophobicContact CG-CD1 3.94Å; F68-I227 HydrophobicContact CZ-CB 4.25Å; F68-I227 HydrophobicContact CZ-CD1 4.14Å; F68-I227 HydrophobicContact CZ-CG2 4.05Å; I77-I227 HydrophobicContact CD1-CD1 3.95Å; L107-I227 HydrophobicContact CD2-CG2 3.77Å; W221-I227 HydrophobicContact CZ3-CG1 4.34Å; G224-I227 PolarHBondContact O-N 3.44Å; F225-I227 VanDerWaalsContact C-N 3.29Å; F225-I227 PolarHBondContact O-N 2.95Å; I227-A231 VanDerWaalsContact O-CB 3.26Å; I227-A231 WeakPolarHBondContact O-CB 3.44Å; I227-A231 PolarHBondContact O-N 2.87Å
228L91.8Very high89.2Confident0 Ų09.2 Ų9.20%04%0.039CC..Hα-helixtrans-65.8-43.6177.3-177.458.1000112.2I87 V103 L107 Y139 V142 I163 L165 G224 F225 A231 V232I87-L228 HydrophobicContact CD1-CD1 3.86Å; V103-L228 HydrophobicContact CG1-CD1 4.23Å; L107-L228 HydrophobicContact CD1-CD1 4.24Å; Y139-L228 HydrophobicContact CD1-CD2 4.4Å; Y139-L228 HydrophobicContact CE1-CB 4.42Å; Y139-L228 HydrophobicContact CE1-CD2 4.13Å; V142-L228 HydrophobicContact CG2-CD1 4.3Å; V142-L228 HydrophobicContact CG2-CD2 4.16Å; V142-L228 HydrophobicContact CG2-CG 4.43Å; I163-L228 HydrophobicContact CD1-CG 4.38Å; I163-L228 HydrophobicContact CG2-CD2 3.84Å; L165-L228 HydrophobicContact CD2-CD2 4.34Å; G224-L228 PolarHBondContact O-N 2.88Å; G224-L228 VanDerWaalsContact O-N 3.16Å; F225-L228 PolarHBondContact O-N 3.16Å; L228-A231 PolarHBondContact O-N 3.05Å; L228-V232 HydrophobicContact CD1-CG2 4.14Å; L228-V232 WeakPolarHBondContact O-CB 3.35Å; L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 2.88Å
229Q94.7Very high89.5Confident0 Ų011.5 Ų11.50%05%0.05CC..Hα-helixtrans-55.8-54.8174.9173.7-179.1-1700110.8Y161 I163 F225 L226 A231 V232 D233 P1035 L1038 T1062Y161-Q229 PolarHBondContact OH-O 3.5Å; I163-Q229 HydrophobicContact CD1-CB 3.86Å; F225-Q229 HydrophobicContact CD1-CB 4.46Å; F225-Q229 HydrophobicContact CE1-CB 4.4Å; F225-Q229 WeakPolarHBondContact O-CB 3.2Å; F225-Q229 PolarHBondContact O-N 3.14Å; L226-Q229 PolarHBondContact O-N 3.42Å; Q229-A231 VanDerWaalsContact C-N 3.34Å; Q229-A231 PolarHBondContact O-N 2.96Å; Q229-V232 PolarHBondContact O-N 3.04Å; Q229-D233 WeakPolarHBondContact O-CB 3.47Å; Q229-D233 PolarHBondContact O-N 3.17Å; Q229-P1035 PolarHBondContact NE2-O 3.16Å; Q229-L1038 HydrophobicContact CB-CD2 4.44Å; Q229-L1038 HydrophobicContact CG-CD2 4.17Å; Q229-T1062 HydrophobicContact CG-CG2 4.02Å
230H95.1Very high89.7Confident0 Ų012.5 Ų12.50%06%0.055CC..Hα-helixtrans-65.2-37.1-176.9-164.549.4000112.4I61 L226 D233 K234 L1038 D1042I61-H230 HydrophobicContact CD1-CB 4.05Å; I61-H230 HydrophobicContact CG1-CB 4.4Å; L226-H230 WeakPolarHBondContact O-CB 3.33Å; L226-H230 PolarHBondContact O-N 3.33Å; H230-D233 PolarHBondContact O-N 3.04Å; H230-K234 WeakPolarHBondContact NE2-CE 3.16Å; H230-K234 PolarHBondContact NE2-NZ 3.31Å; H230-K234 VanDerWaalsContact NE2-NZ 3.18Å; H230-K234 WeakPolarHBondContact O-CB 3.22Å; H230-K234 WeakPolarHBondContact O-CG 3.48Å; H230-K234 PolarHBondContact O-N 3.16Å; H230-L1038 HydrophobicContact CB-CD1 4.48Å; H230-L1038 HydrophobicContact CB-CD2 4.16Å; H230-D1042 IonicContact CE1-OD1 3.15Å; H230-D1042 PolarHBondContact CE1-OD1 3.19Å; H230-D1042 IonicContact CE1-OD2 2.86Å; H230-D1042 IonicContact CG-OD2 3.12Å; H230-D1042 VanDerWaalsContact ND1-CG 3.32Å; H230-D1042 IonicContact ND1-OD1 3.68Å; H230-D1042 PolarHBondContact ND1-OD1 3.24Å; H230-D1042 IonicContact ND1-OD2 3.51Å; H230-D1042 PolarHBondContact ND1-OD2 2.86Å
231A92.9Very high89.4Confident5 Ų512.9 Ų12.94%0.0416%0.058CC..Hα-helixtrans-64.7-43.2176.100000112.1V103 L107 I227 L228 Q229 A235V103-A231 HydrophobicContact CG1-CB 4.18Å; L107-A231 HydrophobicContact CD1-CB 4.16Å; L107-A231 HydrophobicContact CD2-CB 4.06Å; L107-A231 HydrophobicContact CG-CB 4.15Å; I227-A231 VanDerWaalsContact O-CB 3.26Å; I227-A231 WeakPolarHBondContact O-CB 3.44Å; I227-A231 PolarHBondContact O-N 2.87Å; L228-A231 PolarHBondContact O-N 3.05Å; Q229-A231 VanDerWaalsContact C-N 3.34Å; Q229-A231 PolarHBondContact O-N 2.96Å; A231-A235 WeakPolarHBondContact O-CB 3.34Å; A231-A235 PolarHBondContact O-N 2.83Å
232V93.9Very high89.2Confident0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-66.2-44.6175.9173.50000110.5M100 V103 V142 F144 Y161 L228 Q229 A235 I236M100-V232 HydrophobicContact SD-CG2 4.41Å; V103-V232 HydrophobicContact CG1-CG2 4.45Å; V103-V232 HydrophobicContact CG2-CB 4.41Å; V103-V232 HydrophobicContact CG2-CG2 3.9Å; V142-V232 HydrophobicContact CG2-CG2 4.35Å; F144-V232 HydrophobicContact CE1-CG1 4.47Å; Y161-V232 HydrophobicContact CD1-CG1 4.19Å; Y161-V232 HydrophobicContact CD2-CG1 4.07Å; Y161-V232 HydrophobicContact CE1-CG1 3.83Å; Y161-V232 HydrophobicContact CE2-CB 4.12Å; Y161-V232 HydrophobicContact CE2-CG1 3.69Å; Y161-V232 HydrophobicContact CG-CG1 4.3Å; L228-V232 HydrophobicContact CD1-CG2 4.14Å; L228-V232 WeakPolarHBondContact O-CB 3.35Å; L228-V232 VanDerWaalsContact O-CG2 3.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.42Å; L228-V232 PolarHBondContact O-N 2.88Å; Q229-V232 PolarHBondContact O-N 3.04Å; V232-A235 PolarHBondContact O-N 3.13Å; V232-I236 HydrophobicContact CG1-CD1 3.77Å; V232-I236 HydrophobicContact CG1-CG1 4.39Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.22Å; V232-I236 PolarHBondContact O-N 3.21Å
233D94.1Very high89.2Confident0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-62.6-46179.7-67.6-12.6000110.8Y161 Q229 H230 A235 I236 I237 D1042 I1060Y161-D233 WeakPolarHBondContact CE1-OD1 3.38Å; Y161-D233 VanDerWaalsContact CZ-OD1 3.25Å; Y161-D233 PolarHBondContact OH-OD1 3.05Å; Q229-D233 WeakPolarHBondContact O-CB 3.47Å; Q229-D233 PolarHBondContact O-N 3.17Å; H230-D233 PolarHBondContact O-N 3.04Å; D233-A235 PolarHBondContact O-N 3.17Å; D233-I236 PolarHBondContact O-N 3.14Å; D233-I237 WeakPolarHBondContact O-CD1 3.45Å; D233-I237 WeakPolarHBondContact O-CG1 3.38Å; D233-I237 PolarHBondContact O-N 2.84Å; D233-D1042 HydrophobicContact CB-CB 4.01Å; D233-I1060 WeakPolarHBondContact OD1-CG2 3.5Å
234K92.6Very high89.2Confident34 Ų3424.8 Ų24.815%0.14813%0.13CC..Hα-helixtrans-60.4-42.5173.2-82-173.8167169.10113.1T62 H230 I236 I237 R238 L246T62-K234 PolarHBondContact O-NZ 3.19Å; H230-K234 WeakPolarHBondContact NE2-CE 3.16Å; H230-K234 PolarHBondContact NE2-NZ 3.31Å; H230-K234 VanDerWaalsContact NE2-NZ 3.18Å; H230-K234 WeakPolarHBondContact O-CB 3.22Å; H230-K234 WeakPolarHBondContact O-CG 3.48Å; H230-K234 PolarHBondContact O-N 3.16Å; K234-I236 VanDerWaalsContact C-N 3.35Å; K234-I237 PolarHBondContact O-N 3.26Å; K234-R238 VanDerWaalsContact O-CB 3.24Å; K234-R238 WeakPolarHBondContact O-CB 3.4Å; K234-R238 PolarHBondContact O-N 3.15Å; K234-L246 HydrophobicContact CB-CD2 4.08Å; K234-L246 HydrophobicContact CG-CD1 4.45Å; K234-L246 HydrophobicContact CG-CD2 4.12Å; K234-L246 HydrophobicContact CG-CG 4.44Å; K234-L246 WeakPolarHBondContact O-CD2 3.44Å
235A91.5Very high89.2Confident6 Ų628.9 Ų28.95%0.0515%0.149CC..Hα-helixtrans-64.1-40.3177.700000111.7I99 D102 V103 A231 V232 D233 M239I99-A235 HydrophobicContact CG2-CB 3.86Å; D102-A235 HydrophobicContact CB-CB 4.08Å; V103-A235 HydrophobicContact CG2-CB 3.73Å; A231-A235 WeakPolarHBondContact O-CB 3.34Å; A231-A235 PolarHBondContact O-N 2.83Å; V232-A235 PolarHBondContact O-N 3.13Å; D233-A235 PolarHBondContact O-N 3.17Å; A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 PolarHBondContact O-N 2.85Å
236I90.6Very high88.9Confident0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-63.3-48.6173.3-66.4166.4000110.4I99 F148 L159 Y161 V232 D233 K234 R238 M239 L240 I1060I99-I236 HydrophobicContact CD1-CG1 4.08Å; I99-I236 HydrophobicContact CG1-CG1 4.43Å; I99-I236 HydrophobicContact CG2-CG1 4Å; F148-I236 HydrophobicContact CE2-CD1 4.48Å; F148-I236 HydrophobicContact CZ-CD1 4.24Å; F148-I236 HydrophobicContact CZ-CG1 4.39Å; L159-I236 HydrophobicContact CD1-CG2 3.79Å; Y161-I236 HydrophobicContact CD1-CD1 4.1Å; Y161-I236 HydrophobicContact CE1-CD1 4.13Å; V232-I236 HydrophobicContact CG1-CD1 3.77Å; V232-I236 HydrophobicContact CG1-CG1 4.39Å; V232-I236 VanDerWaalsContact O-CG1 3.26Å; V232-I236 WeakPolarHBondContact O-CG1 3.22Å; V232-I236 PolarHBondContact O-N 3.21Å; D233-I236 PolarHBondContact O-N 3.14Å; K234-I236 VanDerWaalsContact C-N 3.35Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.02Å; I236-M239 PolarHBondContact O-N 3.34Å; I236-L240 HydrophobicContact CG2-CD1 3.65Å; I236-L240 HydrophobicContact CG2-CG 4.28Å; I236-L240 VanDerWaalsContact O-CG 3.24Å; I236-L240 WeakPolarHBondContact O-CG 3.38Å; I236-L240 PolarHBondContact O-N 3.04Å; I236-I1060 HydrophobicContact CB-CD1 4.06Å; I236-I1060 HydrophobicContact CG2-CD1 3.72Å; I236-I1060 HydrophobicContact CG2-CG1 4.12Å
237I90Very high88.6Confident0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-60.1-44.9179.8-66.7163.3000110.9D233 K234 L240 T241 L246 I1045 L1046 L1049 I1060D233-I237 WeakPolarHBondContact O-CD1 3.45Å; D233-I237 WeakPolarHBondContact O-CG1 3.38Å; D233-I237 PolarHBondContact O-N 2.84Å; K234-I237 PolarHBondContact O-N 3.26Å; I237-L240 PolarHBondContact O-N 2.84Å; I237-T241 PolarHBondContact O-N 2.8Å; I237-T241 PolarHBondContact O-OG1 3.37Å; I237-L246 HydrophobicContact CB-CD1 4.38Å; I237-L246 HydrophobicContact CB-CD2 4.26Å; I237-L246 HydrophobicContact CD1-CD1 4.42Å; I237-L246 HydrophobicContact CG2-CD1 3.8Å; I237-L246 HydrophobicContact CG2-CD2 4.14Å; I237-I1045 HydrophobicContact CD1-CG2 4.39Å; I237-L1046 HydrophobicContact CB-CD1 4.49Å; I237-L1046 HydrophobicContact CD1-CB 4.22Å; I237-L1046 HydrophobicContact CG1-CB 3.89Å; I237-L1046 HydrophobicContact CG1-CD1 3.98Å; I237-L1046 HydrophobicContact CG1-CG 4.41Å; I237-L1046 HydrophobicContact CG2-CD1 4.46Å; I237-L1049 HydrophobicContact CG2-CD1 3.81Å; I237-I1060 HydrophobicContact CG1-CD1 4.1Å
238R88.5Confident88.5Confident106 Ų10635.4 Ų35.440%0.418%0.184SC..Hα-helixtrans-63.5-41.8178.5-170.7173.6-116.81595.4111.2K234 I236 N242 L246 D247K234-R238 VanDerWaalsContact O-CB 3.24Å; K234-R238 WeakPolarHBondContact O-CB 3.4Å; K234-R238 PolarHBondContact O-N 3.15Å; I236-R238 VanDerWaalsContact C-N 3.34Å; I236-R238 PolarHBondContact O-N 3.02Å; R238-N242 WeakPolarHBondContact O-CA 3.22Å; R238-N242 PolarHBondContact O-N 2.94Å; R238-L246 HydrophobicContact CB-CD2 4.04Å; R238-D247 IonicContact CZ-OD2 3.71Å; R238-D247 IonicContact NH2-OD1 2.69Å; R238-D247 IonicContact NH2-OD2 3.66Å; R238-D247 PolarHBondContact NH2-OD2 3.38Å
239M86.5Confident88.4Confident51 Ų5136.9 Ų36.925%0.25119%0.19SC..Hα-helixtrans-65.7-38.1175.9-175.3-172.859.800112.7E95 I99 L152 A235 I236E95-M239 HydrophobicContact CB-SD 4.13Å; I99-M239 HydrophobicContact CD1-CE 3.31Å; I99-M239 HydrophobicContact CD1-SD 3.85Å; I99-M239 HydrophobicContact CG1-CE 3.58Å; I99-M239 HydrophobicContact CG1-SD 3.57Å; I99-M239 VanDerWaalsContact CG1-SD 3.57Å; L152-M239 HydrophobicContact CD1-CE 3.43Å; L152-M239 VanDerWaalsContact CD1-CE 3.43Å; L152-M239 HydrophobicContact CD2-CE 3.46Å; L152-M239 VanDerWaalsContact CD2-CE 3.46Å; L152-M239 HydrophobicContact CD2-SD 4.18Å; L152-M239 HydrophobicContact CG-CE 3.95Å; A235-M239 WeakPolarHBondContact O-CB 3.29Å; A235-M239 PolarHBondContact O-N 2.85Å; I236-M239 PolarHBondContact O-N 3.34Å
240L85.3Confident88.2Confident22 Ų2241.5 Ų41.512%0.11521%0.21CC..Hα-helixtrans-78.4-36.5-176.2-67.1169.8000113.7L152 L159 I236 I237 L1046 I1055L152-L240 HydrophobicContact CD1-CD2 3.97Å; L152-L240 HydrophobicContact CG-CD2 3.87Å; L159-L240 HydrophobicContact CD1-CD1 3.66Å; L159-L240 HydrophobicContact CD1-CD2 4.47Å; I236-L240 HydrophobicContact CG2-CD1 3.65Å; I236-L240 HydrophobicContact CG2-CG 4.28Å; I236-L240 VanDerWaalsContact O-CG 3.24Å; I236-L240 WeakPolarHBondContact O-CG 3.38Å; I236-L240 PolarHBondContact O-N 3.04Å; I237-L240 PolarHBondContact O-N 2.84Å; L240-L1046 HydrophobicContact CD1-CD1 3.85Å; L240-I1055 VanDerWaalsContact O-CD1 3.28Å; L240-I1055 WeakPolarHBondContact O-CD1 3.26Å
241T84.9Confident88.1Confident15 Ų1541.6 Ų41.69%0.09221%0.21CC..Hα-helixtrans-104.7-21.2-173.163.30000112.5I237 S243 L1046 L1049I237-T241 PolarHBondContact O-N 2.8Å; I237-T241 PolarHBondContact O-OG1 3.37Å; T241-S243 PolarHBondContact O-N 3Å; T241-S243 PolarHBondContact OG1-N 3.46Å; T241-L1046 HydrophobicContact CG2-CD1 4.5Å; T241-L1049 HydrophobicContact CG2-CB 3.75Å
242N81.6Confident88.2Confident145 Ų14542 Ų4278%0.77521%0.213SC*.  trans50.922-172.6-150.422000113.4R238R238-N242 WeakPolarHBondContact O-CA 3.22Å; R238-N242 PolarHBondContact O-N 2.94Å
243S79.5Confident88.2Confident18 Ų1842 Ų4213%0.12621%0.213CC..  trans-85.9133.4-174.3-179.20000111.3T241 E245T241-S243 PolarHBondContact O-N 3Å; T241-S243 PolarHBondContact OG1-N 3.46Å; S243-E245 VanDerWaalsContact OG-CB 3.31Å; S243-E245 WeakPolarHBondContact OG-CB 3.41Å; S243-E245 WeakPolarHBondContact OG-CG 3.19Å; S243-E245 PolarHBondContact OG-N 3.34Å
244T80.1Confident88.2Confident119 Ų11945 Ų4573%0.7322%0.224SC*.G310 helixtrans-77.3-10.3169.450.50000112.7L246T244-L246 PolarHBondContact O-N 2.86Å
245E84.2Confident88.2Confident85 Ų8543.6 Ų43.640%0.39722%0.218SC..G310 helixtrans-72.9-13.3179.5-59.7176.8160.800112.8S243 D247 N248 Y249 L1049S243-E245 VanDerWaalsContact OG-CB 3.31Å; S243-E245 WeakPolarHBondContact OG-CB 3.41Å; S243-E245 WeakPolarHBondContact OG-CG 3.19Å; S243-E245 PolarHBondContact OG-N 3.34Å; E245-D247 PolarHBondContact O-N 3.33Å; E245-N248 WeakPolarHBondContact O-CB 3.43Å; E245-N248 PolarHBondContact O-N 3.37Å; E245-Y249 VanDerWaalsContact O-CD2 3.31Å; E245-Y249 WeakPolarHBondContact O-CD2 3.36Å; E245-Y249 WeakPolarHBondContact O-CE2 3.41Å; E245-L1049 HydrophobicContact CB-CD2 3.93Å
246L85.8Confident88.3Confident2 Ų243.8 Ų43.81%0.0122%0.218CC..G310 helixtrans-54.3-37.2178.8-179.358.6000112.6K234 I237 R238 T244 N248 Y249 I1045 L1049K234-L246 HydrophobicContact CB-CD2 4.08Å; K234-L246 HydrophobicContact CG-CD1 4.45Å; K234-L246 HydrophobicContact CG-CD2 4.12Å; K234-L246 HydrophobicContact CG-CG 4.44Å; K234-L246 WeakPolarHBondContact O-CD2 3.44Å; I237-L246 HydrophobicContact CB-CD1 4.38Å; I237-L246 HydrophobicContact CB-CD2 4.26Å; I237-L246 HydrophobicContact CD1-CD1 4.42Å; I237-L246 HydrophobicContact CG2-CD1 3.8Å; I237-L246 HydrophobicContact CG2-CD2 4.14Å; R238-L246 HydrophobicContact CB-CD2 4.04Å; T244-L246 PolarHBondContact O-N 2.86Å; L246-N248 PolarHBondContact O-N 3.42Å; L246-Y249 PolarHBondContact O-N 3.22Å; L246-I1045 HydrophobicContact CD1-CG2 3.48Å; L246-I1045 VanDerWaalsContact CD1-CG2 3.48Å; L246-L1049 HydrophobicContact CB-CD1 4.05Å; L246-L1049 HydrophobicContact CD1-CD1 3.97Å
247D85.7Confident88.3Confident90 Ų9044.1 Ų44.148%0.48122%0.22SC..G310 helixtrans-76.7-7.9-178.3-65.5-38000113.1R238 E245 Y249R238-D247 IonicContact CZ-OD2 3.71Å; R238-D247 IonicContact NH2-OD1 2.69Å; R238-D247 IonicContact NH2-OD2 3.66Å; R238-D247 PolarHBondContact NH2-OD2 3.38Å; E245-D247 PolarHBondContact O-N 3.33Å; D247-Y249 VanDerWaalsContact C-N 3.32Å
248N89Confident88.2Confident45 Ų4544.8 Ų44.824%0.24122%0.223CC..G310 helixtrans-78.8-17.4174.9-66.1-8000112.9E245 L246 N1018 N1019 T1020E245-N248 WeakPolarHBondContact O-CB 3.43Å; E245-N248 PolarHBondContact O-N 3.37Å; L246-N248 PolarHBondContact O-N 3.42Å; N248-N1018 VanDerWaalsContact CB-O 3.23Å; N248-N1018 WeakPolarHBondContact CB-O 3.41Å; N248-N1018 PolarHBondContact ND2-O 2.93Å; N248-N1019 VanDerWaalsContact O-CA 3.32Å; N248-N1019 WeakPolarHBondContact O-CA 3.13Å; N248-T1020 PolarHBondContact O-N 3.21Å
249Y90.1Very high88.1Confident31 Ų3140.7 Ų40.712%0.12221%0.21CC..EExtended strand (participates in β ladder)trans-95.8105.5179.1-59.8-78.5000109.8E245 L246 D247 I964 T1020 M1022 I1045 L1048 L1049E245-Y249 VanDerWaalsContact O-CD2 3.31Å; E245-Y249 WeakPolarHBondContact O-CD2 3.36Å; E245-Y249 WeakPolarHBondContact O-CE2 3.41Å; L246-Y249 PolarHBondContact O-N 3.22Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; Y249-I964 HydrophobicContact CD1-CD1 3.5Å; Y249-I964 HydrophobicContact CE1-CD1 3.58Å; Y249-I964 HydrophobicContact CG-CD1 4.41Å; Y249-T1020 WeakPolarHBondContact CA-O 3.41Å; Y249-M1022 HydrophobicContact CD1-SD 4.19Å; Y249-I1045 HydrophobicContact CD2-CG2 4.25Å; Y249-I1045 HydrophobicContact CG-CG1 4.36Å; Y249-L1048 HydrophobicContact CE1-CD2 3.8Å; Y249-L1048 HydrophobicContact CE2-CD2 4.25Å; Y249-L1048 VanDerWaalsContact CZ-CD2 3.47Å; Y249-L1048 WeakPolarHBondContact OH-CD2 3.44Å; Y249-L1049 HydrophobicContact CE2-CD2 4.16Å
250K91.1Very high88Confident97 Ų9741.4 Ų41.442%0.42222%0.219SC..EExtended strand (participates in β ladder)trans-88.4129.2174.9-68.2-171.5175.2-168.90109.7T1020 M1021 M1022K250-T1020 PolarHBondContact N-O 2.86Å; K250-M1021 HydrophobicContact CB-CE 3.95Å; K250-M1021 HydrophobicContact CB-SD 3.7Å; K250-M1021 HydrophobicContact CD-CE 4.01Å; K250-M1022 PolarHBondContact O-N 3.33Å
251V93Very high87.9Confident2 Ų241 Ų411%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-104.4127179.7-178.50000109.4I61 M1022 L1038 L1041 I1045I61-V251 HydrophobicContact CG2-CB 3.95Å; I61-V251 HydrophobicContact CG2-CG1 3.73Å; I61-V251 PolarHBondContact N-O 2.62Å; V251-M1022 WeakPolarHBondContact CA-O 3.5Å; V251-L1038 HydrophobicContact CG1-CD1 3.94Å; V251-L1041 HydrophobicContact CG1-CD1 3.67Å; V251-I1045 HydrophobicContact CG2-CD1 4.04Å
252S93.2Very high87.6Confident14 Ų1442.3 Ų42.310%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-121.2144.8170.1179.10000109.7F59 M1022 T1023 G1024F59-S252 CarbonylContact O-C 3.25Å; F59-S252 VanDerWaalsContact O-CA 3.23Å; F59-S252 WeakPolarHBondContact O-CA 3.22Å; F59-S252 PolarHBondContact O-OG 2.95Å; S252-M1022 PolarHBondContact N-O 3.11Å; S252-T1023 CarbonylContact O-C 3.55Å; S252-T1023 VanDerWaalsContact O-CA 3.28Å; S252-T1023 WeakPolarHBondContact O-CA 3.48Å; S252-G1024 PolarHBondContact O-N 3.26Å
253L94.5Very high87.2Confident0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-116.2135.2177-64.4169.9000109.1G58 F59 I61 L226 G1024 L1034 L1038 L1041G58-L253 CarbonylContact C-O 3.5Å; G58-L253 VanDerWaalsContact CA-O 3.24Å; G58-L253 WeakPolarHBondContact CA-O 3.36Å; F59-L253 WeakPolarHBondContact CD1-O 3.39Å; F59-L253 HydrophobicContact CD2-CB 4.41Å; F59-L253 HydrophobicContact CE1-CB 4.06Å; F59-L253 HydrophobicContact CE2-CB 3.86Å; F59-L253 HydrophobicContact CE2-CD1 3.99Å; F59-L253 HydrophobicContact CE2-CG 4.47Å; F59-L253 HydrophobicContact CZ-CB 3.67Å; F59-L253 HydrophobicContact CZ-CD1 4.2Å; F59-L253 PolarHBondContact N-O 3.01Å; F59-L253 PolarHBondContact O-N 3.09Å; I61-L253 HydrophobicContact CG2-CD1 4.24Å; I61-L253 HydrophobicContact CG2-CG 4.47Å; L226-L253 HydrophobicContact CD1-CD1 4.07Å; L253-G1024 CarbonylContact C-O 3.54Å; L253-G1024 WeakPolarHBondContact CA-O 3.31Å; L253-L1034 HydrophobicContact CB-CD1 4.08Å; L253-L1034 HydrophobicContact CD1-CD1 3.78Å; L253-L1034 HydrophobicContact CD2-CD1 4.41Å; L253-L1034 HydrophobicContact CG-CD1 4.3Å; L253-L1038 HydrophobicContact CD1-CB 4.38Å; L253-L1038 HydrophobicContact CD1-CD1 4.46Å; L253-L1038 HydrophobicContact CD2-CB 4.31Å; L253-L1041 HydrophobicContact CD2-CD1 4Å
254R94.1Very high86.9Confident64 Ų6437.7 Ų37.724%0.24220%0.196CC..EExtended strand (participates in β ladder)trans-140.7136.4-177.3-171.8166.4177.2-169.4-4.9111.9D55 Y56 T1023 G1024 Y1025 F1026D55-R254 VanDerWaalsContact CG-NH2 3.28Å; D55-R254 IonicContact OD1-CZ 3.25Å; D55-R254 IonicContact OD1-NE 2.94Å; D55-R254 IonicContact OD1-NH2 2.74Å; D55-R254 PolarHBondContact OD1-NH2 2.99Å; D55-R254 IonicContact OD2-NH2 2.81Å; D55-R254 PolarHBondContact OD2-NH2 3.15Å; D55-R254 VanDerWaalsContact OD2-NH2 3.15Å; Y56-R254 PolarHBondContact O-NE 2.98Å; Y56-R254 PolarHBondContact O-NH2 3.37Å; R254-T1023 HydrophobicContact CB-CG2 3.91Å; R254-G1024 PolarHBondContact N-O 3.15Å; R254-Y1025 HydrophobicContact CB-CD1 3.99Å; R254-Y1025 HydrophobicContact CB-CE1 4.02Å; R254-Y1025 HydrophobicContact CG-CD1 4.14Å; R254-Y1025 HydrophobicContact CG-CE1 3.91Å; R254-Y1025 CarbonylContact O-C 3.57Å; R254-Y1025 WeakPolarHBondContact O-CA 3.41Å; R254-F1026 WeakPolarHBondContact O-CD1 3.28Å; R254-F1026 WeakPolarHBondContact O-CE1 3.4Å; R254-F1026 PolarHBondContact O-N 2.64Å
255R93.3Very high86.5Confident4 Ų433.9 Ų33.92%0.01518%0.18CC..EExtended strand (participates in β ladder)trans-77.6145.2178.4179.5176.2169.7169.27.4111.4Y56 P207 R208 E209 Y212 S213 F1026 N1028Y56-R255 HydrophobicContact CD2-CB 4.05Å; Y56-R255 HydrophobicContact CD2-CG 3.72Å; Y56-R255 HydrophobicContact CE2-CG 4.11Å; Y56-R255 HydrophobicContact CG-CB 3.94Å; Y56-R255 HydrophobicContact CG-CG 3.98Å; Y56-R255 VanDerWaalsContact CZ-CZ 3.42Å; Y56-R255 PolarHBondContact OH-NH2 3.28Å; P207-R255 VanDerWaalsContact CB-NH2 3.26Å; R208-R255 PolarHBondContact O-NH1 3.44Å; R208-R255 PolarHBondContact O-NH2 2.68Å; E209-R255 PolarHBondContact O-NH1 3.3Å; Y212-R255 PolarHBondContact O-NH1 3.12Å; S213-R255 WeakPolarHBondContact O-CB 3.26Å; R255-F1026 HydrophobicContact CB-CE1 3.99Å; R255-F1026 HydrophobicContact CB-CE2 4.08Å; R255-F1026 HydrophobicContact CB-CZ 3.64Å; R255-F1026 HydrophobicContact CG-CE2 4.2Å; R255-F1026 HydrophobicContact CG-CZ 4.25Å; R255-N1028 HydrophobicContact CG-CB 4.09Å; R255-N1028 VanDerWaalsContact CZ-ND2 3.28Å; R255-N1028 VanDerWaalsContact NE-CB 3.31Å; R255-N1028 PolarHBondContact NH1-ND2 3.04Å; R255-N1028 PolarHBondContact NH2-ND2 3.13Å
256F92.6Very high86.3Confident10 Ų1029.9 Ų29.94%0.04416%0.161CC..PPolyproline II helixtrans-58.9139.7170.9-77.712.1000111.2Y56 V990 F1002 C1006 A1009 Y1025 F1026 N1027Y56-F256 WeakPolarHBondContact CD2-O 3.43Å; Y56-F256 WeakPolarHBondContact CE2-O 3.5Å; F256-V990 HydrophobicContact CB-CG1 4.48Å; F256-V990 HydrophobicContact CB-CG2 4.36Å; F256-V990 HydrophobicContact CD1-CG2 4.43Å; F256-V990 HydrophobicContact CD2-CG2 4.05Å; F256-V990 HydrophobicContact CE2-CG2 4.46Å; F256-V990 HydrophobicContact CG-CG2 4.03Å; F256-F1002 AromaticContact CD2-CE1 3.81Å; F256-F1002 HydrophobicContact CD2-CE1 3.81Å; F256-F1002 AromaticContact CD2-CZ 3.53Å; F256-F1002 HydrophobicContact CD2-CZ 3.53Å; F256-F1002 HydrophobicContact CE2-CE1 4.19Å; F256-F1002 AromaticContact CE2-CZ 3.66Å; F256-F1002 HydrophobicContact CE2-CZ 3.66Å; F256-C1006 HydrophobicContact CE2-CB 4.06Å; F256-C1006 WeakPolarHBondContact CE2-O 3.38Å; F256-A1009 HydrophobicContact CE1-CB 3.81Å; F256-A1009 HydrophobicContact CZ-CB 3.93Å; F256-Y1025 VanDerWaalsContact CE1-CB 3.47Å; F256-F1026 VanDerWaalsContact CD1-C 3.47Å; F256-F1026 WeakPolarHBondContact CD1-O 3.32Å; F256-F1026 PolarHBondContact N-O 3.18Å; F256-N1027 HydrophobicContact CD2-CB 3.63Å; F256-N1027 HydrophobicContact CE2-CB 3.79Å; F256-N1027 HydrophobicContact CG-CB 4.26Å
257A90.3Very high85.9Confident6 Ų630 Ų305%0.0516%0.162CC..PPolyproline II helixtrans-60.2139.4167.600000110.4R54 T987 V990R54-A257 CarbonylContact O-C 3.59Å; R54-A257 WeakPolarHBondContact O-CA 3.37Å; A257-T987 HydrophobicContact CB-CG2 3.73Å; A257-V990 WeakPolarHBondContact O-CG1 3.24Å
258Y89Confident85.3Confident14 Ų1428 Ų286%0.05515%0.153CC..BIsolated β-bridgetrans-102.7135.7177.6-163.9-91.6000109.8Y53 R54 G206 P207 Y261 Q999Y53-Y258 VanDerWaalsContact CA-O 3.28Å; Y53-Y258 WeakPolarHBondContact CA-O 3.31Å; Y53-Y258 WeakPolarHBondContact CB-O 3.4Å; R54-Y258 PolarHBondContact N-O 3.46Å; R54-Y258 PolarHBondContact O-N 3.22Å; G206-Y258 VanDerWaalsContact C-CZ 3.4Å; P207-Y258 HydrophobicContact CB-CD1 3.99Å; P207-Y258 HydrophobicContact CB-CD2 3.85Å; P207-Y258 HydrophobicContact CB-CE2 4.42Å; P207-Y258 HydrophobicContact CB-CG 3.6Å; P207-Y258 VanDerWaalsContact CD-CD1 3.43Å; P207-Y258 HydrophobicContact CG-CD1 3.7Å; P207-Y258 HydrophobicContact CG-CD2 4.48Å; P207-Y258 HydrophobicContact CG-CE1 4.32Å; P207-Y258 HydrophobicContact CG-CG 3.8Å; Y258-Y261 AromaticContact CD1-CD1 3.73Å; Y258-Y261 HydrophobicContact CD1-CD1 3.73Å; Y258-Y261 HydrophobicContact CD1-CE1 4.23Å; Y258-Y261 HydrophobicContact CD1-CG 4.4Å; Y258-Y261 AromaticContact CE1-CD1 3.79Å; Y258-Y261 HydrophobicContact CE1-CD1 3.79Å; Y258-Y261 AromaticContact CE1-CG 3.98Å; Y258-Y261 HydrophobicContact CE1-CG 3.98Å; Y258-Q999 VanDerWaalsContact CE2-NE2 3.31Å
259P87.1Confident84.9Confident20 Ų2025.9 Ų25.913%0.1314%0.142CC..PPolyproline II helixtrans-64.1166.1-179.133-43.3000112.3Y261 L991 V994 Q999P259-Y261 PolarHBondContact O-N 3.48Å; P259-L991 HydrophobicContact CB-CD2 4.05Å; P259-V994 HydrophobicContact CB-CG1 4.19Å; P259-V994 HydrophobicContact CG-CG1 3.98Å; P259-Q999 VanDerWaalsContact CG-OE1 3.22Å
260P84.4Confident84.5Confident67 Ų6724.6 Ų24.644%0.43514%0.137SC..PPolyproline II helixtrans-57.3137.1172.1-18.730.9000111.1K51K51-P260 WeakPolarHBondContact O-CA 3.15Å
261Y82.7Confident83.9Confident12 Ų1220.3 Ų20.35%0.04712%0.119CC..EExtended strand (participates in β ladder)trans-143.2160.4-177.769.4-78.5000111.4K51 G206 P207 Y258 P259 D263K51-Y261 HydrophobicContact CB-CD1 3.95Å; K51-Y261 HydrophobicContact CB-CE1 3.53Å; K51-Y261 HydrophobicContact CB-CE2 4.22Å; K51-Y261 HydrophobicContact CB-CG 4.44Å; K51-Y261 HydrophobicContact CG-CE1 4.13Å; K51-Y261 HydrophobicContact CG-CE2 4.08Å; K51-Y261 PolarHBondContact N-O 3.49Å; K51-Y261 PolarHBondContact O-N 3.31Å; G206-Y261 VanDerWaalsContact CA-CD2 3.42Å; P207-Y261 WeakPolarHBondContact CD-OH 3.31Å; P207-Y261 HydrophobicContact CG-CD1 4.43Å; P207-Y261 HydrophobicContact CG-CE1 3.68Å; Y258-Y261 AromaticContact CD1-CD1 3.73Å; Y258-Y261 HydrophobicContact CD1-CD1 3.73Å; Y258-Y261 HydrophobicContact CD1-CE1 4.23Å; Y258-Y261 HydrophobicContact CD1-CG 4.4Å; Y258-Y261 AromaticContact CE1-CD1 3.79Å; Y258-Y261 HydrophobicContact CE1-CD1 3.79Å; Y258-Y261 AromaticContact CE1-CG 3.98Å; Y258-Y261 HydrophobicContact CE1-CG 3.98Å; P259-Y261 PolarHBondContact O-N 3.48Å; Y261-D263 HydrophobicContact CD2-CB 4.45Å; Y261-D263 HydrophobicContact CE2-CB 3.92Å
262N77.4Confident83.2Confident43 Ų4323.2 Ų23.223%0.2313%0.132CC..EExtended strand (participates in β ladder)trans-99.5107.4174.5-73.8-9.2000108.7H50 N205 N264H50-N262 PolarHBondContact ND1-OD1 3.45Å; N205-N262 VanDerWaalsContact CG-O 3.29Å; N205-N262 PolarHBondContact ND2-O 3.49Å; N205-N262 PolarHBondContact OD1-O 2.89Å; N262-N264 PolarHBondContact O-N 2.88Å
263D73.2Confident82.7Confident64 Ų6423.1 Ų23.134%0.34213%0.13SC..EExtended strand (participates in β ladder)trans-68.1118.1174.1-1703.3000109.6S48 S49 K51 Y261S48-D263 VanDerWaalsContact CA-O 3.26Å; S48-D263 WeakPolarHBondContact CA-O 3.48Å; S49-D263 PolarHBondContact N-O 2.93Å; S49-D263 PolarHBondContact O-N 3.21Å; K51-D263 HydrophobicContact CG-CB 4.19Å; Y261-D263 HydrophobicContact CD2-CB 4.45Å; Y261-D263 HydrophobicContact CE2-CB 3.92Å
264N75Confident82.4Confident3 Ų323.4 Ų23.42%0.01613%0.132CC..  trans-14699.5-175.9-173.52.7000109.5N205 N262 F266 T267 D349N205-N264 PolarHBondContact ND2-N 3.2Å; N205-N264 VanDerWaalsContact ND2-N 3.15Å; N262-N264 PolarHBondContact O-N 2.88Å; N264-F266 PolarHBondContact O-N 2.79Å; N264-F266 VanDerWaalsContact O-N 3.09Å; N264-F266 WeakPolarHBondContact OD1-CB 3.45Å; N264-F266 PolarHBondContact OD1-N 3.36Å; N264-F266 VanDerWaalsContact OD1-N 3.08Å; N264-T267 PolarHBondContact O-N 2.88Å; N264-T267 PolarHBondContact O-OG1 3.33Å; N264-D349 PolarHBondContact ND2-OD2 3.28Å
265G69.8Low82.2Confident38 Ų3820.4 Ų20.439%0.39212%0.12SC..THydrogen-bonded Turntrans-61.5-14.5175.800000114.2T267 T268G265-T267 PolarHBondContact O-N 2.88Å; G265-T268 PolarHBondContact O-N 3.5Å
266F81.4Confident81.9Confident1 Ų120.3 Ų20.30%0.00412%0.12CC..Hα-helixtrans-68.5-18.9176.6-155.7-94.6000113.2L39 L42 R43 V46 N264 T268 V269 I270 I347 L1222L39-F266 HydrophobicContact CB-CZ 4.14Å; L39-F266 HydrophobicContact CD2-CZ 4.11Å; L39-F266 WeakPolarHBondContact O-CZ 3.43Å; L42-F266 HydrophobicContact CB-CE2 4.08Å; R43-F266 HydrophobicContact CB-CD2 4.25Å; R43-F266 HydrophobicContact CB-CE2 4.01Å; R43-F266 HydrophobicContact CB-CZ 4.15Å; V46-F266 HydrophobicContact CG2-CD2 4.35Å; N264-F266 PolarHBondContact O-N 2.79Å; N264-F266 VanDerWaalsContact O-N 3.09Å; N264-F266 WeakPolarHBondContact OD1-CB 3.45Å; N264-F266 PolarHBondContact OD1-N 3.36Å; N264-F266 VanDerWaalsContact OD1-N 3.08Å; F266-T268 VanDerWaalsContact C-N 3.29Å; F266-T268 PolarHBondContact O-N 3.01Å; F266-V269 HydrophobicContact CD2-CB 4.46Å; F266-V269 HydrophobicContact CE1-CG1 4.48Å; F266-V269 HydrophobicContact CE2-CG1 4.26Å; F266-V269 HydrophobicContact CZ-CG1 4.16Å; F266-V269 WeakPolarHBondContact O-CB 3.15Å; F266-V269 PolarHBondContact O-N 3.26Å; F266-V269 VanDerWaalsContact O-N 3.12Å; F266-I270 HydrophobicContact CD1-CD1 3.92Å; F266-I270 HydrophobicContact CD1-CG1 3.9Å; F266-I270 HydrophobicContact CE1-CD1 4.44Å; F266-I270 HydrophobicContact CE1-CG1 4.07Å; F266-I270 PolarHBondContact O-N 3.32Å; F266-I347 HydrophobicContact CD1-CG2 4.1Å; F266-I347 HydrophobicContact CE1-CB 4.41Å; F266-I347 HydrophobicContact CE1-CG1 4.14Å; F266-I347 HydrophobicContact CE1-CG2 3.65Å; F266-L1222 HydrophobicContact CD2-CD1 3.94Å; F266-L1222 HydrophobicContact CD2-CD2 4.13Å; F266-L1222 HydrophobicContact CE2-CD1 4.02Å
267T77Confident81.5Confident4 Ų420 Ų203%0.02512%0.119CC..Hα-helixtrans-59.2-39.2176-56.80000112.1N264 G265 V269 I270 Q271N264-T267 PolarHBondContact O-N 2.88Å; N264-T267 PolarHBondContact O-OG1 3.33Å; G265-T267 PolarHBondContact O-N 2.88Å; T267-V269 VanDerWaalsContact C-N 3.3Å; T267-V269 PolarHBondContact O-N 2.94Å; T267-I270 WeakPolarHBondContact O-CB 3.32Å; T267-I270 PolarHBondContact O-N 2.83Å; T267-I270 VanDerWaalsContact O-N 3.15Å; T267-Q271 WeakPolarHBondContact O-CG 3.41Å; T267-Q271 PolarHBondContact O-N 2.87Å
268T73.9Confident81.5Confident49 Ų4919.9 Ų19.930%0.30112%0.118SC..Hα-helixtrans-62-40.2176.1-51.40000111.3G265 F266 I270 Q271 Q272 I1221G265-T268 PolarHBondContact O-N 3.5Å; F266-T268 VanDerWaalsContact C-N 3.29Å; F266-T268 PolarHBondContact O-N 3.01Å; T268-I270 VanDerWaalsContact C-N 3.33Å; T268-I270 PolarHBondContact O-N 3.35Å; T268-Q271 PolarHBondContact O-N 2.93Å; T268-Q272 WeakPolarHBondContact O-CB 3.04Å; T268-Q272 PolarHBondContact O-N 3.3Å; T268-I1221 HydrophobicContact CG2-CG2 4.47Å
269V79.5Confident81.4Confident1 Ų119.4 Ų19.41%0.00612%0.116CC..Hα-helixtrans-62.8-41.1175.3176.20000110.9L39 F266 T267 H273 L274 I1218 I1221 L1222L39-V269 HydrophobicContact CD2-CG1 4.31Å; F266-V269 HydrophobicContact CD2-CB 4.46Å; F266-V269 HydrophobicContact CE1-CG1 4.48Å; F266-V269 HydrophobicContact CE2-CG1 4.26Å; F266-V269 HydrophobicContact CZ-CG1 4.16Å; F266-V269 WeakPolarHBondContact O-CB 3.15Å; F266-V269 PolarHBondContact O-N 3.26Å; F266-V269 VanDerWaalsContact O-N 3.12Å; T267-V269 VanDerWaalsContact C-N 3.3Å; T267-V269 PolarHBondContact O-N 2.94Å; V269-H273 WeakPolarHBondContact O-CA 3.38Å; V269-H273 WeakPolarHBondContact O-CB 3.25Å; V269-H273 PolarHBondContact O-N 2.8Å; V269-L274 PolarHBondContact O-N 2.85Å; V269-I1218 HydrophobicContact CB-CG2 4.44Å; V269-I1218 HydrophobicContact CG1-CB 4.46Å; V269-I1218 HydrophobicContact CG1-CD1 4.09Å; V269-I1218 HydrophobicContact CG1-CG1 4Å; V269-I1218 HydrophobicContact CG1-CG2 3.62Å; V269-I1218 HydrophobicContact CG2-CG2 3.9Å; V269-I1221 HydrophobicContact CG2-CG2 4.11Å; V269-L1222 HydrophobicContact CG2-CD1 4.29Å; V269-L1222 HydrophobicContact CG2-CD2 3.68Å; V269-L1222 HydrophobicContact CG2-CG 3.9Å
270I82.3Confident81.2Confident4 Ų418.6 Ų18.62%0.02111%0.111CC..Hα-helixtrans-61.2-49.3176.1-67.6161.9000110.4F266 T267 T268 Q272 L274 I347 L348F266-I270 HydrophobicContact CD1-CD1 3.92Å; F266-I270 HydrophobicContact CD1-CG1 3.9Å; F266-I270 HydrophobicContact CE1-CD1 4.44Å; F266-I270 HydrophobicContact CE1-CG1 4.07Å; F266-I270 PolarHBondContact O-N 3.32Å; T267-I270 WeakPolarHBondContact O-CB 3.32Å; T267-I270 PolarHBondContact O-N 2.83Å; T267-I270 VanDerWaalsContact O-N 3.15Å; T268-I270 VanDerWaalsContact C-N 3.33Å; T268-I270 PolarHBondContact O-N 3.35Å; I270-Q272 PolarHBondContact O-N 3.2Å; I270-L274 HydrophobicContact CG2-CB 4.48Å; I270-L274 HydrophobicContact CG2-CD2 3.9Å; I270-L274 WeakPolarHBondContact O-CB 3.39Å; I270-L274 PolarHBondContact O-N 2.91Å; I270-I347 HydrophobicContact CD1-CG2 3.93Å; I270-I347 WeakPolarHBondContact CD1-O 3.47Å; I270-I347 HydrophobicContact CG1-CG2 4.16Å; I270-L348 HydrophobicContact CD1-CD2 3.87Å; I270-L348 HydrophobicContact CG2-CD2 4.27Å
271Q78.2Confident81.2Confident7 Ų715.4 Ų15.43%0.0339%0.09CC..Hα-helixtrans-65.2-39.4-176.6-70170.9-0.800113P202 P203 T267 T268 G433P202-Q271 VanDerWaalsContact CB-OE1 3.24Å; P203-Q271 PolarHBondContact O-NE2 2.85Å; T267-Q271 WeakPolarHBondContact O-CG 3.41Å; T267-Q271 PolarHBondContact O-N 2.87Å; T268-Q271 PolarHBondContact O-N 2.93Å; Q271-G433 PolarHBondContact NE2-O 2.91Å
272Q77.8Confident81.4Confident62 Ų6214.8 Ų14.829%0.299%0.088SC..Hα-helixtrans-94.4-37.2-172.6-65.2-177.6-5.700113.9T268 I270T268-Q272 WeakPolarHBondContact O-CB 3.04Å; T268-Q272 PolarHBondContact O-N 3.3Å; I270-Q272 PolarHBondContact O-N 3.2Å
273H83.9Confident81.7Confident12 Ų1213.1 Ų13.16%0.0568%0.08CC..Hα-helixtrans-115.8-23.2-167.8-64.9-56.1000115V269 P275 V276 V277 V1214 I1218 I1221V269-H273 WeakPolarHBondContact O-CA 3.38Å; V269-H273 WeakPolarHBondContact O-CB 3.25Å; V269-H273 PolarHBondContact O-N 2.8Å; H273-P275 VanDerWaalsContact C-N 3.32Å; H273-V276 PolarHBondContact O-N 3.25Å; H273-V276 VanDerWaalsContact O-N 3.11Å; H273-V277 WeakPolarHBondContact O-CG2 3.42Å; H273-V277 PolarHBondContact O-N 2.76Å; H273-V1214 HydrophobicContact CB-CG1 4.44Å; H273-I1218 HydrophobicContact CB-CD1 3.96Å; H273-I1218 HydrophobicContact CB-CG1 4.02Å; H273-I1221 WeakPolarHBondContact NE2-CD1 3.32Å
274L88.3Confident82.1Confident7 Ų710.8 Ų10.84%0.0377%0.066CC..Hα-helixtrans-56.5-37.8176.3-174.559.2000113.5L39 V269 I270 V276 V277 L278 L338 V429L39-L274 HydrophobicContact CD1-CD1 3.73Å; V269-L274 PolarHBondContact O-N 2.85Å; I270-L274 HydrophobicContact CG2-CB 4.48Å; I270-L274 HydrophobicContact CG2-CD2 3.9Å; I270-L274 WeakPolarHBondContact O-CB 3.39Å; I270-L274 PolarHBondContact O-N 2.91Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 2.76Å; L274-V277 PolarHBondContact O-N 2.84Å; L274-L278 HydrophobicContact CD1-CD2 4.39Å; L274-L278 HydrophobicContact CD1-CG 4.13Å; L274-L278 HydrophobicContact CG-CD1 4.47Å; L274-L278 HydrophobicContact CG-CG 4.33Å; L274-L278 WeakPolarHBondContact O-CG 3.08Å; L274-L278 PolarHBondContact O-N 3.25Å; L274-L338 HydrophobicContact CD1-CD2 4.18Å; L274-L338 HydrophobicContact CD2-CD2 4.45Å; L274-V429 HydrophobicContact CB-CG1 3.73Å; L274-V429 HydrophobicContact CD2-CG1 3.79Å; L274-V429 HydrophobicContact CG-CG1 3.71Å
275P90Very high82.6Confident0 Ų010.7 Ų10.70%07%0.066CC..Hα-helixtrans-57.1-43.3174.8-2533.6000113H273 L278 L279 Y396 M425 V429H273-P275 VanDerWaalsContact C-N 3.32Å; P275-L278 PolarHBondContact O-N 2.98Å; P275-L279 WeakPolarHBondContact O-CB 3.32Å; P275-L279 PolarHBondContact O-N 3.14Å; P275-Y396 HydrophobicContact CB-CE2 4.08Å; P275-M425 HydrophobicContact CB-CE 4.14Å; P275-M425 WeakPolarHBondContact O-CE 3.3Å; P275-V429 HydrophobicContact CG-CB 4Å; P275-V429 HydrophobicContact CG-CG1 3.67Å
276V85.8Confident83.5Confident2 Ų29 Ų91%0.0125%0.048CC..Hα-helixtrans-68.1-40.7178.5179.20000110.7H273 L274 L278 L279 L280 Y396 F1090 V1214H273-V276 PolarHBondContact O-N 3.25Å; H273-V276 VanDerWaalsContact O-N 3.11Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 2.76Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.3Å; V276-L279 WeakPolarHBondContact O-CB 3.32Å; V276-L279 PolarHBondContact O-N 2.67Å; V276-L280 HydrophobicContact CG1-CD1 4.04Å; V276-L280 HydrophobicContact CG1-CG 4.36Å; V276-L280 WeakPolarHBondContact O-CB 3.19Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 2.95Å; V276-Y396 HydrophobicContact CG2-CE1 4.04Å; V276-Y396 VanDerWaalsContact CG2-OH 3.23Å; V276-Y396 WeakPolarHBondContact CG2-OH 3.36Å; V276-F1090 HydrophobicContact CG1-CE2 3.71Å; V276-F1090 HydrophobicContact CG1-CZ 3.89Å; V276-V1214 HydrophobicContact CG1-CG2 3.99Å
277V85.6Confident83.6Confident4 Ų49.3 Ų9.32%0.0245%0.05CC..Hα-helixtrans-62-43.3177.6177.30000111F35 L39 H273 L274 S281 V1214F35-V277 HydrophobicContact CB-CG1 3.79Å; F35-V277 HydrophobicContact CD1-CG1 4.44Å; F35-V277 HydrophobicContact CG-CG1 4.37Å; L39-V277 HydrophobicContact CD1-CB 4.31Å; L39-V277 HydrophobicContact CD1-CG1 3.85Å; L39-V277 HydrophobicContact CD1-CG2 4.31Å; L39-V277 HydrophobicContact CD2-CG2 4.43Å; L39-V277 HydrophobicContact CG-CG1 4.42Å; H273-V277 WeakPolarHBondContact O-CG2 3.42Å; H273-V277 PolarHBondContact O-N 2.76Å; L274-V277 PolarHBondContact O-N 2.84Å; V277-S281 WeakPolarHBondContact O-CB 3.34Å; V277-S281 PolarHBondContact O-N 3.43Å; V277-S281 PolarHBondContact O-OG 2.84Å; V277-V1214 HydrophobicContact CG2-CG1 4.38Å
278L89.2Confident83.8Confident4 Ų410.6 Ų10.62%0.0216%0.055CC..Hα-helixtrans-67.5-42.7174.8-67.2-172.8000112.2L274 P275 V276 L280 S281 Y282 I334 L360 M425 V429L274-L278 HydrophobicContact CD1-CD2 4.39Å; L274-L278 HydrophobicContact CD1-CG 4.13Å; L274-L278 HydrophobicContact CG-CD1 4.47Å; L274-L278 HydrophobicContact CG-CG 4.33Å; L274-L278 WeakPolarHBondContact O-CG 3.08Å; L274-L278 PolarHBondContact O-N 3.25Å; P275-L278 PolarHBondContact O-N 2.98Å; V276-L278 VanDerWaalsContact C-N 3.35Å; V276-L278 PolarHBondContact O-N 3.3Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.45Å; L278-S281 WeakPolarHBondContact O-CB 3.21Å; L278-S281 PolarHBondContact O-N 2.83Å; L278-S281 VanDerWaalsContact O-N 3.12Å; L278-Y282 WeakPolarHBondContact O-CD2 3.34Å; L278-Y282 PolarHBondContact O-N 3.45Å; L278-I334 HydrophobicContact CD2-CD1 4.36Å; L278-I334 HydrophobicContact CD2-CG2 3.87Å; L278-L360 HydrophobicContact CD1-CD2 4.02Å; L278-M425 HydrophobicContact CB-CE 4.38Å; L278-M425 HydrophobicContact CB-SD 3.66Å; L278-M425 HydrophobicContact CD1-SD 4.33Å; L278-V429 HydrophobicContact CD1-CG2 3.55Å
279L87.7Confident84.5Confident3 Ų38.3 Ų8.32%0.0164%0.041CC..Hα-helixtrans-52.9-49.9174.9173.970.1000111.4P275 V276 S281 Y282 A283 Y396 N422P275-L279 WeakPolarHBondContact O-CB 3.32Å; P275-L279 PolarHBondContact O-N 3.14Å; V276-L279 WeakPolarHBondContact O-CB 3.32Å; V276-L279 PolarHBondContact O-N 2.67Å; L279-S281 VanDerWaalsContact C-N 3.34Å; L279-Y282 PolarHBondContact O-N 2.88Å; L279-A283 PolarHBondContact O-N 2.96Å; L279-A283 VanDerWaalsContact O-N 3.12Å; L279-Y396 HydrophobicContact CD2-CD1 3.99Å; L279-Y396 HydrophobicContact CD2-CD2 4.08Å; L279-Y396 HydrophobicContact CD2-CG 3.71Å; L279-N422 HydrophobicContact CD1-CB 4.07Å; L279-N422 VanDerWaalsContact CD1-CG 3.45Å; L279-N422 WeakPolarHBondContact CD1-ND2 3.28Å
280L83Confident84.9Confident3 Ų38.2 Ų8.22%0.0164%0.04CC..Hα-helixtrans-68.5-33.2179.4-66.6175.4000112.2F35 V276 L278 A283 L1206 L1210F35-L280 HydrophobicContact CE1-CB 3.93Å; F35-L280 HydrophobicContact CE1-CD1 4.33Å; F35-L280 HydrophobicContact CE2-CB 4.09Å; F35-L280 WeakPolarHBondContact CE2-O 3.46Å; F35-L280 HydrophobicContact CZ-CB 3.53Å; V276-L280 HydrophobicContact CG1-CD1 4.04Å; V276-L280 HydrophobicContact CG1-CG 4.36Å; V276-L280 WeakPolarHBondContact O-CB 3.19Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 2.95Å; L278-L280 VanDerWaalsContact C-N 3.31Å; L278-L280 PolarHBondContact O-N 3.45Å; L280-A283 PolarHBondContact O-N 2.89Å; L280-L1206 HydrophobicContact CD2-CD2 3.98Å; L280-L1206 HydrophobicContact CD2-CG 4.23Å; L280-L1210 HydrophobicContact CD1-CB 4.26Å; L280-L1210 HydrophobicContact CD2-CD1 4.21Å
281S84.2Confident84.8Confident0 Ų010.4 Ų10.40%05%0.048CC..Hα-helixtrans-61.4-42.9175.4-63.20000112.2F35 V277 L278 L279F35-S281 WeakPolarHBondContact CD2-OG 3.47Å; V277-S281 WeakPolarHBondContact O-CB 3.34Å; V277-S281 PolarHBondContact O-N 3.43Å; V277-S281 PolarHBondContact O-OG 2.84Å; L278-S281 WeakPolarHBondContact O-CB 3.21Å; L278-S281 PolarHBondContact O-N 2.83Å; L278-S281 VanDerWaalsContact O-N 3.12Å; L279-S281 VanDerWaalsContact C-N 3.34Å
282Y87.5Confident84.9Confident0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-84.8-17.4-179.5-78.4-95.8000114.2L278 L279 F284 S285 V286 L327 S331 I334 Y363L278-Y282 WeakPolarHBondContact O-CD2 3.34Å; L278-Y282 PolarHBondContact O-N 3.45Å; L279-Y282 PolarHBondContact O-N 2.88Å; Y282-F284 VanDerWaalsContact C-N 3.3Å; Y282-F284 PolarHBondContact O-N 3.12Å; Y282-S285 PolarHBondContact O-N 2.89Å; Y282-S285 VanDerWaalsContact O-N 3.13Å; Y282-V286 PolarHBondContact O-N 2.94Å; Y282-L327 HydrophobicContact CD1-CD2 4.34Å; Y282-L327 HydrophobicContact CE1-CD2 4.29Å; Y282-S331 PolarHBondContact OH-OG 3.45Å; Y282-I334 HydrophobicContact CE2-CD1 3.94Å; Y282-Y363 HydrophobicContact CD1-CE1 4.08Å; Y282-Y363 HydrophobicContact CD2-CD1 4.5Å; Y282-Y363 AromaticContact CD2-CE1 3.76Å; Y282-Y363 HydrophobicContact CD2-CE1 3.76Å; Y282-Y363 HydrophobicContact CE1-CD1 4.23Å; Y282-Y363 HydrophobicContact CE1-CE1 4.18Å; Y282-Y363 HydrophobicContact CE2-CD1 4.17Å; Y282-Y363 AromaticContact CE2-CE1 3.87Å; Y282-Y363 HydrophobicContact CE2-CE1 3.87Å; Y282-Y363 AromaticContact CG-CE1 3.86Å; Y282-Y363 HydrophobicContact CG-CE1 3.86Å
283A82.2Confident85.3Confident8 Ų89 Ų97%0.0665%0.046CC..Hα-helixtrans-55.5-43-175.400000112.8L279 L280 V287L279-A283 PolarHBondContact O-N 2.96Å; L279-A283 VanDerWaalsContact O-N 3.12Å; L280-A283 PolarHBondContact O-N 2.89Å; A283-V287 VanDerWaalsContact O-CG2 3.27Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 2.8Å
284F81.4Confident85.2Confident14 Ų148.5 Ų8.56%0.0614%0.043CC..Hα-helixtrans-63.3-46.6177.8179.9-93.3000112.1W24 L27 E28 L31 Y282 V286 V287 Y288 I1203W24-F284 HydrophobicContact CD2-CZ 4.4Å; W24-F284 HydrophobicContact CE3-CE1 4.02Å; W24-F284 HydrophobicContact CE3-CE2 4.02Å; W24-F284 AromaticContact CE3-CZ 3.3Å; W24-F284 HydrophobicContact CE3-CZ 3.3Å; W24-F284 HydrophobicContact CZ3-CE1 4.46Å; W24-F284 AromaticContact CZ3-CE2 3.77Å; W24-F284 HydrophobicContact CZ3-CE2 3.77Å; W24-F284 AromaticContact CZ3-CZ 3.54Å; W24-F284 HydrophobicContact CZ3-CZ 3.54Å; L27-F284 HydrophobicContact CB-CE1 3.93Å; L27-F284 HydrophobicContact CB-CE2 4.21Å; L27-F284 HydrophobicContact CB-CZ 3.6Å; L27-F284 HydrophobicContact CD1-CE2 4.48Å; L27-F284 HydrophobicContact CD1-CZ 4.26Å; E28-F284 HydrophobicContact CB-CD1 4.08Å; E28-F284 HydrophobicContact CB-CE1 3.85Å; E28-F284 HydrophobicContact CG-CD1 4.32Å; E28-F284 HydrophobicContact CG-CE1 4.43Å; L31-F284 HydrophobicContact CD2-CB 3.81Å; Y282-F284 VanDerWaalsContact C-N 3.3Å; Y282-F284 PolarHBondContact O-N 3.12Å; F284-V286 PolarHBondContact O-N 2.85Å; F284-V287 PolarHBondContact O-N 3.4Å; F284-Y288 WeakPolarHBondContact O-CB 3.45Å; F284-Y288 PolarHBondContact O-N 3.38Å; F284-I1203 HydrophobicContact CD2-CD1 3.66Å; F284-I1203 HydrophobicContact CD2-CG2 4.22Å; F284-I1203 HydrophobicContact CE2-CD1 4.24Å
285S85.8Confident84.7Confident1 Ų19.6 Ų9.61%0.0075%0.053CC..Hα-helixtrans-63.6-42.5-177.4-49.90000111.6E28 Y282 Y288 I289E28-S285 WeakPolarHBondContact CG-OG 3.15Å; Y282-S285 PolarHBondContact O-N 2.89Å; Y282-S285 VanDerWaalsContact O-N 3.13Å; S285-Y288 PolarHBondContact O-N 3.47Å; S285-I289 WeakPolarHBondContact O-CB 3.37Å; S285-I289 WeakPolarHBondContact O-CD1 3.33Å; S285-I289 WeakPolarHBondContact O-CG1 3.3Å; S285-I289 PolarHBondContact O-N 3.06Å
286V88Confident84.1Confident2 Ų210.4 Ų10.41%0.0126%0.058CC..Hα-helixtrans-62.5-44.9177.1168.70000111.8Y282 F284 Y288 S290 A367 Y370 W392Y282-V286 PolarHBondContact O-N 2.94Å; F284-V286 PolarHBondContact O-N 2.85Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.45Å; V286-S290 PolarHBondContact O-N 3.46Å; V286-S290 PolarHBondContact O-OG 2.86Å; V286-A367 HydrophobicContact CG2-CB 4.4Å; V286-Y370 HydrophobicContact CG1-CD1 4.37Å; V286-Y370 HydrophobicContact CG1-CE1 4.16Å; V286-W392 HydrophobicContact CB-CD2 4.35Å; V286-W392 HydrophobicContact CG1-CB 4.36Å; V286-W392 HydrophobicContact CG1-CD2 4.05Å; V286-W392 HydrophobicContact CG1-CE3 4.09Å; V286-W392 HydrophobicContact CG1-CG 4.23Å; V286-W392 HydrophobicContact CG2-CD2 3.95Å; V286-W392 HydrophobicContact CG2-CE3 4.1Å; V286-W392 HydrophobicContact CG2-CH2 3.91Å; V286-W392 HydrophobicContact CG2-CZ2 3.74Å; V286-W392 HydrophobicContact CG2-CZ3 4.09Å
287V84.3Confident83.7Confident9 Ų912.2 Ų12.26%0.0557%0.065CC..Hα-helixtrans-63.5-39.6177171.20000111.4A283 F284 S290 R291 A385 V1199 I1203A283-V287 VanDerWaalsContact O-CG2 3.27Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 2.8Å; F284-V287 PolarHBondContact O-N 3.4Å; V287-S290 PolarHBondContact O-OG 2.95Å; V287-R291 WeakPolarHBondContact O-CB 3.44Å; V287-R291 PolarHBondContact O-N 3.23Å; V287-A385 HydrophobicContact CG1-CB 3.85Å; V287-A385 WeakPolarHBondContact CG1-O 3.44Å; V287-V1199 HydrophobicContact CG1-CG1 3.5Å; V287-I1203 HydrophobicContact CB-CD1 4.43Å; V287-I1203 HydrophobicContact CG1-CD1 4.14Å
288Y82.3Confident82.9Confident31 Ų3115.8 Ų15.812%0.1228%0.082CC..Hα-helixtrans-70.3-46.4178.5-179.7-106.3000112.8W24 F284 S285 V286 R291 S292W24-Y288 HydrophobicContact CB-CE2 4.11Å; W24-Y288 AromaticContact CD2-CD2 3.78Å; W24-Y288 HydrophobicContact CD2-CD2 3.78Å; W24-Y288 AromaticContact CD2-CE2 3.6Å; W24-Y288 HydrophobicContact CD2-CE2 3.6Å; W24-Y288 AromaticContact CE3-CD2 3.23Å; W24-Y288 HydrophobicContact CE3-CD2 3.23Å; W24-Y288 AromaticContact CE3-CE2 3.58Å; W24-Y288 HydrophobicContact CE3-CE2 3.58Å; W24-Y288 HydrophobicContact CE3-CG 4.09Å; W24-Y288 HydrophobicContact CG-CD2 4.42Å; W24-Y288 AromaticContact CG-CE2 3.84Å; W24-Y288 HydrophobicContact CG-CE2 3.84Å; W24-Y288 HydrophobicContact CH2-CD2 4.37Å; W24-Y288 AromaticContact CZ3-CD2 3.6Å; W24-Y288 HydrophobicContact CZ3-CD2 3.6Å; W24-Y288 HydrophobicContact CZ3-CE2 4.26Å; W24-Y288 HydrophobicContact CZ3-CG 4.46Å; F284-Y288 WeakPolarHBondContact O-CB 3.45Å; F284-Y288 PolarHBondContact O-N 3.38Å; S285-Y288 PolarHBondContact O-N 3.47Å; V286-Y288 VanDerWaalsContact C-N 3.32Å; V286-Y288 PolarHBondContact O-N 3.31Å; Y288-R291 PolarHBondContact O-N 2.93Å; Y288-S292 WeakPolarHBondContact O-CB 3.36Å; Y288-S292 PolarHBondContact O-N 3.01Å
289I87.2Confident82Confident0 Ų019.5 Ų19.50%010%0.1CC..Hα-helixtrans-62.5-49-179.2-67.6165.8000110.3S285 R291 S292 I293 N323 L327 I368 C371S285-I289 WeakPolarHBondContact O-CB 3.37Å; S285-I289 WeakPolarHBondContact O-CD1 3.33Å; S285-I289 WeakPolarHBondContact O-CG1 3.3Å; S285-I289 PolarHBondContact O-N 3.06Å; I289-R291 VanDerWaalsContact C-N 3.31Å; I289-R291 PolarHBondContact O-N 3.19Å; I289-S292 PolarHBondContact O-N 3.1Å; I289-S292 VanDerWaalsContact O-N 3.13Å; I289-I293 HydrophobicContact CG2-CD1 3.81Å; I289-I293 WeakPolarHBondContact O-CG1 3.41Å; I289-I293 PolarHBondContact O-N 3.44Å; I289-N323 HydrophobicContact CD1-CB 4.07Å; I289-N323 HydrophobicContact CG1-CB 4.33Å; I289-L327 HydrophobicContact CD1-CD1 4.03Å; I289-L327 HydrophobicContact CD1-CG 4.34Å; I289-I368 HydrophobicContact CD1-CG1 4.38Å; I289-C371 HydrophobicContact CB-CB 4.32Å; I289-C371 HydrophobicContact CG2-CB 3.66Å
290S87.5Confident81.5Confident0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-57.8-44177.856.70000112V286 V287 V294 S375 A388V286-S290 WeakPolarHBondContact O-CB 3.45Å; V286-S290 PolarHBondContact O-N 3.46Å; V286-S290 PolarHBondContact O-OG 2.86Å; V287-S290 PolarHBondContact O-OG 2.95Å; S290-V294 WeakPolarHBondContact O-CG2 3.31Å; S290-V294 PolarHBondContact O-N 3.14Å; S290-V294 VanDerWaalsContact O-N 3.12Å; S290-S375 WeakPolarHBondContact CA-OG 3.47Å; S290-S375 PolarHBondContact O-OG 3.1Å; S290-A388 WeakPolarHBondContact OG-CB 3.41Å
291R81.9Confident81.4Confident49 Ų4925 Ų2519%0.18512%0.121CC..Hα-helixtrans-61.1-46.8173.6177.7-174.5156.2167.16.4112.5V287 Y288 I289 I293 V294 A295 A385 N1196V287-R291 WeakPolarHBondContact O-CB 3.44Å; V287-R291 PolarHBondContact O-N 3.23Å; Y288-R291 PolarHBondContact O-N 2.93Å; I289-R291 VanDerWaalsContact C-N 3.31Å; I289-R291 PolarHBondContact O-N 3.19Å; R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 PolarHBondContact O-N 2.89Å; R291-V294 CarbonylContact O-C 3.57Å; R291-V294 PolarHBondContact O-N 3.29Å; R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.39Å; R291-A295 PolarHBondContact O-N 2.77Å; R291-A385 HydrophobicContact CB-CB 4.22Å; R291-N1196 PolarHBondContact NH1-OD1 3.43Å; R291-N1196 PolarHBondContact NH2-OD1 3.34Å
292S80.6Confident81Confident32 Ų3227.7 Ų27.722%0.22413%0.131CC..Hα-helixtrans-58.4-45.3-177.9-176.20000111.1Y288 I289 V294 A295 D296Y288-S292 WeakPolarHBondContact O-CB 3.36Å; Y288-S292 PolarHBondContact O-N 3.01Å; I289-S292 PolarHBondContact O-N 3.1Å; I289-S292 VanDerWaalsContact O-N 3.13Å; S292-V294 PolarHBondContact O-N 2.86Å; S292-A295 PolarHBondContact O-N 2.86Å; S292-D296 PolarHBondContact O-N 3.35Å
293I84.5Confident80.5Confident9 Ų931.8 Ų31.85%0.04615%0.15CC..Hα-helixtrans-61.6-42.7177-65.2163.9000111.2I289 R291 C371 F372I289-I293 HydrophobicContact CG2-CD1 3.81Å; I289-I293 WeakPolarHBondContact O-CG1 3.41Å; I289-I293 PolarHBondContact O-N 3.44Å; R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 PolarHBondContact O-N 2.89Å; I293-C371 HydrophobicContact CD1-CB 4.34Å; I293-F372 HydrophobicContact CD1-CD1 3.73Å; I293-F372 HydrophobicContact CD1-CD2 4.45Å; I293-F372 HydrophobicContact CD1-CE1 3.71Å; I293-F372 HydrophobicContact CD1-CE2 4.43Å; I293-F372 HydrophobicContact CD1-CG 4.11Å; I293-F372 HydrophobicContact CD1-CZ 4.08Å; I293-F372 HydrophobicContact CG1-CD1 4.45Å; I293-F372 HydrophobicContact CG1-CE1 4.11Å; I293-F372 HydrophobicContact CG2-CD1 4.27Å; I293-F372 HydrophobicContact CG2-CE1 4.37Å
294V82.4Confident80.7Confident0 Ų031.5 Ų31.50%015%0.147CC..Hα-helixtrans-78.8-27.7180-177.30000112.4S290 R291 S292 D296 K297 E298 G381 V384S290-V294 WeakPolarHBondContact O-CG2 3.31Å; S290-V294 PolarHBondContact O-N 3.14Å; S290-V294 VanDerWaalsContact O-N 3.12Å; R291-V294 CarbonylContact O-C 3.57Å; R291-V294 PolarHBondContact O-N 3.29Å; S292-V294 PolarHBondContact O-N 2.86Å; V294-D296 VanDerWaalsContact C-N 3.33Å; V294-D296 PolarHBondContact O-N 3.02Å; V294-K297 CarbonylContact O-C 3.48Å; V294-K297 WeakPolarHBondContact O-CA 3.43Å; V294-K297 WeakPolarHBondContact O-CB 3.2Å; V294-K297 PolarHBondContact O-N 2.98Å; V294-E298 WeakPolarHBondContact O-CB 3.37Å; V294-E298 PolarHBondContact O-N 2.99Å; V294-G381 VanDerWaalsContact CG1-N 3.33Å; V294-V384 HydrophobicContact CB-CG1 3.95Å; V294-V384 HydrophobicContact CG2-CB 4.11Å; V294-V384 HydrophobicContact CG2-CG1 3.74Å; V294-V384 HydrophobicContact CG2-CG2 4.17Å
295A77.1Confident80.9Confident30 Ų3030.9 Ų30.925%0.24814%0.144CC..Hα-helixtrans-63-40.5176.200000111.3R291 S292 K297 E298 M299R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.39Å; R291-A295 PolarHBondContact O-N 2.77Å; S292-A295 PolarHBondContact O-N 2.86Å; A295-K297 PolarHBondContact O-N 3.2Å; A295-E298 PolarHBondContact O-N 3.24Å; A295-M299 WeakPolarHBondContact O-CB 3.44Å; A295-M299 WeakPolarHBondContact O-CG 3.49Å; A295-M299 PolarHBondContact O-N 2.93Å
296D78.9Confident80.6Confident18 Ų1836.2 Ų36.210%0.09617%0.165CC..Hα-helixtrans-61.5-31.4172.3-81-6.5000112.2S292 V294 R300 L301 R302 H315 H319S292-D296 PolarHBondContact O-N 3.35Å; V294-D296 VanDerWaalsContact C-N 3.33Å; V294-D296 PolarHBondContact O-N 3.02Å; D296-R300 PolarHBondContact O-N 3.49Å; D296-L301 PolarHBondContact O-N 2.95Å; D296-R302 PolarHBondContact O-N 2.82Å; D296-H315 IonicContact OD2-CE1 3.6Å; D296-H315 IonicContact OD2-NE2 2.97Å; D296-H315 PolarHBondContact OD2-NE2 2.99Å; D296-H319 IonicContact OD2-CD2 3Å; D296-H319 IonicContact OD2-CE1 3.15Å; D296-H319 PolarHBondContact OD2-CE1 3.37Å; D296-H319 IonicContact OD2-NE2 3.76Å; D296-H319 PolarHBondContact OD2-NE2 2.76Å
297K76.1Confident80.2Confident39 Ų3936.2 Ų36.217%0.1716%0.164CC..Hα-helixtrans-76.3-44.4174.3-62.6177.8-177.9-176.90112V294 A295 M299 R300 S375 E481V294-K297 CarbonylContact O-C 3.48Å; V294-K297 WeakPolarHBondContact O-CA 3.43Å; V294-K297 WeakPolarHBondContact O-CB 3.2Å; V294-K297 PolarHBondContact O-N 2.98Å; A295-K297 PolarHBondContact O-N 3.2Å; K297-M299 VanDerWaalsContact C-N 3.34Å; K297-M299 PolarHBondContact O-N 3.04Å; K297-R300 WeakPolarHBondContact O-CA 3.49Å; K297-R300 PolarHBondContact O-N 2.9Å; K297-S375 PolarHBondContact NZ-O 3.02Å; K297-E481 WeakPolarHBondContact CE-OE1 3.47Å; K297-E481 IonicContact NZ-OE1 2.84Å; K297-E481 PolarHBondContact NZ-OE1 2.99Å
298E68.2Low80.1Confident80 Ų8035.8 Ų35.837%0.37416%0.162SC..Hα-helixtrans-62-42.8-178.5-176.8165.7-155.400111.1V294 A295 R300 S380 G381V294-E298 WeakPolarHBondContact O-CB 3.37Å; V294-E298 PolarHBondContact O-N 2.99Å; A295-E298 PolarHBondContact O-N 3.24Å; E298-R300 PolarHBondContact O-N 2.85Å; E298-S380 PolarHBondContact OE1-OG 2.95Å; E298-G381 PolarHBondContact OE2-N 3.49Å
299M71.4Confident79.9Confident81 Ų8135.1 Ų35.140%0.39917%0.165SC..THydrogen-bonded Turntrans-78.7-0.3175.5-60-66.7-83.800113.1A295 K297 L301A295-M299 WeakPolarHBondContact O-CB 3.44Å; A295-M299 WeakPolarHBondContact O-CG 3.49Å; A295-M299 PolarHBondContact O-N 2.93Å; K297-M299 VanDerWaalsContact C-N 3.34Å; K297-M299 PolarHBondContact O-N 3.04Å; M299-L301 HydrophobicContact CB-CD1 3.86Å; M299-L301 HydrophobicContact CB-CG 3.76Å; M299-L301 PolarHBondContact O-N 2.96Å; M299-L301 VanDerWaalsContact O-N 3.1Å
300R77.1Confident79.6Confident114 Ų11435.7 Ų35.743%0.4317%0.168SC..THydrogen-bonded Turntrans52.228.7-176.1-57.2-177-170.5-175.34113.7D296 K297 E298 R302 E303 F304 Y624D296-R300 PolarHBondContact O-N 3.49Å; K297-R300 WeakPolarHBondContact O-CA 3.49Å; K297-R300 PolarHBondContact O-N 2.9Å; E298-R300 PolarHBondContact O-N 2.85Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-E303 HydrophobicContact CB-CB 4.42Å; R300-E303 WeakPolarHBondContact CD-OE2 3.38Å; R300-E303 PolarHBondContact O-N 3.15Å; R300-F304 PolarHBondContact O-N 3.41Å; R300-Y624 HydrophobicContact CB-CE2 4.03Å; R300-Y624 VanDerWaalsContact CB-OH 3.24Å; R300-Y624 WeakPolarHBondContact CB-OH 3.19Å
301L79.9Confident79.2Confident7 Ų738.4 Ų38.44%0.03718%0.184CC..Hα-helixtrans-68.7-35.4179.9-68.3168.9000110.7D296 M299 E303 F304 M305 P626 F628D296-L301 PolarHBondContact O-N 2.95Å; M299-L301 HydrophobicContact CB-CD1 3.86Å; M299-L301 HydrophobicContact CB-CG 3.76Å; M299-L301 PolarHBondContact O-N 2.96Å; M299-L301 VanDerWaalsContact O-N 3.1Å; L301-E303 PolarHBondContact O-N 3.48Å; L301-F304 PolarHBondContact O-N 3.3Å; L301-M305 HydrophobicContact CB-CE 4.49Å; L301-M305 WeakPolarHBondContact O-CB 3.24Å; L301-M305 WeakPolarHBondContact O-CE 3.4Å; L301-M305 WeakPolarHBondContact O-CG 3.21Å; L301-M305 PolarHBondContact O-N 3.37Å; L301-P626 VanDerWaalsContact CD2-C 3.42Å; L301-P626 HydrophobicContact CD2-CB 3.97Å; L301-P626 WeakPolarHBondContact CD2-O 3.01Å; L301-F628 HydrophobicContact CB-CE1 4.36Å; L301-F628 HydrophobicContact CD1-CD1 3.76Å; L301-F628 HydrophobicContact CD1-CE1 3.73Å; L301-F628 HydrophobicContact CG-CE1 4.43Å
302R77.8Confident79Confident57 Ų5738.7 Ų38.722%0.21519%0.192CC..Hα-helixtrans-60.3-44.6174.5-179.7177171-179.7-6.8112.2D296 R300 R306 E481D296-R302 PolarHBondContact O-N 2.82Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R302-R306 WeakPolarHBondContact O-CB 3.39Å; R302-R306 PolarHBondContact O-N 2.97Å; R302-E481 IonicContact CZ-OE2 3.79Å; R302-E481 VanDerWaalsContact CZ-OE2 3.25Å; R302-E481 IonicContact NH1-OE1 3.67Å; R302-E481 PolarHBondContact NH1-OE1 3.26Å; R302-E481 IonicContact NH1-OE2 3.59Å; R302-E481 PolarHBondContact NH1-OE2 3.03Å; R302-E481 IonicContact NH2-OE2 2.75Å; R302-E481 PolarHBondContact NH2-OE2 3.17Å
303E76.8Confident79.1Confident87 Ų8744.1 Ų44.141%0.40721%0.211SC..Hα-helixtrans-64.1-45.6176.7-73173.2-173.200110.7R300 L301 R306 V307 L592R300-E303 HydrophobicContact CB-CB 4.42Å; R300-E303 WeakPolarHBondContact CD-OE2 3.38Å; R300-E303 PolarHBondContact O-N 3.15Å; L301-E303 PolarHBondContact O-N 3.48Å; E303-R306 WeakPolarHBondContact O-CB 3.19Å; E303-R306 PolarHBondContact O-N 3.1Å; E303-V307 WeakPolarHBondContact O-CG2 3.48Å; E303-V307 PolarHBondContact O-N 3.36Å; E303-L592 HydrophobicContact CB-CD2 3.68Å; E303-L592 HydrophobicContact CG-CD2 4.17Å
304F85.8Confident79.2Confident2 Ų244 Ų441%0.00921%0.211CC..Hα-helixtrans-61.4-45.7177.4-173.4-116.5000113R300 L301 R306 V307 M308 Y620 P622 P626 Y640 I685R300-F304 PolarHBondContact O-N 3.41Å; L301-F304 PolarHBondContact O-N 3.3Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.16Å; F304-V307 PolarHBondContact O-N 2.8Å; F304-M308 HydrophobicContact CE1-CE 4.43Å; F304-M308 HydrophobicContact CE2-CE 3.81Å; F304-M308 HydrophobicContact CZ-CE 3.63Å; F304-M308 WeakPolarHBondContact O-CG 3.44Å; F304-M308 PolarHBondContact O-N 3.09Å; F304-Y620 HydrophobicContact CD2-CD1 4.05Å; F304-Y620 HydrophobicContact CE2-CD1 4.09Å; F304-Y620 VanDerWaalsContact CE2-O 3.24Å; F304-Y620 WeakPolarHBondContact CE2-O 3.1Å; F304-P622 HydrophobicContact CD2-CG 4.26Å; F304-P622 HydrophobicContact CE2-CG 4.3Å; F304-P626 HydrophobicContact CB-CB 3.99Å; F304-P626 HydrophobicContact CB-CG 4.44Å; F304-P626 HydrophobicContact CD1-CB 3.67Å; F304-P626 HydrophobicContact CD1-CG 3.65Å; F304-P626 HydrophobicContact CD2-CB 4.15Å; F304-P626 HydrophobicContact CD2-CG 3.67Å; F304-P626 HydrophobicContact CE1-CB 4.16Å; F304-P626 HydrophobicContact CE1-CG 3.66Å; F304-P626 HydrophobicContact CE2-CG 3.69Å; F304-P626 HydrophobicContact CG-CB 3.67Å; F304-P626 HydrophobicContact CG-CG 3.65Å; F304-P626 HydrophobicContact CZ-CG 3.69Å; F304-Y640 AromaticContact CD1-CE1 3.81Å; F304-Y640 HydrophobicContact CD1-CE1 3.81Å; F304-Y640 AromaticContact CD1-CZ 3.73Å; F304-Y640 WeakPolarHBondContact CD1-OH 3.39Å; F304-Y640 HydrophobicContact CE1-CD1 4.37Å; F304-Y640 AromaticContact CE1-CE1 3.55Å; F304-Y640 HydrophobicContact CE1-CE1 3.55Å; F304-Y640 HydrophobicContact CE1-CE2 4.15Å; F304-Y640 AromaticContact CE1-CZ 3.43Å; F304-Y640 VanDerWaalsContact CE1-CZ 3.43Å; F304-Y640 WeakPolarHBondContact CE1-OH 3.39Å; F304-I685 HydrophobicContact CE1-CG2 4.15Å; F304-I685 HydrophobicContact CZ-CG2 4Å
305M85.1Confident79.3Confident0 Ų044.6 Ų44.60%021%0.214CC..Hα-helixtrans-64.2-32.8175-71.2-175.5-71.700112.5L10 L301 M308 G309 L310 H315 F628 F639 Y640 L643L10-M305 HydrophobicContact CD2-SD 4.17Å; L301-M305 HydrophobicContact CB-CE 4.49Å; L301-M305 WeakPolarHBondContact O-CB 3.24Å; L301-M305 WeakPolarHBondContact O-CE 3.4Å; L301-M305 WeakPolarHBondContact O-CG 3.21Å; L301-M305 PolarHBondContact O-N 3.37Å; M305-M308 CarbonylContact O-C 3.51Å; M305-M308 PolarHBondContact O-N 2.66Å; M305-G309 PolarHBondContact O-N 2.99Å; M305-L310 HydrophobicContact CB-CB 3.96Å; M305-L310 HydrophobicContact CB-CD2 3.66Å; M305-L310 HydrophobicContact CB-CG 4.47Å; M305-L310 HydrophobicContact CE-CD2 4.16Å; M305-L310 HydrophobicContact CG-CD2 4.36Å; M305-L310 WeakPolarHBondContact O-CB 3.44Å; M305-L310 PolarHBondContact O-N 3.31Å; M305-L310 HydrophobicContact SD-CD2 3.87Å; M305-H315 VanDerWaalsContact CE-CD2 3.48Å; M305-H315 WeakPolarHBondContact CE-CD2 3.34Å; M305-H315 WeakPolarHBondContact CE-NE2 3.21Å; M305-F628 HydrophobicContact CE-CZ 4.27Å; M305-F628 HydrophobicContact SD-CZ 3.86Å; M305-F639 HydrophobicContact CG-CE1 4.35Å; M305-F639 HydrophobicContact SD-CE1 4.06Å; M305-F639 HydrophobicContact SD-CZ 3.85Å; M305-Y640 HydrophobicContact CG-CE1 4.41Å; M305-L643 HydrophobicContact CB-CD2 4.17Å; M305-L643 HydrophobicContact CG-CD2 4.2Å
306R80.3Confident79.8Confident114 Ų11445 Ų4543%0.4322%0.217SC..Hα-helixtrans-66.6-40.5175.9-175.1-178.2-179.7175.6-0.1111.7R302 E303 F304 M308 G309R302-R306 WeakPolarHBondContact O-CB 3.39Å; R302-R306 PolarHBondContact O-N 2.97Å; E303-R306 WeakPolarHBondContact O-CB 3.19Å; E303-R306 PolarHBondContact O-N 3.1Å; F304-R306 VanDerWaalsContact C-N 3.28Å; F304-R306 PolarHBondContact O-N 3.16Å; R306-M308 PolarHBondContact O-N 3.06Å; R306-G309 PolarHBondContact O-N 3.24Å
307V79.9Confident80.3Confident1 Ų146.6 Ų46.61%0.00623%0.225CC..Hα-helixtrans-59.3-34.4173.3174.70000110.9E303 F304 G309 T589 L592 S615 Y620E303-V307 WeakPolarHBondContact O-CG2 3.48Å; E303-V307 PolarHBondContact O-N 3.36Å; F304-V307 PolarHBondContact O-N 2.8Å; V307-G309 VanDerWaalsContact C-N 3.3Å; V307-G309 PolarHBondContact O-N 3.33Å; V307-T589 HydrophobicContact CG1-CG2 3.87Å; V307-T589 HydrophobicContact CG2-CG2 4.44Å; V307-L592 HydrophobicContact CG2-CD1 4.14Å; V307-L592 HydrophobicContact CG2-CD2 3.99Å; V307-L592 HydrophobicContact CG2-CG 3.82Å; V307-S615 WeakPolarHBondContact O-CB 3.12Å; V307-Y620 HydrophobicContact CG1-CD1 4.06Å; V307-Y620 HydrophobicContact CG1-CG 4.27Å
308M82Confident81Confident0 Ų044.7 Ų44.70%022%0.217CC..THydrogen-bonded Turntrans-85.49177.5-59-67.6-174.100114.2F304 M305 R306 Y620 Y640 L643 K644 I685F304-M308 HydrophobicContact CE1-CE 4.43Å; F304-M308 HydrophobicContact CE2-CE 3.81Å; F304-M308 HydrophobicContact CZ-CE 3.63Å; F304-M308 WeakPolarHBondContact O-CG 3.44Å; F304-M308 PolarHBondContact O-N 3.09Å; M305-M308 CarbonylContact O-C 3.51Å; M305-M308 PolarHBondContact O-N 2.66Å; R306-M308 PolarHBondContact O-N 3.06Å; M308-Y620 WeakPolarHBondContact CE-O 3.02Å; M308-Y640 HydrophobicContact CG-CD1 4.23Å; M308-Y640 HydrophobicContact CG-CE1 4.46Å; M308-L643 HydrophobicContact CB-CD2 3.82Å; M308-L643 HydrophobicContact CB-CG 4.41Å; M308-K644 WeakPolarHBondContact SD-CE 3.32Å; M308-I685 HydrophobicContact CE-CG2 4.31Å
309G76.7Confident82Confident18 Ų1841.2 Ų41.219%0.18620%0.201CC..THydrogen-bonded Turntrans100.112.5172.600000117.1Q6 M305 R306 V307Q6-G309 PolarHBondContact NE2-O 3.26Å; M305-G309 PolarHBondContact O-N 2.99Å; R306-G309 PolarHBondContact O-N 3.24Å; V307-G309 VanDerWaalsContact C-N 3.3Å; V307-G309 PolarHBondContact O-N 3.33Å
310L81.3Confident83Confident11 Ų1139.7 Ų39.76%0.05819%0.192CC..  trans-75.4133.9176.7-172.264.7000112.9Q6 L10 M305 H315 L643Q6-L310 HydrophobicContact CB-CD1 4.41Å; L10-L310 HydrophobicContact CD1-CD1 3.61Å; L10-L310 HydrophobicContact CD1-CD2 4.17Å; L10-L310 HydrophobicContact CD1-CG 4.46Å; L10-L310 HydrophobicContact CD2-CD1 4.36Å; L10-L310 HydrophobicContact CD2-CD2 4.07Å; L10-L310 HydrophobicContact CG-CD1 4.15Å; M305-L310 HydrophobicContact CB-CB 3.96Å; M305-L310 HydrophobicContact CB-CD2 3.66Å; M305-L310 HydrophobicContact CB-CG 4.47Å; M305-L310 HydrophobicContact CE-CD2 4.16Å; M305-L310 HydrophobicContact CG-CD2 4.36Å; M305-L310 WeakPolarHBondContact O-CB 3.44Å; M305-L310 PolarHBondContact O-N 3.31Å; M305-L310 HydrophobicContact SD-CD2 3.87Å; L310-H315 HydrophobicContact CD2-CB 3.98Å; L310-L643 HydrophobicContact CB-CD1 4.12Å; L310-L643 HydrophobicContact CD1-CD1 3.9Å
311T80.2Confident83.7Confident58 Ų5837 Ų3736%0.35619%0.186SC..  trans-78.9139.6170.267.50000111.5F313 N314 H315T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 2.54Å; T311-N314 PolarHBondContact O-N 3.09Å; T311-N314 VanDerWaalsContact OG1-CB 3.32Å; T311-N314 WeakPolarHBondContact OG1-CB 3.4Å; T311-N314 PolarHBondContact OG1-ND2 3.31Å; T311-H315 PolarHBondContact O-N 3.4Å
312T76.5Confident84.2Confident55 Ų5537.7 Ų37.734%0.33719%0.19SC..Hα-helixtrans-62.4-37.5-177.8-68.40000112.7H315 A316T312-H315 PolarHBondContact O-N 3.45Å; T312-A316 PolarHBondContact O-N 3.25Å
313F83.2Confident84.8Confident145 Ų14535.2 Ų35.264%0.63618%0.181SC*.Hα-helixtrans-62.4-46.7178.6177.9-102000112.3T311 H315 A316 L317T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 PolarHBondContact O-N 2.54Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.49Å; F313-A316 PolarHBondContact O-N 3.17Å; F313-L317 HydrophobicContact CE1-CD2 3.86Å; F313-L317 HydrophobicContact CZ-CD2 4.25Å; F313-L317 WeakPolarHBondContact O-CB 3.32Å; F313-L317 PolarHBondContact O-N 3Å
314N85.9Confident85.6Confident7 Ų732.4 Ų32.44%0.03717%0.168CC..Hα-helixtrans-61.7-35.5179.6-75.9-11.6000112.3T3 Q6 L10 T311 A318T3-N314 PolarHBondContact O-ND2 2.94Å; Q6-N314 PolarHBondContact OE1-ND2 2.72Å; L10-N314 HydrophobicContact CD1-CB 4.16Å; L10-N314 WeakPolarHBondContact CD1-O 3.32Å; T311-N314 PolarHBondContact O-N 3.09Å; T311-N314 VanDerWaalsContact OG1-CB 3.32Å; T311-N314 WeakPolarHBondContact OG1-CB 3.4Å; T311-N314 PolarHBondContact OG1-ND2 3.31Å; N314-A318 VanDerWaalsContact O-CB 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.32Å; N314-A318 PolarHBondContact O-N 2.84Å
315H85.7Confident85.8Confident13 Ų1336.6 Ų36.66%0.0619%0.193CC..Hα-helixtrans-62.4-48.3175-173.4-93.6000112.2D296 M305 L310 T311 T312 F313 H319D296-H315 IonicContact OD2-CE1 3.6Å; D296-H315 IonicContact OD2-NE2 2.97Å; D296-H315 PolarHBondContact OD2-NE2 2.99Å; M305-H315 VanDerWaalsContact CE-CD2 3.48Å; M305-H315 WeakPolarHBondContact CE-CD2 3.34Å; M305-H315 WeakPolarHBondContact CE-NE2 3.21Å; L310-H315 HydrophobicContact CD2-CB 3.98Å; T311-H315 PolarHBondContact O-N 3.4Å; T312-H315 PolarHBondContact O-N 3.45Å; F313-H315 VanDerWaalsContact C-N 3.26Å; F313-H315 PolarHBondContact O-N 3.49Å; H315-H319 AromaticContact CE1-CD2 3.39Å; H315-H319 PolarHBondContact CE1-CD2 3.16Å; H315-H319 AromaticContact CE1-NE2 3.52Å; H315-H319 AromaticContact ND1-CD2 3.85Å; H315-H319 AromaticContact NE2-CD2 3.76Å; H315-H319 AromaticContact NE2-NE2 3.67Å; H315-H319 PolarHBondContact O-CD2 2.92Å; H315-H319 PolarHBondContact O-N 3.33Å
316A86.1Confident86Confident39 Ų3937.2 Ų37.232%0.32220%0.196SC..Hα-helixtrans-64.5-45.2178.100000111.3T312 F313 A318 H319 F320 F372T312-A316 PolarHBondContact O-N 3.25Å; F313-A316 PolarHBondContact O-N 3.17Å; A316-A318 PolarHBondContact O-N 3.2Å; A316-H319 PolarHBondContact O-N 3.2Å; A316-F320 PolarHBondContact O-N 3.23Å; A316-F372 HydrophobicContact CB-CE1 4.49Å; A316-F372 WeakPolarHBondContact O-CZ 3.33Å
317L90.2Very high86.5Confident50 Ų5031.8 Ų31.826%0.26218%0.176SC..Hα-helixtrans-62.1-41178.5-176.661.2000112.3L7 F313 H319 F320 L321L7-L317 HydrophobicContact CD1-CB 4.14Å; L7-L317 HydrophobicContact CD1-CD2 4Å; L7-L317 HydrophobicContact CD1-CG 3.93Å; L7-L317 HydrophobicContact CD2-CD2 3.79Å; L7-L317 HydrophobicContact CD2-CG 4.41Å; F313-L317 HydrophobicContact CE1-CD2 3.86Å; F313-L317 HydrophobicContact CZ-CD2 4.25Å; F313-L317 WeakPolarHBondContact O-CB 3.32Å; F313-L317 PolarHBondContact O-N 3Å; L317-H319 VanDerWaalsContact C-N 3.35Å; L317-H319 PolarHBondContact O-N 3.22Å; L317-F320 PolarHBondContact O-N 3.45Å; L317-L321 HydrophobicContact CD1-CD1 4.15Å; L317-L321 HydrophobicContact CD1-CG 4.07Å; L317-L321 HydrophobicContact CG-CD1 3.96Å; L317-L321 HydrophobicContact CG-CG 4.32Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 3.39Å
318A90.3Very high87.1Confident0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-63.7-39.3176.600000112.7L7 L10 I11 N14 N314 A316 I322L7-A318 HydrophobicContact CD1-CB 3.97Å; L10-A318 HydrophobicContact CB-CB 3.49Å; L10-A318 VanDerWaalsContact CB-CB 3.49Å; L10-A318 HydrophobicContact CD1-CB 3.99Å; L10-A318 HydrophobicContact CG-CB 4.4Å; I11-A318 HydrophobicContact CG1-CB 4.36Å; N14-A318 PolarHBondContact ND2-O 3.46Å; N314-A318 VanDerWaalsContact O-CB 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.32Å; N314-A318 PolarHBondContact O-N 2.84Å; A316-A318 PolarHBondContact O-N 3.2Å; A318-I322 WeakPolarHBondContact O-CG2 3.4Å; A318-I322 PolarHBondContact O-N 3.25Å
319H89.6Confident87.5Confident6 Ų637 Ų373%0.02820%0.204CC..Hα-helixtrans-67.9-40.4173.3-90.7-74.7000111.6D296 H315 A316 L317 N323 F372D296-H319 IonicContact OD2-CD2 3Å; D296-H319 IonicContact OD2-CE1 3.15Å; D296-H319 PolarHBondContact OD2-CE1 3.37Å; D296-H319 IonicContact OD2-NE2 3.76Å; D296-H319 PolarHBondContact OD2-NE2 2.76Å; H315-H319 AromaticContact CE1-CD2 3.39Å; H315-H319 PolarHBondContact CE1-CD2 3.16Å; H315-H319 AromaticContact CE1-NE2 3.52Å; H315-H319 AromaticContact ND1-CD2 3.85Å; H315-H319 AromaticContact NE2-CD2 3.76Å; H315-H319 AromaticContact NE2-NE2 3.67Å; H315-H319 PolarHBondContact O-CD2 2.92Å; H315-H319 PolarHBondContact O-N 3.33Å; A316-H319 PolarHBondContact O-N 3.2Å; L317-H319 VanDerWaalsContact C-N 3.35Å; L317-H319 PolarHBondContact O-N 3.22Å; H319-N323 WeakPolarHBondContact O-CB 3.47Å; H319-N323 PolarHBondContact O-N 3.21Å; H319-N323 PolarHBondContact O-ND2 2.82Å; H319-F372 HydrophobicContact CB-CE1 4.27Å; H319-F372 HydrophobicContact CB-CZ 3.79Å
320F92.9Very high88Confident49 Ų4936.3 Ų36.322%0.21520%0.196CC..Hα-helixtrans-61.5-53.2176-179.5-95.1000111.2A316 L317 I322 N323 L324 A365 I368 F372A316-F320 PolarHBondContact O-N 3.23Å; L317-F320 PolarHBondContact O-N 3.45Å; F320-I322 PolarHBondContact O-N 2.83Å; F320-N323 PolarHBondContact O-N 3.09Å; F320-L324 HydrophobicContact CE1-CD2 3.88Å; F320-L324 HydrophobicContact CZ-CD2 4.4Å; F320-L324 VanDerWaalsContact O-CB 3.28Å; F320-L324 WeakPolarHBondContact O-CB 3.34Å; F320-L324 PolarHBondContact O-N 3.35Å; F320-A365 HydrophobicContact CZ-CB 4.43Å; F320-I368 HydrophobicContact CD2-CB 4.22Å; F320-I368 HydrophobicContact CD2-CG2 3.55Å; F320-I368 HydrophobicContact CE2-CB 4.23Å; F320-I368 HydrophobicContact CE2-CG2 4.07Å; F320-I368 HydrophobicContact CG-CG2 4.41Å; F320-F372 HydrophobicContact CB-CE2 3.98Å; F320-F372 HydrophobicContact CB-CZ 4.34Å; F320-F372 HydrophobicContact CD2-CE2 4.2Å
321L92Very high88.5Confident59 Ų5935.8 Ų35.831%0.30919%0.193SC..Hα-helixtrans-61.7-44.6-176-71.1172.9000112.9L7 I11 L317 L324 V325L7-L321 HydrophobicContact CD1-CD1 4.35Å; L7-L321 HydrophobicContact CD2-CD1 4.25Å; I11-L321 HydrophobicContact CD1-CD1 4.11Å; L317-L321 HydrophobicContact CD1-CD1 4.15Å; L317-L321 HydrophobicContact CD1-CG 4.07Å; L317-L321 HydrophobicContact CG-CD1 3.96Å; L317-L321 HydrophobicContact CG-CG 4.32Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 3.4Å; L317-L321 PolarHBondContact O-N 3.39Å; L321-L324 PolarHBondContact O-N 3.45Å; L321-V325 WeakPolarHBondContact O-CG2 3.3Å; L321-V325 PolarHBondContact O-N 3.14Å
322I90.1Very high89.1Confident21 Ų2135 Ų3511%0.10819%0.192CC..Hα-helixtrans-67.4-39.7-179.5-160.3167.4000111.7N14 Y15 A318 F320 L324 V325 K326N14-I322 HydrophobicContact CB-CB 4.47Å; N14-I322 HydrophobicContact CB-CD1 3.43Å; N14-I322 VanDerWaalsContact CB-CD1 3.43Å; N14-I322 HydrophobicContact CB-CG2 4.14Å; Y15-I322 VanDerWaalsContact N-CD1 3.33Å; A318-I322 WeakPolarHBondContact O-CG2 3.4Å; A318-I322 PolarHBondContact O-N 3.25Å; F320-I322 PolarHBondContact O-N 2.83Å; I322-L324 VanDerWaalsContact C-N 3.32Å; I322-V325 PolarHBondContact O-N 3.44Å; I322-K326 WeakPolarHBondContact O-CG 3.5Å; I322-K326 PolarHBondContact O-N 3.02Å; I322-K326 VanDerWaalsContact O-N 3.15Å
323N90.9Very high89.6Confident5 Ų534.3 Ų34.33%0.02719%0.186CC..Hα-helixtrans-71-31.9177.1-68.1-49.6000111.5I289 H319 F320 K326 L327 I368I289-N323 HydrophobicContact CD1-CB 4.07Å; I289-N323 HydrophobicContact CG1-CB 4.33Å; H319-N323 WeakPolarHBondContact O-CB 3.47Å; H319-N323 PolarHBondContact O-N 3.21Å; H319-N323 PolarHBondContact O-ND2 2.82Å; F320-N323 PolarHBondContact O-N 3.09Å; N323-K326 PolarHBondContact O-N 2.95Å; N323-K326 WeakPolarHBondContact OD1-CE 3.11Å; N323-K326 PolarHBondContact OD1-NZ 2.89Å; N323-L327 PolarHBondContact O-N 3.23Å; N323-I368 HydrophobicContact CB-CD1 3.99Å; N323-I368 HydrophobicContact CB-CG1 4.16Å; N323-I368 HydrophobicContact CB-CG2 4.43Å
324L93.3Very high89.9Confident28 Ų2827.4 Ų27.415%0.14716%0.156CC..Hα-helixtrans-63.7-47.3173.5-174.868.7000110.4F320 L321 I322 K326 L327 T328 F361 A365 I368F320-L324 HydrophobicContact CE1-CD2 3.88Å; F320-L324 HydrophobicContact CZ-CD2 4.4Å; F320-L324 VanDerWaalsContact O-CB 3.28Å; F320-L324 WeakPolarHBondContact O-CB 3.34Å; F320-L324 PolarHBondContact O-N 3.35Å; L321-L324 PolarHBondContact O-N 3.45Å; I322-L324 VanDerWaalsContact C-N 3.32Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 3.14Å; L324-L327 PolarHBondContact O-N 3.44Å; L324-T328 WeakPolarHBondContact O-CB 3.42Å; L324-T328 PolarHBondContact O-N 2.68Å; L324-T328 PolarHBondContact O-OG1 3.5Å; L324-F361 HydrophobicContact CD1-CE2 3.85Å; L324-F361 HydrophobicContact CD1-CZ 4.24Å; L324-F361 HydrophobicContact CD2-CE2 4.41Å; L324-F361 HydrophobicContact CD2-CZ 4.39Å; L324-F361 HydrophobicContact CG-CE2 4.18Å; L324-A365 HydrophobicContact CD1-CB 3.98Å; L324-I368 VanDerWaalsContact CA-CD1 3.48Å; L324-I368 HydrophobicContact CB-CD1 3.98Å; L324-I368 HydrophobicContact CD1-CD1 4.2Å; L324-I368 VanDerWaalsContact N-CD1 3.33Å
325V90.7Very high90.2Very high89 Ų8927.4 Ų27.454%0.53916%0.156SC..Hα-helixtrans-57-45.9175.5171.40000111L321 I322 T328 I329L321-V325 WeakPolarHBondContact O-CG2 3.3Å; L321-V325 PolarHBondContact O-N 3.14Å; I322-V325 PolarHBondContact O-N 3.44Å; V325-T328 PolarHBondContact O-N 2.56Å; V325-I329 HydrophobicContact CG1-CD1 4.17Å; V325-I329 WeakPolarHBondContact O-CG1 3.37Å; V325-I329 PolarHBondContact O-N 3.08Å
326K87.7Confident90.3Very high13 Ų1332 Ų326%0.05718%0.181CC..Hα-helixtrans-60.9-53178.6-70-173-59.81520112.6E28 I322 N323 L324 T328 I329 V330E28-K326 VanDerWaalsContact CD-NZ 3.33Å; E28-K326 IonicContact OE1-NZ 2.85Å; E28-K326 PolarHBondContact OE1-NZ 2.69Å; E28-K326 IonicContact OE2-NZ 2.67Å; E28-K326 PolarHBondContact OE2-NZ 3.21Å; I322-K326 WeakPolarHBondContact O-CG 3.5Å; I322-K326 PolarHBondContact O-N 3.02Å; I322-K326 VanDerWaalsContact O-N 3.15Å; N323-K326 PolarHBondContact O-N 2.95Å; N323-K326 WeakPolarHBondContact OD1-CE 3.11Å; N323-K326 PolarHBondContact OD1-NZ 2.89Å; L324-K326 VanDerWaalsContact C-N 3.31Å; L324-K326 PolarHBondContact O-N 3.14Å; K326-T328 VanDerWaalsContact C-N 3.25Å; K326-T328 PolarHBondContact O-N 3.22Å; K326-I329 WeakPolarHBondContact O-CB 3.43Å; K326-I329 PolarHBondContact O-N 2.96Å; K326-V330 PolarHBondContact O-N 3.32Å
327L91Very high90.3Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-69.8-27.1-178.7-65.6-176.4000111.9Y282 I289 N323 L324 V330 S331 I368Y282-L327 HydrophobicContact CD1-CD2 4.34Å; Y282-L327 HydrophobicContact CE1-CD2 4.29Å; I289-L327 HydrophobicContact CD1-CD1 4.03Å; I289-L327 HydrophobicContact CD1-CG 4.34Å; N323-L327 PolarHBondContact O-N 3.23Å; L324-L327 PolarHBondContact O-N 3.44Å; L327-V330 CarbonylContact O-C 3.33Å; L327-V330 WeakPolarHBondContact O-CB 3.34Å; L327-V330 PolarHBondContact O-N 3.21Å; L327-S331 WeakPolarHBondContact O-CB 3.34Å; L327-S331 PolarHBondContact O-N 2.79Å; L327-S331 PolarHBondContact O-OG 3.41Å; L327-I368 HydrophobicContact CD1-CD1 3.94Å; L327-I368 HydrophobicContact CD1-CG1 3.67Å
328T92.1Very high90.3Very high31 Ų3130 Ų3019%0.1916%0.163CC..Hα-helixtrans-64.4-41171.9-57.50000111L324 V325 K326 V330 S331 A332 F357 F361L324-T328 WeakPolarHBondContact O-CB 3.42Å; L324-T328 PolarHBondContact O-N 2.68Å; L324-T328 PolarHBondContact O-OG1 3.5Å; V325-T328 PolarHBondContact O-N 2.56Å; K326-T328 VanDerWaalsContact C-N 3.25Å; K326-T328 PolarHBondContact O-N 3.22Å; T328-V330 VanDerWaalsContact C-N 3.33Å; T328-S331 PolarHBondContact O-N 2.87Å; T328-A332 VanDerWaalsContact O-CB 3.29Å; T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.05Å; T328-F357 HydrophobicContact CG2-CE2 3.99Å; T328-F357 HydrophobicContact CG2-CZ 3.63Å; T328-F361 HydrophobicContact CG2-CD2 3.97Å; T328-F361 HydrophobicContact CG2-CE2 4.27Å; T328-F361 WeakPolarHBondContact OG1-CD2 3.09Å; T328-F361 WeakPolarHBondContact OG1-CE2 3.39Å
329I90.2Very high90.2Very high81 Ų8130.6 Ų30.642%0.41517%0.167SC..Hα-helixtrans-62.2-43.1172.4-66.3163.7000110.1L29 V325 K326 A332 I333L29-I329 HydrophobicContact CD2-CB 4.4Å; L29-I329 HydrophobicContact CD2-CG2 3.68Å; V325-I329 HydrophobicContact CG1-CD1 4.17Å; V325-I329 WeakPolarHBondContact O-CG1 3.37Å; V325-I329 PolarHBondContact O-N 3.08Å; K326-I329 WeakPolarHBondContact O-CB 3.43Å; K326-I329 PolarHBondContact O-N 2.96Å; I329-A332 PolarHBondContact O-N 3.22Å; I329-I333 HydrophobicContact CG2-CD1 3.72Å; I329-I333 HydrophobicContact CG2-CG1 4.34Å; I329-I333 WeakPolarHBondContact O-CB 3.22Å; I329-I333 VanDerWaalsContact O-CG1 3.23Å; I329-I333 WeakPolarHBondContact O-CG1 3.18Å; I329-I333 PolarHBondContact O-N 3.4Å
330V89.1Confident89.9Confident2 Ų231.6 Ų31.61%0.01218%0.176CC..Hα-helixtrans-60.5-48.8175.21730000111L29 P32 K326 L327 T328 A332 I333 I334L29-V330 HydrophobicContact CD2-CG2 3.86Å; P32-V330 HydrophobicContact CB-CG1 3.82Å; P32-V330 HydrophobicContact CG-CG1 3.72Å; K326-V330 PolarHBondContact O-N 3.32Å; L327-V330 CarbonylContact O-C 3.33Å; L327-V330 WeakPolarHBondContact O-CB 3.34Å; L327-V330 PolarHBondContact O-N 3.21Å; T328-V330 VanDerWaalsContact C-N 3.33Å; V330-A332 VanDerWaalsContact C-N 3.32Å; V330-A332 PolarHBondContact O-N 3.5Å; V330-I333 PolarHBondContact O-N 3.05Å; V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.31Å; V330-I334 WeakPolarHBondContact O-CB 2.93Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.04Å; V330-I334 PolarHBondContact O-N 2.88Å
331S91.6Very high89.3Confident0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-59.9-41.2176.4-590000111.9Y282 L327 T328 T335 L360Y282-S331 PolarHBondContact OH-OG 3.45Å; L327-S331 WeakPolarHBondContact O-CB 3.34Å; L327-S331 PolarHBondContact O-N 2.79Å; L327-S331 PolarHBondContact O-OG 3.41Å; T328-S331 PolarHBondContact O-N 2.87Å; S331-T335 VanDerWaalsContact O-CB 3.31Å; S331-T335 WeakPolarHBondContact O-CB 3.49Å; S331-T335 PolarHBondContact O-N 3.36Å; S331-T335 PolarHBondContact O-OG1 2.73Å; S331-L360 PolarHBondContact OG-O 2.88Å
332A91.4Very high88.6Confident41 Ų4134.6 Ų34.634%0.33919%0.19SC..Hα-helixtrans-65-44.1176.700000111.8T328 I329 V330 T335 L336 F357T328-A332 VanDerWaalsContact O-CB 3.29Å; T328-A332 WeakPolarHBondContact O-CB 3.36Å; T328-A332 PolarHBondContact O-N 3.05Å; I329-A332 PolarHBondContact O-N 3.22Å; V330-A332 VanDerWaalsContact C-N 3.32Å; V330-A332 PolarHBondContact O-N 3.5Å; A332-T335 PolarHBondContact O-N 2.78Å; A332-L336 VanDerWaalsContact O-CB 3.25Å; A332-L336 WeakPolarHBondContact O-CB 3.29Å; A332-L336 PolarHBondContact O-N 3.01Å; A332-F357 HydrophobicContact CB-CD2 4.17Å; A332-F357 HydrophobicContact CB-CE2 3.77Å
333I88.2Confident88Confident41 Ų4140.3 Ų40.321%0.2122%0.221CC..Hα-helixtrans-63.8-47.6176.8-72.6170.8000110.7L29 L33 I329 V330 T335 L336 F337L29-I333 HydrophobicContact CD2-CD1 4.13Å; L33-I333 HydrophobicContact CB-CG2 4.45Å; L33-I333 HydrophobicContact CD1-CG2 3.92Å; L33-I333 HydrophobicContact CG-CG2 4.46Å; I329-I333 HydrophobicContact CG2-CD1 3.72Å; I329-I333 HydrophobicContact CG2-CG1 4.34Å; I329-I333 WeakPolarHBondContact O-CB 3.22Å; I329-I333 VanDerWaalsContact O-CG1 3.23Å; I329-I333 WeakPolarHBondContact O-CG1 3.18Å; I329-I333 PolarHBondContact O-N 3.4Å; V330-I333 PolarHBondContact O-N 3.05Å; I333-T335 VanDerWaalsContact C-N 3.34Å; I333-T335 PolarHBondContact O-N 3.26Å; I333-L336 PolarHBondContact O-N 2.75Å; I333-F337 HydrophobicContact CG2-CD2 3.65Å; I333-F337 HydrophobicContact CG2-CE2 3.72Å; I333-F337 VanDerWaalsContact O-CD2 3.25Å; I333-F337 WeakPolarHBondContact O-CD2 3.47Å; I333-F337 PolarHBondContact O-N 2.94Å
334I89.5Confident87.2Confident0 Ų042.8 Ų42.80%025%0.248CC..Hα-helixtrans-58.6-48.9177.2-69.3169000109.7P32 V36 L278 Y282 V330 L336 F337 L338 L360P32-I334 HydrophobicContact CB-CD1 4.11Å; P32-I334 HydrophobicContact CB-CG1 4.23Å; V36-I334 HydrophobicContact CG2-CB 4.4Å; V36-I334 HydrophobicContact CG2-CG1 4.07Å; V36-I334 HydrophobicContact CG2-CG2 4.15Å; L278-I334 HydrophobicContact CD2-CD1 4.36Å; L278-I334 HydrophobicContact CD2-CG2 3.87Å; Y282-I334 HydrophobicContact CE2-CD1 3.94Å; V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.31Å; V330-I334 WeakPolarHBondContact O-CB 2.93Å; V330-I334 VanDerWaalsContact O-CG1 3.26Å; V330-I334 WeakPolarHBondContact O-CG1 3.04Å; V330-I334 PolarHBondContact O-N 2.88Å; I334-L336 PolarHBondContact O-N 3.06Å; I334-F337 PolarHBondContact O-N 2.89Å; I334-L338 HydrophobicContact CG2-CD1 3.67Å; I334-L338 HydrophobicContact CG2-CG 4.21Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.24Å; I334-L338 WeakPolarHBondContact O-CG 3.43Å; I334-L338 PolarHBondContact O-N 2.8Å; I334-L360 HydrophobicContact CB-CD1 4.3Å; I334-L360 HydrophobicContact CG2-CD1 3.76Å
335T91.3Very high86.6Confident7 Ų743.6 Ų43.64%0.04325%0.25CS..Hα-helixtrans-60.3-47.1178.5-54.90000111.2S331 A332 I333 F337 L338 C339 P353 I356 F357S331-T335 VanDerWaalsContact O-CB 3.31Å; S331-T335 WeakPolarHBondContact O-CB 3.49Å; S331-T335 PolarHBondContact O-N 3.36Å; S331-T335 PolarHBondContact O-OG1 2.73Å; A332-T335 PolarHBondContact O-N 2.78Å; I333-T335 VanDerWaalsContact C-N 3.34Å; I333-T335 PolarHBondContact O-N 3.26Å; T335-F337 VanDerWaalsContact C-N 3.33Å; T335-F337 PolarHBondContact O-N 3.01Å; T335-L338 PolarHBondContact O-N 3.34Å; T335-C339 WeakPolarHBondContact O-CB 3.46Å; T335-C339 PolarHBondContact O-N 3.06Å; T335-P353 HydrophobicContact CG2-CB 4.14Å; T335-P353 WeakPolarHBondContact CG2-O 3.49Å; T335-I356 HydrophobicContact CG2-CB 4.11Å; T335-I356 HydrophobicContact CG2-CG2 4.03Å; T335-F357 HydrophobicContact CG2-CB 4Å; T335-F357 WeakPolarHBondContact OG1-CA 3.4Å
336L89.2Confident86.3Confident109 Ų10944.1 Ų44.157%0.57124%0.243SC*.Hα-helixtrans-55.4-50.8177.5-179.870.7000109.6A332 I333 I334 L338 C339 A340A332-L336 VanDerWaalsContact O-CB 3.25Å; A332-L336 WeakPolarHBondContact O-CB 3.29Å; A332-L336 PolarHBondContact O-N 3.01Å; I333-L336 PolarHBondContact O-N 2.75Å; I334-L336 PolarHBondContact O-N 3.06Å; L336-L338 PolarHBondContact O-N 2.9Å; L336-C339 PolarHBondContact O-N 3.37Å; L336-A340 HydrophobicContact CD1-CB 4.36Å; L336-A340 HydrophobicContact CG-CB 4.42Å; L336-A340 VanDerWaalsContact O-CA 3.29Å; L336-A340 WeakPolarHBondContact O-CA 3.43Å; L336-A340 WeakPolarHBondContact O-CB 3.44Å; L336-A340 PolarHBondContact O-N 3.17Å
337F86.3Confident86.1Confident46 Ų4643.6 Ų43.620%0.20224%0.24CC..Hα-helixtrans-71.3-27.6-178.9-80.4-64.2000114.1L33 V36 L40 I333 I334 T335 I342L33-F337 HydrophobicContact CD1-CE2 3.58Å; L33-F337 HydrophobicContact CD1-CZ 4.13Å; L33-F337 HydrophobicContact CG-CE2 3.79Å; L33-F337 HydrophobicContact CG-CZ 4.29Å; V36-F337 HydrophobicContact CB-CB 4.15Å; V36-F337 HydrophobicContact CG1-CB 3.37Å; V36-F337 HydrophobicContact CG1-CG 4.39Å; L40-F337 HydrophobicContact CD1-CB 3.68Å; L40-F337 HydrophobicContact CD1-CD1 3.16Å; L40-F337 HydrophobicContact CD1-CE1 4Å; L40-F337 HydrophobicContact CD1-CG 3.76Å; L40-F337 WeakPolarHBondContact CD2-O 3.3Å; I333-F337 HydrophobicContact CG2-CD2 3.65Å; I333-F337 HydrophobicContact CG2-CE2 3.72Å; I333-F337 VanDerWaalsContact O-CD2 3.25Å; I333-F337 WeakPolarHBondContact O-CD2 3.47Å; I333-F337 PolarHBondContact O-N 2.94Å; I334-F337 PolarHBondContact O-N 2.89Å; T335-F337 VanDerWaalsContact C-N 3.33Å; T335-F337 PolarHBondContact O-N 3.01Å; F337-I342 HydrophobicContact CD1-CD1 4.45Å
338L88.7Confident85.9Confident3 Ų343.7 Ų43.72%0.01624%0.241CC..Hα-helixtrans-71.5-33.3173.7-71.3174.3000112.2V36 L274 I334 T335 L336 I347 L348V36-L338 HydrophobicContact CG1-CD2 4.22Å; V36-L338 HydrophobicContact CG1-CG 4.36Å; L274-L338 HydrophobicContact CD1-CD2 4.18Å; L274-L338 HydrophobicContact CD2-CD2 4.45Å; I334-L338 HydrophobicContact CG2-CD1 3.67Å; I334-L338 HydrophobicContact CG2-CG 4.21Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.24Å; I334-L338 WeakPolarHBondContact O-CG 3.43Å; I334-L338 PolarHBondContact O-N 2.8Å; T335-L338 PolarHBondContact O-N 3.34Å; L336-L338 PolarHBondContact O-N 2.9Å; L338-I347 HydrophobicContact CD2-CB 4.45Å; L338-I347 HydrophobicContact CD2-CD1 4.19Å; L338-I347 HydrophobicContact CD2-CG2 3.94Å; L338-I347 WeakPolarHBondContact O-CB 3.3Å; L338-I347 PolarHBondContact O-N 3.11Å; L338-L348 HydrophobicContact CB-CD1 3.99Å; L338-L348 HydrophobicContact CB-CG 4.42Å; L338-L348 HydrophobicContact CD1-CD1 4.43Å; L338-L348 PolarHBondContact O-N 3.16Å
339C88.9Confident85.5Confident11 Ų1144.1 Ų44.17%0.07424%0.242CC..Hα-helixtrans-107-14.6-175.6-61.50000114.6T335 L336 R346 P353 I356T335-C339 WeakPolarHBondContact O-CB 3.46Å; T335-C339 PolarHBondContact O-N 3.06Å; L336-C339 PolarHBondContact O-N 3.37Å; C339-R346 WeakPolarHBondContact O-CD 3.43Å; C339-P353 HydrophobicContact CB-CB 4.06Å; C339-P353 HydrophobicContact CB-CG 3.76Å; C339-I356 WeakPolarHBondContact SG-CD1 3.26Å
340A83.6Confident85.3Confident27 Ų2744.8 Ų44.822%0.22324%0.242CC..  trans-70.6142.2-17700000110.9L336L336-A340 HydrophobicContact CD1-CB 4.36Å; L336-A340 HydrophobicContact CG-CB 4.42Å; L336-A340 VanDerWaalsContact O-CA 3.29Å; L336-A340 WeakPolarHBondContact O-CA 3.43Å; L336-A340 WeakPolarHBondContact O-CB 3.44Å; L336-A340 PolarHBondContact O-N 3.17Å
341E80.6Confident85.3Confident111 Ų11145 Ų4552%0.51924%0.243SC..  trans-87116.3176.1-165.5174.4151.300109.8R346E341-R346 HydrophobicContact CB-CG 3.91Å; E341-R346 HydrophobicContact CG-CG 4.17Å; E341-R346 IonicContact OE2-CZ 3.47Å; E341-R346 IonicContact OE2-NE 3.69Å; E341-R346 PolarHBondContact OE2-NE 3.09Å; E341-R346 IonicContact OE2-NH2 2.86Å; E341-R346 PolarHBondContact OE2-NH2 3.18Å
342I75.8Confident85.4Confident60 Ų6046.7 Ų46.731%0.30825%0.252SS..BIsolated β-bridgetrans-121.7119.8176.3-56.7-178.6000107L40 Q44 F337 G344 K345L40-I342 HydrophobicContact CD1-CD1 3.95Å; L40-I342 HydrophobicContact CD2-CD1 4.13Å; Q44-I342 PolarHBondContact NE2-O 3.45Å; F337-I342 HydrophobicContact CD1-CD1 4.45Å; I342-G344 VanDerWaalsContact C-N 3.26Å; I342-G344 PolarHBondContact O-N 3.38Å; I342-K345 PolarHBondContact N-O 2.83Å; I342-K345 PolarHBondContact O-N 3.31Å; I342-K345 VanDerWaalsContact O-N 3.12Å
343N78Confident85.4Confident141 Ų14147.6 Ų47.675%0.75426%0.255SS*.THydrogen-bonded Turntrans51.740.3-173.9-56.2-27.3000113.6Q44 K345Q44-N343 PolarHBondContact OE1-ND2 3.19Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.96Å
344G74.6Confident85.7Confident57 Ų5749.1 Ų49.159%0.58827%0.266SS*.THydrogen-bonded Turntrans76.210179.600000115.3I342I342-G344 VanDerWaalsContact C-N 3.26Å; I342-G344 PolarHBondContact O-N 3.38Å
345K79.6Confident85.9Confident46 Ų4649.1 Ų49.120%0.227%0.266CS..BIsolated β-bridgetrans-123.8135.5-178.8-61.2-179.9-179.3-171.70111.2Q44 V46 I342 N343Q44-K345 PolarHBondContact O-NZ 3.33Å; V46-K345 PolarHBondContact O-NZ 3.07Å; I342-K345 PolarHBondContact N-O 2.83Å; I342-K345 PolarHBondContact O-N 3.31Å; I342-K345 VanDerWaalsContact O-N 3.12Å; N343-K345 VanDerWaalsContact C-N 3.3Å; N343-K345 PolarHBondContact O-N 2.96Å
346R84.5Confident86Confident99 Ų9949 Ų4937%0.37427%0.265SS..  trans-114.8156.3171.8-55.3174.3-175.5-172.8-0.9109.6R43 C339 E341 D349R43-R346 PolarHBondContact NE-O 2.68Å; R43-R346 PolarHBondContact NH2-O 3.21Å; C339-R346 WeakPolarHBondContact O-CD 3.43Å; E341-R346 HydrophobicContact CB-CG 3.91Å; E341-R346 HydrophobicContact CG-CG 4.17Å; E341-R346 IonicContact OE2-CZ 3.47Å; E341-R346 IonicContact OE2-NE 3.69Å; E341-R346 PolarHBondContact OE2-NE 3.09Å; E341-R346 IonicContact OE2-NH2 2.86Å; E341-R346 PolarHBondContact OE2-NH2 3.18Å; R346-D349 WeakPolarHBondContact CB-OD1 3.22Å; R346-D349 VanDerWaalsContact O-OD1 3.09Å
347I84.2Confident86.3Confident2 Ų247 Ų471%0.0125%0.252CS..SBendtrans-78.2-52.2172.8-70.9169.3000109.3L39 L40 R43 F266 I270 L338L39-I347 HydrophobicContact CB-CD1 4.03Å; L40-I347 HydrophobicContact CB-CD1 4.43Å; L40-I347 HydrophobicContact CD2-CD1 3.49Å; L40-I347 VanDerWaalsContact CD2-CD1 3.49Å; L40-I347 HydrophobicContact CD2-CG1 3.81Å; L40-I347 HydrophobicContact CG-CD1 3.57Å; L40-I347 HydrophobicContact CG-CG1 4.42Å; R43-I347 HydrophobicContact CB-CG1 4.05Å; R43-I347 HydrophobicContact CG-CG1 4.01Å; F266-I347 HydrophobicContact CD1-CG2 4.1Å; F266-I347 HydrophobicContact CE1-CB 4.41Å; F266-I347 HydrophobicContact CE1-CG1 4.14Å; F266-I347 HydrophobicContact CE1-CG2 3.65Å; I270-I347 HydrophobicContact CD1-CG2 3.93Å; I270-I347 WeakPolarHBondContact CD1-O 3.47Å; I270-I347 HydrophobicContact CG1-CG2 4.16Å; L338-I347 HydrophobicContact CD2-CB 4.45Å; L338-I347 HydrophobicContact CD2-CD1 4.19Å; L338-I347 HydrophobicContact CD2-CG2 3.94Å; L338-I347 WeakPolarHBondContact O-CB 3.3Å; L338-I347 PolarHBondContact O-N 3.11Å
348L87.5Confident86.8Confident3 Ų347.9 Ų47.92%0.01626%0.256CS..SBendtrans-100.1103169.5-60.1174.1000106.9I270 L338 I356 I432 E436I270-L348 HydrophobicContact CD1-CD2 3.87Å; I270-L348 HydrophobicContact CG2-CD2 4.27Å; L338-L348 HydrophobicContact CB-CD1 3.99Å; L338-L348 HydrophobicContact CB-CG 4.42Å; L338-L348 HydrophobicContact CD1-CD1 4.43Å; L338-L348 PolarHBondContact O-N 3.16Å; L348-I356 HydrophobicContact CD1-CD1 3.41Å; L348-I356 VanDerWaalsContact CD1-CD1 3.41Å; L348-I356 HydrophobicContact CD1-CG1 4.34Å; L348-I432 HydrophobicContact CD1-CG2 4.11Å; L348-I432 HydrophobicContact CD2-CG2 3.88Å; L348-E436 HydrophobicContact CD2-CG 4.07Å
349D82.1Confident87.1Confident39 Ų3947.8 Ų47.821%0.20926%0.255CS..SBendtrans-76.1-36.3-174.8-69.3-37.3000111.1R43 N264 R346 E436R43-D349 IonicContact NH2-OD1 2.78Å; R43-D349 IonicContact NH2-OD2 3.81Å; N264-D349 PolarHBondContact ND2-OD2 3.28Å; R346-D349 WeakPolarHBondContact CB-OD1 3.22Å; R346-D349 VanDerWaalsContact O-OD1 3.09Å; D349-E436 WeakPolarHBondContact CA-OE1 3.47Å; D349-E436 PolarHBondContact N-OE1 2.99Å
350K85.6Confident87.4Confident95 Ų9547.3 Ų47.341%0.41325%0.252SS..SBendtrans-109.6-35.2-171.6-62.6-63.5-173.6177.90114.6E436 Q443K350-E436 PolarHBondContact N-OE1 2.66Å; K350-Q443 PolarHBondContact O-NE2 2.96Å
351S90.8Very high87.9Confident6 Ų649.1 Ų49.14%0.04226%0.255CS..SBendtrans-61.4138.9-174.4-62.50000113.8P353 E436 G441 L442S351-P353 WeakPolarHBondContact O-CD 3.42Å; S351-E436 WeakPolarHBondContact CB-OE2 3.42Å; S351-E436 PolarHBondContact N-OE2 3.28Å; S351-E436 VanDerWaalsContact N-OE2 3.17Å; S351-E436 PolarHBondContact OG-OE2 2.92Å; S351-G441 WeakPolarHBondContact OG-CA 3.38Å; S351-L442 WeakPolarHBondContact CA-O 3.46Å; S351-L442 PolarHBondContact OG-N 2.8Å
352D92.3Very high88.7Confident36 Ų3644 Ų4419%0.19323%0.231CC..  trans-68.9121178.3-177.2-17.1000110.9T354 V355 I356 L442 W444D352-T354 PolarHBondContact O-N 2.81Å; D352-T354 WeakPolarHBondContact OD1-CB 3.5Å; D352-T354 PolarHBondContact OD1-N 3.2Å; D352-T354 PolarHBondContact OD1-OG1 2.9Å; D352-T354 PolarHBondContact OD2-OG1 2.76Å; D352-V355 HydrophobicContact CB-CB 4.45Å; D352-V355 HydrophobicContact CB-CG2 3.9Å; D352-V355 PolarHBondContact O-N 2.8Å; D352-I356 PolarHBondContact O-N 3.48Å; D352-L442 PolarHBondContact N-O 3.31Å; D352-W444 PolarHBondContact OD2-NE1 3.27Å
353P93.1Very high89.6Confident61 Ų6141.1 Ų41.140%0.39622%0.217SC..Hα-helixtrans-54.5-35.5177.8-21.329.2000113.3T335 C339 S351 I356 F357T335-P353 HydrophobicContact CG2-CB 4.14Å; T335-P353 WeakPolarHBondContact CG2-O 3.49Å; C339-P353 HydrophobicContact CB-CB 4.06Å; C339-P353 HydrophobicContact CB-CG 3.76Å; S351-P353 WeakPolarHBondContact O-CD 3.42Å; P353-I356 PolarHBondContact O-N 3.32Å; P353-F357 WeakPolarHBondContact O-CB 3.33Å; P353-F357 PolarHBondContact O-N 3.43Å
354T94.1Very high90.4Very high73 Ų7334.4 Ų34.445%0.44818%0.181SC..Hα-helixtrans-69.8-35.1-175.764.90000112.4D352 F358 W444D352-T354 PolarHBondContact O-N 2.81Å; D352-T354 WeakPolarHBondContact OD1-CB 3.5Å; D352-T354 PolarHBondContact OD1-N 3.2Å; D352-T354 PolarHBondContact OD1-OG1 2.9Å; D352-T354 PolarHBondContact OD2-OG1 2.76Å; T354-F358 WeakPolarHBondContact O-CB 3.17Å; T354-F358 PolarHBondContact O-N 3.3Å; T354-W444 PolarHBondContact OG1-NE1 3.09Å
355V93.6Very high91.4Very high0 Ų032.4 Ų32.40%016%0.159CC..Hα-helixtrans-70.9-44.4176.5-175.30000110.6D352 F357 F358 F359 L442 W444 L447D352-V355 HydrophobicContact CB-CB 4.45Å; D352-V355 HydrophobicContact CB-CG2 3.9Å; D352-V355 PolarHBondContact O-N 2.8Å; V355-F357 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.16Å; V355-F358 PolarHBondContact O-N 2.91Å; V355-F359 PolarHBondContact O-N 2.75Å; V355-L442 HydrophobicContact CB-CD2 4.45Å; V355-L442 HydrophobicContact CG1-CD2 3.57Å; V355-L442 HydrophobicContact CG1-CG 3.86Å; V355-W444 HydrophobicContact CG2-CB 4.45Å; V355-W444 VanDerWaalsContact CG2-CD1 3.43Å; V355-W444 HydrophobicContact CG2-CD2 3.68Å; V355-W444 VanDerWaalsContact CG2-CE2 3.48Å; V355-W444 HydrophobicContact CG2-CE3 4.47Å; V355-W444 HydrophobicContact CG2-CG 3.65Å; V355-W444 HydrophobicContact CG2-CZ2 4.1Å; V355-W444 VanDerWaalsContact CG2-NE1 3.33Å; V355-L447 HydrophobicContact CG1-CD1 4.2Å; V355-L447 HydrophobicContact CG1-CD2 4.27Å; V355-L447 HydrophobicContact CG1-CG 4.27Å
356I93.4Very high92.1Very high3 Ų330.3 Ų30.32%0.01515%0.15CC..Hα-helixtrans-60.6-45.8176.8-65.1158.4000110T335 C339 L348 D352 P353 F358 F359 L360T335-I356 HydrophobicContact CG2-CB 4.11Å; T335-I356 HydrophobicContact CG2-CG2 4.03Å; C339-I356 WeakPolarHBondContact SG-CD1 3.26Å; L348-I356 HydrophobicContact CD1-CD1 3.41Å; L348-I356 VanDerWaalsContact CD1-CD1 3.41Å; L348-I356 HydrophobicContact CD1-CG1 4.34Å; D352-I356 PolarHBondContact O-N 3.48Å; P353-I356 PolarHBondContact O-N 3.32Å; I356-F358 VanDerWaalsContact C-N 3.34Å; I356-F358 PolarHBondContact O-N 3.2Å; I356-F359 PolarHBondContact O-N 3.41Å; I356-L360 HydrophobicContact CG2-CD1 4.06Å; I356-L360 HydrophobicContact CG2-CG 4.45Å; I356-L360 WeakPolarHBondContact O-CG 3.24Å; I356-L360 PolarHBondContact O-N 2.77Å
357F95.7Very high92.5Very high67 Ų6725.6 Ų25.629%0.29413%0.132SC..Hα-helixtrans-58.8-45.8175.3174.9-106.7000111.6T328 A332 T335 P353 V355 F359 L360 F361T328-F357 HydrophobicContact CG2-CE2 3.99Å; T328-F357 HydrophobicContact CG2-CZ 3.63Å; A332-F357 HydrophobicContact CB-CD2 4.17Å; A332-F357 HydrophobicContact CB-CE2 3.77Å; T335-F357 HydrophobicContact CG2-CB 4Å; T335-F357 WeakPolarHBondContact OG1-CA 3.4Å; P353-F357 WeakPolarHBondContact O-CB 3.33Å; P353-F357 PolarHBondContact O-N 3.43Å; V355-F357 VanDerWaalsContact C-N 3.32Å; V355-F357 PolarHBondContact O-N 3.16Å; F357-F359 PolarHBondContact O-N 2.96Å; F357-L360 PolarHBondContact O-N 3.03Å; F357-F361 WeakPolarHBondContact O-CB 3.11Å; F357-F361 PolarHBondContact O-N 3.09Å
358F95.7Very high93Very high65 Ų6525.5 Ų25.529%0.28513%0.131SC..Hα-helixtrans-60.6-44.9178.7179.1-111.9000112T354 V355 I356 F361 V362 W444 I463T354-F358 WeakPolarHBondContact O-CB 3.17Å; T354-F358 PolarHBondContact O-N 3.3Å; V355-F358 PolarHBondContact O-N 2.91Å; I356-F358 VanDerWaalsContact C-N 3.34Å; I356-F358 PolarHBondContact O-N 3.2Å; F358-F361 WeakPolarHBondContact O-CB 3.26Å; F358-F361 PolarHBondContact O-N 2.84Å; F358-V362 HydrophobicContact CD2-CG2 4.39Å; F358-V362 HydrophobicContact CE1-CG2 4.32Å; F358-V362 HydrophobicContact CE2-CG2 3.99Å; F358-V362 HydrophobicContact CZ-CG2 3.96Å; F358-V362 WeakPolarHBondContact O-CG2 3.37Å; F358-V362 PolarHBondContact O-N 3.01Å; F358-W444 HydrophobicContact CB-CH2 4.1Å; F358-W444 HydrophobicContact CB-CZ2 4.46Å; F358-W444 AromaticContact CD1-CH2 3.99Å; F358-W444 HydrophobicContact CD1-CH2 3.99Å; F358-W444 HydrophobicContact CD1-CZ3 4.41Å; F358-W444 HydrophobicContact CG-CH2 4.02Å; F358-I463 HydrophobicContact CD1-CD1 4.18Å; F358-I463 HydrophobicContact CE1-CD1 4.15Å; F358-I463 HydrophobicContact CE1-CG2 4.04Å
359F95.6Very high93.3Very high1 Ų125.5 Ų25.50%0.00413%0.132CC..Hα-helixtrans-59.1-50.5174.9168.9-115.7000112.4V355 I356 F357 F361 V362 Y363 M425 V429 I432 M459 I462 I463 L466V355-F359 PolarHBondContact O-N 2.75Å; I356-F359 PolarHBondContact O-N 3.41Å; F357-F359 PolarHBondContact O-N 2.96Å; F359-F361 VanDerWaalsContact C-N 3.28Å; F359-F361 PolarHBondContact O-N 2.92Å; F359-V362 PolarHBondContact O-N 3.36Å; F359-Y363 WeakPolarHBondContact O-CB 3.26Å; F359-Y363 PolarHBondContact O-N 3.49Å; F359-M425 HydrophobicContact CZ-CG 4.44Å; F359-V429 HydrophobicContact CE1-CG2 4.28Å; F359-I432 HydrophobicContact CD1-CD1 4.25Å; F359-I432 HydrophobicContact CE1-CD1 4.39Å; F359-M459 HydrophobicContact CB-CE 3.52Å; F359-M459 HydrophobicContact CD1-CE 3.72Å; F359-M459 HydrophobicContact CD2-CE 3.18Å; F359-M459 HydrophobicContact CD2-SD 4.39Å; F359-M459 HydrophobicContact CE1-CE 4.16Å; F359-M459 HydrophobicContact CE2-CE 3.68Å; F359-M459 HydrophobicContact CG-CE 3.17Å; F359-M459 HydrophobicContact CZ-CE 4.13Å; F359-I462 HydrophobicContact CE2-CG2 4.11Å; F359-I463 HydrophobicContact CD2-CG1 4.06Å; F359-L466 HydrophobicContact CD2-CD1 4.39Å; F359-L466 HydrophobicContact CE2-CD1 4.06Å
360L94.5Very high93.8Very high2 Ų224.6 Ų24.61%0.0113%0.126CC..Hα-helixtrans-66.6-30.7178.6-67-179.9000112.3L278 S331 I334 I356 F357 S364L278-L360 HydrophobicContact CD1-CD2 4.02Å; S331-L360 PolarHBondContact OG-O 2.88Å; I334-L360 HydrophobicContact CB-CD1 4.3Å; I334-L360 HydrophobicContact CG2-CD1 3.76Å; I356-L360 HydrophobicContact CG2-CD1 4.06Å; I356-L360 HydrophobicContact CG2-CG 4.45Å; I356-L360 WeakPolarHBondContact O-CG 3.24Å; I356-L360 PolarHBondContact O-N 2.77Å; F357-L360 PolarHBondContact O-N 3.03Å; L360-S364 WeakPolarHBondContact O-CB 3.24Å; L360-S364 PolarHBondContact O-N 3.41Å
361F95.6Very high94.1Very high65 Ų6520.1 Ų20.129%0.28511%0.106SC..Hα-helixtrans-66.4-48.2174172.3-100.5000111.2L324 T328 F357 F358 F359 Y363 S364 A365L324-F361 HydrophobicContact CD1-CE2 3.85Å; L324-F361 HydrophobicContact CD1-CZ 4.24Å; L324-F361 HydrophobicContact CD2-CE2 4.41Å; L324-F361 HydrophobicContact CD2-CZ 4.39Å; L324-F361 HydrophobicContact CG-CE2 4.18Å; T328-F361 HydrophobicContact CG2-CD2 3.97Å; T328-F361 HydrophobicContact CG2-CE2 4.27Å; T328-F361 WeakPolarHBondContact OG1-CD2 3.09Å; T328-F361 WeakPolarHBondContact OG1-CE2 3.39Å; F357-F361 WeakPolarHBondContact O-CB 3.11Å; F357-F361 PolarHBondContact O-N 3.09Å; F358-F361 WeakPolarHBondContact O-CB 3.26Å; F358-F361 PolarHBondContact O-N 2.84Å; F359-F361 VanDerWaalsContact C-N 3.28Å; F359-F361 PolarHBondContact O-N 2.92Å; F361-Y363 VanDerWaalsContact C-N 3.34Å; F361-Y363 PolarHBondContact O-N 3.24Å; F361-S364 WeakPolarHBondContact O-CB 3.47Å; F361-S364 PolarHBondContact O-N 3.17Å; F361-S364 VanDerWaalsContact O-N 3.14Å; F361-S364 PolarHBondContact O-OG 3.21Å; F361-A365 PolarHBondContact O-N 2.84Å
362V95.5Very high94.2Very high2 Ų221.1 Ų21.11%0.01211%0.11CC..Hα-helixtrans-62.3-43.7176.6174.40000110.7F358 F359 S364 A365 M366 I463 L466 F467F358-V362 HydrophobicContact CD2-CG2 4.39Å; F358-V362 HydrophobicContact CE1-CG2 4.32Å; F358-V362 HydrophobicContact CE2-CG2 3.99Å; F358-V362 HydrophobicContact CZ-CG2 3.96Å; F358-V362 WeakPolarHBondContact O-CG2 3.37Å; F358-V362 PolarHBondContact O-N 3.01Å; F359-V362 PolarHBondContact O-N 3.36Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.81Å; V362-A365 PolarHBondContact O-N 3.09Å; V362-M366 PolarHBondContact O-N 2.82Å; V362-I463 HydrophobicContact CG1-CG2 4.29Å; V362-I463 HydrophobicContact CG2-CG2 4.29Å; V362-L466 HydrophobicContact CG1-CB 3.86Å; V362-L466 HydrophobicContact CG1-CD1 4.34Å; V362-F467 HydrophobicContact CB-CE2 4.44Å; V362-F467 HydrophobicContact CB-CZ 4.46Å; V362-F467 HydrophobicContact CG1-CD2 3.98Å; V362-F467 HydrophobicContact CG1-CE1 4.39Å; V362-F467 HydrophobicContact CG1-CE2 3.74Å; V362-F467 HydrophobicContact CG1-CG 4.41Å; V362-F467 HydrophobicContact CG1-CZ 3.96Å; V362-F467 HydrophobicContact CG2-CE2 3.75Å; V362-F467 HydrophobicContact CG2-CZ 3.64Å
363Y95.8Very high94.1Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-58.4-41.2173.8174.4-113.3000112.2Y282 F359 F361 M366 A367 W392 N422 M425 L466Y282-Y363 HydrophobicContact CD1-CE1 4.08Å; Y282-Y363 HydrophobicContact CD2-CD1 4.5Å; Y282-Y363 AromaticContact CD2-CE1 3.76Å; Y282-Y363 HydrophobicContact CD2-CE1 3.76Å; Y282-Y363 HydrophobicContact CE1-CD1 4.23Å; Y282-Y363 HydrophobicContact CE1-CE1 4.18Å; Y282-Y363 HydrophobicContact CE2-CD1 4.17Å; Y282-Y363 AromaticContact CE2-CE1 3.87Å; Y282-Y363 HydrophobicContact CE2-CE1 3.87Å; Y282-Y363 AromaticContact CG-CE1 3.86Å; Y282-Y363 HydrophobicContact CG-CE1 3.86Å; F359-Y363 WeakPolarHBondContact O-CB 3.26Å; F359-Y363 PolarHBondContact O-N 3.49Å; F361-Y363 VanDerWaalsContact C-N 3.34Å; F361-Y363 PolarHBondContact O-N 3.24Å; Y363-M366 HydrophobicContact CD2-CE 3.42Å; Y363-M366 VanDerWaalsContact CD2-CE 3.42Å; Y363-M366 HydrophobicContact CE2-CE 3.58Å; Y363-M366 PolarHBondContact O-N 3.08Å; Y363-A367 WeakPolarHBondContact O-CB 3.48Å; Y363-A367 PolarHBondContact O-N 2.85Å; Y363-W392 HydrophobicContact CE2-CH2 4.15Å; Y363-W392 HydrophobicContact CE2-CZ2 4.48Å; Y363-W392 AromaticContact CZ-CH2 3.94Å; Y363-W392 AromaticContact CZ-CZ2 3.85Å; Y363-W392 WeakPolarHBondContact OH-CZ2 3.03Å; Y363-N422 PolarHBondContact OH-OD1 2.76Å; Y363-M425 HydrophobicContact CD1-CG 4.26Å; Y363-M425 HydrophobicContact CD2-CB 3.77Å; Y363-M425 HydrophobicContact CD2-CG 4.13Å; Y363-M425 HydrophobicContact CE1-CG 3.99Å; Y363-M425 HydrophobicContact CE1-SD 4.03Å; Y363-M425 HydrophobicContact CE2-CB 3.49Å; Y363-M425 VanDerWaalsContact CE2-CB 3.49Å; Y363-M425 HydrophobicContact CE2-CG 3.89Å; Y363-M425 HydrophobicContact CE2-SD 4.42Å; Y363-M425 HydrophobicContact CG-CB 4.4Å; Y363-M425 HydrophobicContact CG-CG 4.29Å; Y363-L466 HydrophobicContact CD2-CD2 4.26Å
364S94.4Very high93.9Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-64.4-39.7176.878.90000113.4L360 F361 V362 A367 I368L360-S364 WeakPolarHBondContact O-CB 3.24Å; L360-S364 PolarHBondContact O-N 3.41Å; F361-S364 WeakPolarHBondContact O-CB 3.47Å; F361-S364 PolarHBondContact O-N 3.17Å; F361-S364 VanDerWaalsContact O-N 3.14Å; F361-S364 PolarHBondContact O-OG 3.21Å; V362-S364 VanDerWaalsContact C-N 3.29Å; V362-S364 PolarHBondContact O-N 2.81Å; S364-A367 PolarHBondContact O-N 2.96Å; S364-I368 WeakPolarHBondContact O-CG1 3.35Å; S364-I368 PolarHBondContact O-N 3.37Å
365A94.9Very high93.7Very high16 Ų1613.8 Ų13.813%0.1327%0.065CC..Hα-helixtrans-63.9-44.7175.900000111F320 L324 F361 V362 I368 C369F320-A365 HydrophobicContact CZ-CB 4.43Å; L324-A365 HydrophobicContact CD1-CB 3.98Å; F361-A365 PolarHBondContact O-N 2.84Å; V362-A365 PolarHBondContact O-N 3.09Å; A365-I368 PolarHBondContact O-N 2.91Å; A365-C369 PolarHBondContact O-N 3.49Å; A365-C369 VanDerWaalsContact O-N 3.1Å; A365-C369 PolarHBondContact O-SG 2.81Å
366M94.9Very high93.3Very high1 Ų113.9 Ų13.91%0.0057%0.065CC..Hα-helixtrans-61.5-43.8175.1178.8-72.3-65.300111.5V362 Y363 I368 C369 Y370 A421 L466 D469 S470V362-M366 PolarHBondContact O-N 2.82Å; Y363-M366 HydrophobicContact CD2-CE 3.42Å; Y363-M366 VanDerWaalsContact CD2-CE 3.42Å; Y363-M366 HydrophobicContact CE2-CE 3.58Å; Y363-M366 PolarHBondContact O-N 3.08Å; M366-I368 PolarHBondContact O-N 3.42Å; M366-C369 WeakPolarHBondContact O-CA 3.46Å; M366-C369 WeakPolarHBondContact O-CB 3.44Å; M366-C369 PolarHBondContact O-N 2.68Å; M366-Y370 WeakPolarHBondContact O-CB 3.33Å; M366-Y370 PolarHBondContact O-N 3.46Å; M366-A421 HydrophobicContact CE-CB 3.2Å; M366-A421 HydrophobicContact SD-CB 3.44Å; M366-A421 WeakPolarHBondContact SD-CB 3.39Å; M366-L466 HydrophobicContact CE-CD2 3.58Å; M366-L466 HydrophobicContact CG-CD2 4.19Å; M366-D469 HydrophobicContact CG-CB 4.09Å; M366-S470 VanDerWaalsContact CA-OG 3.26Å; M366-S470 WeakPolarHBondContact CA-OG 3.45Å; M366-S470 VanDerWaalsContact CB-OG 3.23Å; M366-S470 WeakPolarHBondContact CB-OG 3.49Å
367A93.4Very high92.7Very high0 Ų017.4 Ų17.40%08%0.081CC..Hα-helixtrans-58.2-36177.500000112.4V286 Y363 S364 C371 W392V286-A367 HydrophobicContact CG2-CB 4.4Å; Y363-A367 WeakPolarHBondContact O-CB 3.48Å; Y363-A367 PolarHBondContact O-N 2.85Å; S364-A367 PolarHBondContact O-N 2.96Å; A367-C371 PolarHBondContact O-N 2.85Å; A367-C371 PolarHBondContact O-SG 3.14Å; A367-W392 HydrophobicContact CB-CH2 3.68Å; A367-W392 HydrophobicContact CB-CZ3 4.26Å
368I93.9Very high91.9Very high0 Ų015.1 Ų15.10%07%0.071CC..Hα-helixtrans-69.5-44.9174.7-62161.4000110.8I289 F320 N323 L324 L327 S364 A365 M366 Y370 C371 F372I289-I368 HydrophobicContact CD1-CG1 4.38Å; F320-I368 HydrophobicContact CD2-CB 4.22Å; F320-I368 HydrophobicContact CD2-CG2 3.55Å; F320-I368 HydrophobicContact CE2-CB 4.23Å; F320-I368 HydrophobicContact CE2-CG2 4.07Å; F320-I368 HydrophobicContact CG-CG2 4.41Å; N323-I368 HydrophobicContact CB-CD1 3.99Å; N323-I368 HydrophobicContact CB-CG1 4.16Å; N323-I368 HydrophobicContact CB-CG2 4.43Å; L324-I368 VanDerWaalsContact CA-CD1 3.48Å; L324-I368 HydrophobicContact CB-CD1 3.98Å; L324-I368 HydrophobicContact CD1-CD1 4.2Å; L324-I368 VanDerWaalsContact N-CD1 3.33Å; L327-I368 HydrophobicContact CD1-CD1 3.94Å; L327-I368 HydrophobicContact CD1-CG1 3.67Å; S364-I368 WeakPolarHBondContact O-CG1 3.35Å; S364-I368 PolarHBondContact O-N 3.37Å; A365-I368 PolarHBondContact O-N 2.91Å; M366-I368 PolarHBondContact O-N 3.42Å; I368-Y370 VanDerWaalsContact C-N 3.28Å; I368-Y370 PolarHBondContact O-N 3.28Å; I368-C371 WeakPolarHBondContact O-CB 3.27Å; I368-C371 PolarHBondContact O-N 3.38Å; I368-C371 VanDerWaalsContact O-N 3.08Å; I368-F372 HydrophobicContact CG2-CD2 4Å; I368-F372 HydrophobicContact CG2-CE2 3.67Å; I368-F372 VanDerWaalsContact O-CD2 3.27Å; I368-F372 WeakPolarHBondContact O-CD2 3.47Å; I368-F372 PolarHBondContact O-N 3.17Å
369C94.2Very high90.7Very high4 Ų415.3 Ų15.33%0.0278%0.075CC..Hα-helixtrans-56.8-44.4175.1-64.40000111.2A365 M366 C371 F372 A373 C473 I474A365-C369 PolarHBondContact O-N 3.49Å; A365-C369 VanDerWaalsContact O-N 3.1Å; A365-C369 PolarHBondContact O-SG 2.81Å; M366-C369 WeakPolarHBondContact O-CA 3.46Å; M366-C369 WeakPolarHBondContact O-CB 3.44Å; M366-C369 PolarHBondContact O-N 2.68Å; C369-C371 PolarHBondContact O-N 3.33Å; C369-F372 WeakPolarHBondContact O-CB 3.38Å; C369-F372 PolarHBondContact O-N 2.81Å; C369-F372 VanDerWaalsContact O-N 3.16Å; C369-A373 PolarHBondContact O-N 2.93Å; C369-C473 HydrophobicContact CB-CB 3.88Å; C369-I474 HydrophobicContact CB-CG1 4.16Å
370Y92.7Very high89.5Confident20 Ų2016.6 Ų16.68%0.0788%0.084CC..Hα-helixtrans-59.9-42.2173.4171.6-96.8000112.5V286 M366 I368 F372 A373 I374 I391 W392 L395V286-Y370 HydrophobicContact CG1-CD1 4.37Å; V286-Y370 HydrophobicContact CG1-CE1 4.16Å; M366-Y370 WeakPolarHBondContact O-CB 3.33Å; M366-Y370 PolarHBondContact O-N 3.46Å; I368-Y370 VanDerWaalsContact C-N 3.28Å; I368-Y370 PolarHBondContact O-N 3.28Å; Y370-F372 VanDerWaalsContact C-N 3.29Å; Y370-F372 PolarHBondContact O-N 2.87Å; Y370-A373 WeakPolarHBondContact O-CB 3.35Å; Y370-A373 PolarHBondContact O-N 3.45Å; Y370-A373 VanDerWaalsContact O-N 3.16Å; Y370-I374 HydrophobicContact CD1-CD1 4.41Å; Y370-I374 HydrophobicContact CD2-CD1 4.43Å; Y370-I374 HydrophobicContact CD2-CG1 4.39Å; Y370-I374 HydrophobicContact CE1-CD1 3.53Å; Y370-I374 HydrophobicContact CE1-CG1 4.18Å; Y370-I374 HydrophobicContact CE2-CD1 3.56Å; Y370-I374 HydrophobicContact CE2-CG1 3.91Å; Y370-I374 PolarHBondContact O-N 2.95Å; Y370-I374 WeakPolarHBondContact OH-CD1 3.45Å; Y370-I391 WeakPolarHBondContact OH-CG2 3.49Å; Y370-W392 AromaticContact CD1-CE3 3.67Å; Y370-W392 HydrophobicContact CD1-CE3 3.67Å; Y370-W392 AromaticContact CD1-CZ3 3.76Å; Y370-W392 HydrophobicContact CD1-CZ3 3.76Å; Y370-W392 HydrophobicContact CE1-CD2 4.44Å; Y370-W392 AromaticContact CE1-CE3 3.42Å; Y370-W392 HydrophobicContact CE1-CE3 3.42Å; Y370-W392 VanDerWaalsContact CE1-CE3 3.42Å; Y370-W392 HydrophobicContact CE1-CZ3 4.01Å; Y370-W392 HydrophobicContact CG-CE3 4.47Å; Y370-W392 HydrophobicContact CG-CZ3 4.29Å; Y370-W392 PolarHBondContact OH-N 2.66Å; Y370-L395 HydrophobicContact CD2-CD1 4.29Å; Y370-L395 HydrophobicContact CE2-CD1 3.57Å
371C92.7Very high88Confident1 Ų116.6 Ų16.61%0.0078%0.084CC..Hα-helixtrans-59.1-39.7174.3-700000112I289 I293 A367 I368 C369 S375I289-C371 HydrophobicContact CB-CB 4.32Å; I289-C371 HydrophobicContact CG2-CB 3.66Å; I293-C371 HydrophobicContact CD1-CB 4.34Å; A367-C371 PolarHBondContact O-N 2.85Å; A367-C371 PolarHBondContact O-SG 3.14Å; I368-C371 WeakPolarHBondContact O-CB 3.27Å; I368-C371 PolarHBondContact O-N 3.38Å; I368-C371 VanDerWaalsContact O-N 3.08Å; C369-C371 PolarHBondContact O-N 3.33Å; C371-S375 WeakPolarHBondContact O-CB 3.3Å; C371-S375 PolarHBondContact O-N 2.86Å; C371-S375 PolarHBondContact O-OG 3.09Å
372F92.3Very high86.4Confident26 Ų2615.8 Ų15.811%0.1148%0.083CC..Hα-helixtrans-64.8-44.8173.8-78.3-70.8000112.1I293 A316 H319 F320 I368 C369 Y370 S375 S376 A477I293-F372 HydrophobicContact CD1-CD1 3.73Å; I293-F372 HydrophobicContact CD1-CD2 4.45Å; I293-F372 HydrophobicContact CD1-CE1 3.71Å; I293-F372 HydrophobicContact CD1-CE2 4.43Å; I293-F372 HydrophobicContact CD1-CG 4.11Å; I293-F372 HydrophobicContact CD1-CZ 4.08Å; I293-F372 HydrophobicContact CG1-CD1 4.45Å; I293-F372 HydrophobicContact CG1-CE1 4.11Å; I293-F372 HydrophobicContact CG2-CD1 4.27Å; I293-F372 HydrophobicContact CG2-CE1 4.37Å; A316-F372 HydrophobicContact CB-CE1 4.49Å; A316-F372 WeakPolarHBondContact O-CZ 3.33Å; H319-F372 HydrophobicContact CB-CE1 4.27Å; H319-F372 HydrophobicContact CB-CZ 3.79Å; F320-F372 HydrophobicContact CB-CE2 3.98Å; F320-F372 HydrophobicContact CB-CZ 4.34Å; F320-F372 HydrophobicContact CD2-CE2 4.2Å; I368-F372 HydrophobicContact CG2-CD2 4Å; I368-F372 HydrophobicContact CG2-CE2 3.67Å; I368-F372 VanDerWaalsContact O-CD2 3.27Å; I368-F372 WeakPolarHBondContact O-CD2 3.47Å; I368-F372 PolarHBondContact O-N 3.17Å; C369-F372 WeakPolarHBondContact O-CB 3.38Å; C369-F372 PolarHBondContact O-N 2.81Å; C369-F372 VanDerWaalsContact O-N 3.16Å; Y370-F372 VanDerWaalsContact C-N 3.29Å; Y370-F372 PolarHBondContact O-N 2.87Å; F372-S375 PolarHBondContact O-N 3.4Å; F372-S376 PolarHBondContact O-N 3.29Å; F372-A477 HydrophobicContact CB-CB 4.09Å
373A90.7Very high85.1Confident3 Ų319.3 Ų19.33%0.02510%0.104CC..Hα-helixtrans-56.4-53.6177.900000111.3C369 Y370 S376 F377 C473 L476C369-A373 PolarHBondContact O-N 2.93Å; Y370-A373 WeakPolarHBondContact O-CB 3.35Å; Y370-A373 PolarHBondContact O-N 3.45Å; Y370-A373 VanDerWaalsContact O-N 3.16Å; A373-S376 WeakPolarHBondContact O-CB 3.29Å; A373-S376 PolarHBondContact O-N 3.44Å; A373-S376 PolarHBondContact O-OG 2.9Å; A373-F377 VanDerWaalsContact O-CD2 3.25Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 WeakPolarHBondContact O-CE2 3.48Å; A373-C473 HydrophobicContact CB-CB 3.88Å; A373-C473 WeakPolarHBondContact CB-O 3.41Å; A373-L476 HydrophobicContact CB-CD2 3.93Å
374I89.3Confident84.2Confident14 Ų1419.3 Ų19.37%0.07210%0.104CC..Hα-helixtrans-63.9-46.4177.5-70.3-159.4000111.5Y370 S376 F377 F378 V384 A388 I391Y370-I374 HydrophobicContact CD1-CD1 4.41Å; Y370-I374 HydrophobicContact CD2-CD1 4.43Å; Y370-I374 HydrophobicContact CD2-CG1 4.39Å; Y370-I374 HydrophobicContact CE1-CD1 3.53Å; Y370-I374 HydrophobicContact CE1-CG1 4.18Å; Y370-I374 HydrophobicContact CE2-CD1 3.56Å; Y370-I374 HydrophobicContact CE2-CG1 3.91Å; Y370-I374 PolarHBondContact O-N 2.95Å; Y370-I374 WeakPolarHBondContact OH-CD1 3.45Å; I374-S376 PolarHBondContact O-N 3.42Å; I374-F377 PolarHBondContact O-N 2.96Å; I374-F378 HydrophobicContact CG2-CD2 4.04Å; I374-F378 HydrophobicContact CG2-CE2 3.83Å; I374-F378 VanDerWaalsContact O-CD2 3.27Å; I374-F378 WeakPolarHBondContact O-CD2 3.4Å; I374-V384 HydrophobicContact CG2-CG2 3.76Å; I374-A388 HydrophobicContact CG2-CB 4.18Å; I374-I391 HydrophobicContact CD1-CB 4.15Å; I374-I391 HydrophobicContact CD1-CD1 4.06Å; I374-I391 HydrophobicContact CD1-CG2 4.05Å
375S88.5Confident82.9Confident0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-61.8-16.6-179.2-61.90000113.7S290 K297 C371 F372 F377S290-S375 WeakPolarHBondContact CA-OG 3.47Å; S290-S375 PolarHBondContact O-OG 3.1Å; K297-S375 PolarHBondContact NZ-O 3.02Å; C371-S375 WeakPolarHBondContact O-CB 3.3Å; C371-S375 PolarHBondContact O-N 2.86Å; C371-S375 PolarHBondContact O-OG 3.09Å; F372-S375 PolarHBondContact O-N 3.4Å; S375-F377 VanDerWaalsContact C-N 3.33Å
376S84.9Confident81.6Confident1 Ų119 Ų191%0.00710%0.103CC..Hα-helixtrans-68.7-30.8173.8790000112.5F372 A373 I374 V480 R484F372-S376 PolarHBondContact O-N 3.29Å; A373-S376 WeakPolarHBondContact O-CB 3.29Å; A373-S376 PolarHBondContact O-N 3.44Å; A373-S376 PolarHBondContact O-OG 2.9Å; I374-S376 PolarHBondContact O-N 3.42Å; S376-V480 WeakPolarHBondContact O-CG1 3.34Å; S376-V480 WeakPolarHBondContact OG-CB 3.32Å; S376-V480 WeakPolarHBondContact OG-CG1 3.42Å; S376-R484 PolarHBondContact O-NH1 2.74Å
377F82.1Confident80.7Confident78 Ų7820.8 Ų20.834%0.34211%0.114SC..Hα-helixtrans-82.7-20-177.5-65.2-81.4000114.1A373 I374 S375 L476 V480 R484A373-F377 VanDerWaalsContact O-CD2 3.25Å; A373-F377 WeakPolarHBondContact O-CD2 3.43Å; A373-F377 WeakPolarHBondContact O-CE2 3.48Å; I374-F377 PolarHBondContact O-N 2.96Å; S375-F377 VanDerWaalsContact C-N 3.33Å; F377-L476 HydrophobicContact CE2-CD2 3.59Å; F377-L476 HydrophobicContact CE2-CG 4.28Å; F377-L476 HydrophobicContact CZ-CD1 4.46Å; F377-L476 HydrophobicContact CZ-CD2 3.88Å; F377-L476 HydrophobicContact CZ-CG 4.2Å; F377-V480 HydrophobicContact CD1-CG1 4.21Å; F377-V480 HydrophobicContact CD1-CG2 4.4Å; F377-V480 HydrophobicContact CE1-CG1 4.3Å; F377-V480 HydrophobicContact CE1-CG2 3.7Å; F377-V480 HydrophobicContact CE2-CG2 4.28Å; F377-V480 HydrophobicContact CZ-CG2 3.63Å; F377-R484 PolarHBondContact O-NH1 3.28Å; F377-R484 PolarHBondContact O-NH2 2.95Å
378F78.5Confident80.2Confident18 Ų1820.8 Ų20.88%0.07911%0.114CC..  trans-110.3151.6-173.5-61.7-86.6000112.7I374 V383 V384 C387 R484 F1515I374-F378 HydrophobicContact CG2-CD2 4.04Å; I374-F378 HydrophobicContact CG2-CE2 3.83Å; I374-F378 VanDerWaalsContact O-CD2 3.27Å; I374-F378 WeakPolarHBondContact O-CD2 3.4Å; F378-V383 HydrophobicContact CD1-CB 4.33Å; F378-V383 HydrophobicContact CD1-CG1 3.72Å; F378-V383 HydrophobicContact CE1-CG1 3.87Å; F378-V384 HydrophobicContact CB-CB 3.74Å; F378-V384 HydrophobicContact CB-CG2 3.88Å; F378-V384 HydrophobicContact CD2-CB 4.13Å; F378-V384 HydrophobicContact CD2-CG2 3.51Å; F378-V384 HydrophobicContact CE2-CG2 4.28Å; F378-V384 HydrophobicContact CG-CB 3.93Å; F378-V384 HydrophobicContact CG-CG2 3.84Å; F378-C387 HydrophobicContact CE1-CB 4.09Å; F378-C387 HydrophobicContact CE2-CB 4.32Å; F378-C387 HydrophobicContact CZ-CB 3.69Å; F378-R484 PolarHBondContact O-NH1 3.22Å; F378-F1515 HydrophobicContact CZ-CD2 4.46Å
379N70.3Confident79.4Confident69 Ų6921 Ų2137%0.36912%0.117SC..SBendtrans-115.3-13.3179.5-79.9-17.4000113.5R484N379-R484 VanDerWaalsContact OD1-CZ 3.25Å; N379-R484 PolarHBondContact OD1-NH1 3.15Å
380S70.4Confident78.6Confident29 Ų2921.8 Ų21.820%0.20312%0.121CC..  trans-117.2128.2176.7-178.70000108.4E298 N382 V383 V384E298-S380 PolarHBondContact OE1-OG 2.95Å; S380-N382 PolarHBondContact O-N 3.39Å; S380-N382 WeakPolarHBondContact OG-CB 3.48Å; S380-V383 PolarHBondContact O-N 2.93Å; S380-V384 PolarHBondContact O-N 2.85Å
381G62.7Low78.3Confident1 Ų124 Ų241%0.0113%0.133CC..Hα-helixtrans-61.3-18.1179.800000112.4V294 E298 V384 A385V294-G381 VanDerWaalsContact CG1-N 3.33Å; E298-G381 PolarHBondContact OE2-N 3.49Å; G381-V384 WeakPolarHBondContact O-CG1 3.32Å; G381-A385 WeakPolarHBondContact O-CB 3.49Å; G381-A385 PolarHBondContact O-N 2.78Å
382N62.7Low78Confident49 Ų4924 Ų2426%0.26213%0.133SC..Hα-helixtrans-78.8-48.7-177.7-62.5-21.6000112.7S380 V384 G386 A1195S380-N382 PolarHBondContact O-N 3.39Å; S380-N382 WeakPolarHBondContact OG-CB 3.48Å; N382-V384 VanDerWaalsContact C-N 3.35Å; N382-G386 PolarHBondContact O-N 3.38Å; N382-A1195 HydrophobicContact CB-CB 3.14Å; N382-A1195 VanDerWaalsContact ND2-CB 3.3Å; N382-A1195 WeakPolarHBondContact ND2-CB 3.32Å; N382-A1195 WeakPolarHBondContact OD1-CB 3.2Å
383V67.3Low77.5Confident76 Ų7623 Ų2346%0.46113%0.13SC..Hα-helixtrans-68.3-40.2178.8-179.50000109.8F378 S380 A385 G386 C387F378-V383 HydrophobicContact CD1-CB 4.33Å; F378-V383 HydrophobicContact CD1-CG1 3.72Å; F378-V383 HydrophobicContact CE1-CG1 3.87Å; S380-V383 PolarHBondContact O-N 2.93Å; V383-A385 PolarHBondContact O-N 2.84Å; V383-G386 PolarHBondContact O-N 2.86Å; V383-C387 PolarHBondContact O-N 2.7Å; V383-C387 PolarHBondContact O-SG 2.66Å
384V76.8Confident77.2Confident0 Ų024.4 Ų24.40%014%0.139CC..Hα-helixtrans-64.5-40.5179.284.90000111.5V294 I374 F378 S380 G381 N382 G386 C387 A388V294-V384 HydrophobicContact CB-CG1 3.95Å; V294-V384 HydrophobicContact CG2-CB 4.11Å; V294-V384 HydrophobicContact CG2-CG1 3.74Å; V294-V384 HydrophobicContact CG2-CG2 4.17Å; I374-V384 HydrophobicContact CG2-CG2 3.76Å; F378-V384 HydrophobicContact CB-CB 3.74Å; F378-V384 HydrophobicContact CB-CG2 3.88Å; F378-V384 HydrophobicContact CD2-CB 4.13Å; F378-V384 HydrophobicContact CD2-CG2 3.51Å; F378-V384 HydrophobicContact CE2-CG2 4.28Å; F378-V384 HydrophobicContact CG-CB 3.93Å; F378-V384 HydrophobicContact CG-CG2 3.84Å; S380-V384 PolarHBondContact O-N 2.85Å; G381-V384 WeakPolarHBondContact O-CG1 3.32Å; N382-V384 VanDerWaalsContact C-N 3.35Å; V384-G386 VanDerWaalsContact C-N 3.28Å; V384-G386 PolarHBondContact O-N 2.88Å; V384-C387 PolarHBondContact O-N 2.85Å; V384-A388 WeakPolarHBondContact O-CA 3.42Å; V384-A388 WeakPolarHBondContact O-CB 3.19Å; V384-A388 PolarHBondContact O-N 2.81Å
385A68.1Low77.2Confident3 Ų324.8 Ų24.83%0.02514%0.141CC..Hα-helixtrans-62.2-38.2-178.600000112.2V287 R291 G381 V383 G389 V1199V287-A385 HydrophobicContact CG1-CB 3.85Å; V287-A385 WeakPolarHBondContact CG1-O 3.44Å; R291-A385 HydrophobicContact CB-CB 4.22Å; G381-A385 WeakPolarHBondContact O-CB 3.49Å; G381-A385 PolarHBondContact O-N 2.78Å; V383-A385 PolarHBondContact O-N 2.84Å; A385-G389 PolarHBondContact O-N 2.82Å; A385-V1199 HydrophobicContact CB-CB 4.34Å; A385-V1199 HydrophobicContact CB-CG1 4.1Å; A385-V1199 HydrophobicContact CB-CG2 3.26Å
386G67.2Low77.2Confident7 Ų725 Ų257%0.07214%0.142CC..Hα-helixtrans-68-49.417300000113.5N382 V383 V384 L390N382-G386 PolarHBondContact O-N 3.38Å; V383-G386 PolarHBondContact O-N 2.86Å; V384-G386 VanDerWaalsContact C-N 3.28Å; V384-G386 PolarHBondContact O-N 2.88Å; G386-L390 PolarHBondContact O-N 2.69Å
387C75.9Confident77.2Confident37 Ų3726.7 Ų26.725%0.2515%0.148CC..Hα-helixtrans-70.6-38.5-177-60.30000112.3F378 V383 V384 G389 L390 I391F378-C387 HydrophobicContact CE1-CB 4.09Å; F378-C387 HydrophobicContact CE2-CB 4.32Å; F378-C387 HydrophobicContact CZ-CB 3.69Å; V383-C387 PolarHBondContact O-N 2.7Å; V383-C387 PolarHBondContact O-SG 2.66Å; V384-C387 PolarHBondContact O-N 2.85Å; C387-G389 PolarHBondContact O-N 2.85Å; C387-L390 PolarHBondContact O-N 2.72Å; C387-I391 HydrophobicContact CB-CD1 4.34Å; C387-I391 WeakPolarHBondContact O-CB 3.35Å; C387-I391 WeakPolarHBondContact O-CD1 3.17Å; C387-I391 WeakPolarHBondContact O-CG1 3.25Å; C387-I391 PolarHBondContact O-N 3.03Å
388A82.8Confident77.4Confident0 Ų024.7 Ų24.70%014%0.143CC..Hα-helixtrans-62.9-42.5179.700000111.1S290 I374 V384 W392S290-A388 WeakPolarHBondContact OG-CB 3.41Å; I374-A388 HydrophobicContact CG2-CB 4.18Å; V384-A388 WeakPolarHBondContact O-CA 3.42Å; V384-A388 WeakPolarHBondContact O-CB 3.19Å; V384-A388 PolarHBondContact O-N 2.81Å; A388-W392 WeakPolarHBondContact O-CB 3.4Å; A388-W392 PolarHBondContact O-N 2.82Å
389G76.9Confident77.8Confident6 Ų624 Ų246%0.06214%0.14CC..Hα-helixtrans-64.3-44.8175.400000112.8A385 C387 C393A385-G389 PolarHBondContact O-N 2.82Å; C387-G389 PolarHBondContact O-N 2.85Å; G389-C393 PolarHBondContact O-N 2.63Å; G389-C393 PolarHBondContact O-SG 2.97Å
390L78.4Confident78.2Confident20 Ų2021.8 Ų21.811%0.10513%0.127CC..Hα-helixtrans-59.9-56.2175.1-78.3170.3000112G386 C387 W392 C393 C394 V917 F921 F1094 F1098G386-L390 PolarHBondContact O-N 2.69Å; C387-L390 PolarHBondContact O-N 2.72Å; L390-W392 VanDerWaalsContact C-N 3.3Å; L390-W392 PolarHBondContact O-N 3.02Å; L390-C393 PolarHBondContact O-N 3.15Å; L390-C394 PolarHBondContact O-N 3.2Å; L390-C394 PolarHBondContact O-SG 2.88Å; L390-V917 HydrophobicContact CD1-CG2 4.41Å; L390-V917 HydrophobicContact CD2-CG1 3.85Å; L390-F921 HydrophobicContact CD2-CE2 4.31Å; L390-F1094 HydrophobicContact CD2-CE1 4.09Å; L390-F1098 HydrophobicContact CD1-CD1 4.14Å; L390-F1098 HydrophobicContact CD1-CG 4.4Å; L390-F1098 HydrophobicContact CD2-CB 4.15Å; L390-F1098 HydrophobicContact CD2-CD1 3.67Å; L390-F1098 HydrophobicContact CD2-CD2 3.32Å; L390-F1098 HydrophobicContact CD2-CE1 3.81Å; L390-F1098 HydrophobicContact CD2-CE2 3.52Å; L390-F1098 HydrophobicContact CD2-CG 3.41Å; L390-F1098 VanDerWaalsContact CD2-CG 3.41Å; L390-F1098 HydrophobicContact CD2-CZ 3.73Å; L390-F1098 HydrophobicContact CG-CD1 3.63Å; L390-F1098 HydrophobicContact CG-CD2 4.21Å; L390-F1098 HydrophobicContact CG-CE1 3.62Å; L390-F1098 HydrophobicContact CG-CE2 4.24Å; L390-F1098 HydrophobicContact CG-CG 3.92Å; L390-F1098 HydrophobicContact CG-CZ 3.93Å
391I85.4Confident78.6Confident66 Ų6623.2 Ų23.234%0.33813%0.129SC..Hα-helixtrans-61.8-42.6-177.1-61.2164.2000109.5Y370 I374 C387 C393 C394 L395Y370-I391 WeakPolarHBondContact OH-CG2 3.49Å; I374-I391 HydrophobicContact CD1-CB 4.15Å; I374-I391 HydrophobicContact CD1-CD1 4.06Å; I374-I391 HydrophobicContact CD1-CG2 4.05Å; C387-I391 HydrophobicContact CB-CD1 4.34Å; C387-I391 WeakPolarHBondContact O-CB 3.35Å; C387-I391 WeakPolarHBondContact O-CD1 3.17Å; C387-I391 WeakPolarHBondContact O-CG1 3.25Å; C387-I391 PolarHBondContact O-N 3.03Å; I391-C393 VanDerWaalsContact C-N 3.34Å; I391-C393 PolarHBondContact O-N 2.88Å; I391-C394 WeakPolarHBondContact O-CB 3.36Å; I391-C394 PolarHBondContact O-N 3.02Å; I391-C394 VanDerWaalsContact O-N 3.09Å; I391-L395 WeakPolarHBondContact O-CG 3.48Å; I391-L395 PolarHBondContact O-N 3.29Å
392W87.5Confident79.3Confident0 Ų023.8 Ų23.80%013%0.132CC..Hα-helixtrans-51.3-54176-177.8-106.9000110.8V286 Y363 A367 Y370 A388 L390 C394 L395 A421 N422V286-W392 HydrophobicContact CB-CD2 4.35Å; V286-W392 HydrophobicContact CG1-CB 4.36Å; V286-W392 HydrophobicContact CG1-CD2 4.05Å; V286-W392 HydrophobicContact CG1-CE3 4.09Å; V286-W392 HydrophobicContact CG1-CG 4.23Å; V286-W392 HydrophobicContact CG2-CD2 3.95Å; V286-W392 HydrophobicContact CG2-CE3 4.1Å; V286-W392 HydrophobicContact CG2-CH2 3.91Å; V286-W392 HydrophobicContact CG2-CZ2 3.74Å; V286-W392 HydrophobicContact CG2-CZ3 4.09Å; Y363-W392 HydrophobicContact CE2-CH2 4.15Å; Y363-W392 HydrophobicContact CE2-CZ2 4.48Å; Y363-W392 AromaticContact CZ-CH2 3.94Å; Y363-W392 AromaticContact CZ-CZ2 3.85Å; Y363-W392 WeakPolarHBondContact OH-CZ2 3.03Å; A367-W392 HydrophobicContact CB-CH2 3.68Å; A367-W392 HydrophobicContact CB-CZ3 4.26Å; Y370-W392 AromaticContact CD1-CE3 3.67Å; Y370-W392 HydrophobicContact CD1-CE3 3.67Å; Y370-W392 AromaticContact CD1-CZ3 3.76Å; Y370-W392 HydrophobicContact CD1-CZ3 3.76Å; Y370-W392 HydrophobicContact CE1-CD2 4.44Å; Y370-W392 AromaticContact CE1-CE3 3.42Å; Y370-W392 HydrophobicContact CE1-CE3 3.42Å; Y370-W392 VanDerWaalsContact CE1-CE3 3.42Å; Y370-W392 HydrophobicContact CE1-CZ3 4.01Å; Y370-W392 HydrophobicContact CG-CE3 4.47Å; Y370-W392 HydrophobicContact CG-CZ3 4.29Å; Y370-W392 PolarHBondContact OH-N 2.66Å; A388-W392 WeakPolarHBondContact O-CB 3.4Å; A388-W392 PolarHBondContact O-N 2.82Å; L390-W392 VanDerWaalsContact C-N 3.3Å; L390-W392 PolarHBondContact O-N 3.02Å; W392-C394 PolarHBondContact O-N 2.98Å; W392-L395 HydrophobicContact CE3-CD1 4.27Å; W392-L395 VanDerWaalsContact O-CB 3.29Å; W392-L395 WeakPolarHBondContact O-CB 3.32Å; W392-L395 PolarHBondContact O-N 3.12Å; W392-L395 VanDerWaalsContact O-N 3.09Å; W392-A421 HydrophobicContact CZ3-CB 4.17Å; W392-N422 VanDerWaalsContact CD2-ND2 3.31Å; W392-N422 WeakPolarHBondContact CZ2-OD1 3.27Å; W392-N422 PolarHBondContact O-ND2 3.09Å
393C81.6Confident80Confident7 Ų722.9 Ų22.95%0.04713%0.126CC..Hα-helixtrans-68.1-32179.2-630000113.7G389 L390 I391 L395 Y396 F1094G389-C393 PolarHBondContact O-N 2.63Å; G389-C393 PolarHBondContact O-SG 2.97Å; L390-C393 PolarHBondContact O-N 3.15Å; I391-C393 VanDerWaalsContact C-N 3.34Å; I391-C393 PolarHBondContact O-N 2.88Å; C393-L395 PolarHBondContact O-N 2.9Å; C393-Y396 WeakPolarHBondContact O-CB 3.34Å; C393-Y396 PolarHBondContact O-N 3.5Å; C393-F1094 HydrophobicContact CB-CD2 4.39Å; C393-F1094 HydrophobicContact CB-CE1 4.02Å; C393-F1094 HydrophobicContact CB-CE2 3.25Å; C393-F1094 HydrophobicContact CB-CZ 3.04Å; C393-F1094 WeakPolarHBondContact SG-CE2 3.25Å; C393-F1094 WeakPolarHBondContact SG-CZ 3.15Å
394C84.1Confident80.1Confident31 Ų3121 Ų2121%0.20912%0.115CC..Hα-helixtrans-60.5-28171.9-670000112.8L390 I391 W392 Y396 W397L390-C394 PolarHBondContact O-N 3.2Å; L390-C394 PolarHBondContact O-SG 2.88Å; I391-C394 WeakPolarHBondContact O-CB 3.36Å; I391-C394 PolarHBondContact O-N 3.02Å; I391-C394 VanDerWaalsContact O-N 3.09Å; W392-C394 PolarHBondContact O-N 2.98Å; C394-Y396 PolarHBondContact O-N 2.87Å; C394-Y396 VanDerWaalsContact O-N 3.13Å; C394-W397 HydrophobicContact CB-CD2 4.25Å; C394-W397 HydrophobicContact CB-CE3 3.82Å; C394-W397 HydrophobicContact CB-CH2 4.35Å; C394-W397 HydrophobicContact CB-CZ3 3.87Å; C394-W397 PolarHBondContact O-N 2.94Å; C394-W397 VanDerWaalsContact O-N 3.11Å; C394-W397 WeakPolarHBondContact SG-CH2 3.33Å; C394-W397 VanDerWaalsContact SG-CZ3 3.53Å
395L89.9Confident79.6Confident22 Ų2224.9 Ų24.912%0.11513%0.13CC..THydrogen-bonded Turntrans-65-11.9174-58.2176000113.3Y370 I391 W392 C393 L420 A421 N422 S423Y370-L395 HydrophobicContact CD2-CD1 4.29Å; Y370-L395 HydrophobicContact CE2-CD1 3.57Å; I391-L395 WeakPolarHBondContact O-CG 3.48Å; I391-L395 PolarHBondContact O-N 3.29Å; W392-L395 HydrophobicContact CE3-CD1 4.27Å; W392-L395 VanDerWaalsContact O-CB 3.29Å; W392-L395 WeakPolarHBondContact O-CB 3.32Å; W392-L395 PolarHBondContact O-N 3.12Å; W392-L395 VanDerWaalsContact O-N 3.09Å; C393-L395 PolarHBondContact O-N 2.9Å; L395-L420 HydrophobicContact CB-CB 4.38Å; L395-L420 HydrophobicContact CD2-CB 4.23Å; L395-L420 HydrophobicContact CD2-CD2 3.61Å; L395-L420 HydrophobicContact CD2-CG 4.44Å; L395-A421 HydrophobicContact CD1-CB 3.98Å; L395-N422 HydrophobicContact CB-CB 3.98Å; L395-S423 PolarHBondContact O-N 2.65Å; L395-S423 PolarHBondContact O-OG 3.35Å
396Y88.5Confident79.9Confident6 Ų624.8 Ų24.82%0.02413%0.129CC..THydrogen-bonded Turntrans-87-20175-174.9-107.8000112.8P275 V276 L279 C393 C394 Y399 F400 S426P275-Y396 HydrophobicContact CB-CE2 4.08Å; V276-Y396 HydrophobicContact CG2-CE1 4.04Å; V276-Y396 VanDerWaalsContact CG2-OH 3.23Å; V276-Y396 WeakPolarHBondContact CG2-OH 3.36Å; L279-Y396 HydrophobicContact CD2-CD1 3.99Å; L279-Y396 HydrophobicContact CD2-CD2 4.08Å; L279-Y396 HydrophobicContact CD2-CG 3.71Å; C393-Y396 WeakPolarHBondContact O-CB 3.34Å; C393-Y396 PolarHBondContact O-N 3.5Å; C394-Y396 PolarHBondContact O-N 2.87Å; C394-Y396 VanDerWaalsContact O-N 3.13Å; Y396-Y399 HydrophobicContact CD2-CD1 4.39Å; Y396-Y399 HydrophobicContact CE1-CD1 4.39Å; Y396-Y399 AromaticContact CE2-CD1 3.61Å; Y396-Y399 HydrophobicContact CE2-CD1 3.61Å; Y396-Y399 HydrophobicContact CE2-CE1 4.15Å; Y396-Y399 HydrophobicContact CE2-CG 4.28Å; Y396-Y399 AromaticContact CZ-CD1 3.58Å; Y396-Y399 AromaticContact CZ-CE1 3.99Å; Y396-Y399 WeakPolarHBondContact O-CB 3.23Å; Y396-Y399 PolarHBondContact O-N 3.5Å; Y396-Y399 WeakPolarHBondContact OH-CD1 3.43Å; Y396-Y399 WeakPolarHBondContact OH-CE1 3.26Å; Y396-F400 AromaticContact CD1-CD2 3.65Å; Y396-F400 HydrophobicContact CD1-CD2 3.65Å; Y396-F400 AromaticContact CD1-CE2 3.4Å; Y396-F400 HydrophobicContact CD1-CE2 3.4Å; Y396-F400 HydrophobicContact CD1-CZ 4.18Å; Y396-F400 AromaticContact CE1-CD2 3.61Å; Y396-F400 HydrophobicContact CE1-CD2 3.61Å; Y396-F400 HydrophobicContact CE1-CE1 4.17Å; Y396-F400 AromaticContact CE1-CE2 3.2Å; Y396-F400 HydrophobicContact CE1-CE2 3.2Å; Y396-F400 HydrophobicContact CE1-CG 4.28Å; Y396-F400 AromaticContact CE1-CZ 3.52Å; Y396-F400 HydrophobicContact CE1-CZ 3.52Å; Y396-S426 VanDerWaalsContact CD2-OG 3.25Å; Y396-S426 WeakPolarHBondContact CD2-OG 3.35Å; Y396-S426 WeakPolarHBondContact CE2-OG 3.39Å
397W84.7Confident79.9Confident36 Ų3627.2 Ų27.214%0.13615%0.145CC..Hα-helixtrans-58.6-43-175.2-72.3-32.7000115.1C394 Y399 F400 F401 L920 F921 V924 N1091C394-W397 HydrophobicContact CB-CD2 4.25Å; C394-W397 HydrophobicContact CB-CE3 3.82Å; C394-W397 HydrophobicContact CB-CH2 4.35Å; C394-W397 HydrophobicContact CB-CZ3 3.87Å; C394-W397 PolarHBondContact O-N 2.94Å; C394-W397 VanDerWaalsContact O-N 3.11Å; C394-W397 WeakPolarHBondContact SG-CH2 3.33Å; C394-W397 VanDerWaalsContact SG-CZ3 3.53Å; W397-Y399 PolarHBondContact O-N 3.31Å; W397-Y399 VanDerWaalsContact O-N 3.16Å; W397-F400 WeakPolarHBondContact O-CA 3.38Å; W397-F400 VanDerWaalsContact O-CB 3.32Å; W397-F400 WeakPolarHBondContact O-CB 3.41Å; W397-F400 PolarHBondContact O-N 2.88Å; W397-F401 WeakPolarHBondContact O-CD2 3.46Å; W397-F401 PolarHBondContact O-N 3.35Å; W397-L920 HydrophobicContact CH2-CD2 3.92Å; W397-L920 HydrophobicContact CH2-CG 4.02Å; W397-L920 HydrophobicContact CZ3-CD2 4.49Å; W397-F921 AromaticContact CE2-CD1 3.91Å; W397-F921 AromaticContact CE2-CE1 3.61Å; W397-F921 HydrophobicContact CH2-CD2 4.25Å; W397-F921 HydrophobicContact CH2-CE1 4.29Å; W397-F921 HydrophobicContact CH2-CE2 4.01Å; W397-F921 HydrophobicContact CH2-CZ 4.01Å; W397-F921 AromaticContact CZ2-CD1 3.42Å; W397-F921 HydrophobicContact CZ2-CD1 3.42Å; W397-F921 VanDerWaalsContact CZ2-CD1 3.42Å; W397-F921 AromaticContact CZ2-CD2 3.79Å; W397-F921 HydrophobicContact CZ2-CD2 3.79Å; W397-F921 AromaticContact CZ2-CE1 3.25Å; W397-F921 HydrophobicContact CZ2-CE1 3.25Å; W397-F921 AromaticContact CZ2-CE2 3.68Å; W397-F921 HydrophobicContact CZ2-CE2 3.68Å; W397-F921 AromaticContact CZ2-CG 3.68Å; W397-F921 HydrophobicContact CZ2-CG 3.68Å; W397-F921 AromaticContact CZ2-CZ 3.39Å; W397-F921 HydrophobicContact CZ2-CZ 3.39Å; W397-F921 AromaticContact NE1-CD1 3.81Å; W397-F921 AromaticContact NE1-CE1 3.6Å; W397-V924 HydrophobicContact CB-CG1 4.44Å; W397-V924 HydrophobicContact CD2-CG1 3.83Å; W397-V924 HydrophobicContact CD2-CG2 4.5Å; W397-V924 HydrophobicContact CE3-CG1 4.31Å; W397-V924 HydrophobicContact CE3-CG2 4.3Å; W397-V924 HydrophobicContact CG-CG1 3.92Å; W397-V924 HydrophobicContact CH2-CG2 3.95Å; W397-V924 HydrophobicContact CZ2-CB 4.25Å; W397-V924 HydrophobicContact CZ2-CG1 4.32Å; W397-V924 HydrophobicContact CZ2-CG2 4.13Å; W397-V924 HydrophobicContact CZ3-CG2 4.04Å; W397-N1091 PolarHBondContact NE1-OD1 3.09Å
398P86.2Confident79.4Confident35 Ų3529.3 Ų29.323%0.22716%0.16CC..Hα-helixtrans-61.4-28.1-179.1-31.944.9000113.2F401 I402 T417 L420P398-F401 PolarHBondContact O-N 3.17Å; P398-I402 WeakPolarHBondContact O-CG1 3.22Å; P398-I402 PolarHBondContact O-N 3.15Å; P398-T417 HydrophobicContact CB-CG2 3.37Å; P398-T417 HydrophobicContact CG-CG2 4.43Å; P398-L420 HydrophobicContact CB-CD1 4.26Å; P398-L420 HydrophobicContact CG-CD1 3.55Å
399Y86.5Confident79.1Confident5 Ų530.6 Ų30.62%0.0217%0.168CC..Hα-helixtrans-62.7-42.2169.6177-97.1000112.2Y396 W397 F401 I402 Q403 S426 F427Y396-Y399 HydrophobicContact CD2-CD1 4.39Å; Y396-Y399 HydrophobicContact CE1-CD1 4.39Å; Y396-Y399 AromaticContact CE2-CD1 3.61Å; Y396-Y399 HydrophobicContact CE2-CD1 3.61Å; Y396-Y399 HydrophobicContact CE2-CE1 4.15Å; Y396-Y399 HydrophobicContact CE2-CG 4.28Å; Y396-Y399 AromaticContact CZ-CD1 3.58Å; Y396-Y399 AromaticContact CZ-CE1 3.99Å; Y396-Y399 WeakPolarHBondContact O-CB 3.23Å; Y396-Y399 PolarHBondContact O-N 3.5Å; Y396-Y399 WeakPolarHBondContact OH-CD1 3.43Å; Y396-Y399 WeakPolarHBondContact OH-CE1 3.26Å; W397-Y399 PolarHBondContact O-N 3.31Å; W397-Y399 VanDerWaalsContact O-N 3.16Å; Y399-F401 VanDerWaalsContact C-N 3.26Å; Y399-F401 PolarHBondContact O-N 3.39Å; Y399-I402 PolarHBondContact O-N 3.39Å; Y399-Q403 HydrophobicContact CD1-CB 4.38Å; Y399-Q403 HydrophobicContact CE1-CB 4.02Å; Y399-Q403 HydrophobicContact CE1-CG 4.03Å; Y399-Q403 HydrophobicContact CE2-CB 4.19Å; Y399-Q403 HydrophobicContact CE2-CG 4.34Å; Y399-Q403 WeakPolarHBondContact O-CB 3.35Å; Y399-Q403 PolarHBondContact O-N 3.46Å; Y399-S426 VanDerWaalsContact CG-CB 3.47Å; Y399-F427 AromaticContact CD2-CD1 3.8Å; Y399-F427 HydrophobicContact CD2-CD1 3.8Å; Y399-F427 AromaticContact CD2-CE1 3.7Å; Y399-F427 HydrophobicContact CD2-CE1 3.7Å; Y399-F427 HydrophobicContact CD2-CG 4.46Å; Y399-F427 HydrophobicContact CD2-CZ 4.28Å; Y399-F427 AromaticContact CE2-CD1 3.97Å; Y399-F427 HydrophobicContact CE2-CD1 3.97Å; Y399-F427 HydrophobicContact CE2-CE1 4.17Å
400F79.1Confident79.3Confident21 Ų2138.9 Ų38.99%0.09220%0.199CC..Hα-helixtrans-59-35174.3-85.1-63.7000113.1Y396 W397 P404 V928 N1087 F1090Y396-F400 AromaticContact CD1-CD2 3.65Å; Y396-F400 HydrophobicContact CD1-CD2 3.65Å; Y396-F400 AromaticContact CD1-CE2 3.4Å; Y396-F400 HydrophobicContact CD1-CE2 3.4Å; Y396-F400 HydrophobicContact CD1-CZ 4.18Å; Y396-F400 AromaticContact CE1-CD2 3.61Å; Y396-F400 HydrophobicContact CE1-CD2 3.61Å; Y396-F400 HydrophobicContact CE1-CE1 4.17Å; Y396-F400 AromaticContact CE1-CE2 3.2Å; Y396-F400 HydrophobicContact CE1-CE2 3.2Å; Y396-F400 HydrophobicContact CE1-CG 4.28Å; Y396-F400 AromaticContact CE1-CZ 3.52Å; Y396-F400 HydrophobicContact CE1-CZ 3.52Å; W397-F400 WeakPolarHBondContact O-CA 3.38Å; W397-F400 VanDerWaalsContact O-CB 3.32Å; W397-F400 WeakPolarHBondContact O-CB 3.41Å; W397-F400 PolarHBondContact O-N 2.88Å; F400-P404 WeakPolarHBondContact O-CD 3.22Å; F400-V928 HydrophobicContact CB-CG1 4.32Å; F400-V928 HydrophobicContact CB-CG2 4.24Å; F400-N1087 WeakPolarHBondContact CD1-ND2 3.46Å; F400-F1090 HydrophobicContact CE2-CD1 4.25Å; F400-F1090 HydrophobicContact CE2-CE1 4.14Å; F400-F1090 HydrophobicContact CZ-CD1 4.01Å; F400-F1090 HydrophobicContact CZ-CE1 4.11Å
401F77.6Confident79.5Confident59 Ų5942.8 Ų42.826%0.25921%0.212SC..Hα-helixtrans-73.5-36.7176.7-75.6-85.5000112.8W397 P398 Y399 V924 L927 V928 T931W397-F401 WeakPolarHBondContact O-CD2 3.46Å; W397-F401 PolarHBondContact O-N 3.35Å; P398-F401 PolarHBondContact O-N 3.17Å; Y399-F401 VanDerWaalsContact C-N 3.26Å; Y399-F401 PolarHBondContact O-N 3.39Å; F401-V924 HydrophobicContact CE2-CG1 4.06Å; F401-V924 HydrophobicContact CZ-CG1 4.29Å; F401-L927 HydrophobicContact CE1-CB 4.28Å; F401-L927 HydrophobicContact CZ-CB 4.18Å; F401-V928 HydrophobicContact CD1-CB 4.31Å; F401-V928 HydrophobicContact CD1-CG2 3.84Å; F401-V928 HydrophobicContact CD2-CG2 3.65Å; F401-V928 VanDerWaalsContact CE1-CA 3.41Å; F401-V928 HydrophobicContact CE1-CB 4.06Å; F401-V928 HydrophobicContact CE1-CG2 3.55Å; F401-V928 HydrophobicContact CE2-CG2 3.32Å; F401-V928 HydrophobicContact CG-CG2 3.9Å; F401-V928 HydrophobicContact CZ-CB 4.2Å; F401-V928 HydrophobicContact CZ-CG2 3.27Å; F401-T931 HydrophobicContact CE1-CG2 4.43Å
402I79.2Confident79.5Confident14 Ų1442.9 Ų42.97%0.07222%0.219CC..Hα-helixtrans-88.5-33.3-172.9-66.3170.3000111.8P398 Y399 R405 Y406 V409 T417 F427P398-I402 WeakPolarHBondContact O-CG1 3.22Å; P398-I402 PolarHBondContact O-N 3.15Å; Y399-I402 PolarHBondContact O-N 3.39Å; I402-R405 CarbonylContact O-C 3.55Å; I402-R405 PolarHBondContact O-N 2.83Å; I402-Y406 HydrophobicContact CG2-CD2 4.13Å; I402-Y406 VanDerWaalsContact O-CA 3.27Å; I402-Y406 WeakPolarHBondContact O-CA 3.21Å; I402-Y406 PolarHBondContact O-N 2.92Å; I402-V409 HydrophobicContact CG2-CB 4.35Å; I402-V409 HydrophobicContact CG2-CG1 4.39Å; I402-V409 HydrophobicContact CG2-CG2 4.25Å; I402-T417 HydrophobicContact CD1-CG2 3.87Å; I402-T417 WeakPolarHBondContact CD1-OG1 3.34Å; I402-F427 HydrophobicContact CB-CE1 4.35Å; I402-F427 HydrophobicContact CB-CZ 4.12Å; I402-F427 HydrophobicContact CD1-CZ 3.99Å; I402-F427 HydrophobicContact CG2-CE1 3.82Å; I402-F427 HydrophobicContact CG2-CZ 3.82Å
403Q77.4Confident79.5Confident30 Ų3045.8 Ų45.814%0.1424%0.236CC..G310 helixtrans-55.8-45.8-174-177.6-79.8-11.900113.2Y399 R405 Y406Y399-Q403 HydrophobicContact CD1-CB 4.38Å; Y399-Q403 HydrophobicContact CE1-CB 4.02Å; Y399-Q403 HydrophobicContact CE1-CG 4.03Å; Y399-Q403 HydrophobicContact CE2-CB 4.19Å; Y399-Q403 HydrophobicContact CE2-CG 4.34Å; Y399-Q403 WeakPolarHBondContact O-CB 3.35Å; Y399-Q403 PolarHBondContact O-N 3.46Å; Q403-R405 PolarHBondContact O-N 3.31Å; Q403-Y406 WeakPolarHBondContact O-CB 3.48Å; Q403-Y406 PolarHBondContact O-N 3.03Å
404P67.5Low79.8Confident35 Ų3545.4 Ų45.423%0.22723%0.234CC..G310 helixtrans-67.9-24.6178.9-21.533.9000113F400 L932F400-P404 WeakPolarHBondContact O-CD 3.22Å; P404-L932 HydrophobicContact CB-CD2 3.56Å; P404-L932 HydrophobicContact CG-CD2 3.65Å
405R67.6Low80.1Confident82 Ų8246 Ų4631%0.30924%0.235SC..G310 helixtrans-110.821.2-177.1-81.8-174.2-73.5173.6-0.7112.7I402 Q403 S407 S408 V409 T931 P933I402-R405 CarbonylContact O-C 3.55Å; I402-R405 PolarHBondContact O-N 2.83Å; Q403-R405 PolarHBondContact O-N 3.31Å; R405-S407 PolarHBondContact O-N 3.48Å; R405-S407 VanDerWaalsContact O-N 3.1Å; R405-S408 WeakPolarHBondContact CB-OG 3.49Å; R405-S408 PolarHBondContact O-N 3.1Å; R405-S408 PolarHBondContact O-OG 2.99Å; R405-V409 HydrophobicContact CB-CG2 4.22Å; R405-V409 WeakPolarHBondContact O-CG2 3.41Å; R405-V409 PolarHBondContact O-N 3.28Å; R405-T931 PolarHBondContact NE-O 3.22Å; R405-T931 PolarHBondContact NH1-O 3.3Å; R405-T931 PolarHBondContact NH2-O 2.87Å; R405-T931 PolarHBondContact NH2-OG1 3.45Å; R405-T931 VanDerWaalsContact NH2-OG1 3.07Å; R405-P933 HydrophobicContact CG-CG 4.44Å
406Y73.8Confident80.1Confident1 Ų150.3 Ų50.30%0.00426%0.257CS..THydrogen-bonded Turntrans-55.8-39.8-166-171.7-100.1000112.8F201 I402 Q403 K414 F427 Y454 N455F201-Y406 HydrophobicContact CE1-CG 4.38Å; F201-Y406 HydrophobicContact CE2-CD1 4.02Å; F201-Y406 AromaticContact CZ-CD1 3.76Å; F201-Y406 HydrophobicContact CZ-CD1 3.76Å; F201-Y406 AromaticContact CZ-CG 3.89Å; F201-Y406 HydrophobicContact CZ-CG 3.89Å; I402-Y406 HydrophobicContact CG2-CD2 4.13Å; I402-Y406 VanDerWaalsContact O-CA 3.27Å; I402-Y406 WeakPolarHBondContact O-CA 3.21Å; I402-Y406 PolarHBondContact O-N 2.92Å; Q403-Y406 WeakPolarHBondContact O-CB 3.48Å; Q403-Y406 PolarHBondContact O-N 3.03Å; Y406-K414 HydrophobicContact CE2-CD 4.15Å; Y406-K414 WeakPolarHBondContact O-CE 3.4Å; Y406-K414 PolarHBondContact O-NZ 3.4Å; Y406-F427 HydrophobicContact CD2-CD1 4.2Å; Y406-F427 AromaticContact CD2-CE1 3.96Å; Y406-F427 HydrophobicContact CD2-CE1 3.96Å; Y406-F427 AromaticContact CE2-CD1 3.52Å; Y406-F427 HydrophobicContact CE2-CD1 3.52Å; Y406-F427 AromaticContact CE2-CE1 3.64Å; Y406-F427 HydrophobicContact CE2-CE1 3.64Å; Y406-Y454 VanDerWaalsContact CD1-O 3.22Å; Y406-Y454 WeakPolarHBondContact CD1-O 3.43Å; Y406-Y454 WeakPolarHBondContact CE1-O 3.35Å; Y406-N455 HydrophobicContact CE1-CB 3.88Å; Y406-N455 WeakPolarHBondContact CE1-OD1 3.34Å; Y406-N455 PolarHBondContact OH-ND2 3.04Å; Y406-N455 PolarHBondContact OH-OD1 3.07Å
407S66.5Low80.1Confident59 Ų5950.8 Ų50.841%0.41326%0.26SS..THydrogen-bonded Turntrans-65.3-37.4177.552.40000113.5R405R405-S407 PolarHBondContact O-N 3.48Å; R405-S407 VanDerWaalsContact O-N 3.1Å
408S66.1Low80.4Confident80 Ų8049.1 Ų49.156%0.55925%0.254SS*.THydrogen-bonded Turntrans-82.4-20.2-174.367.20000115R405R405-S408 WeakPolarHBondContact CB-OG 3.49Å; R405-S408 PolarHBondContact O-N 3.1Å; R405-S408 PolarHBondContact O-OG 2.99Å
409V76.5Confident80.6Confident27 Ų2750.5 Ų50.516%0.16426%0.259CS..SBendtrans-80.7133.1-173.1174.40000111.7I402 R405 T413 K414I402-V409 HydrophobicContact CG2-CB 4.35Å; I402-V409 HydrophobicContact CG2-CG1 4.39Å; I402-V409 HydrophobicContact CG2-CG2 4.25Å; R405-V409 HydrophobicContact CB-CG2 4.22Å; R405-V409 WeakPolarHBondContact O-CG2 3.41Å; R405-V409 PolarHBondContact O-N 3.28Å; V409-T413 HydrophobicContact CG1-CG2 3.79Å; V409-K414 HydrophobicContact CG1-CG 4.12Å; V409-K414 VanDerWaalsContact O-CE 3.29Å; V409-K414 WeakPolarHBondContact O-CE 3.43Å
410Y81Confident80.8Confident181 Ų18153 Ų5371%0.7127%0.273SS*.  trans-57.2143.1177.3-62.6-70.8000113S412 T413 K414Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.37Å; Y410-T413 WeakPolarHBondContact O-CB 3.42Å; Y410-T413 PolarHBondContact O-N 3.09Å; Y410-K414 PolarHBondContact O-N 3.41Å
411R83.3Confident81.3Confident101 Ų10152 Ų5238%0.38127%0.269SS..Hα-helixtrans-53.9-43177.9179.5179.2172-153-6.2113.2T413 K414 L415 N456 E461R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 2.85Å; R411-K414 WeakPolarHBondContact O-CB 3.48Å; R411-K414 PolarHBondContact O-N 3.26Å; R411-L415 HydrophobicContact CG-CD1 4.12Å; R411-L415 PolarHBondContact O-N 3.24Å; R411-N456 HydrophobicContact CB-CB 4.02Å; R411-N456 WeakPolarHBondContact CD-O 3.46Å; R411-N456 HydrophobicContact CG-CB 4.33Å; R411-N456 WeakPolarHBondContact CG-O 3.49Å; R411-N456 PolarHBondContact NE-O 3.48Å; R411-E461 IonicContact CZ-OE1 3.79Å; R411-E461 IonicContact NE-OE1 3.54Å; R411-E461 IonicContact NE-OE2 3.76Å; R411-E461 IonicContact NH2-OE1 2.66Å; R411-E461 PolarHBondContact NH2-OE1 2.77Å
412S85Confident82Confident69 Ų6949.2 Ų49.248%0.48326%0.256SS..Hα-helixtrans-59.9-38.8178.152.80000112.2Y410 L415 I416Y410-S412 VanDerWaalsContact C-N 3.3Å; Y410-S412 PolarHBondContact O-N 3.37Å; S412-L415 PolarHBondContact O-N 3.22Å; S412-I416 WeakPolarHBondContact O-CB 3.42Å; S412-I416 WeakPolarHBondContact O-CD1 3.27Å; S412-I416 VanDerWaalsContact O-CG1 3.24Å; S412-I416 WeakPolarHBondContact O-CG1 3.46Å; S412-I416 PolarHBondContact O-N 3.25Å
413T87.2Confident82.7Confident60 Ų6048.6 Ų48.637%0.36825%0.253SS..Hα-helixtrans-67.6-40.6177.8-56.60000111V409 Y410 R411 I416 T417V409-T413 HydrophobicContact CG1-CG2 3.79Å; Y410-T413 WeakPolarHBondContact O-CB 3.42Å; Y410-T413 PolarHBondContact O-N 3.09Å; R411-T413 VanDerWaalsContact C-N 3.28Å; R411-T413 PolarHBondContact O-N 2.85Å; T413-I416 PolarHBondContact O-N 3.43Å; T413-T417 WeakPolarHBondContact O-CB 3.42Å; T413-T417 PolarHBondContact O-N 2.97Å; T413-T417 PolarHBondContact O-OG1 3.15Å
414K88.3Confident83.4Confident0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-60.8-48.4173.6-62.3178.7-178.5177.20111.2Y406 V409 Y410 R411 T417 C418 L457Y406-K414 HydrophobicContact CE2-CD 4.15Å; Y406-K414 WeakPolarHBondContact O-CE 3.4Å; Y406-K414 PolarHBondContact O-NZ 3.4Å; V409-K414 HydrophobicContact CG1-CG 4.12Å; V409-K414 VanDerWaalsContact O-CE 3.29Å; V409-K414 WeakPolarHBondContact O-CE 3.43Å; Y410-K414 PolarHBondContact O-N 3.41Å; R411-K414 WeakPolarHBondContact O-CB 3.48Å; R411-K414 PolarHBondContact O-N 3.26Å; K414-T417 CarbonylContact O-C 3.51Å; K414-T417 WeakPolarHBondContact O-CB 3.43Å; K414-T417 PolarHBondContact O-N 3.36Å; K414-T417 VanDerWaalsContact O-N 3.15Å; K414-C418 PolarHBondContact O-N 2.91Å; K414-C418 PolarHBondContact O-SG 3.26Å; K414-L457 HydrophobicContact CB-CD2 4.45Å
415L89.5Confident84.7Confident43 Ų4345.5 Ų45.523%0.22524%0.235CC..Hα-helixtrans-60.9-45.1177.9-75.7169.6000112.7R411 S412 T417 C418 L457 E461 M465R411-L415 HydrophobicContact CG-CD1 4.12Å; R411-L415 PolarHBondContact O-N 3.24Å; S412-L415 PolarHBondContact O-N 3.22Å; L415-T417 VanDerWaalsContact C-N 3.25Å; L415-T417 PolarHBondContact O-N 2.99Å; L415-C418 VanDerWaalsContact O-CB 3.31Å; L415-C418 WeakPolarHBondContact O-CB 3.48Å; L415-C418 PolarHBondContact O-N 3.17Å; L415-C418 VanDerWaalsContact O-N 3.09Å; L415-L457 HydrophobicContact CD2-CD1 3.44Å; L415-L457 VanDerWaalsContact CD2-CD1 3.44Å; L415-L457 HydrophobicContact CG-CD1 3.86Å; L415-E461 HydrophobicContact CD2-CB 4.25Å; L415-M465 HydrophobicContact CD2-CG 3.96Å; L415-M465 HydrophobicContact CD2-SD 4.43Å; L415-M465 WeakPolarHBondContact O-CE 3.42Å
416I89.9Confident85.9Confident112 Ų11241.6 Ų41.657%0.57422%0.221SC*.Hα-helixtrans-61.3-39.4175.7-69.7164.8000110.3S412 T413 C418 L419S412-I416 WeakPolarHBondContact O-CB 3.42Å; S412-I416 WeakPolarHBondContact O-CD1 3.27Å; S412-I416 VanDerWaalsContact O-CG1 3.24Å; S412-I416 WeakPolarHBondContact O-CG1 3.46Å; S412-I416 PolarHBondContact O-N 3.25Å; T413-I416 PolarHBondContact O-N 3.43Å; I416-C418 PolarHBondContact O-N 3.39Å; I416-L419 VanDerWaalsContact O-CB 3.28Å; I416-L419 WeakPolarHBondContact O-CB 3.44Å; I416-L419 PolarHBondContact O-N 2.67Å; I416-L419 VanDerWaalsContact O-N 3.11Å
417T89.7Confident86.6Confident17 Ų1741.5 Ų41.510%0.10422%0.22CC..Hα-helixtrans-68.3-25.7177.7-52.50000112.3P398 I402 T413 K414 L415 L419 L420 F427P398-T417 HydrophobicContact CB-CG2 3.37Å; P398-T417 HydrophobicContact CG-CG2 4.43Å; I402-T417 HydrophobicContact CD1-CG2 3.87Å; I402-T417 WeakPolarHBondContact CD1-OG1 3.34Å; T413-T417 WeakPolarHBondContact O-CB 3.42Å; T413-T417 PolarHBondContact O-N 2.97Å; T413-T417 PolarHBondContact O-OG1 3.15Å; K414-T417 CarbonylContact O-C 3.51Å; K414-T417 WeakPolarHBondContact O-CB 3.43Å; K414-T417 PolarHBondContact O-N 3.36Å; K414-T417 VanDerWaalsContact O-N 3.15Å; L415-T417 VanDerWaalsContact C-N 3.25Å; L415-T417 PolarHBondContact O-N 2.99Å; T417-L419 PolarHBondContact O-N 3.28Å; T417-L420 WeakPolarHBondContact O-CB 3.43Å; T417-L420 PolarHBondContact O-N 3.31Å; T417-F427 HydrophobicContact CG2-CE2 4.08Å; T417-F427 HydrophobicContact CG2-CZ 4.48Å
418C91.3Very high87.8Confident0 Ų038.7 Ų38.70%020%0.201CC..THydrogen-bonded Turntrans-66.8-11.4171.8-660000114.1K414 L415 I416 L420 A424 M465K414-C418 PolarHBondContact O-N 2.91Å; K414-C418 PolarHBondContact O-SG 3.26Å; L415-C418 VanDerWaalsContact O-CB 3.31Å; L415-C418 WeakPolarHBondContact O-CB 3.48Å; L415-C418 PolarHBondContact O-N 3.17Å; L415-C418 VanDerWaalsContact O-N 3.09Å; I416-C418 PolarHBondContact O-N 3.39Å; C418-L420 PolarHBondContact O-N 3.23Å; C418-A424 HydrophobicContact CB-CB 3.97Å; C418-A424 WeakPolarHBondContact O-CB 3.1Å; C418-M465 HydrophobicContact CB-CB 3.71Å; C418-M465 HydrophobicContact CB-CG 3.9Å
419L89.2Confident89Confident65 Ų6535 Ų3534%0.3418%0.175SC..THydrogen-bonded Turntrans-68.8-1.8165.5-65.6170.5000112.9I416 T417 M465 V468 D469 I472I416-L419 VanDerWaalsContact O-CB 3.28Å; I416-L419 WeakPolarHBondContact O-CB 3.44Å; I416-L419 PolarHBondContact O-N 2.67Å; I416-L419 VanDerWaalsContact O-N 3.11Å; T417-L419 PolarHBondContact O-N 3.28Å; L419-M465 HydrophobicContact CD2-CE 3.4Å; L419-M465 VanDerWaalsContact CD2-CE 3.4Å; L419-M465 HydrophobicContact CG-CE 3.63Å; L419-V468 HydrophobicContact CD2-CG1 4.37Å; L419-D469 VanDerWaalsContact C-OD2 3.24Å; L419-D469 WeakPolarHBondContact CA-OD1 3.24Å; L419-D469 VanDerWaalsContact O-OD1 3.08Å; L419-I472 HydrophobicContact CD2-CD1 3.91Å
420L91.1Very high89.5Confident57 Ų5734 Ų3430%0.29817%0.168SC..SBendtrans-108.896.3170.6-54.1172.7000107.1L395 P398 T417 C418 N422 S423 A424L395-L420 HydrophobicContact CB-CB 4.38Å; L395-L420 HydrophobicContact CD2-CB 4.23Å; L395-L420 HydrophobicContact CD2-CD2 3.61Å; L395-L420 HydrophobicContact CD2-CG 4.44Å; P398-L420 HydrophobicContact CB-CD1 4.26Å; P398-L420 HydrophobicContact CG-CD1 3.55Å; T417-L420 WeakPolarHBondContact O-CB 3.43Å; T417-L420 PolarHBondContact O-N 3.31Å; C418-L420 PolarHBondContact O-N 3.23Å; L420-N422 VanDerWaalsContact C-N 3.28Å; L420-N422 PolarHBondContact O-N 3.13Å; L420-S423 WeakPolarHBondContact O-CA 3.43Å; L420-S423 WeakPolarHBondContact O-CB 3.2Å; L420-S423 PolarHBondContact O-N 2.82Å; L420-A424 PolarHBondContact O-N 3.47Å; L420-A424 VanDerWaalsContact O-N 3.08Å
421A89.3Confident89.7Confident1 Ų125.5 Ų25.51%0.00814%0.135CC..Hα-helixtrans-12.3-62.9169.800000117.1M366 W392 L395 A424 M425 D469M366-A421 HydrophobicContact CE-CB 3.2Å; M366-A421 HydrophobicContact SD-CB 3.44Å; M366-A421 WeakPolarHBondContact SD-CB 3.39Å; W392-A421 HydrophobicContact CZ3-CB 4.17Å; L395-A421 HydrophobicContact CD1-CB 3.98Å; A421-A424 PolarHBondContact O-N 3.49Å; A421-M425 PolarHBondContact O-N 3.43Å; A421-D469 PolarHBondContact N-OD2 3.5Å
422N93.6Very high90Very high0 Ų021 Ų210%012%0.118CC..Hα-helixtrans-75-30.8-174.6-71.8-24.2000113L279 Y363 W392 L395 L420 S426L279-N422 HydrophobicContact CD1-CB 4.07Å; L279-N422 VanDerWaalsContact CD1-CG 3.45Å; L279-N422 WeakPolarHBondContact CD1-ND2 3.28Å; Y363-N422 PolarHBondContact OH-OD1 2.76Å; W392-N422 VanDerWaalsContact CD2-ND2 3.31Å; W392-N422 WeakPolarHBondContact CZ2-OD1 3.27Å; W392-N422 PolarHBondContact O-ND2 3.09Å; L395-N422 HydrophobicContact CB-CB 3.98Å; L420-N422 VanDerWaalsContact C-N 3.28Å; L420-N422 PolarHBondContact O-N 3.13Å; N422-S426 WeakPolarHBondContact O-CB 3.49Å; N422-S426 PolarHBondContact O-N 3.34Å; N422-S426 PolarHBondContact O-OG 3.38Å
423S92.4Very high90Very high0 Ų017.7 Ų17.70%010%0.095CC..Hα-helixtrans-67.8-42.4171.6-63.40000110.8L395 L420 S426 F427L395-S423 PolarHBondContact O-N 2.65Å; L395-S423 PolarHBondContact O-OG 3.35Å; L420-S423 WeakPolarHBondContact O-CA 3.43Å; L420-S423 WeakPolarHBondContact O-CB 3.2Å; L420-S423 PolarHBondContact O-N 2.82Å; S423-S426 PolarHBondContact O-N 3.41Å; S423-F427 WeakPolarHBondContact O-CD2 3.49Å; S423-F427 WeakPolarHBondContact O-CG 3.25Å; S423-F427 PolarHBondContact O-N 2.91Å
424A93.3Very high89.7Confident0 Ų014.9 Ų14.90%08%0.078CC..Hα-helixtrans-59.7-47173.800000112.4C418 L420 A421 S426 F427 G428 I462 L466C418-A424 HydrophobicContact CB-CB 3.97Å; C418-A424 WeakPolarHBondContact O-CB 3.1Å; L420-A424 PolarHBondContact O-N 3.47Å; L420-A424 VanDerWaalsContact O-N 3.08Å; A421-A424 PolarHBondContact O-N 3.49Å; A424-S426 VanDerWaalsContact C-N 3.27Å; A424-S426 PolarHBondContact O-N 2.98Å; A424-F427 PolarHBondContact O-N 3.32Å; A424-G428 PolarHBondContact O-N 3.23Å; A424-I462 HydrophobicContact CB-CG2 4.25Å; A424-I462 VanDerWaalsContact O-CG2 3.25Å; A424-I462 WeakPolarHBondContact O-CG2 3.38Å; A424-L466 HydrophobicContact CB-CD2 3.75Å; A424-L466 HydrophobicContact CB-CG 4.19Å
425M93.8Very high89.6Confident0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-58.3-41.7174.7-179.7-131.362.400111.5P275 L278 F359 Y363 A421 G428 V429P275-M425 HydrophobicContact CB-CE 4.14Å; P275-M425 WeakPolarHBondContact O-CE 3.3Å; L278-M425 HydrophobicContact CB-CE 4.38Å; L278-M425 HydrophobicContact CB-SD 3.66Å; L278-M425 HydrophobicContact CD1-SD 4.33Å; F359-M425 HydrophobicContact CZ-CG 4.44Å; Y363-M425 HydrophobicContact CD1-CG 4.26Å; Y363-M425 HydrophobicContact CD2-CB 3.77Å; Y363-M425 HydrophobicContact CD2-CG 4.13Å; Y363-M425 HydrophobicContact CE1-CG 3.99Å; Y363-M425 HydrophobicContact CE1-SD 4.03Å; Y363-M425 HydrophobicContact CE2-CB 3.49Å; Y363-M425 VanDerWaalsContact CE2-CB 3.49Å; Y363-M425 HydrophobicContact CE2-CG 3.89Å; Y363-M425 HydrophobicContact CE2-SD 4.42Å; Y363-M425 HydrophobicContact CG-CB 4.4Å; Y363-M425 HydrophobicContact CG-CG 4.29Å; A421-M425 PolarHBondContact O-N 3.43Å; M425-G428 PolarHBondContact O-N 2.92Å; M425-V429 HydrophobicContact CG-CG2 4.48Å; M425-V429 VanDerWaalsContact O-CG2 3.28Å; M425-V429 WeakPolarHBondContact O-CG2 3.43Å; M425-V429 PolarHBondContact O-N 2.95Å
426S92.5Very high89.4Confident0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-68.5-40.3-178.1-55.20000112.5Y396 Y399 N422 S423 A424 G428 V429 Q430Y396-S426 VanDerWaalsContact CD2-OG 3.25Å; Y396-S426 WeakPolarHBondContact CD2-OG 3.35Å; Y396-S426 WeakPolarHBondContact CE2-OG 3.39Å; Y399-S426 VanDerWaalsContact CG-CB 3.47Å; N422-S426 WeakPolarHBondContact O-CB 3.49Å; N422-S426 PolarHBondContact O-N 3.34Å; N422-S426 PolarHBondContact O-OG 3.38Å; S423-S426 PolarHBondContact O-N 3.41Å; A424-S426 VanDerWaalsContact C-N 3.27Å; A424-S426 PolarHBondContact O-N 2.98Å; S426-G428 VanDerWaalsContact C-N 3.33Å; S426-V429 PolarHBondContact O-N 3.15Å; S426-Q430 VanDerWaalsContact O-CB 3.27Å; S426-Q430 WeakPolarHBondContact O-CB 3.35Å; S426-Q430 PolarHBondContact O-N 3.49Å
427F90.3Very high88.7Confident0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-63-39.1171.4-66.8-48.3000112Y399 I402 Y406 T417 S423 A424 Q430 L431 L457 I462Y399-F427 AromaticContact CD2-CD1 3.8Å; Y399-F427 HydrophobicContact CD2-CD1 3.8Å; Y399-F427 AromaticContact CD2-CE1 3.7Å; Y399-F427 HydrophobicContact CD2-CE1 3.7Å; Y399-F427 HydrophobicContact CD2-CG 4.46Å; Y399-F427 HydrophobicContact CD2-CZ 4.28Å; Y399-F427 AromaticContact CE2-CD1 3.97Å; Y399-F427 HydrophobicContact CE2-CD1 3.97Å; Y399-F427 HydrophobicContact CE2-CE1 4.17Å; I402-F427 HydrophobicContact CB-CE1 4.35Å; I402-F427 HydrophobicContact CB-CZ 4.12Å; I402-F427 HydrophobicContact CD1-CZ 3.99Å; I402-F427 HydrophobicContact CG2-CE1 3.82Å; I402-F427 HydrophobicContact CG2-CZ 3.82Å; Y406-F427 HydrophobicContact CD2-CD1 4.2Å; Y406-F427 AromaticContact CD2-CE1 3.96Å; Y406-F427 HydrophobicContact CD2-CE1 3.96Å; Y406-F427 AromaticContact CE2-CD1 3.52Å; Y406-F427 HydrophobicContact CE2-CD1 3.52Å; Y406-F427 AromaticContact CE2-CE1 3.64Å; Y406-F427 HydrophobicContact CE2-CE1 3.64Å; T417-F427 HydrophobicContact CG2-CE2 4.08Å; T417-F427 HydrophobicContact CG2-CZ 4.48Å; S423-F427 WeakPolarHBondContact O-CD2 3.49Å; S423-F427 WeakPolarHBondContact O-CG 3.25Å; S423-F427 PolarHBondContact O-N 2.91Å; A424-F427 PolarHBondContact O-N 3.32Å; F427-Q430 PolarHBondContact O-N 3.1Å; F427-L431 WeakPolarHBondContact O-CB 3.38Å; F427-L431 PolarHBondContact O-N 2.9Å; F427-L457 HydrophobicContact CB-CD2 4.29Å; F427-I462 HydrophobicContact CB-CD1 3.97Å
428G91.4Very high88.1Confident0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-65.3-42.3176.800000112.6A424 M425 S426 L431 I432A424-G428 PolarHBondContact O-N 3.23Å; M425-G428 PolarHBondContact O-N 2.92Å; S426-G428 VanDerWaalsContact C-N 3.33Å; G428-L431 WeakPolarHBondContact O-CB 3.33Å; G428-L431 PolarHBondContact O-N 2.8Å; G428-I432 WeakPolarHBondContact O-CG1 3.41Å; G428-I432 PolarHBondContact O-N 3.18Å
429V91.3Very high87.4Confident2 Ų210 Ų101%0.0125%0.051CC..Hα-helixtrans-67.6-40.8175.6174.80000112L274 P275 L278 F359 M425 S426 L431 I432 G433L274-V429 HydrophobicContact CB-CG1 3.73Å; L274-V429 HydrophobicContact CD2-CG1 3.79Å; L274-V429 HydrophobicContact CG-CG1 3.71Å; P275-V429 HydrophobicContact CG-CB 4Å; P275-V429 HydrophobicContact CG-CG1 3.67Å; L278-V429 HydrophobicContact CD1-CG2 3.55Å; F359-V429 HydrophobicContact CE1-CG2 4.28Å; M425-V429 HydrophobicContact CG-CG2 4.48Å; M425-V429 VanDerWaalsContact O-CG2 3.28Å; M425-V429 WeakPolarHBondContact O-CG2 3.43Å; M425-V429 PolarHBondContact O-N 2.95Å; S426-V429 PolarHBondContact O-N 3.15Å; V429-L431 VanDerWaalsContact C-N 3.25Å; V429-L431 PolarHBondContact O-N 2.83Å; V429-I432 WeakPolarHBondContact O-CB 3.4Å; V429-I432 PolarHBondContact O-N 3.08Å; V429-G433 PolarHBondContact O-N 3.12Å
430Q85.7Confident86.9Confident5 Ų57.9 Ų7.92%0.0234%0.041CC..Hα-helixtrans-59.7-40.9174.2-177.5171.934.200110.8F201 S426 F427 G433 I434F201-Q430 VanDerWaalsContact CZ-NE2 3.26Å; S426-Q430 VanDerWaalsContact O-CB 3.27Å; S426-Q430 WeakPolarHBondContact O-CB 3.35Å; S426-Q430 PolarHBondContact O-N 3.49Å; F427-Q430 PolarHBondContact O-N 3.1Å; Q430-G433 PolarHBondContact O-N 3Å; Q430-I434 HydrophobicContact CG-CD1 4.13Å; Q430-I434 VanDerWaalsContact O-CG1 3.27Å; Q430-I434 WeakPolarHBondContact O-CG1 3.35Å; Q430-I434 PolarHBondContact O-N 3.33Å
431L86.3Confident86.6Confident3 Ų35.1 Ų5.12%0.0163%0.027CC..Hα-helixtrans-65.2-41.3175.7-172.855.5000112.4F427 G428 V429 G433 I434 F435 N455 M459 I462F427-L431 WeakPolarHBondContact O-CB 3.38Å; F427-L431 PolarHBondContact O-N 2.9Å; G428-L431 WeakPolarHBondContact O-CB 3.33Å; G428-L431 PolarHBondContact O-N 2.8Å; V429-L431 VanDerWaalsContact C-N 3.25Å; V429-L431 PolarHBondContact O-N 2.83Å; L431-G433 VanDerWaalsContact C-N 3.33Å; L431-G433 PolarHBondContact O-N 3.1Å; L431-I434 PolarHBondContact O-N 3.31Å; L431-F435 HydrophobicContact CD1-CD2 3.83Å; L431-F435 HydrophobicContact CD1-CE2 3.43Å; L431-F435 VanDerWaalsContact CD1-CE2 3.43Å; L431-F435 HydrophobicContact CD1-CZ 4.22Å; L431-F435 HydrophobicContact CD2-CE2 4.1Å; L431-F435 HydrophobicContact CG-CD2 3.83Å; L431-F435 HydrophobicContact CG-CE2 3.56Å; L431-F435 VanDerWaalsContact O-CD2 3.25Å; L431-F435 WeakPolarHBondContact O-CD2 3.44Å; L431-F435 PolarHBondContact O-N 3.24Å; L431-N455 WeakPolarHBondContact CD1-ND2 3.45Å; L431-M459 HydrophobicContact CD2-CB 3.73Å; L431-M459 HydrophobicContact CD2-SD 4.23Å; L431-I462 HydrophobicContact CD2-CD1 4.4Å
432I88.8Confident86.6Confident6 Ų65.1 Ų5.13%0.0313%0.027CC..Hα-helixtrans-56.6-49171-68.4163.9000110.1L348 F359 G428 V429 I434 F435 E436 L442 M459L348-I432 HydrophobicContact CD1-CG2 4.11Å; L348-I432 HydrophobicContact CD2-CG2 3.88Å; F359-I432 HydrophobicContact CD1-CD1 4.25Å; F359-I432 HydrophobicContact CE1-CD1 4.39Å; G428-I432 WeakPolarHBondContact O-CG1 3.41Å; G428-I432 PolarHBondContact O-N 3.18Å; V429-I432 WeakPolarHBondContact O-CB 3.4Å; V429-I432 PolarHBondContact O-N 3.08Å; I432-I434 VanDerWaalsContact C-N 3.29Å; I432-I434 PolarHBondContact O-N 3.2Å; I432-F435 PolarHBondContact O-N 3.38Å; I432-E436 VanDerWaalsContact O-CB 3.31Å; I432-E436 WeakPolarHBondContact O-CB 3.43Å; I432-E436 PolarHBondContact O-N 3.21Å; I432-L442 HydrophobicContact CD1-CD2 4.32Å; I432-L442 HydrophobicContact CG1-CB 4.36Å; I432-L442 HydrophobicContact CG1-CD2 3.76Å; I432-M459 HydrophobicContact CD1-CE 4.44Å
433G85.5Confident86.4Confident0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-63.1-32.3178.800000113.8Q271 V429 Q430 L431 G437Q271-G433 PolarHBondContact NE2-O 2.91Å; V429-G433 PolarHBondContact O-N 3.12Å; Q430-G433 PolarHBondContact O-N 3Å; L431-G433 VanDerWaalsContact C-N 3.33Å; L431-G433 PolarHBondContact O-N 3.1Å; G433-G437 PolarHBondContact O-N 3.1Å
434I81.2Confident86.3Confident1 Ų112.8 Ų12.81%0.0056%0.058CC..Hα-helixtrans-68.9-49.4174.9-70.7162.7000110.8F201 P203 Q430 L431 I432 E436 G437 Q438 T452 Y454F201-I434 HydrophobicContact CE2-CD1 4.04Å; P203-I434 HydrophobicContact CG-CB 4.34Å; P203-I434 HydrophobicContact CG-CG1 4.09Å; P203-I434 HydrophobicContact CG-CG2 3.99Å; Q430-I434 HydrophobicContact CG-CD1 4.13Å; Q430-I434 VanDerWaalsContact O-CG1 3.27Å; Q430-I434 WeakPolarHBondContact O-CG1 3.35Å; Q430-I434 PolarHBondContact O-N 3.33Å; L431-I434 PolarHBondContact O-N 3.31Å; I432-I434 VanDerWaalsContact C-N 3.29Å; I432-I434 PolarHBondContact O-N 3.2Å; I434-E436 VanDerWaalsContact C-N 3.3Å; I434-E436 PolarHBondContact O-N 2.74Å; I434-G437 PolarHBondContact O-N 3.1Å; I434-Q438 WeakPolarHBondContact O-CG 3.29Å; I434-Q438 PolarHBondContact O-N 3.22Å; I434-Q438 VanDerWaalsContact O-N 3.12Å; I434-T452 HydrophobicContact CG2-CG2 4.23Å; I434-T452 WeakPolarHBondContact CG2-OG1 3.47Å; I434-Y454 HydrophobicContact CG2-CD2 4.21Å
435F84.6Confident85.9Confident11 Ų1118.6 Ų18.65%0.0488%0.08CC..Hα-helixtrans-64.8-35.6178.5-78.4-63.5000112.5L431 I432 Q438 V440 G441 L442 T452L431-F435 HydrophobicContact CD1-CD2 3.83Å; L431-F435 HydrophobicContact CD1-CE2 3.43Å; L431-F435 VanDerWaalsContact CD1-CE2 3.43Å; L431-F435 HydrophobicContact CD1-CZ 4.22Å; L431-F435 HydrophobicContact CD2-CE2 4.1Å; L431-F435 HydrophobicContact CG-CD2 3.83Å; L431-F435 HydrophobicContact CG-CE2 3.56Å; L431-F435 VanDerWaalsContact O-CD2 3.25Å; L431-F435 WeakPolarHBondContact O-CD2 3.44Å; L431-F435 PolarHBondContact O-N 3.24Å; I432-F435 PolarHBondContact O-N 3.38Å; F435-Q438 PolarHBondContact O-N 2.83Å; F435-V440 PolarHBondContact O-N 3.15Å; F435-G441 PolarHBondContact O-N 3.46Å; F435-L442 HydrophobicContact CD2-CD1 3.9Å; F435-L442 HydrophobicContact CE2-CD1 4Å; F435-T452 HydrophobicContact CD1-CG2 3.77Å; F435-T452 HydrophobicContact CE1-CG2 3.32Å; F435-T452 HydrophobicContact CZ-CG2 3.81Å
436E85.3Confident85.4Confident8 Ų818.7 Ų18.74%0.0378%0.081CC..Hα-helixtrans-65.7-41.4175.1-160.566.9-151.700111.2L348 D349 K350 S351 I432 I434 Q438 N439L348-E436 HydrophobicContact CD2-CG 4.07Å; D349-E436 WeakPolarHBondContact CA-OE1 3.47Å; D349-E436 PolarHBondContact N-OE1 2.99Å; K350-E436 PolarHBondContact N-OE1 2.66Å; S351-E436 WeakPolarHBondContact CB-OE2 3.42Å; S351-E436 PolarHBondContact N-OE2 3.28Å; S351-E436 VanDerWaalsContact N-OE2 3.17Å; S351-E436 PolarHBondContact OG-OE2 2.92Å; I432-E436 VanDerWaalsContact O-CB 3.31Å; I432-E436 WeakPolarHBondContact O-CB 3.43Å; I432-E436 PolarHBondContact O-N 3.21Å; I434-E436 VanDerWaalsContact C-N 3.3Å; I434-E436 PolarHBondContact O-N 2.74Å; E436-Q438 PolarHBondContact O-N 3.46Å; E436-N439 PolarHBondContact O-N 3.17Å
437G77.1Confident85.1Confident0 Ų018.9 Ų18.90%08%0.082CC..Hα-helixtrans-64.9-25.5174.400000114.6G433 I434 N439G433-G437 PolarHBondContact O-N 3.1Å; I434-G437 PolarHBondContact O-N 3.1Å; G437-N439 PolarHBondContact O-N 2.93Å
438Q76.5Confident84.8Confident13 Ų1326 Ų266%0.06111%0.113CC..THydrogen-bonded Turntrans-82.73.7173.2-68.5178.6-23.800113.6I434 F435 E436 V440I434-Q438 WeakPolarHBondContact O-CG 3.29Å; I434-Q438 PolarHBondContact O-N 3.22Å; I434-Q438 VanDerWaalsContact O-N 3.12Å; F435-Q438 PolarHBondContact O-N 2.83Å; E436-Q438 PolarHBondContact O-N 3.46Å; Q438-V440 HydrophobicContact CB-CG2 4.39Å; Q438-V440 PolarHBondContact O-N 3.08Å
439N76Confident83.8Confident37 Ų3730 Ų3020%0.19813%0.131CC..THydrogen-bonded Turntrans60.716.1-176.2-68-77.5000115.4N205 E436 G437N205-N439 PolarHBondContact OD1-ND2 2.95Å; E436-N439 PolarHBondContact O-N 3.17Å; G437-N439 PolarHBondContact O-N 2.93Å
440V78.9Confident82.5Confident21 Ų2135.4 Ų35.413%0.12716%0.157CC..SBendtrans-96.5-40.2175-177.10000110.8F435 Q438 Q443 Y445 D998F435-V440 PolarHBondContact O-N 3.15Å; Q438-V440 HydrophobicContact CB-CG2 4.39Å; Q438-V440 PolarHBondContact O-N 3.08Å; V440-Q443 PolarHBondContact O-NE2 3.42Å; V440-Y445 WeakPolarHBondContact CG1-OH 3.3Å; V440-D998 HydrophobicContact CG2-CB 4.24Å
441G85.2Confident80.9Confident0 Ų035.9 Ų35.90%016%0.163CC..  trans69.1169.6-170.300000113S351 F435 N446S351-G441 WeakPolarHBondContact OG-CA 3.38Å; F435-G441 PolarHBondContact O-N 3.46Å; G441-N446 PolarHBondContact O-ND2 3.35Å
442L89.2Confident79.4Confident0 Ų036.2 Ų36.20%017%0.165CC..  trans-80.4125.7175.5-173.572.5000110.3S351 D352 V355 I432 F435 M459S351-L442 WeakPolarHBondContact CA-O 3.46Å; S351-L442 PolarHBondContact OG-N 2.8Å; D352-L442 PolarHBondContact N-O 3.31Å; V355-L442 HydrophobicContact CB-CD2 4.45Å; V355-L442 HydrophobicContact CG1-CD2 3.57Å; V355-L442 HydrophobicContact CG1-CG 3.86Å; I432-L442 HydrophobicContact CD1-CD2 4.32Å; I432-L442 HydrophobicContact CG1-CB 4.36Å; I432-L442 HydrophobicContact CG1-CD2 3.76Å; F435-L442 HydrophobicContact CD2-CD1 3.9Å; F435-L442 HydrophobicContact CE2-CD1 4Å; L442-M459 HydrophobicContact CD1-CB 4.13Å; L442-M459 HydrophobicContact CD1-CG 4.04Å; L442-M459 HydrophobicContact CD2-CE 3.8Å; L442-M459 HydrophobicContact CD2-CG 4.06Å; L442-M459 HydrophobicContact CD2-SD 4.33Å
443Q89.3Confident77.9Confident40 Ų4037 Ų3719%0.18717%0.169CC..  trans-131.3164.1-174.1-57.7-64.5-25.100110.8K350 V440 Y445 N446 L447K350-Q443 PolarHBondContact O-NE2 2.96Å; V440-Q443 PolarHBondContact O-NE2 3.42Å; Q443-Y445 VanDerWaalsContact C-N 3.31Å; Q443-Y445 HydrophobicContact CB-CD1 3.52Å; Q443-Y445 HydrophobicContact CB-CE1 3.32Å; Q443-Y445 HydrophobicContact CB-CG 4.36Å; Q443-Y445 HydrophobicContact CG-CD1 4.23Å; Q443-Y445 HydrophobicContact CG-CE1 3.52Å; Q443-Y445 PolarHBondContact O-N 3.29Å; Q443-N446 PolarHBondContact N-ND2 3.11Å; Q443-N446 PolarHBondContact N-OD1 3.24Å; Q443-N446 PolarHBondContact O-N 3.26Å; Q443-N446 PolarHBondContact O-OD1 2.93Å; Q443-L447 PolarHBondContact O-N 2.86Å
444W90.2Very high76.5Confident122 Ų12237.5 Ų37.546%0.46217%0.171SC..THydrogen-bonded Turntrans-63.3-36.1177.8-76.799.8000113.3D352 T354 V355 F358 N446 L447D352-W444 PolarHBondContact OD2-NE1 3.27Å; T354-W444 PolarHBondContact OG1-NE1 3.09Å; V355-W444 HydrophobicContact CG2-CB 4.45Å; V355-W444 VanDerWaalsContact CG2-CD1 3.43Å; V355-W444 HydrophobicContact CG2-CD2 3.68Å; V355-W444 VanDerWaalsContact CG2-CE2 3.48Å; V355-W444 HydrophobicContact CG2-CE3 4.47Å; V355-W444 HydrophobicContact CG2-CG 3.65Å; V355-W444 HydrophobicContact CG2-CZ2 4.1Å; V355-W444 VanDerWaalsContact CG2-NE1 3.33Å; F358-W444 HydrophobicContact CB-CH2 4.1Å; F358-W444 HydrophobicContact CB-CZ2 4.46Å; F358-W444 AromaticContact CD1-CH2 3.99Å; F358-W444 HydrophobicContact CD1-CH2 3.99Å; F358-W444 HydrophobicContact CD1-CZ3 4.41Å; F358-W444 HydrophobicContact CG-CH2 4.02Å; W444-N446 VanDerWaalsContact C-N 3.33Å; W444-N446 PolarHBondContact O-N 3.37Å; W444-L447 HydrophobicContact CD2-CD1 4.01Å; W444-L447 HydrophobicContact CE3-CD1 3.24Å; W444-L447 HydrophobicContact CZ3-CD1 3.67Å
445Y85.3Confident75.5Confident121 Ų12137.7 Ų37.748%0.47517%0.172SC..THydrogen-bonded Turntrans-73.1-24.7-178.471-96.2000113V440 Q443 H449 D998V440-Y445 WeakPolarHBondContact CG1-OH 3.3Å; Q443-Y445 VanDerWaalsContact C-N 3.31Å; Q443-Y445 HydrophobicContact CB-CD1 3.52Å; Q443-Y445 HydrophobicContact CB-CE1 3.32Å; Q443-Y445 HydrophobicContact CB-CG 4.36Å; Q443-Y445 HydrophobicContact CG-CD1 4.23Å; Q443-Y445 HydrophobicContact CG-CE1 3.52Å; Q443-Y445 PolarHBondContact O-N 3.29Å; Y445-H449 PolarHBondContact O-ND1 3.49Å; Y445-D998 WeakPolarHBondContact CE2-OD2 3.34Å; Y445-D998 PolarHBondContact OH-OD2 2.72Å
446N83.3Confident74.9Confident2 Ų241.1 Ų41.11%0.01119%0.191CC..THydrogen-bonded Turntrans-95.90.8-178.772.916.1000114.5G441 Q443 W444 F448 H449G441-N446 PolarHBondContact O-ND2 3.35Å; Q443-N446 PolarHBondContact N-ND2 3.11Å; Q443-N446 PolarHBondContact N-OD1 3.24Å; Q443-N446 PolarHBondContact O-N 3.26Å; Q443-N446 PolarHBondContact O-OD1 2.93Å; W444-N446 VanDerWaalsContact C-N 3.33Å; W444-N446 PolarHBondContact O-N 3.37Å; N446-F448 VanDerWaalsContact C-N 3.3Å; N446-F448 PolarHBondContact O-N 3.49Å; N446-H449 WeakPolarHBondContact CA-ND1 3.35Å; N446-H449 HydrophobicContact CB-CB 4.48Å; N446-H449 WeakPolarHBondContact O-CB 3.37Å; N446-H449 PolarHBondContact O-N 2.83Å
447L85.7Confident74.8Confident5 Ų540.8 Ų40.83%0.02619%0.189CC..THydrogen-bonded Turntrans-55.6-40.3176.8-92.4153.6000114.4V355 Q443 W444 M459 I460 I463V355-L447 HydrophobicContact CG1-CD1 4.2Å; V355-L447 HydrophobicContact CG1-CD2 4.27Å; V355-L447 HydrophobicContact CG1-CG 4.27Å; Q443-L447 PolarHBondContact O-N 2.86Å; W444-L447 HydrophobicContact CD2-CD1 4.01Å; W444-L447 HydrophobicContact CE3-CD1 3.24Å; W444-L447 HydrophobicContact CZ3-CD1 3.67Å; L447-M459 HydrophobicContact CD2-CB 3.97Å; L447-M459 HydrophobicContact CD2-CG 3.73Å; L447-M459 PolarHBondContact O-N 3.23Å; L447-I460 WeakPolarHBondContact O-CG2 3.33Å; L447-I460 PolarHBondContact O-N 3.09Å; L447-I460 VanDerWaalsContact O-N 3.09Å; L447-I463 HydrophobicContact CD2-CD1 3.8Å
448F83.5Confident75.3Confident149 Ų14940.8 Ų40.865%0.65419%0.189SC*.THydrogen-bonded Turntrans-86.5-10.8-179.7-68.9-88.6000113N446 Q450 I460N446-F448 VanDerWaalsContact C-N 3.3Å; N446-F448 PolarHBondContact O-N 3.49Å; F448-Q450 PolarHBondContact O-N 3.25Å; F448-I460 HydrophobicContact CD1-CB 4.35Å; F448-I460 HydrophobicContact CD1-CG1 4.31Å; F448-I460 HydrophobicContact CD1-CG2 3.69Å; F448-I460 HydrophobicContact CE1-CB 4.35Å; F448-I460 HydrophobicContact CE1-CG1 3.82Å; F448-I460 HydrophobicContact CE1-CG2 4.05Å; F448-I460 HydrophobicContact CG-CG2 4.2Å; F448-I460 HydrophobicContact CZ-CD1 4.47Å; F448-I460 HydrophobicContact CZ-CG1 4.06Å
449H71.8Confident76Confident84 Ų8440.2 Ų40.239%0.38919%0.187SC..  trans-62.1112.2178.9-79.763000108.4Y445 N446 G451 S458Y445-H449 PolarHBondContact O-ND1 3.49Å; N446-H449 WeakPolarHBondContact CA-ND1 3.35Å; N446-H449 HydrophobicContact CB-CB 4.48Å; N446-H449 WeakPolarHBondContact O-CB 3.37Å; N446-H449 PolarHBondContact O-N 2.83Å; H449-G451 PolarHBondContact O-N 2.84Å; H449-S458 WeakPolarHBondContact O-CB 3.49Å
450Q63.8Low76.8Confident115 Ų11540.7 Ų40.754%0.53719%0.189SC..  trans-78.5111.7168.9-74177.6-9.300106.6F448 E461F448-Q450 PolarHBondContact O-N 3.25Å; Q450-E461 PolarHBondContact NE2-OE1 2.74Å
451G52.4Low77.4Confident16 Ų1641 Ų4117%0.16519%0.189CC..  trans81.8112170.700000114.9H449 N455H449-G451 PolarHBondContact O-N 2.84Å; G451-N455 WeakPolarHBondContact CA-O 3.36Å
452T54.4Low77.7Confident9 Ų941 Ų416%0.05519%0.189CC..SBendtrans-76.2164.9131.6530000107.9I434 F435 Y454 N455I434-T452 HydrophobicContact CG2-CG2 4.23Å; I434-T452 WeakPolarHBondContact CG2-OG1 3.47Å; F435-T452 HydrophobicContact CD1-CG2 3.77Å; F435-T452 HydrophobicContact CE1-CG2 3.32Å; F435-T452 HydrophobicContact CZ-CG2 3.81Å; T452-Y454 PolarHBondContact O-N 3.47Å; T452-N455 PolarHBondContact O-N 3.33Å
453M55.9Low78Confident22 Ų2241.1 Ų41.111%0.10819%0.19CC..THydrogen-bonded Turntrans-34.4-23.3-175-51.1-59.99300117.8F199 G1000 D1003 Q1004F199-M453 HydrophobicContact CD1-CB 4.07Å; F199-M453 HydrophobicContact CD1-CG 4.04Å; F199-M453 HydrophobicContact CD1-SD 4.17Å; F199-M453 HydrophobicContact CD2-CB 4.43Å; F199-M453 HydrophobicContact CE1-CB 4.36Å; F199-M453 HydrophobicContact CE1-CG 4.07Å; F199-M453 HydrophobicContact CE1-SD 3.59Å; F199-M453 VanDerWaalsContact CE1-SD 3.59Å; F199-M453 HydrophobicContact CG-CB 4.11Å; F199-M453 HydrophobicContact CZ-SD 3.85Å; M453-G1000 WeakPolarHBondContact CE-O 3.21Å; M453-D1003 HydrophobicContact CG-CB 4.39Å; M453-D1003 HydrophobicContact SD-CB 3.95Å; M453-Q1004 HydrophobicContact CE-CB 3.2Å; M453-Q1004 HydrophobicContact CE-CG 3.34Å; M453-Q1004 WeakPolarHBondContact SD-CA 3.28Å; M453-Q1004 HydrophobicContact SD-CB 3.71Å; M453-Q1004 HydrophobicContact SD-CG 3.74Å; M453-Q1004 PolarHBondContact SD-N 2.89Å
454Y56.7Low78.2Confident12 Ų1241.5 Ų41.55%0.04720%0.2CC..THydrogen-bonded Turntrans-107.6-5.9-167.1-51.2-67.6000113.9F199 A200 F201 P203 Y406 I434 T452F199-Y454 HydrophobicContact CB-CD1 4.31Å; F199-Y454 HydrophobicContact CB-CE1 3.59Å; A200-Y454 WeakPolarHBondContact O-CE1 3.48Å; A200-Y454 VanDerWaalsContact O-CZ 3.3Å; A200-Y454 PolarHBondContact O-OH 3.25Å; F201-Y454 HydrophobicContact CB-CD1 4.07Å; F201-Y454 HydrophobicContact CB-CE1 4.46Å; F201-Y454 AromaticContact CD2-CD1 3.63Å; F201-Y454 HydrophobicContact CD2-CD1 3.63Å; F201-Y454 HydrophobicContact CD2-CE1 4.49Å; F201-Y454 AromaticContact CD2-CG 3.66Å; F201-Y454 HydrophobicContact CD2-CG 3.66Å; F201-Y454 HydrophobicContact CE2-CG 4.2Å; F201-Y454 HydrophobicContact CG-CD1 4.34Å; P203-Y454 HydrophobicContact CB-CD2 4.31Å; P203-Y454 HydrophobicContact CB-CE2 3.47Å; P203-Y454 VanDerWaalsContact CB-CE2 3.47Å; P203-Y454 HydrophobicContact CG-CD2 3.81Å; P203-Y454 HydrophobicContact CG-CE2 3.48Å; P203-Y454 VanDerWaalsContact CG-CE2 3.48Å; Y406-Y454 VanDerWaalsContact CD1-O 3.22Å; Y406-Y454 WeakPolarHBondContact CD1-O 3.43Å; Y406-Y454 WeakPolarHBondContact CE1-O 3.35Å; I434-Y454 HydrophobicContact CG2-CD2 4.21Å; T452-Y454 PolarHBondContact O-N 3.47Å
455N60.3Low78.4Confident5 Ų537.3 Ų37.33%0.02719%0.185CC..  trans-139.7138.1-158.4-16710.2000113.8Y406 L431 G451 T452 L457Y406-N455 HydrophobicContact CE1-CB 3.88Å; Y406-N455 WeakPolarHBondContact CE1-OD1 3.34Å; Y406-N455 PolarHBondContact OH-ND2 3.04Å; Y406-N455 PolarHBondContact OH-OD1 3.07Å; L431-N455 WeakPolarHBondContact CD1-ND2 3.45Å; G451-N455 WeakPolarHBondContact CA-O 3.36Å; T452-N455 PolarHBondContact O-N 3.33Å; N455-L457 VanDerWaalsContact CG-O 3.28Å; N455-L457 PolarHBondContact ND2-O 3.01Å; N455-L457 WeakPolarHBondContact OD1-CB 3.37Å; N455-L457 PolarHBondContact OD1-N 2.93Å; N455-L457 PolarHBondContact OD1-O 2.84Å
456N72.1Confident78.8Confident83 Ų8331.5 Ų31.544%0.44416%0.163SC..SBendtrans-111.313.3173.5-61-1.1000111.7R411R411-N456 HydrophobicContact CB-CB 4.02Å; R411-N456 WeakPolarHBondContact CD-O 3.46Å; R411-N456 HydrophobicContact CG-CB 4.33Å; R411-N456 WeakPolarHBondContact CG-O 3.49Å; R411-N456 PolarHBondContact NE-O 3.48Å
457L82.9Confident79.4Confident0 Ų036.1 Ų36.10%018%0.183CC..  trans-124.4125-173.9-170.972.4000109.6K414 L415 F427 N455 E461 I462K414-L457 HydrophobicContact CB-CD2 4.45Å; L415-L457 HydrophobicContact CD2-CD1 3.44Å; L415-L457 VanDerWaalsContact CD2-CD1 3.44Å; L415-L457 HydrophobicContact CG-CD1 3.86Å; F427-L457 HydrophobicContact CB-CD2 4.29Å; N455-L457 VanDerWaalsContact CG-O 3.28Å; N455-L457 PolarHBondContact ND2-O 3.01Å; N455-L457 WeakPolarHBondContact OD1-CB 3.37Å; N455-L457 PolarHBondContact OD1-N 2.93Å; N455-L457 PolarHBondContact OD1-O 2.84Å; L457-E461 WeakPolarHBondContact CA-OE2 3.46Å; L457-E461 HydrophobicContact CD1-CB 4.01Å; L457-I462 HydrophobicContact CD2-CD1 3.75Å; L457-I462 HydrophobicContact CD2-CG1 3.49Å; L457-I462 VanDerWaalsContact CD2-CG1 3.49Å; L457-I462 HydrophobicContact CG-CD1 4.22Å; L457-I462 HydrophobicContact CG-CG1 3.83Å
458S88Confident79.8Confident1 Ų139 Ų391%0.00720%0.2CC..  trans-88.3159176.8640000112.1H449 I460 E461 I462H449-S458 WeakPolarHBondContact O-CB 3.49Å; S458-I460 VanDerWaalsContact C-N 3.26Å; S458-I460 PolarHBondContact O-N 3.19Å; S458-I460 VanDerWaalsContact OG-CG2 3.3Å; S458-I460 WeakPolarHBondContact OG-CG2 3.38Å; S458-E461 PolarHBondContact N-OE2 3.04Å; S458-E461 WeakPolarHBondContact O-CB 3.34Å; S458-E461 PolarHBondContact O-N 2.91Å; S458-E461 VanDerWaalsContact OG-CD 3.24Å; S458-E461 WeakPolarHBondContact OG-CG 3.19Å; S458-E461 PolarHBondContact OG-N 3.28Å; S458-E461 PolarHBondContact OG-OE2 2.91Å; S458-I462 PolarHBondContact O-N 3.35Å
459M91Very high80.2Confident1 Ų132.4 Ų32.41%0.00517%0.172CC..Hα-helixtrans-62.4-36.8177.9-173.362.9173.300111.4F359 L431 I432 L442 L447 E461 I462 I463F359-M459 HydrophobicContact CB-CE 3.52Å; F359-M459 HydrophobicContact CD1-CE 3.72Å; F359-M459 HydrophobicContact CD2-CE 3.18Å; F359-M459 HydrophobicContact CD2-SD 4.39Å; F359-M459 HydrophobicContact CE1-CE 4.16Å; F359-M459 HydrophobicContact CE2-CE 3.68Å; F359-M459 HydrophobicContact CG-CE 3.17Å; F359-M459 HydrophobicContact CZ-CE 4.13Å; L431-M459 HydrophobicContact CD2-CB 3.73Å; L431-M459 HydrophobicContact CD2-SD 4.23Å; I432-M459 HydrophobicContact CD1-CE 4.44Å; L442-M459 HydrophobicContact CD1-CB 4.13Å; L442-M459 HydrophobicContact CD1-CG 4.04Å; L442-M459 HydrophobicContact CD2-CE 3.8Å; L442-M459 HydrophobicContact CD2-CG 4.06Å; L442-M459 HydrophobicContact CD2-SD 4.33Å; L447-M459 HydrophobicContact CD2-CB 3.97Å; L447-M459 HydrophobicContact CD2-CG 3.73Å; L447-M459 PolarHBondContact O-N 3.23Å; M459-E461 VanDerWaalsContact C-N 3.34Å; M459-E461 PolarHBondContact O-N 2.9Å; M459-I462 PolarHBondContact O-N 3.07Å; M459-I462 HydrophobicContact SD-CD1 4.48Å; M459-I463 HydrophobicContact CE-CD1 4.48Å; M459-I463 HydrophobicContact CG-CD1 4.14Å; M459-I463 WeakPolarHBondContact O-CG1 3.43Å; M459-I463 PolarHBondContact O-N 3.48Å
460I92Very high81.2Confident46 Ų4629 Ų2924%0.23616%0.157CC..Hα-helixtrans-66.5-33.5176.9-166.262.2000112.8L447 F448 S458 I463 A464L447-I460 WeakPolarHBondContact O-CG2 3.33Å; L447-I460 PolarHBondContact O-N 3.09Å; L447-I460 VanDerWaalsContact O-N 3.09Å; F448-I460 HydrophobicContact CD1-CB 4.35Å; F448-I460 HydrophobicContact CD1-CG1 4.31Å; F448-I460 HydrophobicContact CD1-CG2 3.69Å; F448-I460 HydrophobicContact CE1-CB 4.35Å; F448-I460 HydrophobicContact CE1-CG1 3.82Å; F448-I460 HydrophobicContact CE1-CG2 4.05Å; F448-I460 HydrophobicContact CG-CG2 4.2Å; F448-I460 HydrophobicContact CZ-CD1 4.47Å; F448-I460 HydrophobicContact CZ-CG1 4.06Å; S458-I460 VanDerWaalsContact C-N 3.26Å; S458-I460 PolarHBondContact O-N 3.19Å; S458-I460 VanDerWaalsContact OG-CG2 3.3Å; S458-I460 WeakPolarHBondContact OG-CG2 3.38Å; I460-I463 PolarHBondContact O-N 2.89Å; I460-A464 VanDerWaalsContact O-CB 3.27Å; I460-A464 WeakPolarHBondContact O-CB 3.38Å; I460-A464 PolarHBondContact O-N 3.29Å
461E91.8Very high82.7Confident28 Ų2828.5 Ų28.513%0.13116%0.157CC..Hα-helixtrans-65.8-40.4175.1-76.9167.117200111.2R411 L415 Q450 L457 S458 M459 A464 M465R411-E461 IonicContact CZ-OE1 3.79Å; R411-E461 IonicContact NE-OE1 3.54Å; R411-E461 IonicContact NE-OE2 3.76Å; R411-E461 IonicContact NH2-OE1 2.66Å; R411-E461 PolarHBondContact NH2-OE1 2.77Å; L415-E461 HydrophobicContact CD2-CB 4.25Å; Q450-E461 PolarHBondContact NE2-OE1 2.74Å; L457-E461 WeakPolarHBondContact CA-OE2 3.46Å; L457-E461 HydrophobicContact CD1-CB 4.01Å; S458-E461 PolarHBondContact N-OE2 3.04Å; S458-E461 WeakPolarHBondContact O-CB 3.34Å; S458-E461 PolarHBondContact O-N 2.91Å; S458-E461 VanDerWaalsContact OG-CD 3.24Å; S458-E461 WeakPolarHBondContact OG-CG 3.19Å; S458-E461 PolarHBondContact OG-N 3.28Å; S458-E461 PolarHBondContact OG-OE2 2.91Å; M459-E461 VanDerWaalsContact C-N 3.34Å; M459-E461 PolarHBondContact O-N 2.9Å; E461-A464 PolarHBondContact O-N 2.74Å; E461-M465 WeakPolarHBondContact O-CB 3.06Å; E461-M465 VanDerWaalsContact O-CG 3.3Å; E461-M465 WeakPolarHBondContact O-CG 3.44Å; E461-M465 PolarHBondContact O-N 2.86Å
462I92.9Very high84.6Confident0 Ų031.5 Ų31.50%017%0.169CC..Hα-helixtrans-62.1-47.6174.7-61.7170.1000110.1F359 A424 F427 L431 L457 S458 M459 A464 M465 L466F359-I462 HydrophobicContact CE2-CG2 4.11Å; A424-I462 HydrophobicContact CB-CG2 4.25Å; A424-I462 VanDerWaalsContact O-CG2 3.25Å; A424-I462 WeakPolarHBondContact O-CG2 3.38Å; F427-I462 HydrophobicContact CB-CD1 3.97Å; L431-I462 HydrophobicContact CD2-CD1 4.4Å; L457-I462 HydrophobicContact CD2-CD1 3.75Å; L457-I462 HydrophobicContact CD2-CG1 3.49Å; L457-I462 VanDerWaalsContact CD2-CG1 3.49Å; L457-I462 HydrophobicContact CG-CD1 4.22Å; L457-I462 HydrophobicContact CG-CG1 3.83Å; S458-I462 PolarHBondContact O-N 3.35Å; M459-I462 PolarHBondContact O-N 3.07Å; M459-I462 HydrophobicContact SD-CD1 4.48Å; I462-A464 VanDerWaalsContact C-N 3.34Å; I462-A464 PolarHBondContact O-N 2.75Å; I462-M465 PolarHBondContact O-N 3.49Å; I462-L466 WeakPolarHBondContact O-CG 3.34Å; I462-L466 PolarHBondContact O-N 3.44Å
463I94.1Very high86.4Confident3 Ų331.8 Ų31.82%0.01517%0.171CC..Hα-helixtrans-60.8-43.5177.2-68.8168.5000110.8F358 F359 V362 L447 M459 I460 L466 F467F358-I463 HydrophobicContact CD1-CD1 4.18Å; F358-I463 HydrophobicContact CE1-CD1 4.15Å; F358-I463 HydrophobicContact CE1-CG2 4.04Å; F359-I463 HydrophobicContact CD2-CG1 4.06Å; V362-I463 HydrophobicContact CG1-CG2 4.29Å; V362-I463 HydrophobicContact CG2-CG2 4.29Å; L447-I463 HydrophobicContact CD2-CD1 3.8Å; M459-I463 HydrophobicContact CE-CD1 4.48Å; M459-I463 HydrophobicContact CG-CD1 4.14Å; M459-I463 WeakPolarHBondContact O-CG1 3.43Å; M459-I463 PolarHBondContact O-N 3.48Å; I460-I463 PolarHBondContact O-N 2.89Å; I463-L466 WeakPolarHBondContact O-CB 3.47Å; I463-L466 PolarHBondContact O-N 3.11Å; I463-F467 HydrophobicContact CG2-CD2 4.06Å; I463-F467 HydrophobicContact CG2-CE2 3.8Å; I463-F467 VanDerWaalsContact O-CD2 3.26Å; I463-F467 WeakPolarHBondContact O-CD2 3.27Å; I463-F467 PolarHBondContact O-N 2.95Å; I463-F467 VanDerWaalsContact O-N 3.16Å
464A93.9Very high88.1Confident48 Ų4835 Ų3540%0.39719%0.188SC..Hα-helixtrans-62.6-42.517700000111.9I460 E461 I462 L466 F467 V468I460-A464 VanDerWaalsContact O-CB 3.27Å; I460-A464 WeakPolarHBondContact O-CB 3.38Å; I460-A464 PolarHBondContact O-N 3.29Å; E461-A464 PolarHBondContact O-N 2.74Å; I462-A464 VanDerWaalsContact C-N 3.34Å; I462-A464 PolarHBondContact O-N 2.75Å; A464-L466 VanDerWaalsContact C-N 3.34Å; A464-L466 PolarHBondContact O-N 3.45Å; A464-F467 WeakPolarHBondContact O-CB 3.42Å; A464-F467 PolarHBondContact O-N 3.3Å; A464-F467 VanDerWaalsContact O-N 3.16Å; A464-V468 WeakPolarHBondContact O-CG2 3.48Å; A464-V468 PolarHBondContact O-N 2.83Å
465M94.1Very high89.7Confident33 Ų3339 Ų3916%0.16321%0.21CC..Hα-helixtrans-62.7-38.6175.3-72.9-56.6-56.500112L415 C418 L419 E461 I462 F467 V468 D469L415-M465 HydrophobicContact CD2-CG 3.96Å; L415-M465 HydrophobicContact CD2-SD 4.43Å; L415-M465 WeakPolarHBondContact O-CE 3.42Å; C418-M465 HydrophobicContact CB-CB 3.71Å; C418-M465 HydrophobicContact CB-CG 3.9Å; L419-M465 HydrophobicContact CD2-CE 3.4Å; L419-M465 VanDerWaalsContact CD2-CE 3.4Å; L419-M465 HydrophobicContact CG-CE 3.63Å; E461-M465 WeakPolarHBondContact O-CB 3.06Å; E461-M465 VanDerWaalsContact O-CG 3.3Å; E461-M465 WeakPolarHBondContact O-CG 3.44Å; E461-M465 PolarHBondContact O-N 2.86Å; I462-M465 PolarHBondContact O-N 3.49Å; M465-F467 VanDerWaalsContact C-N 3.3Å; M465-F467 PolarHBondContact O-N 3.19Å; M465-V468 PolarHBondContact O-N 3.12Å; M465-D469 WeakPolarHBondContact O-CB 3.35Å; M465-D469 PolarHBondContact O-N 3.45Å
466L95Very high91.1Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-61.8-35.3173.7-70.6171.9000112.8F359 V362 Y363 M366 A424 I462 I463 A464 S470F359-L466 HydrophobicContact CD2-CD1 4.39Å; F359-L466 HydrophobicContact CE2-CD1 4.06Å; V362-L466 HydrophobicContact CG1-CB 3.86Å; V362-L466 HydrophobicContact CG1-CD1 4.34Å; Y363-L466 HydrophobicContact CD2-CD2 4.26Å; M366-L466 HydrophobicContact CE-CD2 3.58Å; M366-L466 HydrophobicContact CG-CD2 4.19Å; A424-L466 HydrophobicContact CB-CD2 3.75Å; A424-L466 HydrophobicContact CB-CG 4.19Å; I462-L466 WeakPolarHBondContact O-CG 3.34Å; I462-L466 PolarHBondContact O-N 3.44Å; I463-L466 WeakPolarHBondContact O-CB 3.47Å; I463-L466 PolarHBondContact O-N 3.11Å; A464-L466 VanDerWaalsContact C-N 3.34Å; A464-L466 PolarHBondContact O-N 3.45Å; L466-S470 PolarHBondContact O-N 2.62Å; L466-S470 PolarHBondContact O-OG 2.85Å
467F94.5Very high91.8Very high99 Ų9938.8 Ų38.843%0.43421%0.209SC..Hα-helixtrans-68.7-44.1172.4-81.7-69.8000112.3V362 I463 A464 M465 D469 S470 I471V362-F467 HydrophobicContact CB-CE2 4.44Å; V362-F467 HydrophobicContact CB-CZ 4.46Å; V362-F467 HydrophobicContact CG1-CD2 3.98Å; V362-F467 HydrophobicContact CG1-CE1 4.39Å; V362-F467 HydrophobicContact CG1-CE2 3.74Å; V362-F467 HydrophobicContact CG1-CG 4.41Å; V362-F467 HydrophobicContact CG1-CZ 3.96Å; V362-F467 HydrophobicContact CG2-CE2 3.75Å; V362-F467 HydrophobicContact CG2-CZ 3.64Å; I463-F467 HydrophobicContact CG2-CD2 4.06Å; I463-F467 HydrophobicContact CG2-CE2 3.8Å; I463-F467 VanDerWaalsContact O-CD2 3.26Å; I463-F467 WeakPolarHBondContact O-CD2 3.27Å; I463-F467 PolarHBondContact O-N 2.95Å; I463-F467 VanDerWaalsContact O-N 3.16Å; A464-F467 WeakPolarHBondContact O-CB 3.42Å; A464-F467 PolarHBondContact O-N 3.3Å; A464-F467 VanDerWaalsContact O-N 3.16Å; M465-F467 VanDerWaalsContact C-N 3.3Å; M465-F467 PolarHBondContact O-N 3.19Å; F467-D469 VanDerWaalsContact C-N 3.3Å; F467-D469 PolarHBondContact O-N 3.47Å; F467-S470 VanDerWaalsContact O-CB 3.32Å; F467-S470 WeakPolarHBondContact O-CB 3.34Å; F467-S470 PolarHBondContact O-N 3.18Å; F467-I471 WeakPolarHBondContact O-CG1 3.26Å; F467-I471 PolarHBondContact O-N 2.66Å; F467-I471 VanDerWaalsContact O-N 3.11Å
468V94.4Very high91.9Very high64 Ų6446.5 Ų46.539%0.38824%0.238SC..Hα-helixtrans-57.9-45.6174.9171.90000110.3L419 A464 M465 S470 I471 I472L419-V468 HydrophobicContact CD2-CG1 4.37Å; A464-V468 WeakPolarHBondContact O-CG2 3.48Å; A464-V468 PolarHBondContact O-N 2.83Å; M465-V468 PolarHBondContact O-N 3.12Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 3.42Å; V468-I471 PolarHBondContact O-N 2.67Å; V468-I471 VanDerWaalsContact O-N 3.15Å; V468-I472 HydrophobicContact CG1-CD1 3.84Å; V468-I472 HydrophobicContact CG1-CG1 4.47Å; V468-I472 WeakPolarHBondContact O-CG1 3.49Å; V468-I472 PolarHBondContact O-N 3.4Å
469D92.5Very high91.7Very high12 Ų1251.2 Ų51.26%0.06426%0.257CS..Hα-helixtrans-60.5-39.6177-120.919.4000112.3M366 L419 A421 M465 F467 I471 I472 C473M366-D469 HydrophobicContact CG-CB 4.09Å; L419-D469 VanDerWaalsContact C-OD2 3.24Å; L419-D469 WeakPolarHBondContact CA-OD1 3.24Å; L419-D469 VanDerWaalsContact O-OD1 3.08Å; A421-D469 PolarHBondContact N-OD2 3.5Å; M465-D469 WeakPolarHBondContact O-CB 3.35Å; M465-D469 PolarHBondContact O-N 3.45Å; F467-D469 VanDerWaalsContact C-N 3.3Å; F467-D469 PolarHBondContact O-N 3.47Å; D469-I471 VanDerWaalsContact C-N 3.34Å; D469-I471 PolarHBondContact O-N 3.43Å; D469-I472 PolarHBondContact O-N 2.93Å; D469-C473 WeakPolarHBondContact O-CB 3.45Å; D469-C473 PolarHBondContact O-N 3.09Å; D469-C473 PolarHBondContact O-SG 2.77Å
470S93.4Very high91.2Very high12 Ų1252.2 Ų52.28%0.08426%0.263CS..Hα-helixtrans-60-44175.6-61.20000111.7M366 L466 F467 V468 C473 I474M366-S470 VanDerWaalsContact CA-OG 3.26Å; M366-S470 WeakPolarHBondContact CA-OG 3.45Å; M366-S470 VanDerWaalsContact CB-OG 3.23Å; M366-S470 WeakPolarHBondContact CB-OG 3.49Å; L466-S470 PolarHBondContact O-N 2.62Å; L466-S470 PolarHBondContact O-OG 2.85Å; F467-S470 VanDerWaalsContact O-CB 3.32Å; F467-S470 WeakPolarHBondContact O-CB 3.34Å; F467-S470 PolarHBondContact O-N 3.18Å; V468-S470 VanDerWaalsContact C-N 3.3Å; V468-S470 PolarHBondContact O-N 3.42Å; S470-C473 PolarHBondContact O-N 3.42Å; S470-I474 VanDerWaalsContact O-CG1 3.32Å; S470-I474 WeakPolarHBondContact O-CG1 3.37Å; S470-I474 PolarHBondContact O-N 3.17Å
471I93.9Very high90.5Very high104 Ų10452.3 Ų52.353%0.53326%0.262SS..Hα-helixtrans-64.7-47.4177.5-65168.6000110.2F467 V468 D469 C473 I474 L475F467-I471 WeakPolarHBondContact O-CG1 3.26Å; F467-I471 PolarHBondContact O-N 2.66Å; F467-I471 VanDerWaalsContact O-N 3.11Å; V468-I471 PolarHBondContact O-N 2.67Å; V468-I471 VanDerWaalsContact O-N 3.15Å; D469-I471 VanDerWaalsContact C-N 3.34Å; D469-I471 PolarHBondContact O-N 3.43Å; I471-C473 VanDerWaalsContact C-N 3.33Å; I471-C473 PolarHBondContact O-N 3.18Å; I471-I474 PolarHBondContact O-N 3.07Å; I471-L475 HydrophobicContact CG2-CD1 3.91Å; I471-L475 HydrophobicContact CG2-CG 4.34Å; I471-L475 WeakPolarHBondContact O-CB 3.49Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.09Å
472I92.5Very high89.6Confident80 Ų8053.8 Ų53.841%0.4127%0.273SS..Hα-helixtrans-57.9-46.6177.9-67.6169000110.4L419 V468 D469 I474 L475 L476L419-I472 HydrophobicContact CD2-CD1 3.91Å; V468-I472 HydrophobicContact CG1-CD1 3.84Å; V468-I472 HydrophobicContact CG1-CG1 4.47Å; V468-I472 WeakPolarHBondContact O-CG1 3.49Å; V468-I472 PolarHBondContact O-N 3.4Å; D469-I472 PolarHBondContact O-N 2.93Å; I472-I474 PolarHBondContact O-N 3.06Å; I472-L475 PolarHBondContact O-N 3.27Å; I472-L476 VanDerWaalsContact O-CB 3.32Å; I472-L476 WeakPolarHBondContact O-CB 3.24Å; I472-L476 PolarHBondContact O-N 3.45Å
473C92.5Very high88.3Confident14 Ų1454.6 Ų54.610%0.09528%0.278CS..Hα-helixtrans-62.2-42.1179.1-75.90000112.8C369 A373 D469 S470 I471 L476 A477C369-C473 HydrophobicContact CB-CB 3.88Å; A373-C473 HydrophobicContact CB-CB 3.88Å; A373-C473 WeakPolarHBondContact CB-O 3.41Å; D469-C473 WeakPolarHBondContact O-CB 3.45Å; D469-C473 PolarHBondContact O-N 3.09Å; D469-C473 PolarHBondContact O-SG 2.77Å; S470-C473 PolarHBondContact O-N 3.42Å; I471-C473 VanDerWaalsContact C-N 3.33Å; I471-C473 PolarHBondContact O-N 3.18Å; C473-L476 PolarHBondContact O-N 3.35Å; C473-A477 WeakPolarHBondContact O-CB 3.44Å; C473-A477 PolarHBondContact O-N 3.08Å
474I91.6Very high86.9Confident90 Ų9058 Ų5846%0.46229%0.291SS..Hα-helixtrans-65.7-44.8176.8-70.9168.4000110.7C369 S470 I471 I472 L476 A477 W478C369-I474 HydrophobicContact CB-CG1 4.16Å; S470-I474 VanDerWaalsContact O-CG1 3.32Å; S470-I474 WeakPolarHBondContact O-CG1 3.37Å; S470-I474 PolarHBondContact O-N 3.17Å; I471-I474 PolarHBondContact O-N 3.07Å; I472-I474 PolarHBondContact O-N 3.06Å; I474-L476 VanDerWaalsContact C-N 3.33Å; I474-L476 PolarHBondContact O-N 3.1Å; I474-A477 PolarHBondContact O-N 3.39Å; I474-W478 WeakPolarHBondContact O-CB 3.32Å; I474-W478 PolarHBondContact O-N 3.31Å
475L90.7Very high85Confident97 Ų9759 Ų5951%0.50829%0.294SS..Hα-helixtrans-62.8-41.3177.5-71.6175.8000111.4I471 I472 W478 Y479I471-L475 HydrophobicContact CG2-CD1 3.91Å; I471-L475 HydrophobicContact CG2-CG 4.34Å; I471-L475 WeakPolarHBondContact O-CB 3.49Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.09Å; I472-L475 PolarHBondContact O-N 3.27Å; L475-W478 PolarHBondContact O-N 3.24Å; L475-Y479 WeakPolarHBondContact O-CB 3.34Å; L475-Y479 PolarHBondContact O-N 2.89Å
476L89.3Confident82.9Confident72 Ų7260.6 Ų60.638%0.37730%0.302SS..Hα-helixtrans-61.8-47.6174.7-168.188000111A373 F377 I472 C473 I474 W478 Y479 V480A373-L476 HydrophobicContact CB-CD2 3.93Å; F377-L476 HydrophobicContact CE2-CD2 3.59Å; F377-L476 HydrophobicContact CE2-CG 4.28Å; F377-L476 HydrophobicContact CZ-CD1 4.46Å; F377-L476 HydrophobicContact CZ-CD2 3.88Å; F377-L476 HydrophobicContact CZ-CG 4.2Å; I472-L476 VanDerWaalsContact O-CB 3.32Å; I472-L476 WeakPolarHBondContact O-CB 3.24Å; I472-L476 PolarHBondContact O-N 3.45Å; C473-L476 PolarHBondContact O-N 3.35Å; I474-L476 VanDerWaalsContact C-N 3.33Å; I474-L476 PolarHBondContact O-N 3.1Å; L476-W478 VanDerWaalsContact C-N 3.34Å; L476-W478 PolarHBondContact O-N 3.11Å; L476-Y479 PolarHBondContact O-N 2.71Å; L476-V480 HydrophobicContact CG-CG2 4.48Å; L476-V480 WeakPolarHBondContact O-CB 3.29Å; L476-V480 VanDerWaalsContact O-CG2 3.26Å; L476-V480 WeakPolarHBondContact O-CG2 3.2Å; L476-V480 PolarHBondContact O-N 2.99Å
477A87.5Confident80.6Confident10 Ų1064.4 Ų64.48%0.08332%0.322CS..Hα-helixtrans-59.7-46.1177.800000111.3F372 C473 I474 E481F372-A477 HydrophobicContact CB-CB 4.09Å; C473-A477 WeakPolarHBondContact O-CB 3.44Å; C473-A477 PolarHBondContact O-N 3.08Å; I474-A477 PolarHBondContact O-N 3.39Å; A477-E481 VanDerWaalsContact O-CB 3.29Å; A477-E481 WeakPolarHBondContact O-CB 3.45Å; A477-E481 VanDerWaalsContact O-CG 3.28Å; A477-E481 WeakPolarHBondContact O-CG 3.32Å; A477-E481 PolarHBondContact O-N 2.69Å
478W85.1Confident78.3Confident162 Ų16265.5 Ų65.561%0.61434%0.337SS*.Hα-helixtrans-63.6-46.8178.1176.868.9000111.9I474 L475 L476 E481 T482I474-W478 WeakPolarHBondContact O-CB 3.32Å; I474-W478 PolarHBondContact O-N 3.31Å; L475-W478 PolarHBondContact O-N 3.24Å; L476-W478 VanDerWaalsContact C-N 3.34Å; L476-W478 PolarHBondContact O-N 3.11Å; W478-E481 PolarHBondContact O-N 3.21Å; W478-T482 WeakPolarHBondContact O-CB 3.41Å; W478-T482 WeakPolarHBondContact O-CG2 3.32Å; W478-T482 PolarHBondContact O-N 3.39Å; W478-T482 PolarHBondContact O-OG1 3.29Å
479Y83.2Confident76Confident101 Ų10165.4 Ų65.440%0.39634%0.339SS..Hα-helixtrans-61-49.6178.1178.5-102.2000111.8L475 L476 E481 T482 V483 I496L475-Y479 WeakPolarHBondContact O-CB 3.34Å; L475-Y479 PolarHBondContact O-N 2.89Å; L476-Y479 PolarHBondContact O-N 2.71Å; Y479-E481 PolarHBondContact O-N 2.96Å; Y479-T482 WeakPolarHBondContact CA-OG1 3.48Å; Y479-T482 PolarHBondContact O-N 3.15Å; Y479-T482 PolarHBondContact O-OG1 3.27Å; Y479-V483 HydrophobicContact CD2-CG2 4.03Å; Y479-V483 HydrophobicContact CE1-CG2 4.27Å; Y479-V483 HydrophobicContact CE2-CG2 3.73Å; Y479-V483 HydrophobicContact CG-CG2 4.43Å; Y479-V483 WeakPolarHBondContact O-CB 3.33Å; Y479-V483 VanDerWaalsContact O-CG2 3.26Å; Y479-V483 WeakPolarHBondContact O-CG2 3.42Å; Y479-V483 PolarHBondContact O-N 3.4Å; Y479-I496 VanDerWaalsContact OH-CG2 3.28Å; Y479-I496 WeakPolarHBondContact OH-CG2 3.43Å
480V81Confident73.6Confident22 Ų2265.5 Ų65.513%0.13334%0.343CS..Hα-helixtrans-65.8-41.4-179.6174.80000111.4S376 F377 L476 T482 R484S376-V480 WeakPolarHBondContact O-CG1 3.34Å; S376-V480 WeakPolarHBondContact OG-CB 3.32Å; S376-V480 WeakPolarHBondContact OG-CG1 3.42Å; F377-V480 HydrophobicContact CD1-CG1 4.21Å; F377-V480 HydrophobicContact CD1-CG2 4.4Å; F377-V480 HydrophobicContact CE1-CG1 4.3Å; F377-V480 HydrophobicContact CE1-CG2 3.7Å; F377-V480 HydrophobicContact CE2-CG2 4.28Å; F377-V480 HydrophobicContact CZ-CG2 3.63Å; L476-V480 HydrophobicContact CG-CG2 4.48Å; L476-V480 WeakPolarHBondContact O-CB 3.29Å; L476-V480 VanDerWaalsContact O-CG2 3.26Å; L476-V480 WeakPolarHBondContact O-CG2 3.2Å; L476-V480 PolarHBondContact O-N 2.99Å; V480-T482 VanDerWaalsContact C-N 3.32Å; V480-T482 PolarHBondContact O-N 3.05Å; V480-R484 WeakPolarHBondContact O-CB 3.32Å; V480-R484 PolarHBondContact O-N 3.1Å
481E76.7Confident71Confident47 Ų4768.6 Ų68.622%0.2236%0.356CS..Hα-helixtrans-68.3-30.4178.4-75.1-163.2163.100113.5K297 R302 A477 W478 Y479 P485K297-E481 WeakPolarHBondContact CE-OE1 3.47Å; K297-E481 IonicContact NZ-OE1 2.84Å; K297-E481 PolarHBondContact NZ-OE1 2.99Å; R302-E481 IonicContact CZ-OE2 3.79Å; R302-E481 VanDerWaalsContact CZ-OE2 3.25Å; R302-E481 IonicContact NH1-OE1 3.67Å; R302-E481 PolarHBondContact NH1-OE1 3.26Å; R302-E481 IonicContact NH1-OE2 3.59Å; R302-E481 PolarHBondContact NH1-OE2 3.03Å; R302-E481 IonicContact NH2-OE2 2.75Å; R302-E481 PolarHBondContact NH2-OE2 3.17Å; A477-E481 VanDerWaalsContact O-CB 3.29Å; A477-E481 WeakPolarHBondContact O-CB 3.45Å; A477-E481 VanDerWaalsContact O-CG 3.28Å; A477-E481 WeakPolarHBondContact O-CG 3.32Å; A477-E481 PolarHBondContact O-N 2.69Å; W478-E481 PolarHBondContact O-N 3.21Å; Y479-E481 PolarHBondContact O-N 2.96Å; E481-P485 WeakPolarHBondContact O-CD 3.32Å
482T72.5Confident68.3Low60 Ų6066.9 Ų66.937%0.36835%0.353SS..Hα-helixtrans-78.2-41.8176.951.20000111.8W478 Y479 V480 P485 L486W478-T482 WeakPolarHBondContact O-CB 3.41Å; W478-T482 WeakPolarHBondContact O-CG2 3.32Å; W478-T482 PolarHBondContact O-N 3.39Å; W478-T482 PolarHBondContact O-OG1 3.29Å; Y479-T482 WeakPolarHBondContact CA-OG1 3.48Å; Y479-T482 PolarHBondContact O-N 3.15Å; Y479-T482 PolarHBondContact O-OG1 3.27Å; V480-T482 VanDerWaalsContact C-N 3.32Å; V480-T482 PolarHBondContact O-N 3.05Å; T482-P485 WeakPolarHBondContact O-CD 3.43Å; T482-L486 WeakPolarHBondContact O-CD1 3.35Å
483V66.2Low65.8Low17 Ų1769.1 Ų69.110%0.10337%0.366CS..Hα-helixtrans-75.9-34.7-176.7174.20000113Y479 L486 L487 I496Y479-V483 HydrophobicContact CD2-CG2 4.03Å; Y479-V483 HydrophobicContact CE1-CG2 4.27Å; Y479-V483 HydrophobicContact CE2-CG2 3.73Å; Y479-V483 HydrophobicContact CG-CG2 4.43Å; Y479-V483 WeakPolarHBondContact O-CB 3.33Å; Y479-V483 VanDerWaalsContact O-CG2 3.26Å; Y479-V483 WeakPolarHBondContact O-CG2 3.42Å; Y479-V483 PolarHBondContact O-N 3.4Å; V483-L486 WeakPolarHBondContact O-CB 3.33Å; V483-L486 PolarHBondContact O-N 3.49Å; V483-L486 VanDerWaalsContact O-N 3.1Å; V483-L487 HydrophobicContact CG1-CD1 4.01Å; V483-L487 PolarHBondContact O-N 2.78Å; V483-I496 HydrophobicContact CG1-CD1 4.04Å; V483-I496 HydrophobicContact CG1-CG1 4.32Å; V483-I496 HydrophobicContact CG1-CG2 3.88Å; V483-I496 HydrophobicContact CG2-CG2 4.1Å
484R64.1Low63.4Low73 Ų7375.9 Ų75.928%0.27540%0.4SS..Hα-helixtrans-61.1-42.4-173-168.3-179.4-156.9178.84.4115.1S376 F377 F378 N379 V480 L486 L487 V488S376-R484 PolarHBondContact O-NH1 2.74Å; F377-R484 PolarHBondContact O-NH1 3.28Å; F377-R484 PolarHBondContact O-NH2 2.95Å; F378-R484 PolarHBondContact O-NH1 3.22Å; N379-R484 VanDerWaalsContact OD1-CZ 3.25Å; N379-R484 PolarHBondContact OD1-NH1 3.15Å; V480-R484 WeakPolarHBondContact O-CB 3.32Å; V480-R484 PolarHBondContact O-N 3.1Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.78Å; R484-L487 PolarHBondContact O-N 2.86Å; R484-V488 PolarHBondContact O-N 3.45Å
485P53.7Low60.9Low71 Ų7176.4 Ų76.446%0.46140%0.399SS..Hα-helixtrans-63.8-30.4174.5-20.532.4000113.4E481 T482 V488 S489E481-P485 WeakPolarHBondContact O-CD 3.32Å; T482-P485 WeakPolarHBondContact O-CD 3.43Å; P485-V488 PolarHBondContact O-N 2.99Å; P485-S489 WeakPolarHBondContact O-CB 3.48Å; P485-S489 PolarHBondContact O-N 2.72Å; P485-S489 VanDerWaalsContact O-N 3.1Å; P485-S489 PolarHBondContact O-OG 3.09Å
486L50.4Low58.8Low65 Ų6572.9 Ų72.934%0.3438%0.38SS..Hα-helixtrans-65.5-40.2176-82.477.6000110.9T482 V483 R484 S489 G490 Q491T482-L486 WeakPolarHBondContact O-CD1 3.35Å; V483-L486 WeakPolarHBondContact O-CB 3.33Å; V483-L486 PolarHBondContact O-N 3.49Å; V483-L486 VanDerWaalsContact O-N 3.1Å; R484-L486 VanDerWaalsContact C-N 3.27Å; R484-L486 PolarHBondContact O-N 2.78Å; L486-S489 PolarHBondContact O-N 3.41Å; L486-G490 PolarHBondContact O-N 3.5Å; L486-Q491 HydrophobicContact CB-CB 4.43Å; L486-Q491 WeakPolarHBondContact O-CB 3.39Å; L486-Q491 PolarHBondContact O-N 3.47Å; L486-Q491 VanDerWaalsContact O-N 3.15Å
487L46.9Very low56.8Low81 Ų8178.1 Ų78.142%0.42440%0.4SS..Hα-helixtrans-64.6-44175.8-75.8157.9000112.4V483 R484 S489 G490 L493 I496V483-L487 HydrophobicContact CG1-CD1 4.01Å; V483-L487 PolarHBondContact O-N 2.78Å; R484-L487 PolarHBondContact O-N 2.86Å; L487-S489 PolarHBondContact O-N 3.45Å; L487-G490 PolarHBondContact O-N 3.42Å; L487-G490 VanDerWaalsContact O-N 3.13Å; L487-L493 HydrophobicContact CD2-CD2 4.04Å; L487-L493 HydrophobicContact CD2-CG 4.5Å; L487-I496 HydrophobicContact CD2-CD1 4.28Å
488V46.5Very low54.7Low122 Ų12283 Ų8374%0.73943%0.425SS*.Hα-helixtrans-65.5-28.5177.3177.30000111.8R484 P485 G490R484-V488 PolarHBondContact O-N 3.45Å; P485-V488 PolarHBondContact O-N 2.99Å; V488-G490 PolarHBondContact O-N 3.27Å
489S45.2Very low52.6Low62 Ų6280.1 Ų80.143%0.43443%0.427SS..THydrogen-bonded Turntrans-82.27176.4-56.40000113.9P485 L486 L487P485-S489 WeakPolarHBondContact O-CB 3.48Å; P485-S489 PolarHBondContact O-N 2.72Å; P485-S489 VanDerWaalsContact O-N 3.1Å; P485-S489 PolarHBondContact O-OG 3.09Å; L486-S489 PolarHBondContact O-N 3.41Å; L487-S489 PolarHBondContact O-N 3.45Å
490G41.9Very low50.5Low14 Ų1482.7 Ų82.714%0.14445%0.446CS..THydrogen-bonded Turntrans7038.9177.700000113.7L486 L487 V488 R510L486-G490 PolarHBondContact O-N 3.5Å; L487-G490 PolarHBondContact O-N 3.42Å; L487-G490 VanDerWaalsContact O-N 3.13Å; V488-G490 PolarHBondContact O-N 3.27Å; G490-R510 PolarHBondContact O-NH2 3.42Å
491Q39Very low48.4Very low77 Ų7789.2 Ų89.236%0.3647%0.472SS..  trans-89.5133.7169.4-62.4-166.5-2.100110.6L486L486-Q491 HydrophobicContact CB-CB 4.43Å; L486-Q491 WeakPolarHBondContact O-CB 3.39Å; L486-Q491 PolarHBondContact O-N 3.47Å; L486-Q491 VanDerWaalsContact O-N 3.15Å
492S38.3Very low46.3Very low68 Ų6891.7 Ų91.748%0.47649%0.487SS..  trans-59.4138.6179.4167.10000112.4L494 K495S492-L494 PolarHBondContact O-N 3.19Å; S492-L494 VanDerWaalsContact O-N 3.1Å; S492-L494 PolarHBondContact OG-N 2.86Å; S492-K495 PolarHBondContact O-N 3.46Å; S492-K495 VanDerWaalsContact O-N 3.1Å
493L40.4Very low44.9Very low127 Ų12799.6 Ų99.667%0.66551%0.51SS*.G310 helixtrans-50.8-30.8175.9-77.3158.9000113.4L487 K495 I496L487-L493 HydrophobicContact CD2-CD2 4.04Å; L487-L493 HydrophobicContact CD2-CG 4.5Å; L493-K495 PolarHBondContact O-N 3.2Å; L493-I496 HydrophobicContact CB-CD1 4.34Å; L493-I496 HydrophobicContact CD2-CD1 3.68Å; L493-I496 HydrophobicContact CG-CD1 4.4Å; L493-I496 WeakPolarHBondContact O-CB 3.29Å; L493-I496 WeakPolarHBondContact O-CG1 3.45Å; L493-I496 PolarHBondContact O-N 3.22Å
494L41.5Very low43.5Very low156 Ų156107.6 Ų107.682%0.81754%0.544SS*.G310 helixtrans-67.1-15.7-178.9-89.5149.7000114.2S492S492-L494 PolarHBondContact O-N 3.19Å; S492-L494 VanDerWaalsContact O-N 3.1Å; S492-L494 PolarHBondContact OG-N 2.86Å
495K39.2Very low42.2Very low101 Ų101109.8 Ų109.844%0.43956%0.56SS.*G310 helixtrans-96.12.8179.9-65.9-177.5177.3-166.20114S492 L493 F506S492-K495 PolarHBondContact O-N 3.46Å; S492-K495 VanDerWaalsContact O-N 3.1Å; L493-K495 PolarHBondContact O-N 3.2Å; K495-F506 HydrophobicContact CD-CD1 3.87Å; K495-F506 HydrophobicContact CD-CE1 3.44Å; K495-F506 VanDerWaalsContact CD-CE1 3.44Å; K495-F506 HydrophobicContact CD-CZ 4.32Å; K495-F506 VanDerWaalsContact CE-CE1 3.49Å; K495-F506 HydrophobicContact CG-CE1 3.96Å; K495-F506 HydrophobicContact CG-CZ 4.4Å
496I47Very low41.6Very low22 Ų22111 Ų11111%0.11356%0.558CS.*THydrogen-bonded Turntrans-76.7-27-172.1-66.1177.7000113.2Y479 V483 L487 L493 L498 P499Y479-I496 VanDerWaalsContact OH-CG2 3.28Å; Y479-I496 WeakPolarHBondContact OH-CG2 3.43Å; V483-I496 HydrophobicContact CG1-CD1 4.04Å; V483-I496 HydrophobicContact CG1-CG1 4.32Å; V483-I496 HydrophobicContact CG1-CG2 3.88Å; V483-I496 HydrophobicContact CG2-CG2 4.1Å; L487-I496 HydrophobicContact CD2-CD1 4.28Å; L493-I496 HydrophobicContact CB-CD1 4.34Å; L493-I496 HydrophobicContact CD2-CD1 3.68Å; L493-I496 HydrophobicContact CG-CD1 4.4Å; L493-I496 WeakPolarHBondContact O-CB 3.29Å; L493-I496 WeakPolarHBondContact O-CG1 3.45Å; L493-I496 PolarHBondContact O-N 3.22Å; I496-L498 PolarHBondContact O-N 2.98Å; I496-P499 VanDerWaalsContact O-CD 3.29Å; I496-P499 WeakPolarHBondContact O-CD 3.4Å
497F45.9Very low41.3Very low183 Ų183113.3 Ų113.380%0.80357%0.571SS**THydrogen-bonded Turntrans-81.7-6.6-174.7-75.6-79.1000115.3
498L44.7Very low40.8Very low113 Ų113119.6 Ų119.659%0.59259%0.589SS**  trans-11812.8-167.7-88.6159.7000119I496 I500 F501I496-L498 PolarHBondContact O-N 2.98Å; L498-I500 PolarHBondContact O-N 3Å; L498-F501 PolarHBondContact O-N 3.46Å
499P39.8Very low40.3Very low101 Ų101119.3 Ų119.366%0.65658%0.583SS**THydrogen-bonded Turntrans-81.420.5-172.135.8-35.5000115.1I496 F501I496-P499 VanDerWaalsContact O-CD 3.29Å; I496-P499 WeakPolarHBondContact O-CD 3.4Å; P499-F501 VanDerWaalsContact C-N 3.34Å
500I40.8Very low40Very low155 Ų155121.5 Ų121.580%0.79558%0.582SS**THydrogen-bonded Turntrans-79-21.8163.4-59.3176.3000110.5L498L498-I500 PolarHBondContact O-N 3Å
501F35.6Very low40.1Very low159 Ų159123.2 Ų123.270%0.69759%0.592SS**SBendtrans-115.8108.8-177.8-79.7-90000113L498 P499L498-F501 PolarHBondContact O-N 3.46Å; P499-F501 VanDerWaalsContact C-N 3.34Å
502N33.6Very low40.3Very low99 Ų99122.4 Ų122.453%0.52960%0.595SS.*  trans5991.5158.8-86.5-28.6000120K504 L505N502-K504 PolarHBondContact O-N 3.28Å; N502-L505 HydrophobicContact CB-CD1 4.07Å; N502-L505 PolarHBondContact O-N 2.99Å
503R41.8Very low40.6Very low225 Ų225129.4 Ų129.485%0.84961%0.611SS**Hα-helixtrans-50.8-31.2162-132.5176.1-178-173.6-3114.1
504K37.4Very low41Very low186 Ų186125.8 Ų125.881%0.80959%0.591SS**Hα-helixtrans-72.7-24.5-176.3-75-174.4175.5-177.90114.7N502N502-K504 PolarHBondContact O-N 3.28Å
505L37.4Very low41.2Very low119 Ų119123.1 Ų123.162%0.62358%0.577SS**Hα-helixtrans-83.4-23.6-176.3-101.5140.4000113.1N502N502-L505 HydrophobicContact CB-CD1 4.07Å; N502-L505 PolarHBondContact O-N 2.99Å
506F40.1Very low41.6Very low96 Ų96125.4 Ų125.442%0.42160%0.595SS.*Hα-helixtrans-87.1-29.5-175-89.9-75.3000115K495K495-F506 HydrophobicContact CD-CD1 3.87Å; K495-F506 HydrophobicContact CD-CE1 3.44Å; K495-F506 VanDerWaalsContact CD-CE1 3.44Å; K495-F506 HydrophobicContact CD-CZ 4.32Å; K495-F506 VanDerWaalsContact CE-CE1 3.49Å; K495-F506 HydrophobicContact CG-CE1 3.96Å; K495-F506 HydrophobicContact CG-CZ 4.4Å
507D44.6Very low41.6Very low114 Ų114127.6 Ų127.661%0.6162%0.622SS**Hα-helixtrans-70.5-33-179.9-89.1-23.4000112.7N509 R510D507-N509 PolarHBondContact O-N 3Å; D507-R510 PolarHBondContact O-N 3.38Å
508R35.6Very low41.6Very low213 Ų213121.8 Ų121.880%0.80460%0.599SS**Hα-helixtrans-65.5-35.2-177.8-113.2-179167.5-178.8-4.4113.8R510R508-R510 PolarHBondContact O-N 2.94Å
509N37.7Very low41.6Very low115 Ų115121.6 Ų121.662%0.61561%0.605SS**Hα-helixtrans-80-10.9-177-79.6-7.6000114.4D507 S512D507-N509 PolarHBondContact O-N 3Å; N509-S512 PolarHBondContact O-OG 3.18Å
510R38.5Very low41.5Very low109 Ų109124.8 Ų124.841%0.41162%0.615SS.*Hα-helixtrans-94.6-33.1176.3-132.6-177.2-165.9-175.34.1112.4G490 D507 R508 S512 I514G490-R510 PolarHBondContact O-NH2 3.42Å; D507-R510 PolarHBondContact O-N 3.38Å; R508-R510 PolarHBondContact O-N 2.94Å; R510-S512 VanDerWaalsContact C-N 3.29Å; R510-S512 PolarHBondContact O-N 3.16Å; R510-I514 WeakPolarHBondContact O-CG1 3.26Å; R510-I514 PolarHBondContact O-N 3.15Å
511S43.8Very low41.5Very low50 Ų50121 Ų12135%0.3560%0.601SS.*Hα-helixtrans-58.7-40.7170.5-870000111.7L515S511-L515 WeakPolarHBondContact O-CD1 3.41Å; S511-L515 PolarHBondContact O-N 3.03Å
512S43.4Very low42Very low59 Ų59117.7 Ų117.741%0.41360%0.603SS.*Hα-helixtrans-65.7-46.7-178.358.70000113.4N509 R510 I514 L515N509-S512 PolarHBondContact O-OG 3.18Å; R510-S512 VanDerWaalsContact C-N 3.29Å; R510-S512 PolarHBondContact O-N 3.16Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 3.3Å; S512-L515 PolarHBondContact O-N 3.31Å
513R44.3Very low42.3Very low216 Ų216121.9 Ų121.982%0.81562%0.619SS**Hα-helixtrans-72.4-20.3-177.5-74.3-172.6-175176.51.1115.4
514I49.1Very low42.6Very low50 Ų50116.5 Ų116.526%0.25661%0.608SS.*Hα-helixtrans-85.8-25.9174.8-62.1172.9000110.3R510 S512 D516 L518 N596 V597R510-I514 WeakPolarHBondContact O-CG1 3.26Å; R510-I514 PolarHBondContact O-N 3.15Å; S512-I514 VanDerWaalsContact C-N 3.35Å; S512-I514 PolarHBondContact O-N 3.3Å; I514-D516 PolarHBondContact O-N 3Å; I514-L518 HydrophobicContact CG2-CD1 4.46Å; I514-L518 WeakPolarHBondContact O-CG 3.38Å; I514-N596 HydrophobicContact CD1-CB 4.33Å; I514-V597 HydrophobicContact CB-CG2 4.24Å; I514-V597 HydrophobicContact CG2-CG2 3.97Å
515L45.7Very low43.4Very low100 Ų100109.5 Ų109.552%0.52459%0.588SS.*Hα-helixtrans-67.7-30.4-179.5-112.985.1000113.8S511 S512 G517 L518 V597S511-L515 WeakPolarHBondContact O-CD1 3.41Å; S511-L515 PolarHBondContact O-N 3.03Å; S512-L515 PolarHBondContact O-N 3.31Å; L515-G517 PolarHBondContact O-N 3.24Å; L515-L518 PolarHBondContact O-N 3.23Å; L515-V597 HydrophobicContact CD1-CG1 4.11Å
516D46.6Very low44.6Very low150 Ų150112.1 Ų112.180%0.80260%0.597SS**THydrogen-bonded Turntrans-68.38.8-170.3-68.8-24.1000115.9I514I514-D516 PolarHBondContact O-N 3Å
517G48.4Very low46.2Very low67 Ų67110.2 Ų110.269%0.69159%0.591SS**THydrogen-bonded Turntrans-151.617.5178.100000115.7L515L515-G517 PolarHBondContact O-N 3.24Å
518L45.9Very low47.8Very low62 Ų62107.1 Ų107.133%0.32557%0.572SS.*PPolyproline II helixtrans-86.1127.2-180-67173.7000110.5I514 L515 Y545I514-L518 HydrophobicContact CG2-CD1 4.46Å; I514-L518 WeakPolarHBondContact O-CG 3.38Å; L515-L518 PolarHBondContact O-N 3.23Å; L518-Y545 HydrophobicContact CD1-CD2 4.39Å; L518-Y545 HydrophobicContact CD1-CE1 4.29Å; L518-Y545 HydrophobicContact CD1-CE2 4.04Å; L518-Y545 HydrophobicContact CD2-CD1 3.99Å; L518-Y545 HydrophobicContact CD2-CE1 3.41Å; L518-Y545 VanDerWaalsContact CD2-CE1 3.41Å; L518-Y545 HydrophobicContact CG-CE1 4.42Å
519P42.9Very low49.8Very low109 Ų10999.2 Ų99.271%0.70854%0.544SS*.PPolyproline II helixtrans-61.5146172.323.9-30.3000110.9
520L38.3Very low51.1Low167 Ų167100.3 Ų100.387%0.87455%0.546SS*.PPolyproline II helixtrans-56.4147175.6-74.4160.6000111A522L520-A522 PolarHBondContact O-N 3.4Å
521P41.3Very low52.4Low76 Ų7698 Ų9849%0.49454%0.541SS..PPolyproline II helixtrans-57.7136.1-173.922-32.5000111.8E523P521-E523 PolarHBondContact O-N 2.85Å
522A45.5Very low53Low90 Ų90100.9 Ų100.974%0.74456%0.561SS**PPolyproline II helixtrans-69.3121.9168.300000108.5L520L520-A522 PolarHBondContact O-N 3.4Å
523E41Very low53.6Low186 Ų186102.9 Ų102.987%0.86956%0.563SS**PPolyproline II helixtrans-55142.9168.8-71.7-176.6157.400109.9P521 G525P521-E523 PolarHBondContact O-N 2.85Å; E523-G525 VanDerWaalsContact C-N 3.33Å; E523-G525 PolarHBondContact O-N 3.36Å
524N47.6Very low54.2Low113 Ų11399.1 Ų99.160%0.60457%0.567SS**  trans-55.792.5177.7-72.5-28.4000110.1
525G54.8Low55.2Low39 Ų3999 Ų9940%0.40257%0.569SS.*  trans-70.1176.6-179.900000112.9E523 N527 F528E523-G525 VanDerWaalsContact C-N 3.33Å; E523-G525 PolarHBondContact O-N 3.36Å; G525-N527 PolarHBondContact O-N 2.85Å; G525-F528 PolarHBondContact O-N 2.82Å; G525-F528 VanDerWaalsContact O-N 3.15Å
526H61.1Low57Low174 Ų174100.4 Ų100.481%0.80657%0.567SS**THydrogen-bonded Turntrans-53.7-3.7178.4-64.1-73.8000116.4
527N74.1Confident58.8Low56 Ų5696 Ų9630%0.29955%0.545SS..THydrogen-bonded Turntrans-89.4-3.6178.8-64.8-12.7000113.8G525 C751 C752 F762G525-N527 PolarHBondContact O-N 2.85Å; N527-C751 HydrophobicContact CB-CB 3.87Å; N527-C751 WeakPolarHBondContact O-CA 3.46Å; N527-C751 VanDerWaalsContact O-CB 3.28Å; N527-C751 WeakPolarHBondContact O-CB 3.08Å; N527-C752 PolarHBondContact O-N 2.92Å; N527-F762 HydrophobicContact CB-CZ 4.41Å
528F79Confident60.6Low49 Ų4992.9 Ų92.922%0.21551%0.513CS..BIsolated β-bridgetrans-113.5116.8-177.5-65.6-91.1000110.5G525 H530 L749 C752G525-F528 PolarHBondContact O-N 2.82Å; G525-F528 VanDerWaalsContact O-N 3.15Å; F528-H530 PolarHBondContact O-N 3.28Å; F528-L749 HydrophobicContact CE1-CD2 3.66Å; F528-L749 HydrophobicContact CE1-CG 3.82Å; F528-L749 HydrophobicContact CZ-CD2 4.41Å; F528-L749 HydrophobicContact CZ-CG 4.22Å; F528-C752 CarbonylContact C-O 3.52Å; F528-C752 WeakPolarHBondContact CA-O 3.26Å; F528-C752 HydrophobicContact CD1-CB 3.66Å; F528-C752 HydrophobicContact CE1-CB 3.98Å
529E76.9Confident62.7Low46 Ų4690 Ų9022%0.21550%0.498CS..  trans-74.4111.2175.6-169.8173.7-162.900109.8R740 C752 T754 F757E529-R740 PolarHBondContact O-NH1 3.09Å; E529-R740 PolarHBondContact O-NH2 3.15Å; E529-C752 PolarHBondContact N-O 3.25Å; E529-T754 WeakPolarHBondContact OE2-CB 3.22Å; E529-T754 VanDerWaalsContact OE2-CG2 3.31Å; E529-T754 WeakPolarHBondContact OE2-CG2 3.23Å; E529-T754 PolarHBondContact OE2-N 3.29Å; E529-T754 PolarHBondContact OE2-OG1 3Å; E529-F757 HydrophobicContact CB-CD1 3.9Å; E529-F757 HydrophobicContact CB-CD2 4.31Å; E529-F757 HydrophobicContact CB-CE1 4Å; E529-F757 HydrophobicContact CB-CE2 4.4Å; E529-F757 HydrophobicContact CB-CG 4.06Å; E529-F757 HydrophobicContact CB-CZ 4.25Å; E529-F757 HydrophobicContact CG-CD2 4.29Å; E529-F757 HydrophobicContact CG-CG 4.27Å; E529-F757 WeakPolarHBondContact OE2-CB 3.3Å
530H65.9Low64.9Low139 Ų13986.2 Ų86.264%0.64447%0.474SS*.  trans-70.1136.1174.5-80.2-83.9000111.4F528F528-H530 PolarHBondContact O-N 3.28Å
531I65.1Low67.3Low59 Ų5978.5 Ų78.530%0.30343%0.434SS..  trans-87.9122.2174.5-67.4158.6000109H533 V535 Y566I531-H533 HydrophobicContact CG2-CB 4.5Å; I531-H533 VanDerWaalsContact CG2-O 3.31Å; I531-H533 WeakPolarHBondContact CG2-O 3.37Å; I531-V535 HydrophobicContact CG2-CG2 4.37Å; I531-Y566 HydrophobicContact CD1-CD1 4.24Å; I531-Y566 HydrophobicContact CD1-CD2 3.76Å; I531-Y566 HydrophobicContact CD1-CE1 3.68Å; I531-Y566 HydrophobicContact CD1-CE2 3.16Å; I531-Y566 HydrophobicContact CD1-CG 4.28Å; I531-Y566 WeakPolarHBondContact CD1-OH 3.49Å
532S55.1Low69.4Low111 Ų11177 Ų7778%0.77643%0.425SS*.  trans-86.2-6.8179.39.30000114.2
533H57.9Low71.2Confident101 Ų10176.9 Ų76.947%0.46841%0.409SS..SBendtrans-114149-173.1-57.4-61.3000113.1I531 V535 R1658I531-H533 HydrophobicContact CG2-CB 4.5Å; I531-H533 VanDerWaalsContact CG2-O 3.31Å; I531-H533 WeakPolarHBondContact CG2-O 3.37Å; H533-V535 VanDerWaalsContact C-N 3.32Å; H533-V535 HydrophobicContact CB-CG2 4.43Å; H533-V535 PolarHBondContact O-N 2.91Å; H533-R1658 PolarHBondContact NE2-NH2 3.45Å
534P56.9Low73.3Confident138 Ų13868 Ų6890%0.89637%0.367SS*.  trans-73.981.5177.631.1-34.2000111
535V70Confident75Confident48 Ų4863.8 Ų63.829%0.29134%0.343SS..PPolyproline II helixtrans-94.6133.6171.9-169.60000109.4I531 H533 V537 Y566I531-V535 HydrophobicContact CG2-CG2 4.37Å; H533-V535 VanDerWaalsContact C-N 3.32Å; H533-V535 HydrophobicContact CB-CG2 4.43Å; H533-V535 PolarHBondContact O-N 2.91Å; V535-V537 PolarHBondContact O-N 3.3Å; V535-Y566 HydrophobicContact CB-CD1 3.96Å; V535-Y566 HydrophobicContact CG1-CD1 4.08Å; V535-Y566 HydrophobicContact CG1-CG 4.27Å
536R81.9Confident76.3Confident129 Ų12962.7 Ų62.749%0.48733%0.327SS..PPolyproline II helixtrans-61.3119.2177.5177.2178.2168.3-154.2-12.1110.6T538 Y566 Y567 N603 E692R536-T538 PolarHBondContact O-N 3.38Å; R536-Y566 WeakPolarHBondContact O-CA 2.95Å; R536-Y567 PolarHBondContact O-N 3.13Å; R536-N603 VanDerWaalsContact NH2-CG 3.3Å; R536-N603 PolarHBondContact NH2-ND2 3.26Å; R536-N603 PolarHBondContact NH2-OD1 2.84Å; R536-E692 IonicContact CZ-OE1 2.87Å; R536-E692 IonicContact NH1-OE1 3.37Å; R536-E692 IonicContact NH2-OE1 3.71Å; R536-E692 PolarHBondContact NH2-OE1 2.89Å
537V84.7Confident77.1Confident57 Ų5756.1 Ų56.135%0.34530%0.3SS..EExtended strand (participates in β ladder)trans-77.1116.2169.8-1790000108.7V535 V539 D564 Y566V535-V537 PolarHBondContact O-N 3.3Å; V537-V539 WeakPolarHBondContact CG1-O 3.38Å; V537-D564 HydrophobicContact CG1-CB 4.14Å; V537-Y566 HydrophobicContact CG2-CD1 3.9Å; V537-Y566 HydrophobicContact CG2-CE1 3.53Å
538T86.7Confident77Confident1 Ų156.9 Ų56.91%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-91.8-33.3-180-63.70000111.5R536 L565 Y567 V602 N603 I693 T723R536-T538 PolarHBondContact O-N 3.38Å; T538-L565 PolarHBondContact N-O 3.25Å; T538-Y567 WeakPolarHBondContact OG1-CB 3.46Å; T538-V602 CarbonylContact O-C 3.21Å; T538-V602 WeakPolarHBondContact O-CA 3.44Å; T538-N603 PolarHBondContact O-N 2.79Å; T538-I693 HydrophobicContact CG2-CD1 3.74Å; T538-I693 HydrophobicContact CG2-CG1 3.58Å; T538-T723 VanDerWaalsContact CB-OG1 3.29Å; T538-T723 WeakPolarHBondContact CB-OG1 3.23Å; T538-T723 HydrophobicContact CG2-CG2 4.49Å; T538-T723 WeakPolarHBondContact CG2-OG1 3.43Å; T538-T723 PolarHBondContact OG1-OG1 3.15Å
539V89.9Confident76.1Confident2 Ų256.7 Ų56.71%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-135.9130.9175.5-175.70000108.8V537 L565 L588 A601 V602 I693V537-V539 WeakPolarHBondContact CG1-O 3.38Å; V539-L565 HydrophobicContact CB-CB 4.03Å; V539-L565 HydrophobicContact CB-CD1 3.89Å; V539-L565 HydrophobicContact CB-CG 4.09Å; V539-L565 HydrophobicContact CG1-CD1 4.29Å; V539-L565 HydrophobicContact CG2-CD1 4.19Å; V539-L565 PolarHBondContact N-O 2.91Å; V539-L565 PolarHBondContact O-N 2.96Å; V539-L588 HydrophobicContact CG1-CD2 3.57Å; V539-A601 CarbonylContact C-O 3.5Å; V539-A601 WeakPolarHBondContact CA-O 2.96Å; V539-V602 HydrophobicContact CG1-CG2 4.34Å; V539-V602 HydrophobicContact CG2-CG2 4.28Å; V539-I693 HydrophobicContact CG2-CD1 3.81Å; V539-I693 HydrophobicContact CG2-CG1 4.29Å; V539-I693 HydrophobicContact CG2-CG2 4.25Å
540S88.8Confident74.9Confident30 Ų3059.7 Ų59.721%0.2133%0.329CS..EExtended strand (participates in β ladder)trans-126.2128.6174.7-175.90000109.8D564 A601S540-D564 WeakPolarHBondContact CA-OD1 3.39Å; S540-D564 VanDerWaalsContact CB-OD1 3.23Å; S540-D564 WeakPolarHBondContact CB-OD1 3.21Å; S540-D564 PolarHBondContact OG-OD1 3.35Å; S540-A601 PolarHBondContact N-O 3.26Å; S540-A601 PolarHBondContact O-N 2.9Å
541M88.9Confident74Confident5 Ų559.5 Ų59.53%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-108.1128.6169-64.8-164.6-164.700109.9V544 F561 S562 L563 T584 L588 V600M541-V544 HydrophobicContact CB-CG2 4.04Å; M541-V544 HydrophobicContact CG-CG2 4.47Å; M541-V544 HydrophobicContact SD-CG2 4.34Å; M541-F561 HydrophobicContact CE-CE1 4.26Å; M541-F561 HydrophobicContact SD-CD1 3.52Å; M541-F561 VanDerWaalsContact SD-CD1 3.52Å; M541-F561 HydrophobicContact SD-CE1 3.41Å; M541-F561 WeakPolarHBondContact SD-CE1 2.96Å; M541-S562 VanDerWaalsContact O-CA 3.28Å; M541-S562 WeakPolarHBondContact O-CA 3.46Å; M541-L563 PolarHBondContact N-O 3.02Å; M541-L563 PolarHBondContact O-N 2.91Å; M541-T584 HydrophobicContact CE-CG2 3.72Å; M541-T584 HydrophobicContact SD-CG2 4.17Å; M541-L588 HydrophobicContact CE-CB 4.48Å; M541-L588 HydrophobicContact CE-CD1 3.39Å; M541-L588 HydrophobicContact CE-CD2 3.14Å; M541-L588 HydrophobicContact CE-CG 3.07Å; M541-V600 HydrophobicContact CG-CG1 4.37Å; M541-V600 HydrophobicContact CG-CG2 4.24Å
542S85.3Confident73.2Confident44 Ų4468.3 Ų68.331%0.30836%0.363SS..EExtended strand (participates in β ladder)trans-120.8115.1178.3-48.40000110.1V544 G598 S599S542-V544 PolarHBondContact O-N 3.04Å; S542-G598 VanDerWaalsContact O-CA 3.26Å; S542-G598 WeakPolarHBondContact O-CA 3.2Å; S542-S599 PolarHBondContact N-O 3.14Å; S542-S599 PolarHBondContact O-N 3.41Å; S542-S599 VanDerWaalsContact O-N 3.14Å
543H82.8Confident73Confident87 Ų8766.1 Ų66.140%0.40334%0.344SS..EExtended strand (participates in β ladder)trans54.647.1168.5-55.4-70.7000113.6Y545 D560 S562 G598H543-Y545 VanDerWaalsContact O-CD2 3.31Å; H543-Y545 WeakPolarHBondContact O-CD2 3.28Å; H543-Y545 PolarHBondContact O-N 3.35Å; H543-D560 WeakPolarHBondContact CA-OD1 3Å; H543-D560 VanDerWaalsContact CB-OD1 3.31Å; H543-D560 WeakPolarHBondContact CB-OD1 3.49Å; H543-D560 IonicContact CE1-OD1 3.74Å; H543-D560 IonicContact CG-OD1 3.52Å; H543-D560 IonicContact ND1-OD1 2.79Å; H543-D560 PolarHBondContact ND1-OD1 3.24Å; H543-D560 IonicContact ND1-OD2 3.98Å; H543-S562 PolarHBondContact N-OG 3Å; H543-G598 VanDerWaalsContact O-CA 3.27Å; H543-G598 WeakPolarHBondContact O-CA 3.21Å
544V85.5Confident73.1Confident0 Ų067.4 Ų67.40%035%0.348CS..EExtended strand (participates in β ladder)trans-78.3121.8-175176.40000111.1M541 S542 L558 F561 I587 P595 V597 V600M541-V544 HydrophobicContact CB-CG2 4.04Å; M541-V544 HydrophobicContact CG-CG2 4.47Å; M541-V544 HydrophobicContact SD-CG2 4.34Å; S542-V544 PolarHBondContact O-N 3.04Å; V544-L558 HydrophobicContact CG1-CD1 4.3Å; V544-F561 HydrophobicContact CB-CB 4.31Å; V544-F561 WeakPolarHBondContact CB-O 3.4Å; V544-F561 PolarHBondContact N-O 3.44Å; V544-F561 PolarHBondContact O-N 2.98Å; V544-I587 HydrophobicContact CG1-CD1 3.98Å; V544-P595 HydrophobicContact CG1-CB 3.88Å; V544-V597 CarbonylContact C-O 3.59Å; V544-V597 WeakPolarHBondContact CA-O 3.33Å; V544-V600 HydrophobicContact CG2-CG2 4.03Å
545Y83.6Confident73.6Confident24 Ų2465.9 Ų65.99%0.09433%0.333CS..EExtended strand (participates in β ladder)trans-111.3138.7170.6-70.3-98.9000111.5L518 H543 L558 R559 D560 N596 V597L518-Y545 HydrophobicContact CD1-CD2 4.39Å; L518-Y545 HydrophobicContact CD1-CE1 4.29Å; L518-Y545 HydrophobicContact CD1-CE2 4.04Å; L518-Y545 HydrophobicContact CD2-CD1 3.99Å; L518-Y545 HydrophobicContact CD2-CE1 3.41Å; L518-Y545 VanDerWaalsContact CD2-CE1 3.41Å; L518-Y545 HydrophobicContact CG-CE1 4.42Å; H543-Y545 VanDerWaalsContact O-CD2 3.31Å; H543-Y545 WeakPolarHBondContact O-CD2 3.28Å; H543-Y545 PolarHBondContact O-N 3.35Å; Y545-L558 WeakPolarHBondContact CA-O 3.16Å; Y545-R559 HydrophobicContact CE1-CB 4.49Å; Y545-D560 HydrophobicContact CE1-CB 4.33Å; Y545-D560 VanDerWaalsContact CE1-N 3.26Å; Y545-D560 HydrophobicContact CE2-CB 3.97Å; Y545-D560 VanDerWaalsContact CZ-N 3.28Å; Y545-D560 WeakPolarHBondContact OH-CB 3.33Å; Y545-N596 WeakPolarHBondContact O-CB 3.34Å; Y545-N596 PolarHBondContact O-N 3.03Å; Y545-V597 HydrophobicContact CD2-CB 4.13Å; Y545-V597 HydrophobicContact CD2-CG1 4.32Å; Y545-V597 HydrophobicContact CG-CB 4.44Å; Y545-V597 PolarHBondContact N-O 2.8Å; Y545-V597 PolarHBondContact O-N 2.59Å
546K82.9Confident73.9Confident16 Ų1666 Ų667%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-137.1120.9172.4-171.873.4-164.3162.80111F548 A557 L558 T583 I587 L594 N596K546-F548 HydrophobicContact CD-CZ 4.29Å; K546-F548 HydrophobicContact CG-CD2 4.26Å; K546-F548 HydrophobicContact CG-CE2 3.6Å; K546-F548 HydrophobicContact CG-CZ 3.82Å; K546-A557 PolarHBondContact O-N 3.35Å; K546-L558 HydrophobicContact CB-CB 4.06Å; K546-L558 HydrophobicContact CB-CD1 4.29Å; K546-L558 HydrophobicContact CB-CG 4.38Å; K546-L558 PolarHBondContact N-O 3.31Å; K546-L558 PolarHBondContact O-N 2.91Å; K546-T583 HydrophobicContact CB-CG2 4.14Å; K546-T583 HydrophobicContact CG-CG2 3.75Å; K546-I587 HydrophobicContact CB-CD1 4.11Å; K546-I587 HydrophobicContact CD-CD1 4.31Å; K546-I587 HydrophobicContact CG-CD1 4.34Å; K546-L594 WeakPolarHBondContact CD-O 3.1Å; K546-L594 WeakPolarHBondContact CE-O 3.45Å; K546-L594 PolarHBondContact NZ-O 3.47Å; K546-N596 WeakPolarHBondContact CA-OD1 3.49Å; K546-N596 WeakPolarHBondContact CD-OD1 3.29Å; K546-N596 PolarHBondContact NZ-OD1 3.05Å
547V76.7Confident73.9Confident37 Ų3760.6 Ų60.622%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-119131.3177.6-1720000109.3K554 V556 N596V547-K554 HydrophobicContact CG1-CB 4.42Å; V547-V556 HydrophobicContact CG1-CG2 4.43Å; V547-V556 HydrophobicContact CG2-CG1 4.15Å; V547-V556 HydrophobicContact CG2-CG2 4.16Å; V547-N596 PolarHBondContact N-OD1 2.86Å; V547-N596 PolarHBondContact O-OD1 3.18Å
548F72.4Confident73.9Confident72 Ų7257.9 Ų57.932%0.31630%0.3SS..EExtended strand (participates in β ladder)trans-111.6141.3172.1-64.8-82.3000110.3K546 N555 A557 T583 L593K546-F548 HydrophobicContact CD-CZ 4.29Å; K546-F548 HydrophobicContact CG-CD2 4.26Å; K546-F548 HydrophobicContact CG-CE2 3.6Å; K546-F548 HydrophobicContact CG-CZ 3.82Å; F548-N555 PolarHBondContact N-O 2.99Å; F548-N555 PolarHBondContact O-N 3.31Å; F548-A557 HydrophobicContact CD2-CB 3.65Å; F548-A557 HydrophobicContact CE2-CB 3.62Å; F548-T583 HydrophobicContact CE2-CG2 3.77Å; F548-T583 HydrophobicContact CZ-CG2 4.07Å; F548-L593 HydrophobicContact CE1-CD1 4.25Å; F548-L593 HydrophobicContact CE1-CD2 3.8Å; F548-L593 HydrophobicContact CZ-CD1 3.8Å; F548-L593 HydrophobicContact CZ-CD2 4.08Å
549G59.6Low73.8Confident44 Ų4464 Ų6445%0.45432%0.324SS..SBendtrans104.7161.9176.400000114.8
550D52Low73.4Confident109 Ų10966 Ų6658%0.58333%0.334SS*.  trans-75.4172.4172.1-82.8-20000111.1R552 T553 K554D550-R552 PolarHBondContact O-N 2.84Å; D550-T553 CarbonylContact O-C 3.53Å; D550-T553 PolarHBondContact O-N 3.35Å; D550-K554 PolarHBondContact O-N 2.95Å
551D48.4Very low73.3Confident135 Ų13564.6 Ų64.672%0.72232%0.324SS*.THydrogen-bonded Turntrans-51.6-22.2-176.1-79.4-42.5000115K554D551-K554 WeakPolarHBondContact OD1-CE 3.27Å; D551-K554 IonicContact OD1-NZ 3.74Å; D551-K554 PolarHBondContact OD1-NZ 2.93Å
552R47.2Very low73.2Confident245 Ų24566.3 Ų66.393%0.92534%0.337SS*.THydrogen-bonded Turntrans-88.5-17.8177.8-64-175.7179.8-175.3-0.2115.3D550D550-R552 PolarHBondContact O-N 2.84Å
553T51.9Low73.4Confident64 Ų6464.8 Ų64.839%0.39333%0.325SS..SBendtrans-134.349.4-176.861.50000111D550 N555D550-T553 CarbonylContact O-C 3.53Å; D550-T553 PolarHBondContact O-N 3.35Å; T553-N555 PolarHBondContact O-N 3.13Å
554K58.3Low73.7Confident128 Ų12863.4 Ų63.456%0.55732%0.32SS*.  trans-66.8101.4179.7-70.1-173.6-175.4-178.90110.6V547 D550 D551V547-K554 HydrophobicContact CG1-CB 4.42Å; D550-K554 PolarHBondContact O-N 2.95Å; D551-K554 WeakPolarHBondContact OD1-CE 3.27Å; D551-K554 IonicContact OD1-NZ 3.74Å; D551-K554 PolarHBondContact OD1-NZ 2.93Å
555N68.1Low74Confident106 Ų10663.6 Ų63.657%0.56732%0.321SS*.EExtended strand (participates in β ladder)trans-101104.3167.6-79.6-4.7000108.7F548 T553 A557F548-N555 PolarHBondContact N-O 2.99Å; F548-N555 PolarHBondContact O-N 3.31Å; T553-N555 PolarHBondContact O-N 3.13Å; N555-A557 PolarHBondContact O-N 3.33Å
556V77.4Confident74.3Confident50 Ų5063.9 Ų63.930%0.30332%0.323SS..EExtended strand (participates in β ladder)trans-78.2109.1173.7-168.70000108.3V547 L558 R559V547-V556 HydrophobicContact CG1-CG2 4.43Å; V547-V556 HydrophobicContact CG2-CG1 4.15Å; V547-V556 HydrophobicContact CG2-CG2 4.16Å; V556-L558 WeakPolarHBondContact CG1-O 3.01Å; V556-R559 HydrophobicContact CB-CG 4.18Å; V556-R559 HydrophobicContact CG1-CG 3.37Å
557A80Confident74.6Confident17 Ų1767 Ų6714%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-86.4-31.4-178.100000112.9K546 F548 N555 T583 G747K546-A557 PolarHBondContact O-N 3.35Å; F548-A557 HydrophobicContact CD2-CB 3.65Å; F548-A557 HydrophobicContact CE2-CB 3.62Å; N555-A557 PolarHBondContact O-N 3.33Å; A557-T583 HydrophobicContact CB-CG2 4.09Å; A557-G747 WeakPolarHBondContact O-CA 3.35Å
558L85.2Confident75.1Confident0 Ų066.2 Ų66.20%033%0.333CS..EExtended strand (participates in β ladder)trans-134.7132.1172.4-66.4172.3000109.4V544 Y545 K546 V556 F561 T583 T584 I587 L744 G747V544-L558 HydrophobicContact CG1-CD1 4.3Å; Y545-L558 WeakPolarHBondContact CA-O 3.16Å; K546-L558 HydrophobicContact CB-CB 4.06Å; K546-L558 HydrophobicContact CB-CD1 4.29Å; K546-L558 HydrophobicContact CB-CG 4.38Å; K546-L558 PolarHBondContact N-O 3.31Å; K546-L558 PolarHBondContact O-N 2.91Å; V556-L558 WeakPolarHBondContact CG1-O 3.01Å; L558-F561 HydrophobicContact CB-CB 4.28Å; L558-F561 HydrophobicContact CD2-CB 4.21Å; L558-F561 HydrophobicContact CD2-CD2 4.28Å; L558-F561 HydrophobicContact CD2-CG 4.19Å; L558-T583 HydrophobicContact CD1-CG2 4.06Å; L558-T583 HydrophobicContact CG-CG2 4.29Å; L558-T584 WeakPolarHBondContact CD2-OG1 3.36Å; L558-I587 HydrophobicContact CD1-CD1 3.58Å; L558-L744 HydrophobicContact CD2-CD1 4.46Å; L558-L744 HydrophobicContact CD2-CD2 4.39Å; L558-G747 WeakPolarHBondContact CA-O 3.19Å
559R84.8Confident75.8Confident130 Ų13064.8 Ų64.849%0.49133%0.328SS..EExtended strand (participates in β ladder)trans-124.1110.7-178.3-66.1177.8-175.1-177.10.2107.3Y545 V556 F561 G747Y545-R559 HydrophobicContact CE1-CB 4.49Å; V556-R559 HydrophobicContact CB-CG 4.18Å; V556-R559 HydrophobicContact CG1-CG 3.37Å; R559-F561 VanDerWaalsContact C-N 3.26Å; R559-F561 PolarHBondContact O-N 3.27Å; R559-G747 PolarHBondContact N-O 3.08Å
560D82Confident77.3Confident43 Ų4362.7 Ų62.723%0.2331%0.306CS..EExtended strand (participates in β ladder)trans48.245.7177.4-154.325.4000114H543 Y545 S562H543-D560 WeakPolarHBondContact CA-OD1 3Å; H543-D560 VanDerWaalsContact CB-OD1 3.31Å; H543-D560 WeakPolarHBondContact CB-OD1 3.49Å; H543-D560 IonicContact CE1-OD1 3.74Å; H543-D560 IonicContact CG-OD1 3.52Å; H543-D560 IonicContact ND1-OD1 2.79Å; H543-D560 PolarHBondContact ND1-OD1 3.24Å; H543-D560 IonicContact ND1-OD2 3.98Å; Y545-D560 HydrophobicContact CE1-CB 4.33Å; Y545-D560 VanDerWaalsContact CE1-N 3.26Å; Y545-D560 HydrophobicContact CE2-CB 3.97Å; Y545-D560 VanDerWaalsContact CZ-N 3.28Å; Y545-D560 WeakPolarHBondContact OH-CB 3.33Å; D560-S562 PolarHBondContact O-N 3.11Å
561F87.4Confident79.3Confident0 Ų057.5 Ų57.50%028%0.279CS..EExtended strand (participates in β ladder)trans-79112.6-174.3-176.1-96.6000110.4M541 V544 L558 R559 L563 L573 T584 L744 L749M541-F561 HydrophobicContact CE-CE1 4.26Å; M541-F561 HydrophobicContact SD-CD1 3.52Å; M541-F561 VanDerWaalsContact SD-CD1 3.52Å; M541-F561 HydrophobicContact SD-CE1 3.41Å; M541-F561 WeakPolarHBondContact SD-CE1 2.96Å; V544-F561 HydrophobicContact CB-CB 4.31Å; V544-F561 WeakPolarHBondContact CB-O 3.4Å; V544-F561 PolarHBondContact N-O 3.44Å; V544-F561 PolarHBondContact O-N 2.98Å; L558-F561 HydrophobicContact CB-CB 4.28Å; L558-F561 HydrophobicContact CD2-CB 4.21Å; L558-F561 HydrophobicContact CD2-CD2 4.28Å; L558-F561 HydrophobicContact CD2-CG 4.19Å; R559-F561 VanDerWaalsContact C-N 3.26Å; R559-F561 PolarHBondContact O-N 3.27Å; F561-L563 HydrophobicContact CE1-CB 3.79Å; F561-L563 HydrophobicContact CE1-CD2 4.27Å; F561-L563 HydrophobicContact CZ-CB 3.81Å; F561-L563 HydrophobicContact CZ-CD2 3.81Å; F561-L563 HydrophobicContact CZ-CG 4.44Å; F561-L573 HydrophobicContact CZ-CD1 4.46Å; F561-T584 HydrophobicContact CD1-CG2 4.19Å; F561-T584 HydrophobicContact CE1-CG2 3.47Å; F561-T584 VanDerWaalsContact CE1-CG2 3.47Å; F561-T584 HydrophobicContact CZ-CG2 3.82Å; F561-L744 HydrophobicContact CD2-CD1 3.7Å; F561-L744 HydrophobicContact CE2-CD1 3.71Å; F561-L749 HydrophobicContact CD2-CB 4.26Å; F561-L749 HydrophobicContact CE2-CB 4.24Å; F561-L749 HydrophobicContact CE2-CD1 4.29Å
562S86.2Confident81.4Confident42 Ų4251.1 Ų51.129%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-120.2128.9174.5-62.80000109.9M541 H543 D560 L749M541-S562 VanDerWaalsContact O-CA 3.28Å; M541-S562 WeakPolarHBondContact O-CA 3.46Å; H543-S562 PolarHBondContact N-OG 3Å; D560-S562 PolarHBondContact O-N 3.11Å; S562-L749 VanDerWaalsContact O-CD2 3.24Å; S562-L749 WeakPolarHBondContact O-CD2 3.34Å
563L89.7Confident83.6Confident11 Ų1139.4 Ų39.46%0.05820%0.2CC..EExtended strand (participates in β ladder)trans-158.1130.7-179.4-179.366.4000110.3M541 F561 L565 A742 L749M541-L563 PolarHBondContact N-O 3.02Å; M541-L563 PolarHBondContact O-N 2.91Å; F561-L563 HydrophobicContact CE1-CB 3.79Å; F561-L563 HydrophobicContact CE1-CD2 4.27Å; F561-L563 HydrophobicContact CZ-CB 3.81Å; F561-L563 HydrophobicContact CZ-CD2 3.81Å; F561-L563 HydrophobicContact CZ-CG 4.44Å; L563-L565 HydrophobicContact CD2-CD2 3.98Å; L563-L565 HydrophobicContact CG-CD2 4.13Å; L563-A742 HydrophobicContact CD1-CB 4.32Å; L563-L749 HydrophobicContact CD1-CD2 4.32Å
564D88.9Confident85.3Confident58 Ų5836.4 Ų36.431%0.3118%0.181SC..EExtended strand (participates in β ladder)trans-104.1137.8173.1-67-29.5000111V537 S540 Y566V537-D564 HydrophobicContact CG1-CB 4.14Å; S540-D564 WeakPolarHBondContact CA-OD1 3.39Å; S540-D564 VanDerWaalsContact CB-OD1 3.23Å; S540-D564 WeakPolarHBondContact CB-OD1 3.21Å; S540-D564 PolarHBondContact OG-OD1 3.35Å; D564-Y566 HydrophobicContact CB-CE2 4.23Å
565L91Very high86.6Confident4 Ų430.6 Ų30.62%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-114.5134.2175.6-50-178.5000110.1T538 V539 L563 T571 T723 L725T538-L565 PolarHBondContact N-O 3.25Å; V539-L565 HydrophobicContact CB-CB 4.03Å; V539-L565 HydrophobicContact CB-CD1 3.89Å; V539-L565 HydrophobicContact CB-CG 4.09Å; V539-L565 HydrophobicContact CG1-CD1 4.29Å; V539-L565 HydrophobicContact CG2-CD1 4.19Å; V539-L565 PolarHBondContact N-O 2.91Å; V539-L565 PolarHBondContact O-N 2.96Å; L563-L565 HydrophobicContact CD2-CD2 3.98Å; L563-L565 HydrophobicContact CG-CD2 4.13Å; L565-T571 HydrophobicContact CD2-CG2 3.91Å; L565-T723 HydrophobicContact CB-CG2 3.74Å; L565-L725 HydrophobicContact CD1-CB 3.91Å; L565-L725 HydrophobicContact CD1-CD2 4.2Å; L565-L725 HydrophobicContact CD1-CG 4.44Å; L565-L725 HydrophobicContact CD2-CD1 3.93Å
566Y89.4Confident87Confident30 Ų3026.9 Ų26.912%0.11814%0.137CC..EExtended strand (participates in β ladder)trans-107.9143.7-171.7-58.4-82.5000112I531 V535 R536 V537 D564 Q569 T723I531-Y566 HydrophobicContact CD1-CD1 4.24Å; I531-Y566 HydrophobicContact CD1-CD2 3.76Å; I531-Y566 HydrophobicContact CD1-CE1 3.68Å; I531-Y566 HydrophobicContact CD1-CE2 3.16Å; I531-Y566 HydrophobicContact CD1-CG 4.28Å; I531-Y566 WeakPolarHBondContact CD1-OH 3.49Å; V535-Y566 HydrophobicContact CB-CD1 3.96Å; V535-Y566 HydrophobicContact CG1-CD1 4.08Å; V535-Y566 HydrophobicContact CG1-CG 4.27Å; R536-Y566 WeakPolarHBondContact O-CA 2.95Å; V537-Y566 HydrophobicContact CG2-CD1 3.9Å; V537-Y566 HydrophobicContact CG2-CE1 3.53Å; D564-Y566 HydrophobicContact CB-CE2 4.23Å; Y566-Q569 PolarHBondContact O-N 3.07Å; Y566-T723 WeakPolarHBondContact O-CG2 3.33Å
567Y89.6Confident86.9Confident83 Ų8327.7 Ų27.733%0.32514%0.14SC..THydrogen-bonded Turntrans-61.6136.9175.1-172.5-93.2000111.4R536 T538 Q569 E692 Y721 T723R536-Y567 PolarHBondContact O-N 3.13Å; T538-Y567 WeakPolarHBondContact OG1-CB 3.46Å; Y567-Q569 VanDerWaalsContact C-N 3.27Å; Y567-Q569 PolarHBondContact O-N 3.43Å; Y567-E692 HydrophobicContact CE2-CG 4.25Å; Y567-Y721 PolarHBondContact OH-O 3.38Å; Y567-T723 WeakPolarHBondContact CA-OG1 3.5Å
568G87.3Confident86.5Confident19 Ų1930.6 Ų30.620%0.19617%0.172CC..THydrogen-bonded Turntrans78.77.1178.300000114.7K719 R722G568-K719 CarbonylContact C-O 3.45Å; G568-K719 VanDerWaalsContact CA-O 3.3Å; G568-K719 WeakPolarHBondContact CA-O 3.08Å; G568-K719 VanDerWaalsContact O-CG 3.27Å; G568-K719 WeakPolarHBondContact O-CG 3.18Å; G568-R722 WeakPolarHBondContact CA-O 3.28Å; G568-R722 PolarHBondContact N-O 3.39Å
569Q87.9Confident86.3Confident42 Ų4230.6 Ų30.620%0.19617%0.172CC..  trans-120150.5-178.4-64.9-172.6-0.100112.2Y566 Y567 I724 D739Y566-Q569 PolarHBondContact O-N 3.07Å; Y567-Q569 VanDerWaalsContact C-N 3.27Å; Y567-Q569 PolarHBondContact O-N 3.43Å; Q569-I724 PolarHBondContact O-N 3.4Å; Q569-I724 VanDerWaalsContact O-N 3.11Å; Q569-D739 WeakPolarHBondContact CA-OD2 3.42Å; Q569-D739 HydrophobicContact CB-CB 4.23Å; Q569-D739 HydrophobicContact CG-CB 4.42Å
570I91.3Very high86.3Confident0 Ų024.7 Ų24.70%015%0.151CC..EExtended strand (participates in β ladder)trans-100.2118.4167.3-57.4176.2000108.7L715 K719 I724 L726 L737 D739 R740I570-L715 HydrophobicContact CD1-CB 4.38Å; I570-K719 HydrophobicContact CD1-CB 4.07Å; I570-K719 HydrophobicContact CD1-CD 4.01Å; I570-K719 HydrophobicContact CD1-CG 4.28Å; I570-K719 HydrophobicContact CG1-CB 4.06Å; I570-K719 HydrophobicContact CG1-CD 3.93Å; I570-K719 HydrophobicContact CG1-CG 3.91Å; I570-I724 CarbonylContact C-O 3.59Å; I570-I724 WeakPolarHBondContact CA-O 3.47Å; I570-I724 HydrophobicContact CB-CB 4.47Å; I570-I724 HydrophobicContact CD1-CD1 4.49Å; I570-I724 HydrophobicContact CG1-CB 4.01Å; I570-I724 HydrophobicContact CG1-CD1 4.18Å; I570-I724 HydrophobicContact CG1-CG1 4.44Å; I570-I724 HydrophobicContact CG2-CB 4.46Å; I570-I724 HydrophobicContact CG2-CG2 4.38Å; I570-L726 HydrophobicContact CG2-CD2 3.39Å; I570-L726 HydrophobicContact CG2-CG 4.01Å; I570-L737 WeakPolarHBondContact CB-O 3.49Å; I570-L737 HydrophobicContact CD1-CB 4.14Å; I570-L737 HydrophobicContact CD1-CD2 4.44Å; I570-L737 HydrophobicContact CG2-CB 4.22Å; I570-L737 WeakPolarHBondContact CG2-O 3.26Å; I570-D739 PolarHBondContact N-OD2 2.7Å; I570-D739 PolarHBondContact O-N 3.06Å; I570-R740 PolarHBondContact O-N 3.32Å
571T92.7Very high86.6Confident1 Ų123.1 Ų23.11%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-99.2122.8170-56.20000109.5L565 I724 L725 L726 R740L565-T571 HydrophobicContact CD2-CG2 3.91Å; T571-I724 PolarHBondContact N-O 3.25Å; T571-L725 HydrophobicContact CG2-CD1 3.98Å; T571-L725 WeakPolarHBondContact O-CA 3.43Å; T571-L725 WeakPolarHBondContact O-CD1 3.37Å; T571-L726 PolarHBondContact O-N 3.47Å; T571-R740 CarbonylContact C-O 3.46Å; T571-R740 VanDerWaalsContact CA-O 3.3Å; T571-R740 WeakPolarHBondContact CA-O 3.28Å; T571-R740 HydrophobicContact CG2-CB 4.35Å
572A92.8Very high86.4Confident0 Ų025.3 Ų25.30%016%0.157CC..EExtended strand (participates in β ladder)trans-98.6114.417600000110.7L726 A734 R740 I741 A742A572-L726 CarbonylContact C-O 3.5Å; A572-L726 WeakPolarHBondContact CA-O 2.99Å; A572-L726 HydrophobicContact CB-CD1 3.68Å; A572-L726 HydrophobicContact CB-CG 4.21Å; A572-A734 HydrophobicContact CB-CB 3.83Å; A572-R740 PolarHBondContact N-O 2.74Å; A572-I741 HydrophobicContact CB-CG1 4.32Å; A572-I741 CarbonylContact O-C 3.33Å; A572-I741 WeakPolarHBondContact O-CA 3.29Å; A572-A742 PolarHBondContact O-N 2.76Å
573L93.1Very high86.4Confident0 Ų024.5 Ų24.50%015%0.151CC..EExtended strand (participates in β ladder)trans-94.9105.8176.7-177.967.4000110.5F561 T584 L725 L726 T727 A742 L744F561-L573 HydrophobicContact CZ-CD1 4.46Å; L573-T584 HydrophobicContact CD2-CG2 4.23Å; L573-L725 HydrophobicContact CB-CD1 4.22Å; L573-L726 PolarHBondContact N-O 2.81Å; L573-T727 HydrophobicContact CB-CG2 3.75Å; L573-T727 HydrophobicContact CD2-CG2 3.85Å; L573-T727 HydrophobicContact CG-CG2 4.06Å; L573-T727 WeakPolarHBondContact O-CA 3.43Å; L573-T727 WeakPolarHBondContact O-CB 3.24Å; L573-A742 CarbonylContact C-O 3.45Å; L573-A742 WeakPolarHBondContact CA-O 3.47Å; L573-A742 HydrophobicContact CD1-CB 3.86Å; L573-L744 HydrophobicContact CD1-CB 4.08Å
574L89.3Confident86.3Confident0 Ų024 Ų240%015%0.148CC..EExtended strand (participates in β ladder)trans-94.3158.1178.1-60.5-175.9000111.4T728 M731 A734 I741 A742 V743 L744 M846 F850L574-T728 HydrophobicContact CD2-CG2 3.8Å; L574-T728 WeakPolarHBondContact CD2-O 3.44Å; L574-M731 HydrophobicContact CD1-CE 4.13Å; L574-M731 HydrophobicContact CD1-SD 3.88Å; L574-M731 HydrophobicContact CD2-CE 3.58Å; L574-M731 HydrophobicContact CD2-SD 4.36Å; L574-M731 HydrophobicContact CG-CE 4.33Å; L574-A734 HydrophobicContact CD1-CB 4.04Å; L574-A734 HydrophobicContact CD2-CB 3.71Å; L574-A734 HydrophobicContact CG-CB 4.18Å; L574-I741 HydrophobicContact CD1-CG2 3.38Å; L574-I741 HydrophobicContact CG-CG2 3.83Å; L574-A742 PolarHBondContact N-O 3.23Å; L574-V743 HydrophobicContact CB-CG2 4.31Å; L574-V743 HydrophobicContact CD1-CG2 4.5Å; L574-L744 WeakPolarHBondContact O-CB 3.48Å; L574-L744 PolarHBondContact O-N 2.97Å; L574-M846 HydrophobicContact CD1-CG 4.07Å; L574-M846 HydrophobicContact CD1-SD 4.49Å; L574-F850 HydrophobicContact CB-CD2 4.28Å
575G84.8Confident86.3Confident7 Ų721.2 Ų21.27%0.07213%0.134CC..EExtended strand (participates in β ladder)trans167.2155.4-179.500000112.2K581 L744G575-K581 PolarHBondContact O-NZ 3.18Å; G575-L744 WeakPolarHBondContact CA-O 3.33Å
576H77.2Confident85.9Confident27 Ų2722 Ų2213%0.12514%0.14CC..  trans-69.1167.9173.160.982.1000110.9G578 A579 K581 S745 N746 F850 I1563H576-G578 PolarHBondContact O-N 3.05Å; H576-A579 VanDerWaalsContact O-CB 3.25Å; H576-A579 WeakPolarHBondContact O-CB 3.36Å; H576-A579 PolarHBondContact O-N 2.94Å; H576-A579 VanDerWaalsContact O-N 3.12Å; H576-K581 PolarHBondContact O-NZ 3.37Å; H576-S745 PolarHBondContact NE2-OG 3.14Å; H576-N746 PolarHBondContact NE2-N 3.11Å; H576-F850 HydrophobicContact CB-CZ 4.35Å; H576-I1563 HydrophobicContact CB-CD1 4.3Å
577N74.6Confident85.7Confident67 Ų6720.8 Ų20.836%0.35814%0.135SC..THydrogen-bonded Turntrans-60.5129.1172.1-75.7-31.4000109.7D1561N577-D1561 PolarHBondContact ND2-OD2 3.18Å
578G71Confident85.5Confident78 Ų7817 Ų1780%0.80412%0.12SC*.THydrogen-bonded Turntrans84.43.1-175.600000115.9H576 G580H576-G578 PolarHBondContact O-N 3.05Å; G578-G580 PolarHBondContact O-N 3.39Å
579A81.3Confident85.3Confident1 Ų116.1 Ų16.11%0.00811%0.111CC..SBendtrans-67.6-16.9178.900000114.9H576 L744 G747H576-A579 VanDerWaalsContact O-CB 3.25Å; H576-A579 WeakPolarHBondContact O-CB 3.36Å; H576-A579 PolarHBondContact O-N 2.94Å; H576-A579 VanDerWaalsContact O-N 3.12Å; A579-L744 HydrophobicContact CB-CD2 4.23Å; A579-L744 HydrophobicContact CB-CG 4.19Å; A579-L744 WeakPolarHBondContact CB-O 3.46Å; A579-L744 WeakPolarHBondContact O-CD2 3.24Å; A579-L744 WeakPolarHBondContact O-CG 3.27Å; A579-G747 VanDerWaalsContact O-CA 3.28Å; A579-G747 WeakPolarHBondContact O-CA 3.48Å; A579-G747 PolarHBondContact O-N 3.34Å
580G84.5Confident84.4Confident5 Ų514.8 Ų14.85%0.05211%0.108CC..SBendtrans113.63.8-17700000115.4G578 T583 T584 L744G578-G580 PolarHBondContact O-N 3.39Å; G580-T583 WeakPolarHBondContact O-CB 3.44Å; G580-T583 PolarHBondContact O-N 3.46Å; G580-T584 PolarHBondContact O-N 3.14Å; G580-T584 PolarHBondContact O-OG1 3.41Å; G580-L744 VanDerWaalsContact C-CD2 3.44Å
581K88Confident83.3Confident11 Ų1115.5 Ų15.55%0.04812%0.116CC..Hα-helixtrans-54.7-61.7-177.3-57.8-166.4-57.3-88.40113.6G575 H576 T583 T584 M585 E698 T727 L744G575-K581 PolarHBondContact O-NZ 3.18Å; H576-K581 PolarHBondContact O-NZ 3.37Å; K581-T583 PolarHBondContact O-N 2.85Å; K581-T584 VanDerWaalsContact O-CB 3.26Å; K581-T584 WeakPolarHBondContact O-CB 3.25Å; K581-T584 PolarHBondContact O-N 3.2Å; K581-M585 PolarHBondContact O-N 3.06Å; K581-E698 WeakPolarHBondContact CE-OE1 3.48Å; K581-T727 HydrophobicContact CB-CG2 3.9Å; K581-T727 HydrophobicContact CD-CG2 4.31Å; K581-T727 HydrophobicContact CG-CG2 4.49Å; K581-L744 HydrophobicContact CG-CD2 4.17Å
582S84.3Confident82.2Confident45 Ų4517.7 Ų17.732%0.31513%0.127SC..Hα-helixtrans-67-24.5-179.9-45.40000112.5S586 D697S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 3.01Å; S582-S586 PolarHBondContact O-OG 3.46Å; S582-D697 PolarHBondContact OG-OD1 3.45Å
583T85.2Confident81.2Confident26 Ų2619.5 Ų19.516%0.1614%0.137CC..Hα-helixtrans-65.7-43.8170.9-55.90000110.9K546 F548 A557 L558 G580 K581 S586 I587K546-T583 HydrophobicContact CB-CG2 4.14Å; K546-T583 HydrophobicContact CG-CG2 3.75Å; F548-T583 HydrophobicContact CE2-CG2 3.77Å; F548-T583 HydrophobicContact CZ-CG2 4.07Å; A557-T583 HydrophobicContact CB-CG2 4.09Å; L558-T583 HydrophobicContact CD1-CG2 4.06Å; L558-T583 HydrophobicContact CG-CG2 4.29Å; G580-T583 WeakPolarHBondContact O-CB 3.44Å; G580-T583 PolarHBondContact O-N 3.46Å; K581-T583 PolarHBondContact O-N 2.85Å; T583-S586 PolarHBondContact O-N 2.86Å; T583-I587 HydrophobicContact CG2-CD1 4.23Å; T583-I587 WeakPolarHBondContact O-CG1 3.05Å; T583-I587 PolarHBondContact O-N 3.37Å
584T88.2Confident80.4Confident0 Ų024 Ų240%016%0.161CC..Hα-helixtrans-59.9-47174.7-52.10000111M541 L558 F561 L573 G580 K581 S586 I587 L588M541-T584 HydrophobicContact CE-CG2 3.72Å; M541-T584 HydrophobicContact SD-CG2 4.17Å; L558-T584 WeakPolarHBondContact CD2-OG1 3.36Å; F561-T584 HydrophobicContact CD1-CG2 4.19Å; F561-T584 HydrophobicContact CE1-CG2 3.47Å; F561-T584 VanDerWaalsContact CE1-CG2 3.47Å; F561-T584 HydrophobicContact CZ-CG2 3.82Å; L573-T584 HydrophobicContact CD2-CG2 4.23Å; G580-T584 PolarHBondContact O-N 3.14Å; G580-T584 PolarHBondContact O-OG1 3.41Å; K581-T584 VanDerWaalsContact O-CB 3.26Å; K581-T584 WeakPolarHBondContact O-CB 3.25Å; K581-T584 PolarHBondContact O-N 3.2Å; T584-S586 VanDerWaalsContact C-N 3.32Å; T584-S586 PolarHBondContact O-N 2.72Å; T584-I587 PolarHBondContact O-N 2.62Å; T584-I587 VanDerWaalsContact O-N 3.17Å; T584-L588 PolarHBondContact O-N 3.34Å
585M88.7Confident79.7Confident0 Ų025 Ų250%017%0.167CC..Hα-helixtrans-58.2-42.9174.2-69.5-67.1-176.400112.3K581 I587 L588 T589 Y620 L695 D697 L725 T727K581-M585 PolarHBondContact O-N 3.06Å; M585-I587 VanDerWaalsContact C-N 3.28Å; M585-I587 PolarHBondContact O-N 3.04Å; M585-L588 PolarHBondContact O-N 3.23Å; M585-T589 WeakPolarHBondContact O-CG2 3.24Å; M585-T589 PolarHBondContact O-N 3.11Å; M585-T589 PolarHBondContact O-OG1 3.45Å; M585-T589 VanDerWaalsContact O-OG1 3.12Å; M585-Y620 HydrophobicContact CB-CE2 4.43Å; M585-L695 HydrophobicContact SD-CB 4.07Å; M585-D697 HydrophobicContact CG-CB 4.27Å; M585-L725 HydrophobicContact CE-CB 4.45Å; M585-L725 HydrophobicContact CE-CD2 3.73Å; M585-L725 HydrophobicContact CE-CG 3.64Å; M585-L725 HydrophobicContact SD-CD2 3.9Å; M585-L725 HydrophobicContact SD-CG 4.39Å; M585-T727 HydrophobicContact CE-CG2 3.4Å; M585-T727 HydrophobicContact CG-CG2 4.28Å
586S82.6Confident79.3Confident21 Ų2126.3 Ų26.315%0.14717%0.172CC..Hα-helixtrans-68.7-26179.7-58.30000113.5S582 T583 T584 T589 L593S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 3.01Å; S582-S586 PolarHBondContact O-OG 3.46Å; T583-S586 PolarHBondContact O-N 2.86Å; T584-S586 VanDerWaalsContact C-N 3.32Å; T584-S586 PolarHBondContact O-N 2.72Å; S586-T589 WeakPolarHBondContact CA-OG1 3.28Å; S586-T589 PolarHBondContact O-OG1 3.31Å; S586-L593 VanDerWaalsContact CB-CD1 3.48Å; S586-L593 PolarHBondContact O-N 3.02Å
587I85.5Confident79.4Confident3 Ų326.1 Ų26.12%0.01517%0.173CC..Hα-helixtrans-76.1-46173.1-70.3167000110.3V544 K546 L558 T583 T584 M585 T589 G590 L593 V600 L607V544-I587 HydrophobicContact CG1-CD1 3.98Å; K546-I587 HydrophobicContact CB-CD1 4.11Å; K546-I587 HydrophobicContact CD-CD1 4.31Å; K546-I587 HydrophobicContact CG-CD1 4.34Å; L558-I587 HydrophobicContact CD1-CD1 3.58Å; T583-I587 HydrophobicContact CG2-CD1 4.23Å; T583-I587 WeakPolarHBondContact O-CG1 3.05Å; T583-I587 PolarHBondContact O-N 3.37Å; T584-I587 PolarHBondContact O-N 2.62Å; T584-I587 VanDerWaalsContact O-N 3.17Å; M585-I587 VanDerWaalsContact C-N 3.28Å; M585-I587 PolarHBondContact O-N 3.04Å; I587-T589 VanDerWaalsContact C-N 3.28Å; I587-T589 PolarHBondContact O-N 3.13Å; I587-G590 WeakPolarHBondContact O-CA 3.44Å; I587-G590 PolarHBondContact O-N 3.42Å; I587-L593 WeakPolarHBondContact CA-O 3.12Å; I587-L593 HydrophobicContact CG1-CB 4.33Å; I587-V600 HydrophobicContact CG2-CG2 3.94Å; I587-L607 WeakPolarHBondContact O-CD2 3.47Å
588L86.1Confident79.6Confident4 Ų424.5 Ų24.52%0.02117%0.172CC..Hα-helixtrans-60.2-36.6177.6-80.2171000113.9V539 M541 T584 M585 G590 V600 L607 L695 L725V539-L588 HydrophobicContact CG1-CD2 3.57Å; M541-L588 HydrophobicContact CE-CB 4.48Å; M541-L588 HydrophobicContact CE-CD1 3.39Å; M541-L588 HydrophobicContact CE-CD2 3.14Å; M541-L588 HydrophobicContact CE-CG 3.07Å; T584-L588 PolarHBondContact O-N 3.34Å; M585-L588 PolarHBondContact O-N 3.23Å; L588-G590 PolarHBondContact O-N 3.5Å; L588-V600 HydrophobicContact CD2-CG1 4.09Å; L588-L607 WeakPolarHBondContact O-CD2 3.22Å; L588-L695 HydrophobicContact CB-CD1 3.63Å; L588-L695 HydrophobicContact CB-CD2 4.38Å; L588-L695 HydrophobicContact CD1-CD2 3.91Å; L588-L725 HydrophobicContact CD1-CD2 3.25Å
589T82.5Confident80.1Confident0 Ų023.4 Ų23.40%015%0.152CC..THydrogen-bonded Turntrans-66.6-12.2175.750.50000113.2V307 M585 S586 I587 G591 L592 F611 Y620 L695V307-T589 HydrophobicContact CG1-CG2 3.87Å; V307-T589 HydrophobicContact CG2-CG2 4.44Å; M585-T589 WeakPolarHBondContact O-CG2 3.24Å; M585-T589 PolarHBondContact O-N 3.11Å; M585-T589 PolarHBondContact O-OG1 3.45Å; M585-T589 VanDerWaalsContact O-OG1 3.12Å; S586-T589 WeakPolarHBondContact CA-OG1 3.28Å; S586-T589 PolarHBondContact O-OG1 3.31Å; I587-T589 VanDerWaalsContact C-N 3.28Å; I587-T589 PolarHBondContact O-N 3.13Å; T589-G591 PolarHBondContact O-N 2.82Å; T589-L592 WeakPolarHBondContact OG1-CD1 3.29Å; T589-F611 WeakPolarHBondContact O-CE2 3.46Å; T589-Y620 HydrophobicContact CG2-CD1 3.85Å; T589-Y620 HydrophobicContact CG2-CD2 3.66Å; T589-Y620 HydrophobicContact CG2-CE1 4Å; T589-Y620 HydrophobicContact CG2-CE2 3.83Å; T589-Y620 HydrophobicContact CG2-CG 3.66Å; T589-L695 HydrophobicContact CG2-CD1 3.82Å
590G69.7Low80.3Confident14 Ų1423.5 Ų23.514%0.14415%0.152CC..SBendtrans66.7-32.3171.600000116.7I587 L588I587-G590 WeakPolarHBondContact O-CA 3.44Å; I587-G590 PolarHBondContact O-N 3.42Å; L588-G590 PolarHBondContact O-N 3.5Å
591G66.7Low80.4Confident15 Ų1524.7 Ų24.716%0.15516%0.161CC..SBendtrans-90.8-12.7-177.200000114.9T589T589-G591 PolarHBondContact O-N 2.82Å
592L69.5Low80.2Confident48 Ų4824.6 Ų24.625%0.25116%0.162SC..SBendtrans-100.7-52.2-173.6-59.2-179.3000112.8E303 V307 T589 Y620E303-L592 HydrophobicContact CB-CD2 3.68Å; E303-L592 HydrophobicContact CG-CD2 4.17Å; V307-L592 HydrophobicContact CG2-CD1 4.14Å; V307-L592 HydrophobicContact CG2-CD2 3.99Å; V307-L592 HydrophobicContact CG2-CG 3.82Å; T589-L592 WeakPolarHBondContact OG1-CD1 3.29Å; L592-Y620 HydrophobicContact CD1-CE1 4.15Å
593L72.7Confident80.2Confident37 Ų3725.2 Ų25.219%0.19416%0.162CC..  trans-138.9135.6-177.4-79.8166.4000110.7F548 S586 I587F548-L593 HydrophobicContact CE1-CD1 4.25Å; F548-L593 HydrophobicContact CE1-CD2 3.8Å; F548-L593 HydrophobicContact CZ-CD1 3.8Å; F548-L593 HydrophobicContact CZ-CD2 4.08Å; S586-L593 VanDerWaalsContact CB-CD1 3.48Å; S586-L593 PolarHBondContact O-N 3.02Å; I587-L593 WeakPolarHBondContact CA-O 3.12Å; I587-L593 HydrophobicContact CG1-CB 4.33Å
594L75Confident79.7Confident96 Ų9627.6 Ų27.650%0.50319%0.191SC..  trans-93.2146.4170.2-71.3101000111.1K546 L608K546-L594 WeakPolarHBondContact CD-O 3.1Å; K546-L594 WeakPolarHBondContact CE-O 3.45Å; K546-L594 PolarHBondContact NZ-O 3.47Å; L594-L608 HydrophobicContact CD2-CD2 3.57Å; L594-L608 HydrophobicContact CG-CD2 4.09Å
595P76.1Confident79.4Confident21 Ų2129.8 Ų29.814%0.13620%0.204CC..  trans-64.7151.9168.831.1-34.5000110.5V544 L608V544-P595 HydrophobicContact CG1-CB 3.88Å; P595-L608 HydrophobicContact CG-CD1 4.35Å
596N76.3Confident78.9Confident34 Ų3432.5 Ų32.518%0.18222%0.219CC..SBendtrans-82.1-37.4172.7-73.294.6000111.5I514 Y545 K546 V547I514-N596 HydrophobicContact CD1-CB 4.33Å; Y545-N596 WeakPolarHBondContact O-CB 3.34Å; Y545-N596 PolarHBondContact O-N 3.03Å; K546-N596 WeakPolarHBondContact CA-OD1 3.49Å; K546-N596 WeakPolarHBondContact CD-OD1 3.29Å; K546-N596 PolarHBondContact NZ-OD1 3.05Å; V547-N596 PolarHBondContact N-OD1 2.86Å; V547-N596 PolarHBondContact O-OD1 3.18Å
597V78Confident78.6Confident23 Ų2331.7 Ų31.714%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-144.5153175.7-177.60000107.1I514 L515 V544 Y545I514-V597 HydrophobicContact CB-CG2 4.24Å; I514-V597 HydrophobicContact CG2-CG2 3.97Å; L515-V597 HydrophobicContact CD1-CG1 4.11Å; V544-V597 CarbonylContact C-O 3.59Å; V544-V597 WeakPolarHBondContact CA-O 3.33Å; Y545-V597 HydrophobicContact CD2-CB 4.13Å; Y545-V597 HydrophobicContact CD2-CG1 4.32Å; Y545-V597 HydrophobicContact CG-CB 4.44Å; Y545-V597 PolarHBondContact N-O 2.8Å; Y545-V597 PolarHBondContact O-N 2.59Å
598G79.5Confident77.8Confident32 Ų3235.2 Ų35.233%0.3323%0.232SC..EExtended strand (participates in β ladder)trans100.2166.5-178.700000113.4S542 H543S542-G598 VanDerWaalsContact O-CA 3.26Å; S542-G598 WeakPolarHBondContact O-CA 3.2Å; H543-G598 VanDerWaalsContact O-CA 3.27Å; H543-G598 WeakPolarHBondContact O-CA 3.21Å
599S81.6Confident77.1Confident55 Ų5539.9 Ų39.939%0.38526%0.263SS..EExtended strand (participates in β ladder)trans-120.4149.8-179.1550000111.2S542S542-S599 PolarHBondContact N-O 3.14Å; S542-S599 PolarHBondContact O-N 3.41Å; S542-S599 VanDerWaalsContact O-N 3.14Å
600V86Confident76.7Confident3 Ų343.8 Ų43.82%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-128.9110.9175.9-178.30000107.9M541 V544 I587 L588 L607M541-V600 HydrophobicContact CG-CG1 4.37Å; M541-V600 HydrophobicContact CG-CG2 4.24Å; V544-V600 HydrophobicContact CG2-CG2 4.03Å; I587-V600 HydrophobicContact CG2-CG2 3.94Å; L588-V600 HydrophobicContact CD2-CG1 4.09Å; V600-L607 HydrophobicContact CB-CB 4.3Å; V600-L607 HydrophobicContact CB-CD2 4.34Å; V600-L607 HydrophobicContact CG1-CB 4.26Å; V600-L607 HydrophobicContact CG1-CD2 3.9Å; V600-L607 WeakPolarHBondContact O-CB 3.35Å; V600-L607 PolarHBondContact O-N 2.87Å
601A85.2Confident76.9Confident30 Ų3045.3 Ų45.325%0.24828%0.284CS..EExtended strand (participates in β ladder)trans-105.2135.3179.200000110.7V539 S540 V605V539-A601 CarbonylContact C-O 3.5Å; V539-A601 WeakPolarHBondContact CA-O 2.96Å; S540-A601 PolarHBondContact N-O 3.26Å; S540-A601 PolarHBondContact O-N 2.9Å; A601-V605 CarbonylContact C-O 3.56Å; A601-V605 WeakPolarHBondContact CA-O 3.38Å
602V85.3Confident77Confident9 Ų946.8 Ų46.86%0.05530%0.3CS..EExtended strand (participates in β ladder)trans-120.1120.2174.2177.60000108.4T538 V539 G604 V605 L607 V614 I693T538-V602 CarbonylContact O-C 3.21Å; T538-V602 WeakPolarHBondContact O-CA 3.44Å; V539-V602 HydrophobicContact CG1-CG2 4.34Å; V539-V602 HydrophobicContact CG2-CG2 4.28Å; V602-G604 PolarHBondContact O-N 3.31Å; V602-V605 PolarHBondContact N-O 2.84Å; V602-V605 WeakPolarHBondContact O-CB 3.36Å; V602-V605 PolarHBondContact O-N 3.39Å; V602-L607 HydrophobicContact CG2-CD1 4.18Å; V602-V614 HydrophobicContact CB-CG1 4.04Å; V602-V614 HydrophobicContact CG1-CG1 3.9Å; V602-V614 HydrophobicContact CG2-CG1 4.08Å; V602-I693 HydrophobicContact CG1-CD1 3.23Å
603N83Confident77.2Confident59 Ų5951.6 Ų51.632%0.31631%0.314SS..THydrogen-bonded Turntrans50.237.5-172.6-72.5-30.9000112.8R536 T538 V605 E692R536-N603 VanDerWaalsContact NH2-CG 3.3Å; R536-N603 PolarHBondContact NH2-ND2 3.26Å; R536-N603 PolarHBondContact NH2-OD1 2.84Å; T538-N603 PolarHBondContact O-N 2.79Å; N603-V605 PolarHBondContact O-N 2.98Å; N603-E692 PolarHBondContact ND2-OE1 2.99Å; N603-E692 PolarHBondContact ND2-OE2 3.47Å; N603-E692 VanDerWaalsContact ND2-OE2 3.15Å
604G76.4Confident77.5Confident75 Ų7550.3 Ų50.377%0.77331%0.308SS*.THydrogen-bonded Turntrans76.9-4.8-175.900000115.5V602V602-G604 PolarHBondContact O-N 3.31Å
605V80.4Confident77.7Confident46 Ų4645.8 Ų45.828%0.27929%0.285SS..EExtended strand (participates in β ladder)trans-96.8129.5178-175.40000110A601 V602 N603 L607 E610A601-V605 CarbonylContact C-O 3.56Å; A601-V605 WeakPolarHBondContact CA-O 3.38Å; V602-V605 PolarHBondContact N-O 2.84Å; V602-V605 WeakPolarHBondContact O-CB 3.36Å; V602-V605 PolarHBondContact O-N 3.39Å; N603-V605 PolarHBondContact O-N 2.98Å; V605-L607 PolarHBondContact O-N 2.83Å; V605-E610 HydrophobicContact CG1-CB 4.05Å; V605-E610 HydrophobicContact CG1-CG 4.19Å
606D78Confident77.7Confident58 Ų5849.9 Ų49.931%0.3130%0.297SS..EExtended strand (participates in β ladder)trans-63.4122.7175.8-173.7-6.4000111.1L608 C609 E610D606-L608 PolarHBondContact O-N 3.3Å; D606-L608 PolarHBondContact OD1-N 2.72Å; D606-L608 VanDerWaalsContact OD1-N 3.09Å; D606-C609 HydrophobicContact CB-CB 4.42Å; D606-C609 PolarHBondContact O-N 3.4Å; D606-C609 VanDerWaalsContact O-N 3.16Å; D606-E610 PolarHBondContact O-N 3.07Å
607L77.1Confident78Confident3 Ų351.5 Ų51.52%0.01630%0.303CS..THydrogen-bonded Turntrans-55.9-32.8-179-176.568.7000112.1I587 L588 V600 V602 V605 F611 V614 I618I587-L607 WeakPolarHBondContact O-CD2 3.47Å; L588-L607 WeakPolarHBondContact O-CD2 3.22Å; V600-L607 HydrophobicContact CB-CB 4.3Å; V600-L607 HydrophobicContact CB-CD2 4.34Å; V600-L607 HydrophobicContact CG1-CB 4.26Å; V600-L607 HydrophobicContact CG1-CD2 3.9Å; V600-L607 WeakPolarHBondContact O-CB 3.35Å; V600-L607 PolarHBondContact O-N 2.87Å; V602-L607 HydrophobicContact CG2-CD1 4.18Å; V605-L607 PolarHBondContact O-N 2.83Å; L607-F611 HydrophobicContact CD1-CD2 4.47Å; L607-F611 PolarHBondContact O-N 3.21Å; L607-V614 HydrophobicContact CD1-CB 4.05Å; L607-V614 HydrophobicContact CD1-CG1 3.56Å; L607-V614 HydrophobicContact CD1-CG2 4.43Å; L607-I618 HydrophobicContact CD1-CD1 4.49Å
608L69.2Low78.5Confident78 Ų7850.6 Ų50.641%0.40830%0.297SS..THydrogen-bonded Turntrans-75-29.6-176.9-62.7-177.7000113.1L594 P595 D606L594-L608 HydrophobicContact CD2-CD2 3.57Å; L594-L608 HydrophobicContact CG-CD2 4.09Å; P595-L608 HydrophobicContact CG-CD1 4.35Å; D606-L608 PolarHBondContact O-N 3.3Å; D606-L608 PolarHBondContact OD1-N 2.72Å; D606-L608 VanDerWaalsContact OD1-N 3.09Å
609C71.9Confident79Confident102 Ų10249 Ų4969%0.68928%0.281SS*.THydrogen-bonded Turntrans-80.6-40.9-178.1-71.10000112.4D606D606-C609 HydrophobicContact CB-CB 4.42Å; D606-C609 PolarHBondContact O-N 3.4Å; D606-C609 VanDerWaalsContact O-N 3.16Å
610E72.4Confident79.5Confident81 Ų8146.8 Ų46.838%0.37926%0.264SS..  trans-125.339.7-172-65.3-163.7176.800114.7V605 D606 G612 R613 V614V605-E610 HydrophobicContact CG1-CB 4.05Å; V605-E610 HydrophobicContact CG1-CG 4.19Å; D606-E610 PolarHBondContact O-N 3.07Å; E610-G612 VanDerWaalsContact C-N 3.28Å; E610-G612 PolarHBondContact O-N 3.2Å; E610-G612 VanDerWaalsContact O-N 3.09Å; E610-R613 HydrophobicContact CB-CB 4.45Å; E610-R613 PolarHBondContact O-N 3.48Å; E610-R613 VanDerWaalsContact OE2-CD 3.27Å; E610-R613 WeakPolarHBondContact OE2-CD 3.4Å; E610-R613 IonicContact OE2-CZ 3.89Å; E610-R613 IonicContact OE2-NE 3.53Å; E610-R613 IonicContact OE2-NH1 3.8Å; E610-R613 PolarHBondContact OE2-NH1 3.12Å; E610-V614 PolarHBondContact O-N 3.48Å
611F73.8Confident79.8Confident47 Ų4746.6 Ų46.621%0.20626%0.263CS..Hα-helixtrans-48.3-43.6-177.2177.9-107.1000114.6T589 L607 R613 V614 S615T589-F611 WeakPolarHBondContact O-CE2 3.46Å; L607-F611 HydrophobicContact CD1-CD2 4.47Å; L607-F611 PolarHBondContact O-N 3.21Å; F611-R613 PolarHBondContact O-N 3.43Å; F611-V614 PolarHBondContact O-N 3.13Å; F611-S615 WeakPolarHBondContact O-CB 3.31Å; F611-S615 PolarHBondContact O-N 2.93Å; F611-S615 PolarHBondContact O-OG 3.2Å
612G70.5Confident79.9Confident46 Ų4645.2 Ų45.247%0.47425%0.252SS..Hα-helixtrans-66.7-18.7-176.800000115E610 S615 R616E610-G612 VanDerWaalsContact C-N 3.28Å; E610-G612 PolarHBondContact O-N 3.2Å; E610-G612 VanDerWaalsContact O-N 3.09Å; G612-S615 PolarHBondContact O-OG 3.06Å; G612-R616 PolarHBondContact O-NE 3.01Å
613R73.5Confident79.8Confident148 Ų14849.6 Ų49.656%0.55827%0.272SS*.Hα-helixtrans-88.3-44172.4-173.4-178.8168.3-171.3-1.7110.4E610 F611 R616 F617E610-R613 HydrophobicContact CB-CB 4.45Å; E610-R613 PolarHBondContact O-N 3.48Å; E610-R613 VanDerWaalsContact OE2-CD 3.27Å; E610-R613 WeakPolarHBondContact OE2-CD 3.4Å; E610-R613 IonicContact OE2-CZ 3.89Å; E610-R613 IonicContact OE2-NE 3.53Å; E610-R613 IonicContact OE2-NH1 3.8Å; E610-R613 PolarHBondContact OE2-NH1 3.12Å; F611-R613 PolarHBondContact O-N 3.43Å; R613-R616 PolarHBondContact O-N 3.33Å; R613-F617 HydrophobicContact CG-CE2 4.49Å; R613-F617 WeakPolarHBondContact O-CD2 3.49Å; R613-F617 WeakPolarHBondContact O-CE2 3.43Å
614V78.4Confident79.7Confident10 Ų1050.3 Ų50.36%0.06127%0.27CS..Hα-helixtrans-65.6-38.7-179.6-178.20000112.2V602 L607 E610 F611 R616 F617 I618V602-V614 HydrophobicContact CB-CG1 4.04Å; V602-V614 HydrophobicContact CG1-CG1 3.9Å; V602-V614 HydrophobicContact CG2-CG1 4.08Å; L607-V614 HydrophobicContact CD1-CB 4.05Å; L607-V614 HydrophobicContact CD1-CG1 3.56Å; L607-V614 HydrophobicContact CD1-CG2 4.43Å; E610-V614 PolarHBondContact O-N 3.48Å; F611-V614 PolarHBondContact O-N 3.13Å; V614-R616 PolarHBondContact O-N 3.48Å; V614-F617 PolarHBondContact O-N 3Å; V614-I618 HydrophobicContact CG1-CD1 3.72Å; V614-I618 HydrophobicContact CG1-CG1 4.22Å; V614-I618 PolarHBondContact O-N 3.21Å
615S78.4Confident80.2Confident2 Ų249 Ų491%0.01425%0.246CC..THydrogen-bonded Turntrans-58.7-20.7-178.372.80000114.2V307 F611 G612 F617V307-S615 WeakPolarHBondContact O-CB 3.12Å; F611-S615 WeakPolarHBondContact O-CB 3.31Å; F611-S615 PolarHBondContact O-N 2.93Å; F611-S615 PolarHBondContact O-OG 3.2Å; G612-S615 PolarHBondContact O-OG 3.06Å; S615-F617 VanDerWaalsContact C-N 3.34Å
616R77.5Confident80.3Confident106 Ų10646.9 Ų46.940%0.423%0.233SC..THydrogen-bonded Turntrans-75.6-24.3178.4-59.4-178.6-169.7-1790.4112.8G612 R613 V614G612-R616 PolarHBondContact O-NE 3.01Å; R613-R616 PolarHBondContact O-N 3.33Å; V614-R616 PolarHBondContact O-N 3.48Å
617F82.7Confident80.8Confident69 Ų6944.4 Ų44.430%0.30322%0.22SC..THydrogen-bonded Turntrans-97-12.7-179.1-57.1-75.1000112.4R613 V614 S615 S691 E692 I693R613-F617 HydrophobicContact CG-CE2 4.49Å; R613-F617 WeakPolarHBondContact O-CD2 3.49Å; R613-F617 WeakPolarHBondContact O-CE2 3.43Å; V614-F617 PolarHBondContact O-N 3Å; S615-F617 VanDerWaalsContact C-N 3.34Å; F617-S691 CarbonylContact O-C 3.56Å; F617-S691 VanDerWaalsContact O-CA 3.29Å; F617-S691 WeakPolarHBondContact O-CA 3.35Å; F617-S691 WeakPolarHBondContact O-CB 3.42Å; F617-E692 HydrophobicContact CB-CB 4.35Å; F617-E692 PolarHBondContact O-N 3.1Å; F617-I693 PolarHBondContact O-N 3.29Å; F617-I693 VanDerWaalsContact O-N 3.1Å
618I88.7Confident81.4Confident3 Ų344.6 Ų44.62%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-87.8127.6179.7-64.6176.4000110.7L607 V614 I693 L695L607-I618 HydrophobicContact CD1-CD1 4.49Å; V614-I618 HydrophobicContact CG1-CD1 3.72Å; V614-I618 HydrophobicContact CG1-CG1 4.22Å; V614-I618 PolarHBondContact O-N 3.21Å; I618-I693 CarbonylContact C-O 3.57Å; I618-I693 WeakPolarHBondContact CA-O 3.3Å; I618-I693 HydrophobicContact CG1-CB 4.41Å; I618-L695 HydrophobicContact CG2-CD1 4.03Å; I618-L695 HydrophobicContact CG2-CG 4.38Å
619G89.9Confident82Confident0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-100.6136.7160.600000109.2A686 S691 I693 V694 L695G619-A686 VanDerWaalsContact CA-O 3.24Å; G619-A686 WeakPolarHBondContact CA-O 3.5Å; G619-S691 WeakPolarHBondContact CA-OG 3.3Å; G619-S691 PolarHBondContact N-OG 3.32Å; G619-I693 PolarHBondContact N-O 2.7Å; G619-V694 CarbonylContact O-C 3.6Å; G619-V694 WeakPolarHBondContact O-CA 3.26Å; G619-L695 PolarHBondContact O-N 2.77Å
620Y91.8Very high82.7Confident7 Ų742.2 Ų42.23%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-134133.3-179.2179.6-131000111.1F304 V307 M308 M585 T589 L592 P622 L695F304-Y620 HydrophobicContact CD2-CD1 4.05Å; F304-Y620 HydrophobicContact CE2-CD1 4.09Å; F304-Y620 VanDerWaalsContact CE2-O 3.24Å; F304-Y620 WeakPolarHBondContact CE2-O 3.1Å; V307-Y620 HydrophobicContact CG1-CD1 4.06Å; V307-Y620 HydrophobicContact CG1-CG 4.27Å; M308-Y620 WeakPolarHBondContact CE-O 3.02Å; M585-Y620 HydrophobicContact CB-CE2 4.43Å; T589-Y620 HydrophobicContact CG2-CD1 3.85Å; T589-Y620 HydrophobicContact CG2-CD2 3.66Å; T589-Y620 HydrophobicContact CG2-CE1 4Å; T589-Y620 HydrophobicContact CG2-CE2 3.83Å; T589-Y620 HydrophobicContact CG2-CG 3.66Å; L592-Y620 HydrophobicContact CD1-CE1 4.15Å; Y620-P622 HydrophobicContact CE1-CB 3.7Å; Y620-P622 HydrophobicContact CE1-CG 4.09Å; Y620-P622 HydrophobicContact CE2-CB 4.42Å; Y620-L695 CarbonylContact C-O 3.49Å; Y620-L695 WeakPolarHBondContact CA-O 3.48Å; Y620-L695 HydrophobicContact CD2-CB 3.83Å
621C91.8Very high83.5Confident0 Ų038.3 Ų38.30%018%0.181CC..EExtended strand (participates in β ladder)trans-123.8101.5169.8-175.20000108.1A686 L695 L696 D697C621-A686 HydrophobicContact CB-CB 4.03Å; C621-L695 PolarHBondContact N-O 3.33Å; C621-L696 HydrophobicContact CB-CD2 3.49Å; C621-L696 VanDerWaalsContact CB-CD2 3.49Å; C621-D697 WeakPolarHBondContact O-CB 3.21Å; C621-D697 PolarHBondContact O-N 3.02Å
622P87.4Confident84.4Confident0 Ų036.5 Ų36.50%017%0.173CC..  trans-71.5171.4179.427-32.7000112.5F304 Y620 Y624 P626 R679 D697F304-P622 HydrophobicContact CD2-CG 4.26Å; F304-P622 HydrophobicContact CE2-CG 4.3Å; Y620-P622 HydrophobicContact CE1-CB 3.7Å; Y620-P622 HydrophobicContact CE1-CG 4.09Å; Y620-P622 HydrophobicContact CE2-CB 4.42Å; P622-Y624 VanDerWaalsContact C-N 3.28Å; P622-Y624 HydrophobicContact CB-CD1 3.91Å; P622-Y624 HydrophobicContact CB-CE1 3.64Å; P622-Y624 HydrophobicContact CG-CD1 4.32Å; P622-Y624 HydrophobicContact CG-CE1 4.02Å; P622-Y624 HydrophobicContact CG-CE2 4.34Å; P622-Y624 PolarHBondContact O-N 2.73Å; P622-Y624 VanDerWaalsContact O-O 3.06Å; P622-P626 HydrophobicContact CG-CG 3.61Å; P622-R679 VanDerWaalsContact O-CZ 3.31Å; P622-R679 PolarHBondContact O-NH1 3.37Å; P622-R679 PolarHBondContact O-NH2 3.24Å; P622-D697 CarbonylContact C-O 3.55Å
623Q82.8Confident85.4Confident102 Ų10234.3 Ų34.348%0.47715%0.151SC..SBendtrans-61.1-31.1175.7-170.9179.931.200114.1R679 D697 E698Q623-R679 PolarHBondContact O-NH1 3.4Å; Q623-D697 VanDerWaalsContact CA-O 3.29Å; Q623-D697 WeakPolarHBondContact CA-O 3.38Å; Q623-D697 WeakPolarHBondContact CB-OD2 3.19Å; Q623-D697 PolarHBondContact N-O 3.46Å; Q623-D697 PolarHBondContact N-OD2 3.41Å; Q623-E698 HydrophobicContact CG-CB 4.26Å; Q623-E698 HydrophobicContact CG-CG 4.38Å
624Y80.9Confident86.3Confident74 Ų7428.5 Ų28.529%0.2913%0.13SC..SBendtrans-91.3168.217463.8-82.6000110.7R300 P622 P626 R679R300-Y624 HydrophobicContact CB-CE2 4.03Å; R300-Y624 VanDerWaalsContact CB-OH 3.24Å; R300-Y624 WeakPolarHBondContact CB-OH 3.19Å; P622-Y624 VanDerWaalsContact C-N 3.28Å; P622-Y624 HydrophobicContact CB-CD1 3.91Å; P622-Y624 HydrophobicContact CB-CE1 3.64Å; P622-Y624 HydrophobicContact CG-CD1 4.32Å; P622-Y624 HydrophobicContact CG-CE1 4.02Å; P622-Y624 HydrophobicContact CG-CE2 4.34Å; P622-Y624 PolarHBondContact O-N 2.73Å; P622-Y624 VanDerWaalsContact O-O 3.06Å; Y624-P626 HydrophobicContact CD2-CB 4.31Å; Y624-P626 HydrophobicContact CE2-CB 3.81Å; Y624-P626 HydrophobicContact CE2-CG 4.42Å; Y624-P626 WeakPolarHBondContact O-CD 2.85Å; Y624-R679 PolarHBondContact O-NH1 2.98Å
625N86.3Confident87Confident48 Ų4829.5 Ų29.526%0.25713%0.134SC..  trans-99.693.2-179.9-66.5-29.8000111.1L627 K678 R679N625-L627 HydrophobicContact CB-CD1 4.47Å; N625-L627 PolarHBondContact O-N 3.38Å; N625-K678 HydrophobicContact CB-CB 4.38Å; N625-R679 WeakPolarHBondContact OD1-CD 3.25Å; N625-R679 PolarHBondContact OD1-NH1 2.91Å
626P84.2Confident87.7Confident1 Ų129.4 Ų29.41%0.00613%0.133CC..  trans-77.169.8-179.933.7-39.7000111.1L301 F304 P622 Y624L301-P626 VanDerWaalsContact CD2-C 3.42Å; L301-P626 HydrophobicContact CD2-CB 3.97Å; L301-P626 WeakPolarHBondContact CD2-O 3.01Å; F304-P626 HydrophobicContact CB-CB 3.99Å; F304-P626 HydrophobicContact CB-CG 4.44Å; F304-P626 HydrophobicContact CD1-CB 3.67Å; F304-P626 HydrophobicContact CD1-CG 3.65Å; F304-P626 HydrophobicContact CD2-CB 4.15Å; F304-P626 HydrophobicContact CD2-CG 3.67Å; F304-P626 HydrophobicContact CE1-CB 4.16Å; F304-P626 HydrophobicContact CE1-CG 3.66Å; F304-P626 HydrophobicContact CE2-CG 3.69Å; F304-P626 HydrophobicContact CG-CB 3.67Å; F304-P626 HydrophobicContact CG-CG 3.65Å; F304-P626 HydrophobicContact CZ-CG 3.69Å; P622-P626 HydrophobicContact CG-CG 3.61Å; Y624-P626 HydrophobicContact CD2-CB 4.31Å; Y624-P626 HydrophobicContact CE2-CB 3.81Å; Y624-P626 HydrophobicContact CE2-CG 4.42Å; Y624-P626 WeakPolarHBondContact O-CD 2.85Å
627L88.6Confident88.4Confident6 Ų624.4 Ų24.43%0.03111%0.114CC..  trans-111.8144.3-179.9-59.7175.6000110.9N625 N629 A670 K678 L681 I685N625-L627 HydrophobicContact CB-CD1 4.47Å; N625-L627 PolarHBondContact O-N 3.38Å; L627-N629 PolarHBondContact O-N 3.5Å; L627-A670 HydrophobicContact CB-CB 4.08Å; L627-A670 HydrophobicContact CD1-CB 4.27Å; L627-K678 HydrophobicContact CD1-CB 3.62Å; L627-K678 HydrophobicContact CD1-CG 3.84Å; L627-L681 HydrophobicContact CD1-CB 4.49Å; L627-L681 HydrophobicContact CD1-CD2 4.11Å; L627-L681 HydrophobicContact CD1-CG 4.49Å; L627-L681 HydrophobicContact CD2-CD2 3.98Å; L627-L681 HydrophobicContact CD2-CG 4Å; L627-I685 HydrophobicContact CD2-CD1 3.53Å
628F87.7Confident88.8Confident6 Ų624 Ų243%0.02611%0.113CC..  trans-75.8117.5168.3-60.6-80000108K13 L301 M305 E630 L631 H636 F639 A670K13-F628 HydrophobicContact CD-CD1 4.26Å; K13-F628 HydrophobicContact CD-CE1 3.91Å; K13-F628 HydrophobicContact CD-CZ 4.1Å; L301-F628 HydrophobicContact CB-CE1 4.36Å; L301-F628 HydrophobicContact CD1-CD1 3.76Å; L301-F628 HydrophobicContact CD1-CE1 3.73Å; L301-F628 HydrophobicContact CG-CE1 4.43Å; M305-F628 HydrophobicContact CE-CZ 4.27Å; M305-F628 HydrophobicContact SD-CZ 3.86Å; F628-E630 PolarHBondContact O-N 3.05Å; F628-E630 VanDerWaalsContact O-N 3.09Å; F628-L631 HydrophobicContact CB-CB 4.05Å; F628-L631 HydrophobicContact CB-CD1 3.71Å; F628-L631 HydrophobicContact CB-CG 3.83Å; F628-L631 HydrophobicContact CD2-CD1 3.5Å; F628-L631 HydrophobicContact CE2-CD1 4.33Å; F628-L631 HydrophobicContact CG-CD1 3.77Å; F628-L631 HydrophobicContact CG-CG 4.39Å; F628-L631 PolarHBondContact O-N 3.15Å; F628-H636 AromaticContact CD2-NE2 3.97Å; F628-H636 PolarHBondContact N-NE2 3.45Å; F628-H636 PolarHBondContact O-CE1 3.31Å; F628-H636 PolarHBondContact O-NE2 3.23Å; F628-F639 HydrophobicContact CE2-CD1 4.17Å; F628-F639 AromaticContact CE2-CE1 3.82Å; F628-F639 HydrophobicContact CE2-CE1 3.82Å; F628-F639 HydrophobicContact CE2-CZ 4.46Å; F628-F639 HydrophobicContact CZ-CE1 4.28Å; F628-A670 WeakPolarHBondContact O-CB 3.26Å
629N83.6Confident88.9Confident61 Ų6123.9 Ų23.933%0.32611%0.112SC..THydrogen-bonded Turntrans-56.6-32.4-174.4-79.1-33.1000112.7L627 A670 C671L627-N629 PolarHBondContact O-N 3.5Å; N629-A670 PolarHBondContact O-N 2.9Å; N629-C671 HydrophobicContact CB-CB 3.99Å; N629-C671 VanDerWaalsContact O-CB 3.31Å; N629-C671 WeakPolarHBondContact O-CB 3.49Å; N629-C671 PolarHBondContact O-N 3.36Å; N629-C671 PolarHBondContact O-SG 3.08Å; N629-C671 VanDerWaalsContact O-SG 3.34Å
630E85Confident89Confident69 Ų6923.9 Ų23.932%0.32211%0.112SC..THydrogen-bonded Turntrans-87.3-26.9-172.9-59.370.7-151.500113.1V17 R20 F628V17-E630 HydrophobicContact CG1-CB 4.42Å; V17-E630 HydrophobicContact CG1-CG 4.1Å; V17-E630 HydrophobicContact CG2-CB 4.37Å; R20-E630 HydrophobicContact CB-CB 4.37Å; R20-E630 WeakPolarHBondContact CD-O 3.32Å; R20-E630 PolarHBondContact NH1-O 3.34Å; F628-E630 PolarHBondContact O-N 3.05Å; F628-E630 VanDerWaalsContact O-N 3.09Å
631L90.2Very high88.8Confident0 Ų023.6 Ų23.60%011%0.111CC..SBendtrans-75.7148.1-176.1-71.1178.8000112.2K13 L16 R20 F628 E635 H636 A669 A670K13-L631 HydrophobicContact CG-CD1 4Å; L16-L631 HydrophobicContact CB-CD2 3.81Å; L16-L631 HydrophobicContact CD1-CD2 3.76Å; L16-L631 HydrophobicContact CG-CD2 4.48Å; R20-L631 VanDerWaalsContact NH1-CA 3.32Å; F628-L631 HydrophobicContact CB-CB 4.05Å; F628-L631 HydrophobicContact CB-CD1 3.71Å; F628-L631 HydrophobicContact CB-CG 3.83Å; F628-L631 HydrophobicContact CD2-CD1 3.5Å; F628-L631 HydrophobicContact CE2-CD1 4.33Å; F628-L631 HydrophobicContact CG-CD1 3.77Å; F628-L631 HydrophobicContact CG-CG 4.39Å; F628-L631 PolarHBondContact O-N 3.15Å; L631-E635 HydrophobicContact CB-CB 4.42Å; L631-E635 HydrophobicContact CD2-CB 4.24Å; L631-H636 WeakPolarHBondContact CB-CE1 3.31Å; L631-H636 WeakPolarHBondContact CB-ND1 3.25Å; L631-H636 PolarHBondContact O-CE1 3.3Å; L631-H636 VanDerWaalsContact O-CE1 3.26Å; L631-H636 PolarHBondContact O-ND1 2.9Å; L631-A669 CarbonylContact O-C 3.59Å; L631-A669 WeakPolarHBondContact O-CA 3.25Å; L631-A670 PolarHBondContact O-N 3.27Å
632T92.2Very high88.7Confident8 Ų826.9 Ų26.95%0.04913%0.128CC..BIsolated β-bridgetrans-78.1165.717666.90000112E634 E635 H636 H667 W668T632-E634 VanDerWaalsContact C-N 3.31Å; T632-E634 PolarHBondContact O-N 3.34Å; T632-E635 PolarHBondContact N-OE2 2.96Å; T632-E635 PolarHBondContact O-N 3.1Å; T632-E635 WeakPolarHBondContact OG1-CB 3.42Å; T632-E635 VanDerWaalsContact OG1-CD 3.26Å; T632-E635 VanDerWaalsContact OG1-CG 3.22Å; T632-E635 WeakPolarHBondContact OG1-CG 3.33Å; T632-E635 PolarHBondContact OG1-N 2.9Å; T632-E635 PolarHBondContact OG1-OE2 2.99Å; T632-H636 PolarHBondContact O-N 3.28Å; T632-H636 PolarHBondContact O-ND1 2.96Å; T632-H667 VanDerWaalsContact CG2-O 3.3Å; T632-H667 WeakPolarHBondContact CG2-O 3.41Å; T632-W668 VanDerWaalsContact CA-O 3.27Å; T632-W668 WeakPolarHBondContact CA-O 3.45Å
633V92.4Very high88.7Confident1 Ų127 Ų271%0.00613%0.129CC..Hα-helixtrans-54.2-49.3175.2-174.10000110.7E635 H636 L637 L657 L662 K665 R666 W668 L673 L681V633-E635 PolarHBondContact O-N 3.4Å; V633-H636 PolarHBondContact O-N 3.44Å; V633-L637 WeakPolarHBondContact O-CG 3.45Å; V633-L637 PolarHBondContact O-N 3.06Å; V633-L657 HydrophobicContact CB-CD2 4.35Å; V633-L657 HydrophobicContact CG1-CD2 3.48Å; V633-L657 VanDerWaalsContact CG1-CD2 3.48Å; V633-L662 HydrophobicContact CG1-CB 4.34Å; V633-L662 HydrophobicContact CG1-CD1 4.12Å; V633-K665 WeakPolarHBondContact CG2-O 3.45Å; V633-R666 PolarHBondContact N-O 3.26Å; V633-W668 PolarHBondContact N-O 3.1Å; V633-L673 HydrophobicContact CG2-CD1 3.89Å; V633-L673 HydrophobicContact CG2-CD2 4.27Å; V633-L681 HydrophobicContact CG1-CD1 3.76Å; V633-L681 HydrophobicContact CG1-CD2 4.39Å; V633-L681 HydrophobicContact CG2-CD2 4.46Å
634E92.2Very high88.8Confident26 Ų2622.3 Ų22.312%0.12111%0.107CC..Hα-helixtrans-62.9-42.9178.6176.1174.8-164.200112.9T632 H636 L637 K638 V653 R666 H667T632-E634 VanDerWaalsContact C-N 3.31Å; T632-E634 PolarHBondContact O-N 3.34Å; E634-H636 VanDerWaalsContact C-N 3.32Å; E634-H636 PolarHBondContact O-N 3.06Å; E634-L637 PolarHBondContact O-N 3.4Å; E634-K638 HydrophobicContact CG-CD 4.11Å; E634-K638 HydrophobicContact CG-CG 4.44Å; E634-K638 WeakPolarHBondContact O-CG 3.14Å; E634-K638 PolarHBondContact O-N 3.49Å; E634-K638 WeakPolarHBondContact OE1-CE 3.41Å; E634-K638 IonicContact OE1-NZ 2.67Å; E634-K638 PolarHBondContact OE1-NZ 3Å; E634-V653 HydrophobicContact CG-CG1 4.46Å; E634-R666 HydrophobicContact CB-CG 3.89Å; E634-R666 VanDerWaalsContact CD-NH2 3.27Å; E634-R666 PolarHBondContact N-O 2.89Å; E634-R666 IonicContact OE1-CZ 2.99Å; E634-R666 IonicContact OE1-NE 2.67Å; E634-R666 IonicContact OE1-NH2 3.9Å; E634-R666 PolarHBondContact OE1-NH2 2.97Å; E634-R666 IonicContact OE2-CZ 3.61Å; E634-R666 IonicContact OE2-NE 3.32Å; E634-R666 PolarHBondContact OE2-NE 2.77Å; E634-R666 IonicContact OE2-NH2 3.98Å; E634-H667 IonicContact OE2-CE1 2.85Å; E634-H667 IonicContact OE2-ND1 3.11Å
635E92.7Very high88.7Confident30 Ų3022.1 Ų22.114%0.1411%0.109CC..Hα-helixtrans-66.3-35.2-179.3-73.2164.4176.500112.3W12 L16 R20 L631 T632 V633 K638 F639W12-E635 HydrophobicContact CH2-CB 4.22Å; W12-E635 HydrophobicContact CH2-CG 4.22Å; W12-E635 HydrophobicContact CZ2-CG 4.41Å; L16-E635 HydrophobicContact CD1-CG 4.21Å; R20-E635 IonicContact CZ-OE1 3.63Å; R20-E635 IonicContact CZ-OE2 2.69Å; R20-E635 VanDerWaalsContact CZ-OE2 3.26Å; R20-E635 IonicContact NH1-OE1 2.82Å; R20-E635 IonicContact NH1-OE2 3.63Å; R20-E635 PolarHBondContact NH1-OE2 3.33Å; R20-E635 IonicContact NH2-OE1 2.8Å; R20-E635 PolarHBondContact NH2-OE1 3.12Å; R20-E635 IonicContact NH2-OE2 3.55Å; R20-E635 PolarHBondContact NH2-OE2 3.45Å; L631-E635 HydrophobicContact CB-CB 4.42Å; L631-E635 HydrophobicContact CD2-CB 4.24Å; T632-E635 PolarHBondContact N-OE2 2.96Å; T632-E635 PolarHBondContact O-N 3.1Å; T632-E635 WeakPolarHBondContact OG1-CB 3.42Å; T632-E635 VanDerWaalsContact OG1-CD 3.26Å; T632-E635 VanDerWaalsContact OG1-CG 3.22Å; T632-E635 WeakPolarHBondContact OG1-CG 3.33Å; T632-E635 PolarHBondContact OG1-N 2.9Å; T632-E635 PolarHBondContact OG1-OE2 2.99Å; V633-E635 PolarHBondContact O-N 3.4Å; E635-K638 PolarHBondContact O-N 3.19Å; E635-F639 WeakPolarHBondContact O-CB 3.34Å; E635-F639 PolarHBondContact O-N 2.84Å
636H93.4Very high88.4Confident0 Ų025 Ų250%012%0.116CC..Hα-helixtrans-60.6-47.8172.5-80.590.3000111.3F628 L631 T632 V633 E634 F639 Y640 L681 I685F628-H636 AromaticContact CD2-NE2 3.97Å; F628-H636 PolarHBondContact N-NE2 3.45Å; F628-H636 PolarHBondContact O-CE1 3.31Å; F628-H636 PolarHBondContact O-NE2 3.23Å; L631-H636 WeakPolarHBondContact CB-CE1 3.31Å; L631-H636 WeakPolarHBondContact CB-ND1 3.25Å; L631-H636 PolarHBondContact O-CE1 3.3Å; L631-H636 VanDerWaalsContact O-CE1 3.26Å; L631-H636 PolarHBondContact O-ND1 2.9Å; T632-H636 PolarHBondContact O-N 3.28Å; T632-H636 PolarHBondContact O-ND1 2.96Å; V633-H636 PolarHBondContact O-N 3.44Å; E634-H636 VanDerWaalsContact C-N 3.32Å; E634-H636 PolarHBondContact O-N 3.06Å; H636-F639 PolarHBondContact O-N 3.36Å; H636-Y640 VanDerWaalsContact O-CD2 3.27Å; H636-Y640 WeakPolarHBondContact O-CD2 3.21Å; H636-Y640 PolarHBondContact O-N 2.98Å; H636-L681 HydrophobicContact CB-CD1 4.16Å; H636-L681 HydrophobicContact CB-CD2 4.2Å; H636-L681 HydrophobicContact CB-CG 4.5Å; H636-I685 HydrophobicContact CB-CD1 4.16Å
637L92.4Very high88.2Confident1 Ų129.6 Ų29.61%0.00515%0.146CC..Hα-helixtrans-61.3-46.8179.2-66.7178.4000111.2V633 E634 F639 C641 V653 M656 L657 L681 A684 I685 I688V633-L637 WeakPolarHBondContact O-CG 3.45Å; V633-L637 PolarHBondContact O-N 3.06Å; E634-L637 PolarHBondContact O-N 3.4Å; L637-F639 PolarHBondContact O-N 3.34Å; L637-C641 WeakPolarHBondContact O-CB 3.38Å; L637-C641 PolarHBondContact O-N 3.04Å; L637-V653 HydrophobicContact CB-CG1 4.16Å; L637-V653 HydrophobicContact CB-CG2 4.4Å; L637-V653 HydrophobicContact CD1-CG1 3.95Å; L637-M656 HydrophobicContact CD1-CB 4.44Å; L637-L657 HydrophobicContact CD1-CD2 4.01Å; L637-L657 HydrophobicContact CD1-CG 3.99Å; L637-L681 HydrophobicContact CD2-CD1 4.07Å; L637-L681 HydrophobicContact CG-CD1 4.17Å; L637-A684 HydrophobicContact CD2-CB 3.67Å; L637-I685 HydrophobicContact CD2-CG1 4.33Å; L637-I688 HydrophobicContact CB-CD1 3.73Å; L637-I688 HydrophobicContact CD2-CD1 4.03Å; L637-I688 HydrophobicContact CG-CD1 4.37Å
638K91.1Very high87.8Confident62 Ų6232.3 Ų32.327%0.2716%0.16SC..Hα-helixtrans-59.9-45.8175.2-70.1-178.6-179.5173.60112E634 E635 L642 L648E634-K638 HydrophobicContact CG-CD 4.11Å; E634-K638 HydrophobicContact CG-CG 4.44Å; E634-K638 WeakPolarHBondContact O-CG 3.14Å; E634-K638 PolarHBondContact O-N 3.49Å; E634-K638 WeakPolarHBondContact OE1-CE 3.41Å; E634-K638 IonicContact OE1-NZ 2.67Å; E634-K638 PolarHBondContact OE1-NZ 3Å; E635-K638 PolarHBondContact O-N 3.19Å; K638-L642 WeakPolarHBondContact O-CB 3.34Å; K638-L642 VanDerWaalsContact O-CG 3.29Å; K638-L642 WeakPolarHBondContact O-CG 3.49Å; K638-L642 PolarHBondContact O-N 2.98Å; K638-L648 HydrophobicContact CB-CD1 4.23Å; K638-L648 HydrophobicContact CD-CD2 4.11Å; K638-L648 HydrophobicContact CG-CD1 3.8Å; K638-L648 HydrophobicContact CG-CD2 4Å
639F91.5Very high87.4Confident0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-60.1-51.6-178.8177.6-102.8000111.9L9 L10 W12 K13 M305 F628 E635 H636 L637 L642 L643L9-F639 HydrophobicContact CD1-CD2 3.99Å; L9-F639 HydrophobicContact CD2-CD2 4.08Å; L9-F639 HydrophobicContact CD2-CE2 4.11Å; L9-F639 HydrophobicContact CG-CD2 3.77Å; L9-F639 HydrophobicContact CG-CE2 3.84Å; L10-F639 HydrophobicContact CD2-CE2 4.35Å; L10-F639 HydrophobicContact CD2-CZ 4.15Å; W12-F639 HydrophobicContact CZ3-CB 4.19Å; W12-F639 HydrophobicContact CZ3-CD2 4.34Å; K13-F639 HydrophobicContact CB-CD2 3.98Å; K13-F639 HydrophobicContact CB-CE2 3.7Å; K13-F639 HydrophobicContact CG-CD2 4.24Å; K13-F639 HydrophobicContact CG-CE2 3.95Å; K13-F639 HydrophobicContact CG-CZ 4.35Å; M305-F639 HydrophobicContact CG-CE1 4.35Å; M305-F639 HydrophobicContact SD-CE1 4.06Å; M305-F639 HydrophobicContact SD-CZ 3.85Å; F628-F639 HydrophobicContact CE2-CD1 4.17Å; F628-F639 AromaticContact CE2-CE1 3.82Å; F628-F639 HydrophobicContact CE2-CE1 3.82Å; F628-F639 HydrophobicContact CE2-CZ 4.46Å; F628-F639 HydrophobicContact CZ-CE1 4.28Å; E635-F639 WeakPolarHBondContact O-CB 3.34Å; E635-F639 PolarHBondContact O-N 2.84Å; H636-F639 PolarHBondContact O-N 3.36Å; L637-F639 PolarHBondContact O-N 3.34Å; F639-L642 PolarHBondContact O-N 3.35Å; F639-L643 HydrophobicContact CE1-CD2 4.24Å; F639-L643 WeakPolarHBondContact O-CB 3.42Å; F639-L643 PolarHBondContact O-N 2.99Å
640Y90.5Very high87.3Confident0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-73.6-31.7-177.3-74.8-71.4000113.3F304 M305 M308 H636 L643 K644 I685F304-Y640 AromaticContact CD1-CE1 3.81Å; F304-Y640 HydrophobicContact CD1-CE1 3.81Å; F304-Y640 AromaticContact CD1-CZ 3.73Å; F304-Y640 WeakPolarHBondContact CD1-OH 3.39Å; F304-Y640 HydrophobicContact CE1-CD1 4.37Å; F304-Y640 AromaticContact CE1-CE1 3.55Å; F304-Y640 HydrophobicContact CE1-CE1 3.55Å; F304-Y640 HydrophobicContact CE1-CE2 4.15Å; F304-Y640 AromaticContact CE1-CZ 3.43Å; F304-Y640 VanDerWaalsContact CE1-CZ 3.43Å; F304-Y640 WeakPolarHBondContact CE1-OH 3.39Å; M305-Y640 HydrophobicContact CG-CE1 4.41Å; M308-Y640 HydrophobicContact CG-CD1 4.23Å; M308-Y640 HydrophobicContact CG-CE1 4.46Å; H636-Y640 VanDerWaalsContact O-CD2 3.27Å; H636-Y640 WeakPolarHBondContact O-CD2 3.21Å; H636-Y640 PolarHBondContact O-N 2.98Å; Y640-L643 HydrophobicContact CD1-CD2 4Å; Y640-L643 HydrophobicContact CE1-CD2 4.17Å; Y640-L643 PolarHBondContact O-N 3.07Å; Y640-K644 WeakPolarHBondContact O-CG 3.05Å; Y640-K644 PolarHBondContact O-N 2.93Å; Y640-K644 VanDerWaalsContact O-N 3.15Å; Y640-I685 HydrophobicContact CD1-CG2 4Å; Y640-I685 HydrophobicContact CD2-CB 4.26Å; Y640-I685 HydrophobicContact CD2-CD1 3.75Å; Y640-I685 HydrophobicContact CD2-CG1 3.76Å; Y640-I685 HydrophobicContact CD2-CG2 3.46Å; Y640-I685 VanDerWaalsContact CD2-CG2 3.46Å; Y640-I685 HydrophobicContact CE1-CG2 4.47Å; Y640-I685 HydrophobicContact CE2-CD1 3.79Å; Y640-I685 HydrophobicContact CE2-CG1 4.32Å; Y640-I685 HydrophobicContact CE2-CG2 3.98Å; Y640-I685 HydrophobicContact CG-CG1 4.48Å; Y640-I685 HydrophobicContact CG-CG2 3.48Å; Y640-I685 VanDerWaalsContact CG-CG2 3.48Å
641C89.1Confident87.3Confident1 Ų139.1 Ų39.11%0.00721%0.207CC..Hα-helixtrans-59.3-49.3170.9-177.30000111.2L637 L643 K644 R646 L648 I688L637-C641 WeakPolarHBondContact O-CB 3.38Å; L637-C641 PolarHBondContact O-N 3.04Å; C641-L643 PolarHBondContact O-N 3.27Å; C641-K644 PolarHBondContact O-N 3.27Å; C641-R646 PolarHBondContact O-N 3.38Å; C641-L648 HydrophobicContact CB-CD1 4.4Å; C641-I688 HydrophobicContact CB-CD1 4.14Å; C641-I688 HydrophobicContact CB-CG1 4.18Å
642L89Confident87.2Confident68 Ų6841 Ų4136%0.35622%0.216SC..Hα-helixtrans-68.4-32.4177.5-68173.8000112.7L9 K638 F639 K644 Q645 L648L9-L642 HydrophobicContact CD1-CB 3.9Å; L9-L642 HydrophobicContact CD1-CD1 3.69Å; L9-L642 HydrophobicContact CD1-CG 4.46Å; L9-L642 HydrophobicContact CD2-CB 3.71Å; L9-L642 HydrophobicContact CG-CB 4.45Å; K638-L642 WeakPolarHBondContact O-CB 3.34Å; K638-L642 VanDerWaalsContact O-CG 3.29Å; K638-L642 WeakPolarHBondContact O-CG 3.49Å; K638-L642 PolarHBondContact O-N 2.98Å; F639-L642 PolarHBondContact O-N 3.35Å; L642-K644 VanDerWaalsContact C-N 3.32Å; L642-K644 PolarHBondContact O-N 3.29Å; L642-Q645 WeakPolarHBondContact O-CA 3.39Å; L642-Q645 PolarHBondContact O-N 3.46Å; L642-L648 HydrophobicContact CD2-CB 4.16Å
643L86.6Confident86.9Confident2 Ų240.7 Ų40.71%0.0121%0.214CC..Hα-helixtrans-64.2-38.3177.8-17263.7000111.9L9 M305 M308 L310 F639 Y640 C641 Q645L9-L643 HydrophobicContact CD2-CB 4.18Å; L9-L643 HydrophobicContact CD2-CD1 4.45Å; M305-L643 HydrophobicContact CB-CD2 4.17Å; M305-L643 HydrophobicContact CG-CD2 4.2Å; M308-L643 HydrophobicContact CB-CD2 3.82Å; M308-L643 HydrophobicContact CB-CG 4.41Å; L310-L643 HydrophobicContact CB-CD1 4.12Å; L310-L643 HydrophobicContact CD1-CD1 3.9Å; F639-L643 HydrophobicContact CE1-CD2 4.24Å; F639-L643 WeakPolarHBondContact O-CB 3.42Å; F639-L643 PolarHBondContact O-N 2.99Å; Y640-L643 HydrophobicContact CD1-CD2 4Å; Y640-L643 HydrophobicContact CE1-CD2 4.17Å; Y640-L643 PolarHBondContact O-N 3.07Å; C641-L643 PolarHBondContact O-N 3.27Å; L643-Q645 PolarHBondContact O-N 2.95Å; L643-Q645 VanDerWaalsContact O-N 3.13Å
644K84.4Confident86.8Confident4 Ų443.4 Ų43.42%0.01723%0.227CC..THydrogen-bonded Turntrans-69.83172.1-68.6-179.5-177.5174.20113.5M308 Y640 C641 L642 R646 I685 A686 I688 S691M308-K644 WeakPolarHBondContact SD-CE 3.32Å; Y640-K644 WeakPolarHBondContact O-CG 3.05Å; Y640-K644 PolarHBondContact O-N 2.93Å; Y640-K644 VanDerWaalsContact O-N 3.15Å; C641-K644 PolarHBondContact O-N 3.27Å; L642-K644 VanDerWaalsContact C-N 3.32Å; L642-K644 PolarHBondContact O-N 3.29Å; K644-R646 VanDerWaalsContact C-N 3.26Å; K644-R646 PolarHBondContact O-N 3.42Å; K644-I685 PolarHBondContact NZ-O 2.86Å; K644-A686 PolarHBondContact NZ-O 3.15Å; K644-A686 VanDerWaalsContact NZ-O 3.15Å; K644-I688 WeakPolarHBondContact CD-O 3.46Å; K644-I688 PolarHBondContact NZ-O 2.84Å; K644-S691 PolarHBondContact NZ-OG 3.01Å
645Q78.8Confident86.6Confident70 Ų7047.5 Ų47.533%0.32724%0.241SC..THydrogen-bonded Turntrans61.530.3-179.8-52.8-179.57.200113.6L642 L643L642-Q645 WeakPolarHBondContact O-CA 3.39Å; L642-Q645 PolarHBondContact O-N 3.46Å; L643-Q645 PolarHBondContact O-N 2.95Å; L643-Q645 VanDerWaalsContact O-N 3.13Å
646R80.4Confident86.3Confident109 Ų10946.3 Ų46.341%0.41124%0.236SC..  trans-98.1146.4173.3-68.6-69.5-168.2160.61.9110.4C641 K644 L648 G689C641-R646 PolarHBondContact O-N 3.38Å; K644-R646 VanDerWaalsContact C-N 3.26Å; K644-R646 PolarHBondContact O-N 3.42Å; R646-L648 PolarHBondContact O-N 3.43Å; R646-G689 WeakPolarHBondContact CG-O 3.49Å
647P80.8Confident86Confident97 Ų9746.4 Ų46.463%0.6324%0.236SC*.  trans-61.8138.417327.5-33.4000109.2I649P647-I649 PolarHBondContact O-N 3.48Å; P647-I649 VanDerWaalsContact O-N 3.12Å
648L79.2Confident85.7Confident63 Ų6351.7 Ų51.733%0.3326%0.261SS..  trans-69.5111.2176.5-179.569.8000109K638 C641 L642 R646 P650 V653K638-L648 HydrophobicContact CB-CD1 4.23Å; K638-L648 HydrophobicContact CD-CD2 4.11Å; K638-L648 HydrophobicContact CG-CD1 3.8Å; K638-L648 HydrophobicContact CG-CD2 4Å; C641-L648 HydrophobicContact CB-CD1 4.4Å; L642-L648 HydrophobicContact CD2-CB 4.16Å; R646-L648 PolarHBondContact O-N 3.43Å; L648-P650 WeakPolarHBondContact O-CD 3.28Å; L648-V653 HydrophobicContact CD1-CG2 3.97Å
649I79.9Confident85.2Confident79 Ų7950.9 Ų50.941%0.40526%0.257SS..  trans-97.3109.9171.4-55.7177.1000107.6P647 T651 E652 V653P647-I649 PolarHBondContact O-N 3.48Å; P647-I649 VanDerWaalsContact O-N 3.12Å; I649-T651 WeakPolarHBondContact CG2-OG1 3.42Å; I649-T651 PolarHBondContact O-N 3.47Å; I649-E652 HydrophobicContact CB-CB 4.19Å; I649-E652 HydrophobicContact CG2-CB 4.45Å; I649-E652 PolarHBondContact O-N 3.06Å; I649-E652 VanDerWaalsContact O-N 3.13Å; I649-V653 PolarHBondContact O-N 3.05Å
650P82.1Confident84.7Confident96 Ų9651 Ų5162%0.62326%0.258SS*.Hα-helixtrans-59.5-32-178.5-23.633.9000113.1L648 E652 V653 E654L648-P650 WeakPolarHBondContact O-CD 3.28Å; P650-E652 VanDerWaalsContact C-N 3.34Å; P650-E652 PolarHBondContact O-N 3.45Å; P650-V653 PolarHBondContact O-N 3.28Å; P650-E654 PolarHBondContact O-N 3.03Å
651T85.3Confident84.2Confident104 Ų10455.7 Ų55.764%0.63828%0.283SS*.Hα-helixtrans-67.4-32.3178.658.70000112.6I649 E654 R655I649-T651 WeakPolarHBondContact CG2-OG1 3.42Å; I649-T651 PolarHBondContact O-N 3.47Å; T651-E654 PolarHBondContact O-N 3.38Å; T651-R655 VanDerWaalsContact O-CB 3.3Å; T651-R655 WeakPolarHBondContact O-CB 3.44Å; T651-R655 PolarHBondContact O-N 3.49Å
652E86.9Confident84Confident39 Ų3955.9 Ų55.918%0.18228%0.284CS..Hα-helixtrans-68.2-43.1175.4-170.4-177.1176.500110.9I649 P650 E654 R655 M656 I688 G689I649-E652 HydrophobicContact CB-CB 4.19Å; I649-E652 HydrophobicContact CG2-CB 4.45Å; I649-E652 PolarHBondContact O-N 3.06Å; I649-E652 VanDerWaalsContact O-N 3.13Å; P650-E652 VanDerWaalsContact C-N 3.34Å; P650-E652 PolarHBondContact O-N 3.45Å; E652-E654 VanDerWaalsContact C-N 3.34Å; E652-E654 PolarHBondContact O-N 3.33Å; E652-R655 PolarHBondContact O-N 2.86Å; E652-M656 WeakPolarHBondContact O-CG 3.28Å; E652-M656 PolarHBondContact O-N 3.34Å; E652-I688 HydrophobicContact CG-CG1 4.33Å; E652-G689 PolarHBondContact OE1-N 3.2Å
653V87Confident83.7Confident3 Ų354.9 Ų54.92%0.01828%0.282CS..Hα-helixtrans-61.6-44.5175.1177.50000110.7E634 L637 L648 I649 P650 M656 L657 I688E634-V653 HydrophobicContact CG-CG1 4.46Å; L637-V653 HydrophobicContact CB-CG1 4.16Å; L637-V653 HydrophobicContact CB-CG2 4.4Å; L637-V653 HydrophobicContact CD1-CG1 3.95Å; L648-V653 HydrophobicContact CD1-CG2 3.97Å; I649-V653 PolarHBondContact O-N 3.05Å; P650-V653 PolarHBondContact O-N 3.28Å; V653-M656 PolarHBondContact O-N 2.79Å; V653-L657 HydrophobicContact CG1-CD1 4.04Å; V653-L657 VanDerWaalsContact O-CG 3.31Å; V653-L657 WeakPolarHBondContact O-CG 3.43Å; V653-L657 PolarHBondContact O-N 3.17Å; V653-I688 HydrophobicContact CG2-CD1 3.97Å
654E88.8Confident83.6Confident57 Ų5759.6 Ų59.627%0.26632%0.316SS..Hα-helixtrans-64.2-44.7178.5-168.960-146.500111.7P650 T651 E652 M656 L657 Q658 R666P650-E654 PolarHBondContact O-N 3.03Å; T651-E654 PolarHBondContact O-N 3.38Å; E652-E654 VanDerWaalsContact C-N 3.34Å; E652-E654 PolarHBondContact O-N 3.33Å; E654-M656 PolarHBondContact O-N 2.95Å; E654-L657 PolarHBondContact O-N 2.89Å; E654-Q658 HydrophobicContact CG-CG 4.47Å; E654-Q658 WeakPolarHBondContact O-CB 3.42Å; E654-Q658 WeakPolarHBondContact O-CG 3.24Å; E654-Q658 PolarHBondContact O-N 2.79Å; E654-Q658 PolarHBondContact OE1-NE2 3.32Å; E654-Q658 VanDerWaalsContact OE1-NE2 3.08Å; E654-R666 IonicContact OE2-CZ 3.12Å; E654-R666 IonicContact OE2-NH1 3.66Å; E654-R666 PolarHBondContact OE2-NH1 3.2Å; E654-R666 IonicContact OE2-NH2 3.88Å
655R87.8Confident83.6Confident112 Ų11261.6 Ų61.642%0.42333%0.325SS..Hα-helixtrans-56.7-47.8175.5-176.6179172.2-154.8-15111.3T651 E652 L657 Q658 F659 E718T651-R655 VanDerWaalsContact O-CB 3.3Å; T651-R655 WeakPolarHBondContact O-CB 3.44Å; T651-R655 PolarHBondContact O-N 3.49Å; E652-R655 PolarHBondContact O-N 2.86Å; R655-L657 PolarHBondContact O-N 3.27Å; R655-Q658 PolarHBondContact O-N 2.74Å; R655-F659 VanDerWaalsContact O-CB 3.31Å; R655-F659 WeakPolarHBondContact O-CB 3.48Å; R655-F659 PolarHBondContact O-N 2.96Å; R655-E718 IonicContact CZ-OE1 2.64Å; R655-E718 IonicContact NH1-OE1 3.71Å; R655-E718 IonicContact NH2-OE1 2.94Å; R655-E718 PolarHBondContact NH2-OE1 3.13Å
656M87.2Confident84.1Confident6 Ų660.9 Ų60.93%0.0332%0.319CS..Hα-helixtrans-64-38.8178.3-68.5-63.4109.500112.7L637 E652 V653 E654 L660 L687 L714L637-M656 HydrophobicContact CD1-CB 4.44Å; E652-M656 WeakPolarHBondContact O-CG 3.28Å; E652-M656 PolarHBondContact O-N 3.34Å; V653-M656 PolarHBondContact O-N 2.79Å; E654-M656 PolarHBondContact O-N 2.95Å; M656-L660 WeakPolarHBondContact O-CB 3.49Å; M656-L660 PolarHBondContact O-N 3.07Å; M656-L687 HydrophobicContact SD-CB 4.4Å; M656-L714 HydrophobicContact CE-CD1 4.15Å; M656-L714 HydrophobicContact SD-CD1 4.46Å
657L88Confident84.6Confident1 Ų162.3 Ų62.31%0.00533%0.33CS..Hα-helixtrans-67.1-44.1178.6-76.1172.9000112.4V633 L637 V653 E654 R655 N661 L662 S663 R666V633-L657 HydrophobicContact CB-CD2 4.35Å; V633-L657 HydrophobicContact CG1-CD2 3.48Å; V633-L657 VanDerWaalsContact CG1-CD2 3.48Å; L637-L657 HydrophobicContact CD1-CD2 4.01Å; L637-L657 HydrophobicContact CD1-CG 3.99Å; V653-L657 HydrophobicContact CG1-CD1 4.04Å; V653-L657 VanDerWaalsContact O-CG 3.31Å; V653-L657 WeakPolarHBondContact O-CG 3.43Å; V653-L657 PolarHBondContact O-N 3.17Å; E654-L657 PolarHBondContact O-N 2.89Å; R655-L657 PolarHBondContact O-N 3.27Å; L657-N661 PolarHBondContact O-N 3.3Å; L657-L662 HydrophobicContact CD2-CB 4.18Å; L657-L662 PolarHBondContact O-N 2.95Å; L657-S663 VanDerWaalsContact C-OG 3.31Å; L657-S663 PolarHBondContact O-N 3.12Å; L657-S663 PolarHBondContact O-OG 2.83Å; L657-R666 HydrophobicContact CD1-CB 4.46Å; L657-R666 HydrophobicContact CD1-CG 4Å
658Q85.5Confident85Confident113 Ų11363.1 Ų63.153%0.52832%0.321SS..Hα-helixtrans-64.4-49.1177.6-72.5178.72.700110.7E654 R655 L660 N661 S663E654-Q658 HydrophobicContact CG-CG 4.47Å; E654-Q658 WeakPolarHBondContact O-CB 3.42Å; E654-Q658 WeakPolarHBondContact O-CG 3.24Å; E654-Q658 PolarHBondContact O-N 2.79Å; E654-Q658 PolarHBondContact OE1-NE2 3.32Å; E654-Q658 VanDerWaalsContact OE1-NE2 3.08Å; R655-Q658 PolarHBondContact O-N 2.74Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; Q658-L660 PolarHBondContact O-N 3.33Å; Q658-N661 PolarHBondContact O-N 3.24Å; Q658-S663 WeakPolarHBondContact CA-OG 3.18Å; Q658-S663 PolarHBondContact N-OG 2.72Å
659F81.2Confident85.5Confident45 Ų4560.9 Ų60.920%0.19731%0.311CS..Hα-helixtrans-60.6-42.6-176.8-154.2-75.4000112.9R655 N661 D710 K713 L714 E717R655-F659 VanDerWaalsContact O-CB 3.31Å; R655-F659 WeakPolarHBondContact O-CB 3.48Å; R655-F659 PolarHBondContact O-N 2.96Å; F659-N661 PolarHBondContact O-N 2.83Å; F659-D710 WeakPolarHBondContact CE1-O 3.39Å; F659-K713 HydrophobicContact CE1-CB 3.92Å; F659-K713 HydrophobicContact CZ-CB 3.86Å; F659-L714 HydrophobicContact CB-CD1 4.35Å; F659-L714 HydrophobicContact CD1-CB 3.55Å; F659-L714 HydrophobicContact CD1-CD1 3.66Å; F659-L714 HydrophobicContact CD1-CD2 4.38Å; F659-L714 HydrophobicContact CD1-CG 4.04Å; F659-L714 HydrophobicContact CD2-CD1 4.34Å; F659-L714 HydrophobicContact CE1-CB 3.38Å; F659-L714 HydrophobicContact CE1-CD1 4.06Å; F659-L714 HydrophobicContact CE1-CG 4.27Å; F659-L714 HydrophobicContact CG-CD1 3.81Å; F659-L714 HydrophobicContact CZ-CB 4.24Å; F659-E717 VanDerWaalsContact CE2-OE1 3.25Å; F659-E717 WeakPolarHBondContact CE2-OE1 3.06Å; F659-E717 WeakPolarHBondContact CE2-OE2 3.37Å; F659-E717 HydrophobicContact CZ-CG 4.44Å; F659-E717 WeakPolarHBondContact CZ-OE1 3.5Å
660L80Confident85.8Confident2 Ų257.1 Ų57.11%0.0129%0.292CS..THydrogen-bonded Turntrans-81.73.8-179.2-69.8169.6000113.7M656 Q658 L662 K680 A684 L714M656-L660 WeakPolarHBondContact O-CB 3.49Å; M656-L660 PolarHBondContact O-N 3.07Å; Q658-L660 VanDerWaalsContact C-N 3.33Å; Q658-L660 PolarHBondContact O-N 3.33Å; L660-L662 HydrophobicContact CB-CD1 4.21Å; L660-L662 HydrophobicContact CB-CG 4.19Å; L660-L662 PolarHBondContact O-N 2.98Å; L660-K680 HydrophobicContact CB-CD 4.28Å; L660-K680 WeakPolarHBondContact CD1-O 3.41Å; L660-K680 HydrophobicContact CD2-CB 4.18Å; L660-K680 HydrophobicContact CD2-CD 4.27Å; L660-K680 HydrophobicContact CD2-CG 4.25Å; L660-K680 VanDerWaalsContact O-CD 3.27Å; L660-K680 WeakPolarHBondContact O-CD 3.34Å; L660-K680 PolarHBondContact O-NZ 3.19Å; L660-A684 HydrophobicContact CD1-CB 3.39Å; L660-L714 HydrophobicContact CD1-CD2 4.3Å; L660-L714 HydrophobicContact CD2-CD2 3.69Å; L660-L714 HydrophobicContact CG-CD2 3.99Å
661N80.5Confident85.8Confident99 Ų9955.8 Ų55.853%0.52928%0.284SS..THydrogen-bonded Turntrans55.335.6-174.2-72.3-44000112.7L657 Q658 F659 D710L657-N661 PolarHBondContact O-N 3.3Å; Q658-N661 PolarHBondContact O-N 3.24Å; F659-N661 PolarHBondContact O-N 2.83Å; N661-D710 PolarHBondContact ND2-OD2 2.81Å; N661-D710 VanDerWaalsContact ND2-OD2 3.11Å
662L84.3Confident85.7Confident4 Ų458.2 Ų58.22%0.02129%0.286CS..  trans-103.60.6178.9-70.3178.6000113.4V633 L657 L660 S664 K665 R666 M677 K680 L681V633-L662 HydrophobicContact CG1-CB 4.34Å; V633-L662 HydrophobicContact CG1-CD1 4.12Å; L657-L662 HydrophobicContact CD2-CB 4.18Å; L657-L662 PolarHBondContact O-N 2.95Å; L660-L662 HydrophobicContact CB-CD1 4.21Å; L660-L662 HydrophobicContact CB-CG 4.19Å; L660-L662 PolarHBondContact O-N 2.98Å; L662-S664 VanDerWaalsContact C-N 3.34Å; L662-S664 PolarHBondContact O-N 3.07Å; L662-K665 CarbonylContact O-C 3.56Å; L662-K665 WeakPolarHBondContact O-CA 3.46Å; L662-K665 PolarHBondContact O-N 3.26Å; L662-R666 PolarHBondContact O-N 3.37Å; L662-M677 HydrophobicContact CD2-CB 4.21Å; L662-M677 HydrophobicContact CD2-CG 4.1Å; L662-K680 HydrophobicContact CD1-CB 4.06Å; L662-L681 HydrophobicContact CD1-CB 4.47Å
663S84.3Confident85.5Confident47 Ų4756.7 Ų56.733%0.32928%0.279SS..G310 helixtrans-55.3-43.2-178.9-53.20000113.5L657 Q658 K665 R666L657-S663 VanDerWaalsContact C-OG 3.31Å; L657-S663 PolarHBondContact O-N 3.12Å; L657-S663 PolarHBondContact O-OG 2.83Å; Q658-S663 WeakPolarHBondContact CA-OG 3.18Å; Q658-S663 PolarHBondContact N-OG 2.72Å; S663-K665 PolarHBondContact O-N 3.41Å; S663-R666 WeakPolarHBondContact O-CB 3.32Å; S663-R666 PolarHBondContact O-N 3.41Å
664S82.6Confident84.9Confident102 Ų10259.5 Ų59.571%0.71330%0.298SS*.G310 helixtrans-65.1-22.4177.861.40000113.5L662L662-S664 VanDerWaalsContact C-N 3.34Å; L662-S664 PolarHBondContact O-N 3.07Å
665K85.9Confident84.4Confident46 Ų4659 Ų5920%0.231%0.308CS..G310 helixtrans-110.214.2-178.8-61.8-174-179.5-173.60112.6V633 L662 S663 H667 W668 L673 M677V633-K665 WeakPolarHBondContact CG2-O 3.45Å; L662-K665 CarbonylContact O-C 3.56Å; L662-K665 WeakPolarHBondContact O-CA 3.46Å; L662-K665 PolarHBondContact O-N 3.26Å; S663-K665 PolarHBondContact O-N 3.41Å; K665-H667 PolarHBondContact O-N 3.38Å; K665-H667 VanDerWaalsContact O-N 3.1Å; K665-W668 HydrophobicContact CB-CB 4.22Å; K665-W668 HydrophobicContact CB-CD2 4.04Å; K665-W668 HydrophobicContact CB-CE3 4.41Å; K665-W668 HydrophobicContact CB-CG 3.96Å; K665-W668 HydrophobicContact CD-CD2 4.11Å; K665-W668 HydrophobicContact CD-CE3 3.73Å; K665-W668 HydrophobicContact CD-CH2 4.3Å; K665-W668 HydrophobicContact CD-CZ3 3.85Å; K665-W668 HydrophobicContact CG-CD2 3.84Å; K665-W668 HydrophobicContact CG-CE3 4.01Å; K665-W668 HydrophobicContact CG-CG 4.28Å; K665-W668 HydrophobicContact CG-CZ2 4.35Å; K665-W668 HydrophobicContact CG-CZ3 4.34Å; K665-W668 VanDerWaalsContact O-CB 3.31Å; K665-W668 WeakPolarHBondContact O-CB 3.23Å; K665-W668 PolarHBondContact O-N 3.45Å; K665-L673 HydrophobicContact CB-CD2 4.36Å; K665-L673 HydrophobicContact CD-CD2 4.3Å; K665-M677 HydrophobicContact CD-CE 4.39Å; K665-M677 HydrophobicContact CD-SD 3.8Å; K665-M677 PolarHBondContact NZ-SD 3.27Å
666R89Confident83.9Confident55 Ų5554 Ų5421%0.20829%0.292CS..THydrogen-bonded Turntrans-44.3-44.6178.5174.5-177.9-163.1130.315.2113.7V633 E634 E654 L657 L662 S663V633-R666 PolarHBondContact N-O 3.26Å; E634-R666 HydrophobicContact CB-CG 3.89Å; E634-R666 VanDerWaalsContact CD-NH2 3.27Å; E634-R666 PolarHBondContact N-O 2.89Å; E634-R666 IonicContact OE1-CZ 2.99Å; E634-R666 IonicContact OE1-NE 2.67Å; E634-R666 IonicContact OE1-NH2 3.9Å; E634-R666 PolarHBondContact OE1-NH2 2.97Å; E634-R666 IonicContact OE2-CZ 3.61Å; E634-R666 IonicContact OE2-NE 3.32Å; E634-R666 PolarHBondContact OE2-NE 2.77Å; E634-R666 IonicContact OE2-NH2 3.98Å; E654-R666 IonicContact OE2-CZ 3.12Å; E654-R666 IonicContact OE2-NH1 3.66Å; E654-R666 PolarHBondContact OE2-NH1 3.2Å; E654-R666 IonicContact OE2-NH2 3.88Å; L657-R666 HydrophobicContact CD1-CB 4.46Å; L657-R666 HydrophobicContact CD1-CG 4Å; L662-R666 PolarHBondContact O-N 3.37Å; S663-R666 WeakPolarHBondContact O-CB 3.32Å; S663-R666 PolarHBondContact O-N 3.41Å
667H90Very high83.9Confident139 Ų13956.2 Ų56.264%0.64430%0.303SS*.THydrogen-bonded Turntrans-93.55.9-177.1-57.1-59.3000113.9T632 E634 K665T632-H667 VanDerWaalsContact CG2-O 3.3Å; T632-H667 WeakPolarHBondContact CG2-O 3.41Å; E634-H667 IonicContact OE2-CE1 2.85Å; E634-H667 IonicContact OE2-ND1 3.11Å; K665-H667 PolarHBondContact O-N 3.38Å; K665-H667 VanDerWaalsContact O-N 3.1Å
668W89.6Confident83.9Confident114 Ų11458.6 Ų58.643%0.43231%0.313SS..SBendtrans-81.6135.3177.1-70.526000110.2T632 V633 K665 K672 L673T632-W668 VanDerWaalsContact CA-O 3.27Å; T632-W668 WeakPolarHBondContact CA-O 3.45Å; V633-W668 PolarHBondContact N-O 3.1Å; K665-W668 HydrophobicContact CB-CB 4.22Å; K665-W668 HydrophobicContact CB-CD2 4.04Å; K665-W668 HydrophobicContact CB-CE3 4.41Å; K665-W668 HydrophobicContact CB-CG 3.96Å; K665-W668 HydrophobicContact CD-CD2 4.11Å; K665-W668 HydrophobicContact CD-CE3 3.73Å; K665-W668 HydrophobicContact CD-CH2 4.3Å; K665-W668 HydrophobicContact CD-CZ3 3.85Å; K665-W668 HydrophobicContact CG-CD2 3.84Å; K665-W668 HydrophobicContact CG-CE3 4.01Å; K665-W668 HydrophobicContact CG-CG 4.28Å; K665-W668 HydrophobicContact CG-CZ2 4.35Å; K665-W668 HydrophobicContact CG-CZ3 4.34Å; K665-W668 VanDerWaalsContact O-CB 3.31Å; K665-W668 WeakPolarHBondContact O-CB 3.23Å; K665-W668 PolarHBondContact O-N 3.45Å; W668-K672 HydrophobicContact CE3-CB 4.33Å; W668-L673 HydrophobicContact CB-CD2 4.27Å; W668-L673 HydrophobicContact CE3-CD2 4.47Å
669A89Confident84Confident16 Ų1653.3 Ų53.313%0.13229%0.288CS..BIsolated β-bridgetrans-65.9146.6171.800000111L631 C671 K672L631-A669 CarbonylContact O-C 3.59Å; L631-A669 WeakPolarHBondContact O-CA 3.25Å; A669-C671 PolarHBondContact O-N 3.47Å; A669-C671 VanDerWaalsContact O-N 3.13Å; A669-K672 PolarHBondContact O-N 3.4Å
670A87.3Confident84.4Confident0 Ų051.9 Ų51.90%028%0.282CS..G310 helixtrans-56.4-34.3-177.300000112.7L627 F628 N629 L631 K672 L673 K678L627-A670 HydrophobicContact CB-CB 4.08Å; L627-A670 HydrophobicContact CD1-CB 4.27Å; F628-A670 WeakPolarHBondContact O-CB 3.26Å; N629-A670 PolarHBondContact O-N 2.9Å; L631-A670 PolarHBondContact O-N 3.27Å; A670-K672 PolarHBondContact O-N 3.14Å; A670-L673 HydrophobicContact CB-CD1 4.47Å; A670-L673 WeakPolarHBondContact O-CB 3.28Å; A670-L673 PolarHBondContact O-N 2.81Å; A670-K678 WeakPolarHBondContact O-CE 3.45Å
671C82Confident84.9Confident68 Ų6851.8 Ų51.846%0.45928%0.281SS..G310 helixtrans-60-27.7177.467.30000114.2N629 A669N629-C671 HydrophobicContact CB-CB 3.99Å; N629-C671 VanDerWaalsContact O-CB 3.31Å; N629-C671 WeakPolarHBondContact O-CB 3.49Å; N629-C671 PolarHBondContact O-N 3.36Å; N629-C671 PolarHBondContact O-SG 3.08Å; N629-C671 VanDerWaalsContact O-SG 3.34Å; A669-C671 PolarHBondContact O-N 3.47Å; A669-C671 VanDerWaalsContact O-N 3.13Å
672K82.5Confident85.5Confident154 Ų15447.1 Ų47.167%0.6726%0.257SS*.G310 helixtrans-85.7-8.5178.2-63.1-173.5179-178.50113.3W668 A669 A670W668-K672 HydrophobicContact CE3-CB 4.33Å; A669-K672 PolarHBondContact O-N 3.4Å; A670-K672 PolarHBondContact O-N 3.14Å
673L82.9Confident85.8Confident8 Ų847 Ų474%0.04226%0.256CS..SBendtrans-79.1147.1177.1-60.2177000110.8V633 K665 W668 A670 M677 K678 L681V633-L673 HydrophobicContact CG2-CD1 3.89Å; V633-L673 HydrophobicContact CG2-CD2 4.27Å; K665-L673 HydrophobicContact CB-CD2 4.36Å; K665-L673 HydrophobicContact CD-CD2 4.3Å; W668-L673 HydrophobicContact CB-CD2 4.27Å; W668-L673 HydrophobicContact CE3-CD2 4.47Å; A670-L673 HydrophobicContact CB-CD1 4.47Å; A670-L673 WeakPolarHBondContact O-CB 3.28Å; A670-L673 PolarHBondContact O-N 2.81Å; L673-M677 HydrophobicContact CB-CB 3.91Å; L673-M677 HydrophobicContact CD2-CB 4.26Å; L673-M677 HydrophobicContact CG-CB 4.49Å; L673-K678 HydrophobicContact CB-CG 3.8Å; L673-K678 WeakPolarHBondContact O-CE 3.48Å; L673-L681 HydrophobicContact CD1-CD2 4.19Å
674S75.3Confident86.1Confident61 Ų6144.8 Ų44.843%0.42724%0.24SC..  trans-66164.4169.3700000111G676 M677 K678S674-G676 VanDerWaalsContact C-N 3.32Å; S674-G676 PolarHBondContact O-N 3.49Å; S674-M677 PolarHBondContact O-N 3Å; S674-M677 VanDerWaalsContact O-N 3.15Å; S674-M677 WeakPolarHBondContact OG-CB 3.27Å; S674-M677 VanDerWaalsContact OG-CG 3.28Å; S674-M677 WeakPolarHBondContact OG-CG 3.42Å; S674-M677 PolarHBondContact OG-N 3.22Å; S674-K678 WeakPolarHBondContact O-CG 3.41Å; S674-K678 PolarHBondContact O-N 3.03Å
675G76.9Confident86.5Confident46 Ų4639.9 Ų39.947%0.47421%0.206SC..Hα-helixtrans-53.4-47.3176.200000112.9M677 K678 R679G675-M677 PolarHBondContact O-N 3.2Å; G675-K678 WeakPolarHBondContact O-CB 3.49Å; G675-K678 PolarHBondContact O-N 3.12Å; G675-R679 WeakPolarHBondContact O-CB 3.46Å; G675-R679 PolarHBondContact O-N 2.84Å
676G78.5Confident86.8Confident7 Ų737.7 Ų37.77%0.07220%0.197CC..Hα-helixtrans-64.6-37.2176.300000113.8S674 R679 K680 G702S674-G676 VanDerWaalsContact C-N 3.32Å; S674-G676 PolarHBondContact O-N 3.49Å; G676-R679 WeakPolarHBondContact O-CB 3.34Å; G676-R679 PolarHBondContact O-N 3.4Å; G676-K680 PolarHBondContact O-N 2.92Å; G676-G702 WeakPolarHBondContact CA-O 3.46Å; G676-G702 PolarHBondContact N-O 3.28Å
677M86.3Confident86.8Confident54 Ų5435.1 Ų35.127%0.26619%0.187SC..Hα-helixtrans-70.2-38.3176.4-72.3168-174.600112.4L662 K665 L673 S674 G675 R679 K680 L681L662-M677 HydrophobicContact CD2-CB 4.21Å; L662-M677 HydrophobicContact CD2-CG 4.1Å; K665-M677 HydrophobicContact CD-CE 4.39Å; K665-M677 HydrophobicContact CD-SD 3.8Å; K665-M677 PolarHBondContact NZ-SD 3.27Å; L673-M677 HydrophobicContact CB-CB 3.91Å; L673-M677 HydrophobicContact CD2-CB 4.26Å; L673-M677 HydrophobicContact CG-CB 4.49Å; S674-M677 PolarHBondContact O-N 3Å; S674-M677 VanDerWaalsContact O-N 3.15Å; S674-M677 WeakPolarHBondContact OG-CB 3.27Å; S674-M677 VanDerWaalsContact OG-CG 3.28Å; S674-M677 WeakPolarHBondContact OG-CG 3.42Å; S674-M677 PolarHBondContact OG-N 3.22Å; G675-M677 PolarHBondContact O-N 3.2Å; M677-R679 PolarHBondContact O-N 3.27Å; M677-K680 PolarHBondContact O-N 2.87Å; M677-L681 PolarHBondContact O-N 3.17Å
678K88.2Confident86.8Confident50 Ų5028.5 Ų28.522%0.21716%0.157CC..Hα-helixtrans-58.8-42.3169.9-72.6177.7178.8174.40110.4N625 L627 A670 L673 S674 G675 L681 C682N625-K678 HydrophobicContact CB-CB 4.38Å; L627-K678 HydrophobicContact CD1-CB 3.62Å; L627-K678 HydrophobicContact CD1-CG 3.84Å; A670-K678 WeakPolarHBondContact O-CE 3.45Å; L673-K678 HydrophobicContact CB-CG 3.8Å; L673-K678 WeakPolarHBondContact O-CE 3.48Å; S674-K678 WeakPolarHBondContact O-CG 3.41Å; S674-K678 PolarHBondContact O-N 3.03Å; G675-K678 WeakPolarHBondContact O-CB 3.49Å; G675-K678 PolarHBondContact O-N 3.12Å; K678-L681 WeakPolarHBondContact O-CB 3.4Å; K678-L681 PolarHBondContact O-N 3.5Å; K678-C682 PolarHBondContact O-N 3.39Å; K678-C682 PolarHBondContact O-SG 3.08Å; K678-C682 VanDerWaalsContact O-SG 3.4Å
679R88.5Confident86.6Confident3 Ų323.2 Ų23.21%0.01114%0.137CC..Hα-helixtrans-62.3-46177.5-163.172.6-176.4154.2-1112.2P622 Q623 Y624 N625 G675 G676 M677 L681 C682 V683 D697 E698 P699 M703P622-R679 VanDerWaalsContact O-CZ 3.31Å; P622-R679 PolarHBondContact O-NH1 3.37Å; P622-R679 PolarHBondContact O-NH2 3.24Å; Q623-R679 PolarHBondContact O-NH1 3.4Å; Y624-R679 PolarHBondContact O-NH1 2.98Å; N625-R679 WeakPolarHBondContact OD1-CD 3.25Å; N625-R679 PolarHBondContact OD1-NH1 2.91Å; G675-R679 WeakPolarHBondContact O-CB 3.46Å; G675-R679 PolarHBondContact O-N 2.84Å; G676-R679 WeakPolarHBondContact O-CB 3.34Å; G676-R679 PolarHBondContact O-N 3.4Å; M677-R679 PolarHBondContact O-N 3.27Å; R679-L681 VanDerWaalsContact C-N 3.29Å; R679-L681 PolarHBondContact O-N 2.79Å; R679-C682 WeakPolarHBondContact O-CB 3.31Å; R679-C682 PolarHBondContact O-N 3.43Å; R679-V683 PolarHBondContact O-N 3.45Å; R679-D697 PolarHBondContact NH2-O 3Å; R679-E698 PolarHBondContact NE-O 3.26Å; R679-E698 PolarHBondContact NH2-O 3.33Å; R679-P699 WeakPolarHBondContact CG-O 3.22Å; R679-P699 PolarHBondContact NE-O 3.41Å; R679-M703 HydrophobicContact CB-CE 3.7Å; R679-M703 HydrophobicContact CB-CG 4.22Å; R679-M703 HydrophobicContact CG-CE 3.52Å; R679-M703 HydrophobicContact CG-CG 4.22Å
680K88.6Confident86.4Confident15 Ų1523.9 Ų23.97%0.06515%0.146CC..Hα-helixtrans-55.6-45.3174.3-75.4-165.9177.1-168.90111.3L660 L662 G676 M677 C682 V683 A684 M703 A707 D710L660-K680 HydrophobicContact CB-CD 4.28Å; L660-K680 WeakPolarHBondContact CD1-O 3.41Å; L660-K680 HydrophobicContact CD2-CB 4.18Å; L660-K680 HydrophobicContact CD2-CD 4.27Å; L660-K680 HydrophobicContact CD2-CG 4.25Å; L660-K680 VanDerWaalsContact O-CD 3.27Å; L660-K680 WeakPolarHBondContact O-CD 3.34Å; L660-K680 PolarHBondContact O-NZ 3.19Å; L662-K680 HydrophobicContact CD1-CB 4.06Å; G676-K680 PolarHBondContact O-N 2.92Å; M677-K680 PolarHBondContact O-N 2.87Å; K680-C682 VanDerWaalsContact C-N 3.34Å; K680-C682 PolarHBondContact O-N 3.24Å; K680-V683 PolarHBondContact O-N 3.48Å; K680-A684 PolarHBondContact O-N 3.22Å; K680-M703 HydrophobicContact CB-CE 4.28Å; K680-M703 HydrophobicContact CG-CE 3.68Å; K680-M703 HydrophobicContact CG-SD 4.33Å; K680-A707 HydrophobicContact CD-CB 4.45Å; K680-D710 IonicContact NZ-OD2 2.64Å; K680-D710 PolarHBondContact NZ-OD2 2.94Å
681L91.6Very high86.5Confident0 Ų023.9 Ų23.90%015%0.146CC..Hα-helixtrans-62-39176.1179.555.2000112.5L627 V633 H636 L637 L662 L673 M677 K678 R679 A684 I685L627-L681 HydrophobicContact CD1-CB 4.49Å; L627-L681 HydrophobicContact CD1-CD2 4.11Å; L627-L681 HydrophobicContact CD1-CG 4.49Å; L627-L681 HydrophobicContact CD2-CD2 3.98Å; L627-L681 HydrophobicContact CD2-CG 4Å; V633-L681 HydrophobicContact CG1-CD1 3.76Å; V633-L681 HydrophobicContact CG1-CD2 4.39Å; V633-L681 HydrophobicContact CG2-CD2 4.46Å; H636-L681 HydrophobicContact CB-CD1 4.16Å; H636-L681 HydrophobicContact CB-CD2 4.2Å; H636-L681 HydrophobicContact CB-CG 4.5Å; L637-L681 HydrophobicContact CD2-CD1 4.07Å; L637-L681 HydrophobicContact CG-CD1 4.17Å; L662-L681 HydrophobicContact CD1-CB 4.47Å; L673-L681 HydrophobicContact CD1-CD2 4.19Å; M677-L681 PolarHBondContact O-N 3.17Å; K678-L681 WeakPolarHBondContact O-CB 3.4Å; K678-L681 PolarHBondContact O-N 3.5Å; R679-L681 VanDerWaalsContact C-N 3.29Å; R679-L681 PolarHBondContact O-N 2.79Å; L681-A684 WeakPolarHBondContact O-CB 3.18Å; L681-A684 PolarHBondContact O-N 3.44Å; L681-I685 HydrophobicContact CD1-CD1 4.23Å; L681-I685 HydrophobicContact CD1-CG1 4.3Å; L681-I685 HydrophobicContact CG-CD1 4.03Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.25Å; L681-I685 WeakPolarHBondContact O-CG1 3.39Å; L681-I685 PolarHBondContact O-N 3.38Å
682C91.4Very high86.8Confident1 Ų122.4 Ų22.41%0.00713%0.132CC..Hα-helixtrans-63.3-41.6174.8-68.80000112.6K678 R679 K680 A684 I685 A686K678-C682 PolarHBondContact O-N 3.39Å; K678-C682 PolarHBondContact O-SG 3.08Å; K678-C682 VanDerWaalsContact O-SG 3.4Å; R679-C682 WeakPolarHBondContact O-CB 3.31Å; R679-C682 PolarHBondContact O-N 3.43Å; K680-C682 VanDerWaalsContact C-N 3.34Å; K680-C682 PolarHBondContact O-N 3.24Å; C682-A684 VanDerWaalsContact C-N 3.33Å; C682-I685 PolarHBondContact O-N 3.49Å; C682-A686 PolarHBondContact O-N 3.35Å
683V91.2Very high87.2Confident0 Ų015.2 Ų15.20%010%0.101CC..Hα-helixtrans-61.9-43.1174.1176.80000110.4R679 K680 I685 A686 L687 P699 M703 L714R679-V683 PolarHBondContact O-N 3.45Å; K680-V683 PolarHBondContact O-N 3.48Å; V683-I685 VanDerWaalsContact C-N 3.34Å; V683-I685 PolarHBondContact O-N 2.97Å; V683-A686 WeakPolarHBondContact O-CB 3.47Å; V683-A686 PolarHBondContact O-N 3.01Å; V683-L687 HydrophobicContact CG1-CD1 3.97Å; V683-L687 WeakPolarHBondContact O-CG 3.41Å; V683-L687 PolarHBondContact O-N 2.86Å; V683-L687 VanDerWaalsContact O-N 3.15Å; V683-P699 HydrophobicContact CG2-CB 4.03Å; V683-M703 HydrophobicContact CG2-CE 4.36Å; V683-L714 HydrophobicContact CG1-CD2 4.42Å
684A90.6Very high87.7Confident1 Ų114.8 Ų14.81%0.00810%0.099CC..Hα-helixtrans-58.1-43.1174.700000112.9L637 L660 K680 L681 C682 A686 L687 I688L637-A684 HydrophobicContact CD2-CB 3.67Å; L660-A684 HydrophobicContact CD1-CB 3.39Å; K680-A684 PolarHBondContact O-N 3.22Å; L681-A684 WeakPolarHBondContact O-CB 3.18Å; L681-A684 PolarHBondContact O-N 3.44Å; C682-A684 VanDerWaalsContact C-N 3.33Å; A684-A686 VanDerWaalsContact C-N 3.31Å; A684-A686 PolarHBondContact O-N 2.87Å; A684-L687 PolarHBondContact O-N 2.98Å; A684-I688 WeakPolarHBondContact O-CB 3.39Å; A684-I688 PolarHBondContact O-N 3.18Å
685I91.8Very high88.6Confident0 Ų012 Ų120%08%0.079CC..Hα-helixtrans-65.1-35.1178.3-70.6162.6000111.6F304 M308 L627 H636 L637 Y640 K644 L681 C682 V683F304-I685 HydrophobicContact CE1-CG2 4.15Å; F304-I685 HydrophobicContact CZ-CG2 4Å; M308-I685 HydrophobicContact CE-CG2 4.31Å; L627-I685 HydrophobicContact CD2-CD1 3.53Å; H636-I685 HydrophobicContact CB-CD1 4.16Å; L637-I685 HydrophobicContact CD2-CG1 4.33Å; Y640-I685 HydrophobicContact CD1-CG2 4Å; Y640-I685 HydrophobicContact CD2-CB 4.26Å; Y640-I685 HydrophobicContact CD2-CD1 3.75Å; Y640-I685 HydrophobicContact CD2-CG1 3.76Å; Y640-I685 HydrophobicContact CD2-CG2 3.46Å; Y640-I685 VanDerWaalsContact CD2-CG2 3.46Å; Y640-I685 HydrophobicContact CE1-CG2 4.47Å; Y640-I685 HydrophobicContact CE2-CD1 3.79Å; Y640-I685 HydrophobicContact CE2-CG1 4.32Å; Y640-I685 HydrophobicContact CE2-CG2 3.98Å; Y640-I685 HydrophobicContact CG-CG1 4.48Å; Y640-I685 HydrophobicContact CG-CG2 3.48Å; Y640-I685 VanDerWaalsContact CG-CG2 3.48Å; K644-I685 PolarHBondContact NZ-O 2.86Å; L681-I685 HydrophobicContact CD1-CD1 4.23Å; L681-I685 HydrophobicContact CD1-CG1 4.3Å; L681-I685 HydrophobicContact CG-CD1 4.03Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.25Å; L681-I685 WeakPolarHBondContact O-CG1 3.39Å; L681-I685 PolarHBondContact O-N 3.38Å; C682-I685 PolarHBondContact O-N 3.49Å; V683-I685 VanDerWaalsContact C-N 3.34Å; V683-I685 PolarHBondContact O-N 2.97Å
686A91.4Very high89.4Confident0 Ų09.8 Ų9.80%06%0.057CC..Hα-helixtrans-66.2-40.9175.800000111.2G619 C621 K644 C682 V683 A684 S691 V694 L696G619-A686 VanDerWaalsContact CA-O 3.24Å; G619-A686 WeakPolarHBondContact CA-O 3.5Å; C621-A686 HydrophobicContact CB-CB 4.03Å; K644-A686 PolarHBondContact NZ-O 3.15Å; K644-A686 VanDerWaalsContact NZ-O 3.15Å; C682-A686 PolarHBondContact O-N 3.35Å; V683-A686 WeakPolarHBondContact O-CB 3.47Å; V683-A686 PolarHBondContact O-N 3.01Å; A684-A686 VanDerWaalsContact C-N 3.31Å; A684-A686 PolarHBondContact O-N 2.87Å; A686-S691 PolarHBondContact O-OG 2.97Å; A686-V694 HydrophobicContact CB-CG1 4.07Å; A686-L696 HydrophobicContact CB-CD2 4.05Å
687L90.1Very high90Very high1 Ų19.8 Ų9.81%0.0056%0.055CC..Hα-helixtrans-79.9-33.7-175.9-65.2169000114.3M656 V683 A684 V694 L714 L715 E718M656-L687 HydrophobicContact SD-CB 4.4Å; V683-L687 HydrophobicContact CG1-CD1 3.97Å; V683-L687 WeakPolarHBondContact O-CG 3.41Å; V683-L687 PolarHBondContact O-N 2.86Å; V683-L687 VanDerWaalsContact O-N 3.15Å; A684-L687 PolarHBondContact O-N 2.98Å; L687-V694 HydrophobicContact CD2-CG1 4.05Å; L687-V694 HydrophobicContact CD2-CG2 4.03Å; L687-L714 HydrophobicContact CD1-CD1 4.33Å; L687-L714 HydrophobicContact CD1-CD2 3.47Å; L687-L714 VanDerWaalsContact CD1-CD2 3.47Å; L687-L714 HydrophobicContact CD1-CG 3.69Å; L687-L715 HydrophobicContact CD1-CD2 4.49Å; L687-E718 HydrophobicContact CD2-CB 4.33Å; L687-E718 HydrophobicContact CD2-CG 4.47Å
688I89.6Confident90.1Very high0 Ų07.4 Ų7.40%04%0.043CC..THydrogen-bonded Turntrans-65.6146.7-174-161.1166000113L637 C641 K644 E652 V653 A684L637-I688 HydrophobicContact CB-CD1 3.73Å; L637-I688 HydrophobicContact CD2-CD1 4.03Å; L637-I688 HydrophobicContact CG-CD1 4.37Å; C641-I688 HydrophobicContact CB-CD1 4.14Å; C641-I688 HydrophobicContact CB-CG1 4.18Å; K644-I688 WeakPolarHBondContact CD-O 3.46Å; K644-I688 PolarHBondContact NZ-O 2.84Å; E652-I688 HydrophobicContact CG-CG1 4.33Å; V653-I688 HydrophobicContact CG2-CD1 3.97Å; A684-I688 WeakPolarHBondContact O-CB 3.39Å; A684-I688 PolarHBondContact O-N 3.18Å
689G85.5Confident90.1Very high2 Ų25.1 Ų5.12%0.0213%0.033CC..THydrogen-bonded Turntrans83.926.6176.200000113.6R646 E652 S691R646-G689 WeakPolarHBondContact CG-O 3.49Å; E652-G689 PolarHBondContact OE1-N 3.2Å; G689-S691 PolarHBondContact O-N 3.06Å
690G83.5Confident89.9Confident31 Ų315 Ų532%0.323%0.033SC..THydrogen-bonded Turntrans64.638170.900000114.9E692 R722G690-E692 PolarHBondContact O-N 3.38Å; G690-R722 VanDerWaalsContact C-NH1 3.29Å
691S89.3Confident89.3Confident0 Ų06.2 Ų6.20%04%0.041CC..  trans-63113.3173-74.80000112.7F617 G619 K644 A686 G689 I693 R722F617-S691 CarbonylContact O-C 3.56Å; F617-S691 VanDerWaalsContact O-CA 3.29Å; F617-S691 WeakPolarHBondContact O-CA 3.35Å; F617-S691 WeakPolarHBondContact O-CB 3.42Å; G619-S691 WeakPolarHBondContact CA-OG 3.3Å; G619-S691 PolarHBondContact N-OG 3.32Å; K644-S691 PolarHBondContact NZ-OG 3.01Å; A686-S691 PolarHBondContact O-OG 2.97Å; G689-S691 PolarHBondContact O-N 3.06Å; S691-I693 VanDerWaalsContact C-N 3.3Å; S691-R722 WeakPolarHBondContact O-CD 3.48Å; S691-R722 WeakPolarHBondContact O-CG 3.45Å; S691-R722 PolarHBondContact O-NH1 2.79Å
692E89Confident88.2Confident36 Ų368 Ų817%0.1686%0.061CC..SBendtrans-67.5-32.1176.7-171.3-178.7-178.400111.7R536 Y567 N603 F617 G690 R722 T723R536-E692 IonicContact CZ-OE1 2.87Å; R536-E692 IonicContact NH1-OE1 3.37Å; R536-E692 IonicContact NH2-OE1 3.71Å; R536-E692 PolarHBondContact NH2-OE1 2.89Å; Y567-E692 HydrophobicContact CE2-CG 4.25Å; N603-E692 PolarHBondContact ND2-OE1 2.99Å; N603-E692 PolarHBondContact ND2-OE2 3.47Å; N603-E692 VanDerWaalsContact ND2-OE2 3.15Å; F617-E692 HydrophobicContact CB-CB 4.35Å; F617-E692 PolarHBondContact O-N 3.1Å; G690-E692 PolarHBondContact O-N 3.38Å; E692-R722 WeakPolarHBondContact O-CA 3.33Å; E692-T723 PolarHBondContact O-N 3.36Å
693I91.4Very high87.7Confident3 Ų38 Ų82%0.0156%0.06CC..EExtended strand (participates in β ladder)trans-120125.3-179-59.8161.5000108.5T538 V539 V602 F617 I618 G619 S691 L695 T723T538-I693 HydrophobicContact CG2-CD1 3.74Å; T538-I693 HydrophobicContact CG2-CG1 3.58Å; V539-I693 HydrophobicContact CG2-CD1 3.81Å; V539-I693 HydrophobicContact CG2-CG1 4.29Å; V539-I693 HydrophobicContact CG2-CG2 4.25Å; V602-I693 HydrophobicContact CG1-CD1 3.23Å; F617-I693 PolarHBondContact O-N 3.29Å; F617-I693 VanDerWaalsContact O-N 3.1Å; I618-I693 CarbonylContact C-O 3.57Å; I618-I693 WeakPolarHBondContact CA-O 3.3Å; I618-I693 HydrophobicContact CG1-CB 4.41Å; G619-I693 PolarHBondContact N-O 2.7Å; S691-I693 VanDerWaalsContact C-N 3.3Å; I693-L695 HydrophobicContact CG2-CD2 4.1Å; I693-L695 HydrophobicContact CG2-CG 4.4Å; I693-T723 CarbonylContact C-O 3.55Å; I693-T723 WeakPolarHBondContact CA-O 3.17Å
694V93.7Very high86.7Confident0 Ų09.5 Ų9.50%07%0.068CC..EExtended strand (participates in β ladder)trans-122.6118.8-177.7-173.20000109.2G619 A686 L687 L696 R722 T723 I724 L725G619-V694 CarbonylContact O-C 3.6Å; G619-V694 WeakPolarHBondContact O-CA 3.26Å; A686-V694 HydrophobicContact CB-CG1 4.07Å; L687-V694 HydrophobicContact CD2-CG1 4.05Å; L687-V694 HydrophobicContact CD2-CG2 4.03Å; V694-L696 HydrophobicContact CG1-CD1 4.43Å; V694-L696 HydrophobicContact CG1-CD2 3.76Å; V694-L696 HydrophobicContact CG1-CG 3.96Å; V694-R722 HydrophobicContact CG2-CB 4.43Å; V694-T723 PolarHBondContact N-O 3.48Å; V694-I724 HydrophobicContact CB-CG1 4.26Å; V694-I724 CarbonylContact O-C 3.58Å; V694-I724 WeakPolarHBondContact O-CA 3.31Å; V694-L725 PolarHBondContact O-N 3.13Å
695L93.5Very high85.8Confident2 Ų29.5 Ų9.51%0.017%0.068CC..EExtended strand (participates in β ladder)trans-106.3116.2-179.2-57.1179.2000109M585 L588 T589 I618 G619 Y620 C621 I693 L725M585-L695 HydrophobicContact SD-CB 4.07Å; L588-L695 HydrophobicContact CB-CD1 3.63Å; L588-L695 HydrophobicContact CB-CD2 4.38Å; L588-L695 HydrophobicContact CD1-CD2 3.91Å; T589-L695 HydrophobicContact CG2-CD1 3.82Å; I618-L695 HydrophobicContact CG2-CD1 4.03Å; I618-L695 HydrophobicContact CG2-CG 4.38Å; G619-L695 PolarHBondContact O-N 2.77Å; Y620-L695 CarbonylContact C-O 3.49Å; Y620-L695 WeakPolarHBondContact CA-O 3.48Å; Y620-L695 HydrophobicContact CD2-CB 3.83Å; C621-L695 PolarHBondContact N-O 3.33Å; I693-L695 HydrophobicContact CG2-CD2 4.1Å; I693-L695 HydrophobicContact CG2-CG 4.4Å; L695-L725 CarbonylContact C-O 3.59Å; L695-L725 WeakPolarHBondContact CA-O 3.19Å; L695-L725 HydrophobicContact CD2-CB 3.87Å; L695-L725 HydrophobicContact CD2-CD2 4.14Å
696L93.7Very high84.9Confident0 Ų012.4 Ų12.40%08%0.082CC..EExtended strand (participates in β ladder)trans-118.3104.6-175.7-58.5177.4000110.1C621 A686 V694 E698 P699 L715 I724 L725 L726 T727C621-L696 HydrophobicContact CB-CD2 3.49Å; C621-L696 VanDerWaalsContact CB-CD2 3.49Å; A686-L696 HydrophobicContact CB-CD2 4.05Å; V694-L696 HydrophobicContact CG1-CD1 4.43Å; V694-L696 HydrophobicContact CG1-CD2 3.76Å; V694-L696 HydrophobicContact CG1-CG 3.96Å; L696-E698 PolarHBondContact O-N 3.02Å; L696-P699 HydrophobicContact CB-CB 3.97Å; L696-P699 HydrophobicContact CB-CG 3.81Å; L696-P699 HydrophobicContact CD1-CB 4.31Å; L696-P699 HydrophobicContact CD1-CG 4.24Å; L696-L715 HydrophobicContact CD1-CD1 3.84Å; L696-L715 HydrophobicContact CD1-CD2 3.46Å; L696-L715 VanDerWaalsContact CD1-CD2 3.46Å; L696-L715 HydrophobicContact CD1-CG 4.33Å; L696-I724 HydrophobicContact CD1-CG2 3.86Å; L696-I724 HydrophobicContact CG-CG2 4.39Å; L696-L725 PolarHBondContact N-O 3.36Å; L696-L726 HydrophobicContact CB-CB 3.98Å; L696-L726 CarbonylContact O-C 3.37Å; L696-L726 VanDerWaalsContact O-CA 3.24Å; L696-L726 WeakPolarHBondContact O-CA 3.38Å; L696-T727 PolarHBondContact O-N 3.01Å; L696-T727 PolarHBondContact O-OG1 3.22Å
697D91Very high84.2Confident6 Ų612.7 Ų12.73%0.0328%0.084CC..EExtended strand (participates in β ladder)trans-89.496.3177.3-17223.5000109.4S582 M585 C621 P622 Q623 R679 T727S582-D697 PolarHBondContact OG-OD1 3.45Å; M585-D697 HydrophobicContact CG-CB 4.27Å; C621-D697 WeakPolarHBondContact O-CB 3.21Å; C621-D697 PolarHBondContact O-N 3.02Å; P622-D697 CarbonylContact C-O 3.55Å; Q623-D697 VanDerWaalsContact CA-O 3.29Å; Q623-D697 WeakPolarHBondContact CA-O 3.38Å; Q623-D697 WeakPolarHBondContact CB-OD2 3.19Å; Q623-D697 PolarHBondContact N-O 3.46Å; Q623-D697 PolarHBondContact N-OD2 3.41Å; R679-D697 PolarHBondContact NH2-O 3Å; D697-T727 VanDerWaalsContact CA-OG1 3.26Å; D697-T727 WeakPolarHBondContact CA-OG1 3.34Å; D697-T727 PolarHBondContact OD1-OG1 3.12Å; D697-T727 VanDerWaalsContact OD1-OG1 3.05Å
698E88.8Confident83.8Confident4 Ų413 Ų132%0.0199%0.086CC..SBendtrans61.950.8178.8-59.4-72.817600114.1K581 Q623 R679 L696 T700 T701 T727 T728 H729K581-E698 WeakPolarHBondContact CE-OE1 3.48Å; Q623-E698 HydrophobicContact CG-CB 4.26Å; Q623-E698 HydrophobicContact CG-CG 4.38Å; R679-E698 PolarHBondContact NE-O 3.26Å; R679-E698 PolarHBondContact NH2-O 3.33Å; L696-E698 PolarHBondContact O-N 3.02Å; E698-T700 VanDerWaalsContact C-N 3.34Å; E698-T700 PolarHBondContact O-N 3.31Å; E698-T701 WeakPolarHBondContact CB-OG1 3.4Å; E698-T701 WeakPolarHBondContact O-CB 3.24Å; E698-T701 PolarHBondContact O-N 2.92Å; E698-T701 PolarHBondContact O-OG1 2.98Å; E698-T727 WeakPolarHBondContact CA-O 3.47Å; E698-T727 PolarHBondContact N-O 3.43Å; E698-T727 PolarHBondContact N-OG1 3.05Å; E698-T728 WeakPolarHBondContact OE2-CA 3.4Å; E698-H729 PolarHBondContact OE1-N 3.29Å; E698-H729 IonicContact OE2-CE1 2.9Å; E698-H729 IonicContact OE2-CG 2.82Å; E698-H729 PolarHBondContact OE2-N 3.49Å; E698-H729 IonicContact OE2-ND1 3.48Å; E698-H729 PolarHBondContact OE2-ND1 3Å
699P88.1Confident83.3Confident2 Ų215.1 Ų15.11%0.01310%0.095CC..THydrogen-bonded Turntrans-63.1-30.4-163.225.9-34.2000114.9R679 V683 L696 T727 E733R679-P699 WeakPolarHBondContact CG-O 3.22Å; R679-P699 PolarHBondContact NE-O 3.41Å; V683-P699 HydrophobicContact CG2-CB 4.03Å; L696-P699 HydrophobicContact CB-CB 3.97Å; L696-P699 HydrophobicContact CB-CG 3.81Å; L696-P699 HydrophobicContact CD1-CB 4.31Å; L696-P699 HydrophobicContact CD1-CG 4.24Å; P699-T727 WeakPolarHBondContact CD-O 2.81Å; P699-E733 VanDerWaalsContact CG-OE1 3.26Å; P699-E733 WeakPolarHBondContact CG-OE1 3.45Å
700T84.5Confident83Confident0 Ų016.1 Ų16.10%010%0.1CC..THydrogen-bonded Turntrans-92.2-0.3-176.261.90000113.9E698 G702 M703 R708 F730 E733E698-T700 VanDerWaalsContact C-N 3.34Å; E698-T700 PolarHBondContact O-N 3.31Å; T700-G702 PolarHBondContact O-N 3.03Å; T700-M703 WeakPolarHBondContact O-CB 3.48Å; T700-M703 PolarHBondContact O-N 3.05Å; T700-M703 VanDerWaalsContact O-N 3.09Å; T700-R708 HydrophobicContact CG2-CG 3.73Å; T700-F730 WeakPolarHBondContact OG1-CD2 3.33Å; T700-E733 WeakPolarHBondContact CB-OE2 3.25Å; T700-E733 VanDerWaalsContact CG2-CD 3.47Å; T700-E733 HydrophobicContact CG2-CG 4.47Å; T700-E733 WeakPolarHBondContact CG2-OE1 3.3Å; T700-E733 WeakPolarHBondContact CG2-OE2 3.47Å; T700-E733 PolarHBondContact OG1-OE2 2.94Å
701T76Confident83Confident41 Ų4114.8 Ų14.825%0.2529%0.086SC..THydrogen-bonded Turntrans-60.8125-178-550000111.8E698 M703 H729E698-T701 WeakPolarHBondContact CB-OG1 3.4Å; E698-T701 WeakPolarHBondContact O-CB 3.24Å; E698-T701 PolarHBondContact O-N 2.92Å; E698-T701 PolarHBondContact O-OG1 2.98Å; T701-M703 VanDerWaalsContact C-N 3.31Å; T701-H729 PolarHBondContact OG1-CE1 3.45Å
702G69.2Low82.9Confident39 Ų3915.3 Ų15.340%0.4029%0.088SC..THydrogen-bonded Turntrans78.47.4-179.300000115.2G676 T700G676-G702 WeakPolarHBondContact CA-O 3.46Å; G676-G702 PolarHBondContact N-O 3.28Å; T700-G702 PolarHBondContact O-N 3.03Å
703M79.1Confident82.6Confident1 Ų119.9 Ų19.91%0.00511%0.107CC..  trans-81.9149.8167.5-63.6-169.1175.600110.9R679 K680 V683 T700 T701 A707 R708 A711R679-M703 HydrophobicContact CB-CE 3.7Å; R679-M703 HydrophobicContact CB-CG 4.22Å; R679-M703 HydrophobicContact CG-CE 3.52Å; R679-M703 HydrophobicContact CG-CG 4.22Å; K680-M703 HydrophobicContact CB-CE 4.28Å; K680-M703 HydrophobicContact CG-CE 3.68Å; K680-M703 HydrophobicContact CG-SD 4.33Å; V683-M703 HydrophobicContact CG2-CE 4.36Å; T700-M703 WeakPolarHBondContact O-CB 3.48Å; T700-M703 PolarHBondContact O-N 3.05Å; T700-M703 VanDerWaalsContact O-N 3.09Å; T701-M703 VanDerWaalsContact C-N 3.31Å; M703-A707 HydrophobicContact CB-CB 3.93Å; M703-A707 HydrophobicContact CG-CB 4.34Å; M703-A707 HydrophobicContact SD-CB 4.35Å; M703-R708 HydrophobicContact CB-CB 4.42Å; M703-A711 HydrophobicContact CE-CB 4.36Å; M703-A711 HydrophobicContact SD-CB 4.07Å
704D71Confident82.3Confident30 Ų3019.7 Ų19.716%0.1611%0.106CC..  trans-76.2165.1165.152.834.8000110.5Q706 A707 R708 N1414D704-Q706 VanDerWaalsContact C-N 3.26Å; D704-Q706 PolarHBondContact O-N 3.26Å; D704-A707 PolarHBondContact O-N 3.25Å; D704-A707 WeakPolarHBondContact OD1-CA 3.34Å; D704-A707 WeakPolarHBondContact OD1-CB 3.41Å; D704-A707 PolarHBondContact OD1-N 3.03Å; D704-R708 WeakPolarHBondContact O-CB 3.05Å; D704-R708 PolarHBondContact O-N 2.94Å; D704-N1414 HydrophobicContact CB-CB 4.1Å
705P71.7Confident82Confident1 Ų119.8 Ų19.81%0.00611%0.107CC..Hα-helixtrans-50.6-43.9179.7-32.538.5000113.5R708 H709 M1589 E1698P705-R708 WeakPolarHBondContact O-CB 3.12Å; P705-R708 PolarHBondContact O-N 2.69Å; P705-H709 PolarHBondContact O-CD2 3.47Å; P705-H709 PolarHBondContact O-N 3.3Å; P705-M1589 HydrophobicContact CG-CE 4.46Å; P705-E1698 HydrophobicContact CB-CG 4.4Å; P705-E1698 WeakPolarHBondContact CB-OE1 3.39Å
706Q73.5Confident81.7Confident61 Ų6121.7 Ų21.729%0.28512%0.117SC..Hα-helixtrans-64.3-48.1179-173.71783.500112.3D704 R708 H709 D710 M1702D704-Q706 VanDerWaalsContact C-N 3.26Å; D704-Q706 PolarHBondContact O-N 3.26Å; Q706-R708 PolarHBondContact O-N 3.2Å; Q706-H709 PolarHBondContact O-N 2.9Å; Q706-D710 PolarHBondContact O-N 2.74Å; Q706-M1702 HydrophobicContact CB-CE 4.47Å; Q706-M1702 HydrophobicContact CG-CE 4.47Å
707A75.9Confident81.2Confident7 Ų725.6 Ų25.66%0.05814%0.135CC..Hα-helixtrans-61.9-33.9176.300000112.8K680 M703 D704 A711K680-A707 HydrophobicContact CD-CB 4.45Å; M703-A707 HydrophobicContact CB-CB 3.93Å; M703-A707 HydrophobicContact CG-CB 4.34Å; M703-A707 HydrophobicContact SD-CB 4.35Å; D704-A707 PolarHBondContact O-N 3.25Å; D704-A707 WeakPolarHBondContact OD1-CA 3.34Å; D704-A707 WeakPolarHBondContact OD1-CB 3.41Å; D704-A707 PolarHBondContact OD1-N 3.03Å; A707-A711 PolarHBondContact O-N 2.92Å; A707-A711 VanDerWaalsContact O-N 3.1Å
708R81.2Confident81Confident8 Ų825.5 Ų25.53%0.0313%0.134CC..Hα-helixtrans-65.9-48.1175-173.1-173.9-53.9142.4-5.9110.7T700 M703 D704 P705 Q706 D710 A711 W712 E1698T700-R708 HydrophobicContact CG2-CG 3.73Å; M703-R708 HydrophobicContact CB-CB 4.42Å; D704-R708 WeakPolarHBondContact O-CB 3.05Å; D704-R708 PolarHBondContact O-N 2.94Å; P705-R708 WeakPolarHBondContact O-CB 3.12Å; P705-R708 PolarHBondContact O-N 2.69Å; Q706-R708 PolarHBondContact O-N 3.2Å; R708-D710 VanDerWaalsContact C-N 3.34Å; R708-D710 PolarHBondContact O-N 3.08Å; R708-A711 WeakPolarHBondContact O-CB 3.5Å; R708-A711 PolarHBondContact O-N 3.38Å; R708-A711 VanDerWaalsContact O-N 3.09Å; R708-W712 HydrophobicContact CG-CD2 4.05Å; R708-W712 VanDerWaalsContact CG-CE2 3.43Å; R708-W712 HydrophobicContact CG-CH2 4.31Å; R708-W712 HydrophobicContact CG-CZ2 3.62Å; R708-W712 VanDerWaalsContact O-CG 3.25Å; R708-W712 PolarHBondContact O-N 3.45Å; R708-E1698 IonicContact NH1-OE1 3.97Å; R708-E1698 PolarHBondContact NH1-OE1 2.71Å; R708-E1698 VanDerWaalsContact NH1-OE1 3.1Å
709H78.9Confident80.9Confident43 Ų4327 Ų2720%0.19914%0.141CC..Hα-helixtrans-59.7-41.8175.2-74.8-62.8000112.6P705 Q706 A711 W712 K713 E1698P705-H709 PolarHBondContact O-CD2 3.47Å; P705-H709 PolarHBondContact O-N 3.3Å; Q706-H709 PolarHBondContact O-N 2.9Å; H709-A711 VanDerWaalsContact C-N 3.29Å; H709-A711 PolarHBondContact O-N 2.96Å; H709-W712 AromaticContact CE1-CE3 3.91Å; H709-W712 AromaticContact CE1-CZ3 3.54Å; H709-W712 AromaticContact ND1-CE3 3.39Å; H709-W712 AromaticContact ND1-CZ3 3.54Å; H709-W712 PolarHBondContact O-N 3.47Å; H709-K713 WeakPolarHBondContact O-CG 3.46Å; H709-K713 PolarHBondContact O-N 3.46Å; H709-E1698 IonicContact NE2-OE1 3.85Å
710D80.7Confident80.7Confident24 Ų2432.2 Ų32.213%0.12817%0.165CC..Hα-helixtrans-59-42.6174-66.3-16.7000111.1F659 N661 K680 Q706 R708 L714F659-D710 WeakPolarHBondContact CE1-O 3.39Å; N661-D710 PolarHBondContact ND2-OD2 2.81Å; N661-D710 VanDerWaalsContact ND2-OD2 3.11Å; K680-D710 IonicContact NZ-OD2 2.64Å; K680-D710 PolarHBondContact NZ-OD2 2.94Å; Q706-D710 PolarHBondContact O-N 2.74Å; R708-D710 VanDerWaalsContact C-N 3.34Å; R708-D710 PolarHBondContact O-N 3.08Å; D710-L714 PolarHBondContact O-N 3.01Å; D710-L714 VanDerWaalsContact O-N 3.15Å
711A83.8Confident80.7Confident2 Ų238.3 Ų38.32%0.01719%0.189CC..Hα-helixtrans-67.6-39.2177.700000112M703 A707 R708 H709 L714 L715M703-A711 HydrophobicContact CE-CB 4.36Å; M703-A711 HydrophobicContact SD-CB 4.07Å; A707-A711 PolarHBondContact O-N 2.92Å; A707-A711 VanDerWaalsContact O-N 3.1Å; R708-A711 WeakPolarHBondContact O-CB 3.5Å; R708-A711 PolarHBondContact O-N 3.38Å; R708-A711 VanDerWaalsContact O-N 3.09Å; H709-A711 VanDerWaalsContact C-N 3.29Å; H709-A711 PolarHBondContact O-N 2.96Å; A711-L714 WeakPolarHBondContact O-CB 3.35Å; A711-L714 PolarHBondContact O-N 3Å; A711-L715 VanDerWaalsContact O-CG 3.3Å; A711-L715 WeakPolarHBondContact O-CG 3.33Å; A711-L715 PolarHBondContact O-N 2.9Å
712W85.5Confident81.5Confident11 Ų1137.5 Ų37.54%0.04218%0.181CC..Hα-helixtrans-61.3-48176.1-67.5-10.2000111.8R708 H709 L714 L715 L716 E732 E733 L736 L737R708-W712 HydrophobicContact CG-CD2 4.05Å; R708-W712 VanDerWaalsContact CG-CE2 3.43Å; R708-W712 HydrophobicContact CG-CH2 4.31Å; R708-W712 HydrophobicContact CG-CZ2 3.62Å; R708-W712 VanDerWaalsContact O-CG 3.25Å; R708-W712 PolarHBondContact O-N 3.45Å; H709-W712 AromaticContact CE1-CE3 3.91Å; H709-W712 AromaticContact CE1-CZ3 3.54Å; H709-W712 AromaticContact ND1-CE3 3.39Å; H709-W712 AromaticContact ND1-CZ3 3.54Å; H709-W712 PolarHBondContact O-N 3.47Å; W712-L714 VanDerWaalsContact C-N 3.26Å; W712-L714 PolarHBondContact O-N 3.47Å; W712-L715 PolarHBondContact O-N 3.42Å; W712-L716 WeakPolarHBondContact O-CG 3.45Å; W712-L716 PolarHBondContact O-N 3.3Å; W712-E732 HydrophobicContact CH2-CB 4.3Å; W712-E733 HydrophobicContact CZ2-CB 3.84Å; W712-L736 HydrophobicContact CB-CD2 4.08Å; W712-L736 HydrophobicContact CD2-CD2 3.59Å; W712-L736 HydrophobicContact CE3-CD2 3.15Å; W712-L736 HydrophobicContact CG-CD2 4.04Å; W712-L736 HydrophobicContact CZ3-CD2 3.69Å; W712-L737 HydrophobicContact CB-CD2 4.02Å; W712-L737 HydrophobicContact CG-CD1 4.36Å; W712-L737 HydrophobicContact CG-CD2 4.28Å; W712-L737 HydrophobicContact CG-CG 4.41Å
713K83Confident82.6Confident132 Ų13235.7 Ų35.757%0.57416%0.162SC*.Hα-helixtrans-56.5-41.9174.9-70.8-178.8180-176.50111.8F659 H709 L716 E717F659-K713 HydrophobicContact CE1-CB 3.92Å; F659-K713 HydrophobicContact CZ-CB 3.86Å; H709-K713 WeakPolarHBondContact O-CG 3.46Å; H709-K713 PolarHBondContact O-N 3.46Å; K713-L716 PolarHBondContact O-N 2.88Å; K713-E717 WeakPolarHBondContact O-CG 3.45Å; K713-E717 PolarHBondContact O-N 3.5Å
714L85.1Confident83.3Confident0 Ų035.7 Ų35.70%016%0.162CC..Hα-helixtrans-63.6-44.9178.9-177.959.2000111.5M656 F659 L660 V683 L687 D710 A711 W712 E717 E718M656-L714 HydrophobicContact CE-CD1 4.15Å; M656-L714 HydrophobicContact SD-CD1 4.46Å; F659-L714 HydrophobicContact CB-CD1 4.35Å; F659-L714 HydrophobicContact CD1-CB 3.55Å; F659-L714 HydrophobicContact CD1-CD1 3.66Å; F659-L714 HydrophobicContact CD1-CD2 4.38Å; F659-L714 HydrophobicContact CD1-CG 4.04Å; F659-L714 HydrophobicContact CD2-CD1 4.34Å; F659-L714 HydrophobicContact CE1-CB 3.38Å; F659-L714 HydrophobicContact CE1-CD1 4.06Å; F659-L714 HydrophobicContact CE1-CG 4.27Å; F659-L714 HydrophobicContact CG-CD1 3.81Å; F659-L714 HydrophobicContact CZ-CB 4.24Å; L660-L714 HydrophobicContact CD1-CD2 4.3Å; L660-L714 HydrophobicContact CD2-CD2 3.69Å; L660-L714 HydrophobicContact CG-CD2 3.99Å; V683-L714 HydrophobicContact CG1-CD2 4.42Å; L687-L714 HydrophobicContact CD1-CD1 4.33Å; L687-L714 HydrophobicContact CD1-CD2 3.47Å; L687-L714 VanDerWaalsContact CD1-CD2 3.47Å; L687-L714 HydrophobicContact CD1-CG 3.69Å; D710-L714 PolarHBondContact O-N 3.01Å; D710-L714 VanDerWaalsContact O-N 3.15Å; A711-L714 WeakPolarHBondContact O-CB 3.35Å; A711-L714 PolarHBondContact O-N 3Å; W712-L714 VanDerWaalsContact C-N 3.26Å; W712-L714 PolarHBondContact O-N 3.47Å; L714-E717 PolarHBondContact O-N 3.46Å; L714-E718 HydrophobicContact CD1-CG 4.07Å; L714-E718 WeakPolarHBondContact O-CB 3.29Å; L714-E718 WeakPolarHBondContact O-CG 3.44Å; L714-E718 PolarHBondContact O-N 3.46Å
715L88.7Confident84.4Confident1 Ų134.3 Ų34.31%0.00516%0.155CC..Hα-helixtrans-67.8-38.3-179.6-67.1175.9000111.6I570 L687 L696 A711 W712 E718 K719 I724 L737I570-L715 HydrophobicContact CD1-CB 4.38Å; L687-L715 HydrophobicContact CD1-CD2 4.49Å; L696-L715 HydrophobicContact CD1-CD1 3.84Å; L696-L715 HydrophobicContact CD1-CD2 3.46Å; L696-L715 VanDerWaalsContact CD1-CD2 3.46Å; L696-L715 HydrophobicContact CD1-CG 4.33Å; A711-L715 VanDerWaalsContact O-CG 3.3Å; A711-L715 WeakPolarHBondContact O-CG 3.33Å; A711-L715 PolarHBondContact O-N 2.9Å; W712-L715 PolarHBondContact O-N 3.42Å; L715-E718 PolarHBondContact O-N 3.37Å; L715-K719 VanDerWaalsContact O-CB 3.28Å; L715-K719 WeakPolarHBondContact O-CB 3.11Å; L715-K719 PolarHBondContact O-N 3.4Å; L715-I724 HydrophobicContact CD2-CD1 4.25Å; L715-L737 HydrophobicContact CB-CD1 4.36Å; L715-L737 HydrophobicContact CB-CD2 4.37Å; L715-L737 HydrophobicContact CD1-CD1 3.65Å
716L85.4Confident85.4Confident42 Ų4234.2 Ų34.222%0.2215%0.154CC..Hα-helixtrans-65.5-41.2174.7-70.8170.2000112W712 K713 K719 L737W712-L716 WeakPolarHBondContact O-CG 3.45Å; W712-L716 PolarHBondContact O-N 3.3Å; K713-L716 PolarHBondContact O-N 2.88Å; L716-K719 WeakPolarHBondContact O-CB 3.4Å; L716-L737 HydrophobicContact CD1-CD2 4.17Å; L716-L737 HydrophobicContact CD2-CD2 3.88Å; L716-L737 HydrophobicContact CG-CD2 3.65Å
717E84.6Confident86.3Confident83 Ų8331.3 Ų31.339%0.38814%0.141SC..Hα-helixtrans-68.7-37.3176.4-77.1-174.7-160.600113.1F659 K713 L714 Q720F659-E717 VanDerWaalsContact CE2-OE1 3.25Å; F659-E717 WeakPolarHBondContact CE2-OE1 3.06Å; F659-E717 WeakPolarHBondContact CE2-OE2 3.37Å; F659-E717 HydrophobicContact CZ-CG 4.44Å; F659-E717 WeakPolarHBondContact CZ-OE1 3.5Å; K713-E717 WeakPolarHBondContact O-CG 3.45Å; K713-E717 PolarHBondContact O-N 3.5Å; L714-E717 PolarHBondContact O-N 3.46Å; E717-Q720 WeakPolarHBondContact O-CG 3.38Å; E717-Q720 PolarHBondContact O-NE2 3Å; E717-Q720 VanDerWaalsContact O-NE2 3.08Å
718E86.7Confident86.8Confident3 Ų331 Ų311%0.01414%0.138CC..Hα-helixtrans-83.4-16.7-179.1-69.8-68.4132.400113.4R655 L687 L714 L715 Q720 Y721 R722R655-E718 IonicContact CZ-OE1 2.64Å; R655-E718 IonicContact NH1-OE1 3.71Å; R655-E718 IonicContact NH2-OE1 2.94Å; R655-E718 PolarHBondContact NH2-OE1 3.13Å; L687-E718 HydrophobicContact CD2-CB 4.33Å; L687-E718 HydrophobicContact CD2-CG 4.47Å; L714-E718 HydrophobicContact CD1-CG 4.07Å; L714-E718 WeakPolarHBondContact O-CB 3.29Å; L714-E718 WeakPolarHBondContact O-CG 3.44Å; L714-E718 PolarHBondContact O-N 3.46Å; L715-E718 PolarHBondContact O-N 3.37Å; E718-Q720 VanDerWaalsContact C-N 3.32Å; E718-Q720 PolarHBondContact O-N 3.26Å; E718-Y721 PolarHBondContact O-N 3.49Å; E718-R722 IonicContact OE2-CZ 2.66Å; E718-R722 IonicContact OE2-NE 2.64Å; E718-R722 PolarHBondContact OE2-NE 3.37Å; E718-R722 IonicContact OE2-NH2 3.63Å; E718-R722 PolarHBondContact OE2-NH2 2.82Å
719K85.9Confident86.7Confident36 Ų3631.5 Ų31.516%0.15714%0.141CC..Hα-helixtrans-51.5-45.9179167-178.1138.1173.70112.8G568 I570 L715 L716 Y721 R722 D739G568-K719 CarbonylContact C-O 3.45Å; G568-K719 VanDerWaalsContact CA-O 3.3Å; G568-K719 WeakPolarHBondContact CA-O 3.08Å; G568-K719 VanDerWaalsContact O-CG 3.27Å; G568-K719 WeakPolarHBondContact O-CG 3.18Å; I570-K719 HydrophobicContact CD1-CB 4.07Å; I570-K719 HydrophobicContact CD1-CD 4.01Å; I570-K719 HydrophobicContact CD1-CG 4.28Å; I570-K719 HydrophobicContact CG1-CB 4.06Å; I570-K719 HydrophobicContact CG1-CD 3.93Å; I570-K719 HydrophobicContact CG1-CG 3.91Å; L715-K719 VanDerWaalsContact O-CB 3.28Å; L715-K719 WeakPolarHBondContact O-CB 3.11Å; L715-K719 PolarHBondContact O-N 3.4Å; L716-K719 WeakPolarHBondContact O-CB 3.4Å; K719-Y721 PolarHBondContact O-N 3.41Å; K719-R722 PolarHBondContact O-N 2.87Å; K719-R722 VanDerWaalsContact O-N 3.16Å; K719-D739 VanDerWaalsContact CD-OD2 3.31Å; K719-D739 WeakPolarHBondContact CD-OD2 3.34Å; K719-D739 WeakPolarHBondContact CE-OD2 3.34Å; K719-D739 VanDerWaalsContact NZ-CG 3.28Å; K719-D739 IonicContact NZ-OD1 3.26Å; K719-D739 PolarHBondContact NZ-OD1 2.79Å; K719-D739 IonicContact NZ-OD2 3.64Å; K719-D739 PolarHBondContact NZ-OD2 3.02Å; K719-D739 VanDerWaalsContact NZ-OD2 3.12Å
720Q83.6Confident86.6Confident111 Ų11130.9 Ų30.952%0.51914%0.138SC..THydrogen-bonded Turntrans-60.3-20.3-176.536.3174.9-18.400114.2E717 E718E717-Q720 WeakPolarHBondContact O-CG 3.38Å; E717-Q720 PolarHBondContact O-NE2 3Å; E717-Q720 VanDerWaalsContact O-NE2 3.08Å; E718-Q720 VanDerWaalsContact C-N 3.32Å; E718-Q720 PolarHBondContact O-N 3.26Å
721Y86.2Confident86.5Confident128 Ų12830.2 Ų30.250%0.50213%0.134SC..THydrogen-bonded Turntrans-108.4-2.1-178.2-50.6-64.6000113.7Y567 E718 K719Y567-Y721 PolarHBondContact OH-O 3.38Å; E718-Y721 PolarHBondContact O-N 3.49Å; K719-Y721 PolarHBondContact O-N 3.41Å
722R91.1Very high86.2Confident25 Ų2532.9 Ų32.99%0.09415%0.146CC..SBendtrans-145.7158-165.8-55.3-179.8-164.2-87.82.5112.4G568 G690 S691 E692 V694 E718 K719 I724G568-R722 WeakPolarHBondContact CA-O 3.28Å; G568-R722 PolarHBondContact N-O 3.39Å; G690-R722 VanDerWaalsContact C-NH1 3.29Å; S691-R722 WeakPolarHBondContact O-CD 3.48Å; S691-R722 WeakPolarHBondContact O-CG 3.45Å; S691-R722 PolarHBondContact O-NH1 2.79Å; E692-R722 WeakPolarHBondContact O-CA 3.33Å; V694-R722 HydrophobicContact CG2-CB 4.43Å; E718-R722 IonicContact OE2-CZ 2.66Å; E718-R722 IonicContact OE2-NE 2.64Å; E718-R722 PolarHBondContact OE2-NE 3.37Å; E718-R722 IonicContact OE2-NH2 3.63Å; E718-R722 PolarHBondContact OE2-NH2 2.82Å; K719-R722 PolarHBondContact O-N 2.87Å; K719-R722 VanDerWaalsContact O-N 3.16Å; R722-I724 HydrophobicContact CB-CG1 4.24Å
723T92.6Very high86.1Confident1 Ų132.3 Ų32.31%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-95.5117165.9-530000108.3T538 L565 Y566 Y567 E692 I693 V694T538-T723 VanDerWaalsContact CB-OG1 3.29Å; T538-T723 WeakPolarHBondContact CB-OG1 3.23Å; T538-T723 HydrophobicContact CG2-CG2 4.49Å; T538-T723 WeakPolarHBondContact CG2-OG1 3.43Å; T538-T723 PolarHBondContact OG1-OG1 3.15Å; L565-T723 HydrophobicContact CB-CG2 3.74Å; Y566-T723 WeakPolarHBondContact O-CG2 3.33Å; Y567-T723 WeakPolarHBondContact CA-OG1 3.5Å; E692-T723 PolarHBondContact O-N 3.36Å; I693-T723 CarbonylContact C-O 3.55Å; I693-T723 WeakPolarHBondContact CA-O 3.17Å; V694-T723 PolarHBondContact N-O 3.48Å
724I93.9Very high86.2Confident0 Ų026 Ų260%012%0.116CC..EExtended strand (participates in β ladder)trans-113.9121.4-177-52.1-176.3000109.1Q569 I570 T571 V694 L696 L715 R722Q569-I724 PolarHBondContact O-N 3.4Å; Q569-I724 VanDerWaalsContact O-N 3.11Å; I570-I724 CarbonylContact C-O 3.59Å; I570-I724 WeakPolarHBondContact CA-O 3.47Å; I570-I724 HydrophobicContact CB-CB 4.47Å; I570-I724 HydrophobicContact CD1-CD1 4.49Å; I570-I724 HydrophobicContact CG1-CB 4.01Å; I570-I724 HydrophobicContact CG1-CD1 4.18Å; I570-I724 HydrophobicContact CG1-CG1 4.44Å; I570-I724 HydrophobicContact CG2-CB 4.46Å; I570-I724 HydrophobicContact CG2-CG2 4.38Å; T571-I724 PolarHBondContact N-O 3.25Å; V694-I724 HydrophobicContact CB-CG1 4.26Å; V694-I724 CarbonylContact O-C 3.58Å; V694-I724 WeakPolarHBondContact O-CA 3.31Å; L696-I724 HydrophobicContact CD1-CG2 3.86Å; L696-I724 HydrophobicContact CG-CG2 4.39Å; L715-I724 HydrophobicContact CD2-CD1 4.25Å; R722-I724 HydrophobicContact CB-CG1 4.24Å
725L94.4Very high86Confident1 Ų128.8 Ų28.81%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-105.5117.7165.3177.968.8000107.6L565 T571 L573 M585 L588 V694 L695 L696L565-L725 HydrophobicContact CD1-CB 3.91Å; L565-L725 HydrophobicContact CD1-CD2 4.2Å; L565-L725 HydrophobicContact CD1-CG 4.44Å; L565-L725 HydrophobicContact CD2-CD1 3.93Å; T571-L725 HydrophobicContact CG2-CD1 3.98Å; T571-L725 WeakPolarHBondContact O-CA 3.43Å; T571-L725 WeakPolarHBondContact O-CD1 3.37Å; L573-L725 HydrophobicContact CB-CD1 4.22Å; M585-L725 HydrophobicContact CE-CB 4.45Å; M585-L725 HydrophobicContact CE-CD2 3.73Å; M585-L725 HydrophobicContact CE-CG 3.64Å; M585-L725 HydrophobicContact SD-CD2 3.9Å; M585-L725 HydrophobicContact SD-CG 4.39Å; L588-L725 HydrophobicContact CD1-CD2 3.25Å; V694-L725 PolarHBondContact O-N 3.13Å; L695-L725 CarbonylContact C-O 3.59Å; L695-L725 WeakPolarHBondContact CA-O 3.19Å; L695-L725 HydrophobicContact CD2-CB 3.87Å; L695-L725 HydrophobicContact CD2-CD2 4.14Å; L696-L725 PolarHBondContact N-O 3.36Å
726L93.7Very high85.5Confident0 Ų030.3 Ų30.30%014%0.139CC..EExtended strand (participates in β ladder)trans-111.8141.9171.468.886.7000110.2I570 T571 A572 L573 L696 T728 L737I570-L726 HydrophobicContact CG2-CD2 3.39Å; I570-L726 HydrophobicContact CG2-CG 4.01Å; T571-L726 PolarHBondContact O-N 3.47Å; A572-L726 CarbonylContact C-O 3.5Å; A572-L726 WeakPolarHBondContact CA-O 2.99Å; A572-L726 HydrophobicContact CB-CD1 3.68Å; A572-L726 HydrophobicContact CB-CG 4.21Å; L573-L726 PolarHBondContact N-O 2.81Å; L696-L726 HydrophobicContact CB-CB 3.98Å; L696-L726 CarbonylContact O-C 3.37Å; L696-L726 VanDerWaalsContact O-CA 3.24Å; L696-L726 WeakPolarHBondContact O-CA 3.38Å; L726-T728 HydrophobicContact CD1-CG2 3.54Å; L726-L737 HydrophobicContact CD2-CB 3.94Å; L726-L737 HydrophobicContact CD2-CD1 3.72Å
727T90.9Very high85.4Confident0 Ų028.3 Ų28.30%013%0.129CC..EExtended strand (participates in β ladder)trans-103.1139.4158.753.40000107L573 K581 M585 L696 D697 E698 P699L573-T727 HydrophobicContact CB-CG2 3.75Å; L573-T727 HydrophobicContact CD2-CG2 3.85Å; L573-T727 HydrophobicContact CG-CG2 4.06Å; L573-T727 WeakPolarHBondContact O-CA 3.43Å; L573-T727 WeakPolarHBondContact O-CB 3.24Å; K581-T727 HydrophobicContact CB-CG2 3.9Å; K581-T727 HydrophobicContact CD-CG2 4.31Å; K581-T727 HydrophobicContact CG-CG2 4.49Å; M585-T727 HydrophobicContact CE-CG2 3.4Å; M585-T727 HydrophobicContact CG-CG2 4.28Å; L696-T727 PolarHBondContact O-N 3.01Å; L696-T727 PolarHBondContact O-OG1 3.22Å; D697-T727 VanDerWaalsContact CA-OG1 3.26Å; D697-T727 WeakPolarHBondContact CA-OG1 3.34Å; D697-T727 PolarHBondContact OD1-OG1 3.12Å; D697-T727 VanDerWaalsContact OD1-OG1 3.05Å; E698-T727 WeakPolarHBondContact CA-O 3.47Å; E698-T727 PolarHBondContact N-O 3.43Å; E698-T727 PolarHBondContact N-OG1 3.05Å; P699-T727 WeakPolarHBondContact CD-O 2.81Å
728T86.2Confident85.4Confident0 Ų024.8 Ų24.80%011%0.114CC..  trans-146149.1176-174.20000109.8L574 E698 L726 F730 E733 A734L574-T728 HydrophobicContact CD2-CG2 3.8Å; L574-T728 WeakPolarHBondContact CD2-O 3.44Å; E698-T728 WeakPolarHBondContact OE2-CA 3.4Å; L726-T728 HydrophobicContact CD1-CG2 3.54Å; T728-F730 WeakPolarHBondContact CG2-O 3.34Å; T728-F730 PolarHBondContact OG1-N 3.29Å; T728-F730 PolarHBondContact OG1-O 3.38Å; T728-E733 WeakPolarHBondContact CB-OE2 3.15Å; T728-E733 HydrophobicContact CG2-CB 4.15Å; T728-E733 HydrophobicContact CG2-CG 4.14Å; T728-E733 PolarHBondContact OG1-OE2 2.78Å; T728-A734 HydrophobicContact CG2-CB 3.83Å
729H79.1Confident85.3Confident19 Ų1926.5 Ų26.59%0.08812%0.124CC..SBendtrans-98.4-8.1163.967-75.1000112.1E698 T701 M731E698-H729 PolarHBondContact OE1-N 3.29Å; E698-H729 IonicContact OE2-CE1 2.9Å; E698-H729 IonicContact OE2-CG 2.82Å; E698-H729 PolarHBondContact OE2-N 3.49Å; E698-H729 IonicContact OE2-ND1 3.48Å; E698-H729 PolarHBondContact OE2-ND1 3Å; T701-H729 PolarHBondContact OG1-CE1 3.45Å; H729-M731 VanDerWaalsContact O-CE 3.32Å; H729-M731 WeakPolarHBondContact O-CE 3.38Å; H729-M731 PolarHBondContact O-N 2.69Å
730F78Confident85.3Confident30 Ų3026 Ų2613%0.13212%0.121CC..  trans-82.7111.7172.2-66.4-73.1000108.8T700 T728 E732 E733 A734T700-F730 WeakPolarHBondContact OG1-CD2 3.33Å; T728-F730 WeakPolarHBondContact CG2-O 3.34Å; T728-F730 PolarHBondContact OG1-N 3.29Å; T728-F730 PolarHBondContact OG1-O 3.38Å; F730-E732 VanDerWaalsContact C-N 3.3Å; F730-E732 PolarHBondContact O-N 3.39Å; F730-E733 HydrophobicContact CB-CB 3.83Å; F730-E733 WeakPolarHBondContact O-CB 3.46Å; F730-E733 PolarHBondContact O-N 3.32Å; F730-A734 PolarHBondContact O-N 3Å
731M78.7Confident85.7Confident10 Ų1020.8 Ų20.85%0.04910%0.096CC..Hα-helixtrans-70.2-33.8-175-61.9-69.5117.300111L574 H729 E733 A734 D735 M846 E847 F850 P1562L574-M731 HydrophobicContact CD1-CE 4.13Å; L574-M731 HydrophobicContact CD1-SD 3.88Å; L574-M731 HydrophobicContact CD2-CE 3.58Å; L574-M731 HydrophobicContact CD2-SD 4.36Å; L574-M731 HydrophobicContact CG-CE 4.33Å; H729-M731 VanDerWaalsContact O-CE 3.32Å; H729-M731 WeakPolarHBondContact O-CE 3.38Å; H729-M731 PolarHBondContact O-N 2.69Å; M731-E733 VanDerWaalsContact C-N 3.33Å; M731-E733 PolarHBondContact O-N 3.43Å; M731-A734 PolarHBondContact O-N 3.49Å; M731-D735 VanDerWaalsContact O-CB 3.3Å; M731-D735 WeakPolarHBondContact O-CB 3.41Å; M731-D735 PolarHBondContact O-N 3.26Å; M731-M846 HydrophobicContact CB-CB 4.02Å; M731-M846 HydrophobicContact CB-CG 4.44Å; M731-M846 HydrophobicContact SD-CG 4.32Å; M731-E847 HydrophobicContact CB-CB 4.04Å; M731-E847 VanDerWaalsContact CG-CA 3.47Å; M731-E847 HydrophobicContact CG-CB 3.64Å; M731-E847 HydrophobicContact CG-CG 3.99Å; M731-F850 HydrophobicContact SD-CB 4Å; M731-F850 HydrophobicContact SD-CG 4.3Å; M731-P1562 HydrophobicContact CE-CG 4.4Å
732E77Confident85.9Confident57 Ų5714.7 Ų14.727%0.2667%0.072SC..Hα-helixtrans-62-37.4171.3-63.4175.1148.300112.5W712 F730 D735 L736W712-E732 HydrophobicContact CH2-CB 4.3Å; F730-E732 VanDerWaalsContact C-N 3.3Å; F730-E732 PolarHBondContact O-N 3.39Å; E732-D735 PolarHBondContact O-N 3.38Å; E732-L736 WeakPolarHBondContact O-CB 3.37Å; E732-L736 PolarHBondContact O-N 2.92Å
733E82.5Confident85.8Confident0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-66.2-41.8176177.4178-177.900111.3P699 T700 W712 T728 F730 M731 D735 L737P699-E733 VanDerWaalsContact CG-OE1 3.26Å; P699-E733 WeakPolarHBondContact CG-OE1 3.45Å; T700-E733 WeakPolarHBondContact CB-OE2 3.25Å; T700-E733 VanDerWaalsContact CG2-CD 3.47Å; T700-E733 HydrophobicContact CG2-CG 4.47Å; T700-E733 WeakPolarHBondContact CG2-OE1 3.3Å; T700-E733 WeakPolarHBondContact CG2-OE2 3.47Å; T700-E733 PolarHBondContact OG1-OE2 2.94Å; W712-E733 HydrophobicContact CZ2-CB 3.84Å; T728-E733 WeakPolarHBondContact CB-OE2 3.15Å; T728-E733 HydrophobicContact CG2-CB 4.15Å; T728-E733 HydrophobicContact CG2-CG 4.14Å; T728-E733 PolarHBondContact OG1-OE2 2.78Å; F730-E733 HydrophobicContact CB-CB 3.83Å; F730-E733 WeakPolarHBondContact O-CB 3.46Å; F730-E733 PolarHBondContact O-N 3.32Å; M731-E733 VanDerWaalsContact C-N 3.33Å; M731-E733 PolarHBondContact O-N 3.43Å; E733-D735 VanDerWaalsContact C-N 3.33Å; E733-L737 HydrophobicContact CG-CD1 3.73Å; E733-L737 HydrophobicContact CG-CG 4.3Å; E733-L737 VanDerWaalsContact O-CB 3.24Å; E733-L737 WeakPolarHBondContact O-CB 3.37Å; E733-L737 PolarHBondContact O-N 3.49Å
734A85.5Confident85.6Confident0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-67.8-36175.100000112A572 L574 T728 F730 M731 G738 I741A572-A734 HydrophobicContact CB-CB 3.83Å; L574-A734 HydrophobicContact CD1-CB 4.04Å; L574-A734 HydrophobicContact CD2-CB 3.71Å; L574-A734 HydrophobicContact CG-CB 4.18Å; T728-A734 HydrophobicContact CG2-CB 3.83Å; F730-A734 PolarHBondContact O-N 3Å; M731-A734 PolarHBondContact O-N 3.49Å; A734-G738 WeakPolarHBondContact O-CA 3.48Å; A734-G738 PolarHBondContact O-N 2.85Å; A734-I741 HydrophobicContact CB-CD1 4.2Å; A734-I741 HydrophobicContact CB-CG1 4.47Å; A734-I741 VanDerWaalsContact O-CD1 3.27Å; A734-I741 WeakPolarHBondContact O-CD1 3.47Å
735D81.4Confident85Confident58 Ų5813.5 Ų13.531%0.317%0.068SC..Hα-helixtrans-66.3-43.2177.3-164.316.9000112M731 E732 E733 S755 K759 M846M731-D735 VanDerWaalsContact O-CB 3.3Å; M731-D735 WeakPolarHBondContact O-CB 3.41Å; M731-D735 PolarHBondContact O-N 3.26Å; E732-D735 PolarHBondContact O-N 3.38Å; E733-D735 VanDerWaalsContact C-N 3.33Å; D735-S755 WeakPolarHBondContact OD1-CB 3.46Å; D735-S755 PolarHBondContact OD1-OG 3.29Å; D735-K759 IonicContact OD1-NZ 3.58Å; D735-K759 PolarHBondContact OD1-NZ 3.02Å; D735-K759 IonicContact OD2-NZ 3.01Å; D735-K759 PolarHBondContact OD2-NZ 3.3Å; D735-M846 HydrophobicContact CB-CB 4.42Å
736L78.4Confident84.3Confident32 Ų3217.1 Ų17.117%0.1689%0.087CC..Hα-helixtrans-79.1-49.8-179.5-178.468.9000113W712 E732 E1654W712-L736 HydrophobicContact CB-CD2 4.08Å; W712-L736 HydrophobicContact CD2-CD2 3.59Å; W712-L736 HydrophobicContact CE3-CD2 3.15Å; W712-L736 HydrophobicContact CG-CD2 4.04Å; W712-L736 HydrophobicContact CZ3-CD2 3.69Å; E732-L736 WeakPolarHBondContact O-CB 3.37Å; E732-L736 PolarHBondContact O-N 2.92Å; L736-E1654 WeakPolarHBondContact CD1-OE2 3.31Å
737L84.2Confident83.7Confident1 Ų117.2 Ų17.21%0.0059%0.088CC..Hα-helixtrans-88-29.2-173.3-60.6-177.1000112.8I570 W712 L715 L716 L726 E733 D739I570-L737 WeakPolarHBondContact CB-O 3.49Å; I570-L737 HydrophobicContact CD1-CB 4.14Å; I570-L737 HydrophobicContact CD1-CD2 4.44Å; I570-L737 HydrophobicContact CG2-CB 4.22Å; I570-L737 WeakPolarHBondContact CG2-O 3.26Å; W712-L737 HydrophobicContact CB-CD2 4.02Å; W712-L737 HydrophobicContact CG-CD1 4.36Å; W712-L737 HydrophobicContact CG-CD2 4.28Å; W712-L737 HydrophobicContact CG-CG 4.41Å; L715-L737 HydrophobicContact CB-CD1 4.36Å; L715-L737 HydrophobicContact CB-CD2 4.37Å; L715-L737 HydrophobicContact CD1-CD1 3.65Å; L716-L737 HydrophobicContact CD1-CD2 4.17Å; L716-L737 HydrophobicContact CD2-CD2 3.88Å; L716-L737 HydrophobicContact CG-CD2 3.65Å; L726-L737 HydrophobicContact CD2-CB 3.94Å; L726-L737 HydrophobicContact CD2-CD1 3.72Å; E733-L737 HydrophobicContact CG-CD1 3.73Å; E733-L737 HydrophobicContact CG-CG 4.3Å; E733-L737 VanDerWaalsContact O-CB 3.24Å; E733-L737 WeakPolarHBondContact O-CB 3.37Å; E733-L737 PolarHBondContact O-N 3.49Å; L737-D739 PolarHBondContact O-N 3.37Å; L737-D739 VanDerWaalsContact O-N 3.14Å
738G84.5Confident83.3Confident8 Ų818.9 Ų18.98%0.08210%0.1CC..  trans-7997.5-169.100000113.2A734 R740A734-G738 WeakPolarHBondContact O-CA 3.48Å; A734-G738 PolarHBondContact O-N 2.85Å; G738-R740 PolarHBondContact O-N 3.44Å
739D84.1Confident83.3Confident40 Ų4020.3 Ų20.321%0.21411%0.107CC..SBendtrans-57.4-34.9164.6-63.4-61.3000110.7Q569 I570 K719 L737 T754Q569-D739 WeakPolarHBondContact CA-OD2 3.42Å; Q569-D739 HydrophobicContact CB-CB 4.23Å; Q569-D739 HydrophobicContact CG-CB 4.42Å; I570-D739 PolarHBondContact N-OD2 2.7Å; I570-D739 PolarHBondContact O-N 3.06Å; K719-D739 VanDerWaalsContact CD-OD2 3.31Å; K719-D739 WeakPolarHBondContact CD-OD2 3.34Å; K719-D739 WeakPolarHBondContact CE-OD2 3.34Å; K719-D739 VanDerWaalsContact NZ-CG 3.28Å; K719-D739 IonicContact NZ-OD1 3.26Å; K719-D739 PolarHBondContact NZ-OD1 2.79Å; K719-D739 IonicContact NZ-OD2 3.64Å; K719-D739 PolarHBondContact NZ-OD2 3.02Å; K719-D739 VanDerWaalsContact NZ-OD2 3.12Å; L737-D739 PolarHBondContact O-N 3.37Å; L737-D739 VanDerWaalsContact O-N 3.14Å; D739-T754 WeakPolarHBondContact O-CG2 3.37Å
740R86.5Confident83.6Confident26 Ų2622 Ų2210%0.09812%0.115CC..EExtended strand (participates in β ladder)trans-131.9134.8169.7-63.9-176.869.588.3-2.4109.8E529 I570 T571 A572 G738E529-R740 PolarHBondContact O-NH1 3.09Å; E529-R740 PolarHBondContact O-NH2 3.15Å; I570-R740 PolarHBondContact O-N 3.32Å; T571-R740 CarbonylContact C-O 3.46Å; T571-R740 VanDerWaalsContact CA-O 3.3Å; T571-R740 WeakPolarHBondContact CA-O 3.28Å; T571-R740 HydrophobicContact CG2-CB 4.35Å; A572-R740 PolarHBondContact N-O 2.74Å; G738-R740 PolarHBondContact O-N 3.44Å
741I90.4Very high84Confident0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-115.8120.3177.6-57.6178.1000108.1A572 L574 A734 C752 G753 L758 M846A572-I741 HydrophobicContact CB-CG1 4.32Å; A572-I741 CarbonylContact O-C 3.33Å; A572-I741 WeakPolarHBondContact O-CA 3.29Å; L574-I741 HydrophobicContact CD1-CG2 3.38Å; L574-I741 HydrophobicContact CG-CG2 3.83Å; A734-I741 HydrophobicContact CB-CD1 4.2Å; A734-I741 HydrophobicContact CB-CG1 4.47Å; A734-I741 VanDerWaalsContact O-CD1 3.27Å; A734-I741 WeakPolarHBondContact O-CD1 3.47Å; I741-C752 VanDerWaalsContact O-CA 3.28Å; I741-C752 WeakPolarHBondContact O-CA 3.27Å; I741-G753 PolarHBondContact N-O 2.82Å; I741-G753 PolarHBondContact O-N 3.29Å; I741-L758 HydrophobicContact CB-CD1 3.7Å; I741-L758 HydrophobicContact CG2-CD1 3.84Å; I741-M846 HydrophobicContact CD1-CE 3.58Å; I741-M846 HydrophobicContact CD1-CG 4.28Å; I741-M846 HydrophobicContact CD1-SD 4Å; I741-M846 HydrophobicContact CG2-SD 4.4Å
742A90.6Very high84.5Confident0 Ų020.4 Ų20.40%011%0.108CC..EExtended strand (participates in β ladder)trans-108.7124.117900000109.3L563 A572 L573 L574 L749 C751 C752L563-A742 HydrophobicContact CD1-CB 4.32Å; A572-A742 PolarHBondContact O-N 2.76Å; L573-A742 CarbonylContact C-O 3.45Å; L573-A742 WeakPolarHBondContact CA-O 3.47Å; L573-A742 HydrophobicContact CD1-CB 3.86Å; L574-A742 PolarHBondContact N-O 3.23Å; A742-L749 HydrophobicContact CB-CD1 3.8Å; A742-C751 WeakPolarHBondContact CA-O 3.32Å; A742-C752 HydrophobicContact CB-CB 4.49Å
743V89.5Confident84.9Confident1 Ų117.7 Ų17.71%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-104.2117.7-179.9-178.30000110.4L574 Q750 C751 F850 V853L574-V743 HydrophobicContact CB-CG2 4.31Å; L574-V743 HydrophobicContact CD1-CG2 4.5Å; V743-Q750 PolarHBondContact O-N 3.24Å; V743-C751 VanDerWaalsContact CB-SG 3.58Å; V743-C751 VanDerWaalsContact CG2-SG 3.5Å; V743-C751 PolarHBondContact N-O 3.25Å; V743-F850 HydrophobicContact CG1-CD2 3.73Å; V743-F850 HydrophobicContact CG1-CE2 3.88Å; V743-V853 HydrophobicContact CB-CG1 4.35Å; V743-V853 HydrophobicContact CG1-CB 4.48Å; V743-V853 HydrophobicContact CG1-CG1 3.98Å
744L87.6Confident84.9Confident0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-103.4129.2-179.8-174.174.5000111.1L558 F561 L573 L574 G575 A579 G580 K581 S748L558-L744 HydrophobicContact CD2-CD1 4.46Å; L558-L744 HydrophobicContact CD2-CD2 4.39Å; F561-L744 HydrophobicContact CD2-CD1 3.7Å; F561-L744 HydrophobicContact CE2-CD1 3.71Å; L573-L744 HydrophobicContact CD1-CB 4.08Å; L574-L744 WeakPolarHBondContact O-CB 3.48Å; L574-L744 PolarHBondContact O-N 2.97Å; G575-L744 WeakPolarHBondContact CA-O 3.33Å; A579-L744 HydrophobicContact CB-CD2 4.23Å; A579-L744 HydrophobicContact CB-CG 4.19Å; A579-L744 WeakPolarHBondContact CB-O 3.46Å; A579-L744 WeakPolarHBondContact O-CD2 3.24Å; A579-L744 WeakPolarHBondContact O-CG 3.27Å; G580-L744 VanDerWaalsContact C-CD2 3.44Å; K581-L744 HydrophobicContact CG-CD2 4.17Å; L744-S748 WeakPolarHBondContact CD1-O 3.22Å
745S82.6Confident84.7Confident0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-138.3135.3172.7-175.30000111.3H576 G747 S748H576-S745 PolarHBondContact NE2-OG 3.14Å; S745-G747 PolarHBondContact O-N 2.8Å; S745-S748 PolarHBondContact N-O 2.66Å; S745-S748 PolarHBondContact O-N 3.27Å; S745-S748 PolarHBondContact O-OG 3.32Å
746N79.4Confident84.5Confident78 Ų7817.7 Ų17.742%0.41710%0.097SC..THydrogen-bonded Turntrans48.935.1177.6-64.1-35.1000114.8H576 S748H576-N746 PolarHBondContact NE2-N 3.11Å; N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.42Å
747G80.3Confident84.6Confident1 Ų118.1 Ų18.11%0.0110%0.098CC..THydrogen-bonded Turntrans83.1-2.3-179.600000115.6A557 L558 R559 A579 S745A557-G747 WeakPolarHBondContact O-CA 3.35Å; L558-G747 WeakPolarHBondContact CA-O 3.19Å; R559-G747 PolarHBondContact N-O 3.08Å; A579-G747 VanDerWaalsContact O-CA 3.28Å; A579-G747 WeakPolarHBondContact O-CA 3.48Å; A579-G747 PolarHBondContact O-N 3.34Å; S745-G747 PolarHBondContact O-N 2.8Å
748S83.5Confident84.5Confident36 Ų3618.1 Ų18.125%0.25210%0.097SC..EExtended strand (participates in β ladder)trans-113.4141.6179.558.80000111.6L744 S745 N746 Q750L744-S748 WeakPolarHBondContact CD1-O 3.22Å; S745-S748 PolarHBondContact N-O 2.66Å; S745-S748 PolarHBondContact O-N 3.27Å; S745-S748 PolarHBondContact O-OG 3.32Å; N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.42Å; S748-Q750 PolarHBondContact OG-NE2 3.39Å
749L86.8Confident84.3Confident29 Ų2918.6 Ų18.615%0.15210%0.097CC..EExtended strand (participates in β ladder)trans-78.9123.8175.7-174.165.9000109.4F528 F561 S562 L563 A742F528-L749 HydrophobicContact CE1-CD2 3.66Å; F528-L749 HydrophobicContact CE1-CG 3.82Å; F528-L749 HydrophobicContact CZ-CD2 4.41Å; F528-L749 HydrophobicContact CZ-CG 4.22Å; F561-L749 HydrophobicContact CD2-CB 4.26Å; F561-L749 HydrophobicContact CE2-CB 4.24Å; F561-L749 HydrophobicContact CE2-CD1 4.29Å; S562-L749 VanDerWaalsContact O-CD2 3.24Å; S562-L749 WeakPolarHBondContact O-CD2 3.34Å; L563-L749 HydrophobicContact CD1-CD2 4.32Å; A742-L749 HydrophobicContact CB-CD1 3.8Å
750Q85.4Confident83.8Confident56 Ų5624 Ų2426%0.26212%0.115SC..EExtended strand (participates in β ladder)trans-96.6-41.9-171.8-65.4-66.6-36.200113.1V743 S748 V853V743-Q750 PolarHBondContact O-N 3.24Å; S748-Q750 PolarHBondContact OG-NE2 3.39Å; Q750-V853 HydrophobicContact CB-CG1 3.58Å; Q750-V853 HydrophobicContact CG-CG1 4.31Å
751C86.3Confident83.1Confident0 Ų027.2 Ų27.20%013%0.131CC..EExtended strand (participates in β ladder)trans-153.8155.2177.865.90000109.9N527 A742 V743 L758 F762N527-C751 HydrophobicContact CB-CB 3.87Å; N527-C751 WeakPolarHBondContact O-CA 3.46Å; N527-C751 VanDerWaalsContact O-CB 3.28Å; N527-C751 WeakPolarHBondContact O-CB 3.08Å; A742-C751 WeakPolarHBondContact CA-O 3.32Å; V743-C751 VanDerWaalsContact CB-SG 3.58Å; V743-C751 VanDerWaalsContact CG2-SG 3.5Å; V743-C751 PolarHBondContact N-O 3.25Å; C751-L758 HydrophobicContact CB-CD2 4.08Å; C751-F762 HydrophobicContact CB-CE2 4.03Å; C751-F762 HydrophobicContact CB-CZ 4.17Å
752C88.1Confident82.5Confident5 Ų529.1 Ų29.13%0.03414%0.139CC..EExtended strand (participates in β ladder)trans-149.7123.6176-1750000110.1N527 F528 E529 I741 A742N527-C752 PolarHBondContact O-N 2.92Å; F528-C752 CarbonylContact C-O 3.52Å; F528-C752 WeakPolarHBondContact CA-O 3.26Å; F528-C752 HydrophobicContact CD1-CB 3.66Å; F528-C752 HydrophobicContact CE1-CB 3.98Å; E529-C752 PolarHBondContact N-O 3.25Å; I741-C752 VanDerWaalsContact O-CA 3.28Å; I741-C752 WeakPolarHBondContact O-CA 3.27Å; A742-C752 HydrophobicContact CB-CB 4.49Å
753G85.7Confident81.3Confident0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans178.1-177.3178.100000112.8I741I741-G753 PolarHBondContact N-O 2.82Å; I741-G753 PolarHBondContact O-N 3.29Å
754T82.5Confident80.2Confident33 Ų3333.6 Ų33.620%0.20217%0.166CC..  trans-63.5153.4176.156.60000111.3E529 D739 F756 F757 L758E529-T754 WeakPolarHBondContact OE2-CB 3.22Å; E529-T754 VanDerWaalsContact OE2-CG2 3.31Å; E529-T754 WeakPolarHBondContact OE2-CG2 3.23Å; E529-T754 PolarHBondContact OE2-N 3.29Å; E529-T754 PolarHBondContact OE2-OG1 3Å; D739-T754 WeakPolarHBondContact O-CG2 3.37Å; T754-F756 PolarHBondContact O-N 2.56Å; T754-F757 PolarHBondContact O-N 3.14Å; T754-F757 VanDerWaalsContact O-N 3.1Å; T754-F757 WeakPolarHBondContact OG1-CB 3.37Å; T754-F757 PolarHBondContact OG1-N 2.66Å; T754-L758 WeakPolarHBondContact O-CG 3.16Å; T754-L758 PolarHBondContact O-N 2.84Å
755S80.8Confident79.5Confident9 Ų934.4 Ų34.46%0.06318%0.175CC..Hα-helixtrans-51.9-43.8175.8176.40000112.3D735 L758 K759 M846D735-S755 WeakPolarHBondContact OD1-CB 3.46Å; D735-S755 PolarHBondContact OD1-OG 3.29Å; S755-L758 PolarHBondContact O-N 2.87Å; S755-K759 WeakPolarHBondContact O-CB 3.24Å; S755-K759 WeakPolarHBondContact O-CG 3.47Å; S755-K759 PolarHBondContact O-N 3.11Å; S755-M846 WeakPolarHBondContact OG-CE 3.45Å
756F76.7Confident79.5Confident16 Ų1635.4 Ų35.47%0.0718%0.179CC..Hα-helixtrans-62.2-46.2178.1-170.7-85.5000112.9T754 L758 K759 R760 K1629 D1689 M1691T754-F756 PolarHBondContact O-N 2.56Å; F756-L758 VanDerWaalsContact C-N 3.33Å; F756-L758 PolarHBondContact O-N 2.71Å; F756-K759 PolarHBondContact O-N 3.05Å; F756-R760 WeakPolarHBondContact O-CB 3.41Å; F756-R760 PolarHBondContact O-N 3.43Å; F756-R760 VanDerWaalsContact O-N 3.1Å; F756-K1629 HydrophobicContact CD1-CD 3.53Å; F756-K1629 HydrophobicContact CE1-CD 3.86Å; F756-K1629 HydrophobicContact CG-CD 3.93Å; F756-D1689 HydrophobicContact CE1-CB 3.95Å; F756-D1689 HydrophobicContact CE2-CB 4.04Å; F756-D1689 HydrophobicContact CZ-CB 3.27Å; F756-D1689 VanDerWaalsContact CZ-CG 3.49Å; F756-D1689 VanDerWaalsContact CZ-OD2 3.31Å; F756-D1689 WeakPolarHBondContact CZ-OD2 3.49Å; F756-M1691 HydrophobicContact CD2-SD 4.24Å; F756-M1691 HydrophobicContact CE2-CG 4.04Å; F756-M1691 HydrophobicContact CE2-SD 3.92Å
757F80.4Confident79.6Confident42 Ų4234.3 Ų34.318%0.18417%0.169CC..Hα-helixtrans-58.1-46.2175.6169.1-99.4000111.2E529 T754 R760 Q761E529-F757 HydrophobicContact CB-CD1 3.9Å; E529-F757 HydrophobicContact CB-CD2 4.31Å; E529-F757 HydrophobicContact CB-CE1 4Å; E529-F757 HydrophobicContact CB-CE2 4.4Å; E529-F757 HydrophobicContact CB-CG 4.06Å; E529-F757 HydrophobicContact CB-CZ 4.25Å; E529-F757 HydrophobicContact CG-CD2 4.29Å; E529-F757 HydrophobicContact CG-CG 4.27Å; E529-F757 WeakPolarHBondContact OE2-CB 3.3Å; T754-F757 PolarHBondContact O-N 3.14Å; T754-F757 VanDerWaalsContact O-N 3.1Å; T754-F757 WeakPolarHBondContact OG1-CB 3.37Å; T754-F757 PolarHBondContact OG1-N 2.66Å; F757-R760 PolarHBondContact O-N 3.24Å; F757-Q761 VanDerWaalsContact O-CB 3.24Å; F757-Q761 WeakPolarHBondContact O-CB 2.98Å; F757-Q761 PolarHBondContact O-N 3.16Å
758L82.8Confident79.9Confident0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-68.8-42.4-178.6-64.2179.6000112.9I741 C751 T754 S755 F756 R760 Q761 F762 M846 V849I741-L758 HydrophobicContact CB-CD1 3.7Å; I741-L758 HydrophobicContact CG2-CD1 3.84Å; C751-L758 HydrophobicContact CB-CD2 4.08Å; T754-L758 WeakPolarHBondContact O-CG 3.16Å; T754-L758 PolarHBondContact O-N 2.84Å; S755-L758 PolarHBondContact O-N 2.87Å; F756-L758 VanDerWaalsContact C-N 3.33Å; F756-L758 PolarHBondContact O-N 2.71Å; L758-R760 VanDerWaalsContact C-N 3.28Å; L758-R760 PolarHBondContact O-N 3.4Å; L758-Q761 PolarHBondContact O-N 3.44Å; L758-F762 HydrophobicContact CD2-CD2 4.25Å; L758-F762 HydrophobicContact CD2-CE2 3.93Å; L758-F762 WeakPolarHBondContact O-CB 3.31Å; L758-F762 WeakPolarHBondContact O-CD2 3.49Å; L758-F762 PolarHBondContact O-N 3.3Å; L758-M846 HydrophobicContact CB-CE 4.34Å; L758-M846 HydrophobicContact CD1-SD 4.34Å; L758-V849 HydrophobicContact CB-CG1 4.08Å
759K80.1Confident79.9Confident18 Ų1834.7 Ų34.78%0.07816%0.164CC..Hα-helixtrans-62.1-34.5176-76175.3176.7167.90112.5D735 S755 F756 G763 I844 M846 V849D735-K759 IonicContact OD1-NZ 3.58Å; D735-K759 PolarHBondContact OD1-NZ 3.02Å; D735-K759 IonicContact OD2-NZ 3.01Å; D735-K759 PolarHBondContact OD2-NZ 3.3Å; S755-K759 WeakPolarHBondContact O-CB 3.24Å; S755-K759 WeakPolarHBondContact O-CG 3.47Å; S755-K759 PolarHBondContact O-N 3.11Å; F756-K759 PolarHBondContact O-N 3.05Å; K759-G763 WeakPolarHBondContact O-CA 3.28Å; K759-G763 PolarHBondContact O-N 3.08Å; K759-I844 HydrophobicContact CB-CG2 4.1Å; K759-I844 WeakPolarHBondContact CE-O 3.44Å; K759-I844 HydrophobicContact CG-CG2 4.11Å; K759-M846 HydrophobicContact CG-CE 4.09Å; K759-V849 HydrophobicContact CG-CG2 4.11Å
760R73.1Confident79.8Confident154 Ų15433.3 Ų33.358%0.58116%0.157SC*.Hα-helixtrans-78-43.1176.5-176.9169.7171.9165.9-8.2112.6F756 F757 L758 F762 D1689F756-R760 WeakPolarHBondContact O-CB 3.41Å; F756-R760 PolarHBondContact O-N 3.43Å; F756-R760 VanDerWaalsContact O-N 3.1Å; F757-R760 PolarHBondContact O-N 3.24Å; L758-R760 VanDerWaalsContact C-N 3.28Å; L758-R760 PolarHBondContact O-N 3.4Å; R760-F762 VanDerWaalsContact C-N 3.33Å; R760-F762 PolarHBondContact O-N 3.3Å; R760-D1689 IonicContact CZ-OD2 3.78Å; R760-D1689 IonicContact NH1-OD2 2.71Å; R760-D1689 PolarHBondContact NH1-OD2 3.4Å
761Q73.8Confident79.5Confident93 Ų9330.7 Ų30.744%0.43515%0.145SC..Hα-helixtrans-66.4-35.9-179.2-175.263.515.700112.3F757 L758F757-Q761 VanDerWaalsContact O-CB 3.24Å; F757-Q761 WeakPolarHBondContact O-CB 2.98Å; F757-Q761 PolarHBondContact O-N 3.16Å; L758-Q761 PolarHBondContact O-N 3.44Å
762F77Confident79.2Confident40 Ų4030.8 Ų30.818%0.17515%0.145CC..Hα-helixtrans-116.7-1.7-173.4-62.3-72.4000114.8N527 C751 L758 R760 V849 R852 V853N527-F762 HydrophobicContact CB-CZ 4.41Å; C751-F762 HydrophobicContact CB-CE2 4.03Å; C751-F762 HydrophobicContact CB-CZ 4.17Å; L758-F762 HydrophobicContact CD2-CD2 4.25Å; L758-F762 HydrophobicContact CD2-CE2 3.93Å; L758-F762 WeakPolarHBondContact O-CB 3.31Å; L758-F762 WeakPolarHBondContact O-CD2 3.49Å; L758-F762 PolarHBondContact O-N 3.3Å; R760-F762 VanDerWaalsContact C-N 3.33Å; R760-F762 PolarHBondContact O-N 3.3Å; F762-V849 HydrophobicContact CB-CG1 3.89Å; F762-V849 HydrophobicContact CB-CG2 4.48Å; F762-V849 HydrophobicContact CD2-CG1 4Å; F762-V849 HydrophobicContact CG-CG1 4.27Å; F762-R852 WeakPolarHBondContact O-CD 3.4Å; F762-R852 PolarHBondContact O-NH1 3.25Å; F762-V853 HydrophobicContact CD1-CG2 3.77Å; F762-V853 HydrophobicContact CD2-CG2 3.8Å; F762-V853 HydrophobicContact CE1-CG2 3.78Å; F762-V853 HydrophobicContact CE2-CG2 3.81Å; F762-V853 HydrophobicContact CG-CG2 3.78Å; F762-V853 HydrophobicContact CZ-CG2 3.8Å
763G66.2Low78.6Confident14 Ų1434 Ų3414%0.14416%0.162CC..  trans-102.3152-175.800000115.4K759 I844K759-G763 WeakPolarHBondContact O-CA 3.28Å; K759-G763 PolarHBondContact O-N 3.08Å; G763-I844 VanDerWaalsContact CA-CD1 3.41Å
764D65.6Low77.3Confident81 Ų8143.4 Ų43.443%0.43321%0.206SC..  trans-10544.4179.5-61-5.4000111.7L812 P813 R852D764-L812 CarbonylContact O-C 3.56Å; D764-P813 CarbonylContact O-C 3.48Å; D764-P813 WeakPolarHBondContact O-CA 3.21Å; D764-R852 IonicContact OD1-CZ 3.39Å; D764-R852 IonicContact OD1-NH1 3.33Å; D764-R852 PolarHBondContact OD1-NH1 2.95Å; D764-R852 IonicContact OD1-NH2 2.68Å; D764-R852 IonicContact OD2-CZ 2.6Å; D764-R852 IonicContact OD2-NH1 3.67Å; D764-R852 PolarHBondContact OD2-NH1 3.49Å; D764-R852 IonicContact OD2-NH2 3.61Å; D764-R852 PolarHBondContact OD2-NH2 2.92Å
765G73.4Confident75.8Confident17 Ų1742.8 Ų42.818%0.17520%0.202CC..  trans78-143.817400000116.9L812G765-L812 CarbonylContact C-O 3.54Å; G765-L812 WeakPolarHBondContact CA-O 3.38Å
766Y82.7Confident74.5Confident21 Ų2145.7 Ų45.78%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-95.8164.7-170.3-67.9-84.3000113.7L812 L820 L841 I843 L1692Y766-L812 PolarHBondContact N-O 2.62Å; Y766-L812 WeakPolarHBondContact O-CA 3.27Å; Y766-L812 PolarHBondContact O-N 2.6Å; Y766-L820 HydrophobicContact CD2-CD1 3.48Å; Y766-L820 VanDerWaalsContact CD2-CD1 3.48Å; Y766-L820 HydrophobicContact CD2-CD2 4.32Å; Y766-L820 HydrophobicContact CE2-CD1 3.33Å; Y766-L820 HydrophobicContact CG-CD1 4.39Å; Y766-L841 HydrophobicContact CD1-CD2 3.4Å; Y766-L841 VanDerWaalsContact CD1-CD2 3.4Å; Y766-L841 HydrophobicContact CD1-CG 3.89Å; Y766-L841 HydrophobicContact CE1-CD2 3.85Å; Y766-L841 HydrophobicContact CG-CD1 4.47Å; Y766-L841 HydrophobicContact CG-CD2 3.88Å; Y766-L841 HydrophobicContact CG-CG 4.29Å; Y766-I843 HydrophobicContact CD1-CG1 4.16Å; Y766-I843 HydrophobicContact CE1-CG1 4.05Å; Y766-L1692 WeakPolarHBondContact CE1-O 3.41Å
767R81.3Confident73.5Confident56 Ų5650.2 Ų50.221%0.21126%0.26CS..EExtended strand (participates in β ladder)trans-128.3119.6175.8-67.8-179.2172.4-163-3111.7L809 F810 L841 S842 E848R767-L809 HydrophobicContact CB-CD1 4.06Å; R767-F810 CarbonylContact C-O 3.53Å; R767-F810 VanDerWaalsContact CA-O 3.3Å; R767-F810 WeakPolarHBondContact CA-O 3.29Å; R767-L841 CarbonylContact O-C 3.5Å; R767-L841 WeakPolarHBondContact O-CA 3.25Å; R767-S842 WeakPolarHBondContact CB-OG 3.47Å; R767-S842 PolarHBondContact N-O 3.5Å; R767-S842 PolarHBondContact O-N 3.21Å; R767-S842 PolarHBondContact O-OG 3.25Å; R767-E848 IonicContact CZ-OE1 2.77Å; R767-E848 IonicContact CZ-OE2 2.72Å; R767-E848 IonicContact NE-OE2 2.64Å; R767-E848 IonicContact NH1-OE1 3.39Å; R767-E848 PolarHBondContact NH1-OE1 3.3Å; R767-E848 IonicContact NH1-OE2 2.8Å; R767-E848 PolarHBondContact NH1-OE2 3.14Å; R767-E848 IonicContact NH2-OE1 3.11Å; R767-E848 PolarHBondContact NH2-OE1 3.2Å; R767-E848 IonicContact NH2-OE2 2.76Å; R767-E848 PolarHBondContact NH2-OE2 2.72Å
768L86.4Confident72.3Confident0 Ų053.2 Ų53.20%029%0.286CS..EExtended strand (participates in β ladder)trans-95.7115.4177.9174.369.5000109.8V770 I791 F810 L812 L823 F824 L827 L841L768-V770 HydrophobicContact CD1-CG2 4.42Å; L768-V770 HydrophobicContact CD2-CG2 4.27Å; L768-V770 HydrophobicContact CG-CG2 3.97Å; L768-I791 HydrophobicContact CD2-CD1 3.87Å; L768-I791 HydrophobicContact CD2-CG1 4.37Å; L768-F810 HydrophobicContact CB-CB 4.3Å; L768-F810 HydrophobicContact CD2-CD2 4.4Å; L768-F810 PolarHBondContact N-O 3.36Å; L768-F810 PolarHBondContact O-N 2.96Å; L768-L812 HydrophobicContact CB-CD1 3.97Å; L768-L812 HydrophobicContact CB-CG 4.39Å; L768-L823 HydrophobicContact CD2-CD2 4.28Å; L768-F824 HydrophobicContact CD1-CE1 3.83Å; L768-F824 HydrophobicContact CD1-CZ 3.97Å; L768-L827 HydrophobicContact CD1-CD1 3.97Å; L768-L827 HydrophobicContact CD2-CD1 3.54Å; L768-L827 HydrophobicContact CG-CD1 4.38Å; L768-L841 HydrophobicContact CB-CD1 4.27Å
769R83.6Confident71.4Confident44 Ų4455.4 Ų55.417%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-99.3133.6173.8-171-174.5-71.4-1037.3109.4E807 A808 L809 F839 G840 E1593R769-E807 IonicContact CZ-OE2 3.64Å; R769-E807 IonicContact NH1-OE2 3.64Å; R769-E807 PolarHBondContact NH1-OE2 3.44Å; R769-A808 CarbonylContact C-O 3.51Å; R769-A808 WeakPolarHBondContact CA-O 3.4Å; R769-L809 HydrophobicContact CB-CD1 4.18Å; R769-F839 CarbonylContact O-C 3.54Å; R769-F839 WeakPolarHBondContact O-CA 3.34Å; R769-F839 WeakPolarHBondContact O-CB 3.32Å; R769-G840 PolarHBondContact N-O 2.62Å; R769-G840 PolarHBondContact O-N 2.88Å; R769-E1593 IonicContact CZ-OE1 3.59Å; R769-E1593 IonicContact NE-OE1 2.84Å; R769-E1593 IonicContact NH2-OE1 3.82Å; R769-E1593 PolarHBondContact NH2-OE1 2.99Å
770V84.4Confident70.8Confident0 Ų055.2 Ų55.20%030%0.301CS..EExtended strand (participates in β ladder)trans-131.5131.6-177.4-176.50000109.6L768 F772 L787 E807 A808 F810 I836 F839L768-V770 HydrophobicContact CD1-CG2 4.42Å; L768-V770 HydrophobicContact CD2-CG2 4.27Å; L768-V770 HydrophobicContact CG-CG2 3.97Å; V770-F772 HydrophobicContact CG1-CE2 4.25Å; V770-F772 HydrophobicContact CG1-CZ 4.23Å; V770-L787 HydrophobicContact CB-CD2 4.21Å; V770-L787 HydrophobicContact CG1-CD2 3.87Å; V770-L787 HydrophobicContact CG2-CD2 4.11Å; V770-E807 CarbonylContact O-C 3.32Å; V770-E807 WeakPolarHBondContact O-CA 3.05Å; V770-A808 PolarHBondContact N-O 3.3Å; V770-A808 PolarHBondContact O-N 3.1Å; V770-F810 HydrophobicContact CB-CE2 4.24Å; V770-F810 HydrophobicContact CG2-CD2 4.09Å; V770-F810 HydrophobicContact CG2-CE2 3.89Å; V770-I836 HydrophobicContact CG1-CB 4.26Å; V770-I836 HydrophobicContact CG1-CD1 3.69Å; V770-I836 HydrophobicContact CG1-CG1 3.62Å; V770-I836 HydrophobicContact CG1-CG2 3.68Å; V770-F839 HydrophobicContact CB-CB 4.49Å; V770-F839 HydrophobicContact CG2-CB 4.06Å
771I78.3Confident70.7Confident1 Ų150.2 Ų50.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-110.7134.4175.4-56.2-158.7000109.3I806 E807 I836 D837 T838 Q1614I771-I806 CarbonylContact C-O 3.58Å; I771-I806 WeakPolarHBondContact CA-O 3.49Å; I771-I806 HydrophobicContact CG2-CD1 4.09Å; I771-I806 HydrophobicContact CG2-CG1 4.33Å; I771-E807 HydrophobicContact CD1-CG 3.92Å; I771-E807 WeakPolarHBondContact CD1-OE1 3.27Å; I771-E807 HydrophobicContact CG1-CG 3.9Å; I771-I836 CarbonylContact O-C 3.51Å; I771-I836 WeakPolarHBondContact O-CA 3.19Å; I771-I836 WeakPolarHBondContact O-CG2 3.4Å; I771-D837 HydrophobicContact CB-CB 4.35Å; I771-D837 HydrophobicContact CG2-CB 3.99Å; I771-D837 PolarHBondContact O-N 3.36Å; I771-T838 PolarHBondContact N-O 2.76Å; I771-T838 PolarHBondContact O-N 3.38Å; I771-Q1614 HydrophobicContact CD1-CB 3.19Å; I771-Q1614 HydrophobicContact CD1-CG 3.52Å; I771-Q1614 HydrophobicContact CG1-CB 4.25Å; I771-Q1614 HydrophobicContact CG1-CG 4.12Å
772F80.8Confident70.8Confident3 Ų348.7 Ų48.71%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-102.1145.4-179.5-60.8-94.9000112.1V770 H774 V775 M780 K783 V784 L787 I806 A808 D835 I836V770-F772 HydrophobicContact CG1-CE2 4.25Å; V770-F772 HydrophobicContact CG1-CZ 4.23Å; F772-H774 PolarHBondContact O-N 2.96Å; F772-V775 HydrophobicContact CB-CG2 3.9Å; F772-M780 HydrophobicContact CB-CE 4.03Å; F772-M780 HydrophobicContact CB-SD 4.21Å; F772-M780 HydrophobicContact CD2-CE 3.13Å; F772-M780 HydrophobicContact CD2-SD 3.93Å; F772-M780 HydrophobicContact CE2-CE 3.71Å; F772-M780 HydrophobicContact CE2-SD 4.46Å; F772-M780 HydrophobicContact CG-CE 3.81Å; F772-M780 HydrophobicContact CG-SD 4.1Å; F772-K783 HydrophobicContact CD1-CD 4.46Å; F772-K783 HydrophobicContact CE1-CB 4.2Å; F772-V784 HydrophobicContact CE2-CG2 3.95Å; F772-V784 HydrophobicContact CZ-CG2 4.15Å; F772-L787 HydrophobicContact CE1-CD2 4.18Å; F772-L787 HydrophobicContact CZ-CD2 3.71Å; F772-I806 PolarHBondContact N-O 3.41Å; F772-A808 HydrophobicContact CE2-CB 3.9Å; F772-D835 CarbonylContact C-O 3.54Å; F772-D835 WeakPolarHBondContact CA-O 3.34Å; F772-I836 HydrophobicContact CD1-CG1 4.43Å; F772-I836 HydrophobicContact CE1-CG1 4.39Å
773N74.1Confident71Confident71 Ų7148.9 Ų48.938%0.3829%0.287SS..SBendtrans-68.3119.9175-82.7-32.3000111.7V775 D835 D837N773-V775 WeakPolarHBondContact O-CG2 3.25Å; N773-V775 PolarHBondContact O-N 2.56Å; N773-D835 PolarHBondContact N-O 2.76Å; N773-D837 WeakPolarHBondContact OD1-CA 3.49Å; N773-D837 WeakPolarHBondContact OD1-CB 3.32Å; N773-D837 PolarHBondContact OD1-OD1 3.06Å
774H58.9Low71.8Confident199 Ų19948.3 Ų48.392%0.92128%0.281SS*.SBendtrans20.867167.3-138.3-68.6000116.7F772F772-H774 PolarHBondContact O-N 2.96Å
775V52.1Low72.6Confident20 Ų2050.7 Ų50.712%0.12129%0.29CS..  trans-97.3133.6-174.9-170.10000111.6F772 N773 S777 S779 M780 K783F772-V775 HydrophobicContact CB-CG2 3.9Å; N773-V775 WeakPolarHBondContact O-CG2 3.25Å; N773-V775 PolarHBondContact O-N 2.56Å; V775-S777 PolarHBondContact O-N 3.09Å; V775-S779 WeakPolarHBondContact CG1-OG 3.44Å; V775-M780 HydrophobicContact CB-SD 4.35Å; V775-M780 HydrophobicContact CG2-SD 4.38Å; V775-K783 HydrophobicContact CG1-CD 4.07Å; V775-K783 HydrophobicContact CG2-CD 4.12Å; V775-K783 VanDerWaalsContact CG2-NZ 3.34Å
776A52.8Low73.1Confident69 Ų6957.8 Ų57.857%0.5731%0.311SS*.  trans-59.2125.6166.300000109.9S778 S779A776-S778 PolarHBondContact O-N 3.21Å; A776-S779 PolarHBondContact O-N 3.26Å; A776-S779 PolarHBondContact O-OG 3.02Å; A776-S779 VanDerWaalsContact O-OG 3.05Å
777S55.1Low73.3Confident112 Ų11256.9 Ų56.978%0.78331%0.308SS*.THydrogen-bonded Turntrans-52.2-24.9-167.2-44.80000115.2V775V775-S777 PolarHBondContact O-N 3.09Å
778S56.2Low73.5Confident105 Ų10555.5 Ų55.573%0.73431%0.305SS*.THydrogen-bonded Turntrans-68.2-31.3177.652.80000114.1A776A776-S778 PolarHBondContact O-N 3.21Å
779S62.7Low73.4Confident46 Ų4658.6 Ų58.632%0.32233%0.33SS..THydrogen-bonded Turntrans-91.9-6.9-176.265.40000114.5V775 A776 K783V775-S779 WeakPolarHBondContact CG1-OG 3.44Å; A776-S779 PolarHBondContact O-N 3.26Å; A776-S779 PolarHBondContact O-OG 3.02Å; A776-S779 VanDerWaalsContact O-OG 3.05Å; S779-K783 PolarHBondContact O-N 3.42Å
780M68Low73.5Confident14 Ų1459.7 Ų59.77%0.06934%0.337CS..Hα-helixtrans-66.7-46.6-174.4-170.665.4166.300113.4F772 V775 T782 K783 V784 G805 I806F772-M780 HydrophobicContact CB-CE 4.03Å; F772-M780 HydrophobicContact CB-SD 4.21Å; F772-M780 HydrophobicContact CD2-CE 3.13Å; F772-M780 HydrophobicContact CD2-SD 3.93Å; F772-M780 HydrophobicContact CE2-CE 3.71Å; F772-M780 HydrophobicContact CE2-SD 4.46Å; F772-M780 HydrophobicContact CG-CE 3.81Å; F772-M780 HydrophobicContact CG-SD 4.1Å; V775-M780 HydrophobicContact CB-SD 4.35Å; V775-M780 HydrophobicContact CG2-SD 4.38Å; M780-T782 VanDerWaalsContact C-N 3.28Å; M780-T782 PolarHBondContact O-N 3.03Å; M780-K783 WeakPolarHBondContact O-CB 3.15Å; M780-K783 PolarHBondContact O-N 2.74Å; M780-V784 HydrophobicContact CE-CG2 4.42Å; M780-V784 HydrophobicContact CG-CG2 4.38Å; M780-V784 WeakPolarHBondContact O-CG2 3.48Å; M780-V784 PolarHBondContact O-N 2.69Å; M780-G805 WeakPolarHBondContact CE-O 3.48Å; M780-G805 WeakPolarHBondContact CG-O 3.47Å; M780-I806 WeakPolarHBondContact CE-O 3.24Å
781S71.2Confident73.6Confident48 Ų4859.7 Ų59.734%0.33634%0.337SS..Hα-helixtrans-55.4-44.2-179.256.10000112.2K783 V784 E785S781-K783 PolarHBondContact O-N 3.26Å; S781-V784 PolarHBondContact O-N 3.22Å; S781-E785 WeakPolarHBondContact O-CG 3.32Å; S781-E785 PolarHBondContact O-N 3.29Å
782T76.9Confident74Confident62 Ų6264.2 Ų64.238%0.3836%0.357SS..Hα-helixtrans-65-38.5176.9-460000112.4M780 R786M780-T782 VanDerWaalsContact C-N 3.28Å; M780-T782 PolarHBondContact O-N 3.03Å; T782-R786 WeakPolarHBondContact O-CB 3.38Å; T782-R786 VanDerWaalsContact O-CG 3.29Å; T782-R786 WeakPolarHBondContact O-CG 3.22Å; T782-R786 PolarHBondContact O-N 3.28Å
783K79.7Confident74.2Confident43 Ų4368 Ų6819%0.18739%0.388CS..Hα-helixtrans-64.2-44.7174.9-72-176.5175.1-166.60111.7F772 V775 S779 M780 S781 R786 L787 D835F772-K783 HydrophobicContact CD1-CD 4.46Å; F772-K783 HydrophobicContact CE1-CB 4.2Å; V775-K783 HydrophobicContact CG1-CD 4.07Å; V775-K783 HydrophobicContact CG2-CD 4.12Å; V775-K783 VanDerWaalsContact CG2-NZ 3.34Å; S779-K783 PolarHBondContact O-N 3.42Å; M780-K783 WeakPolarHBondContact O-CB 3.15Å; M780-K783 PolarHBondContact O-N 2.74Å; S781-K783 PolarHBondContact O-N 3.26Å; K783-R786 PolarHBondContact O-N 3.05Å; K783-L787 WeakPolarHBondContact O-CB 2.98Å; K783-L787 PolarHBondContact O-N 3.13Å; K783-D835 WeakPolarHBondContact CE-OD2 3.18Å; K783-D835 IonicContact NZ-OD2 2.66Å; K783-D835 PolarHBondContact NZ-OD2 2.98Å
784V82.9Confident74.6Confident3 Ų367.4 Ų67.42%0.01838%0.383CS..Hα-helixtrans-63.5-43.2178.8174.70000111.7F772 M780 S781 L787 L788 L800 A808 F810F772-V784 HydrophobicContact CE2-CG2 3.95Å; F772-V784 HydrophobicContact CZ-CG2 4.15Å; M780-V784 HydrophobicContact CE-CG2 4.42Å; M780-V784 HydrophobicContact CG-CG2 4.38Å; M780-V784 WeakPolarHBondContact O-CG2 3.48Å; M780-V784 PolarHBondContact O-N 2.69Å; S781-V784 PolarHBondContact O-N 3.22Å; V784-L787 PolarHBondContact O-N 3.39Å; V784-L788 WeakPolarHBondContact O-CB 3.44Å; V784-L788 PolarHBondContact O-N 3.48Å; V784-L800 HydrophobicContact CG1-CD1 3.53Å; V784-L800 HydrophobicContact CG1-CD2 3.85Å; V784-L800 HydrophobicContact CG1-CG 4.37Å; V784-A808 HydrophobicContact CG1-CB 4.05Å; V784-A808 HydrophobicContact CG2-CB 3.83Å; V784-F810 HydrophobicContact CG1-CE1 4.33Å; V784-F810 HydrophobicContact CG1-CZ 4.19Å
785E83.2Confident75.8Confident130 Ų13058 Ų5861%0.60734%0.34SS*.Hα-helixtrans-65.8-40.6176.9-75.1177.7179.500112.5S781 L788 A789S781-E785 WeakPolarHBondContact O-CG 3.32Å; S781-E785 PolarHBondContact O-N 3.29Å; E785-L788 PolarHBondContact O-N 3.32Å; E785-A789 PolarHBondContact O-N 3.49Å
786R83.5Confident77.2Confident166 Ų16661.9 Ų61.963%0.62637%0.365SS*.Hα-helixtrans-60.5-45.3173.4-76.9176.6-172.3164.23.1111.6T782 K783 A789 Q790T782-R786 WeakPolarHBondContact O-CB 3.38Å; T782-R786 VanDerWaalsContact O-CG 3.29Å; T782-R786 WeakPolarHBondContact O-CG 3.22Å; T782-R786 PolarHBondContact O-N 3.28Å; K783-R786 PolarHBondContact O-N 3.05Å; R786-A789 PolarHBondContact O-N 2.97Å; R786-Q790 WeakPolarHBondContact O-CG 3.34Å; R786-Q790 PolarHBondContact O-N 3.34Å
787L86.4Confident78.5Confident3 Ų364.6 Ų64.62%0.01637%0.37CS..Hα-helixtrans-65.3-41.9177.7-174.760.9000111.5V770 F772 K783 V784 A789 Q790 I791 F810 L827 L834 I836V770-L787 HydrophobicContact CB-CD2 4.21Å; V770-L787 HydrophobicContact CG1-CD2 3.87Å; V770-L787 HydrophobicContact CG2-CD2 4.11Å; F772-L787 HydrophobicContact CE1-CD2 4.18Å; F772-L787 HydrophobicContact CZ-CD2 3.71Å; K783-L787 WeakPolarHBondContact O-CB 2.98Å; K783-L787 PolarHBondContact O-N 3.13Å; V784-L787 PolarHBondContact O-N 3.39Å; L787-A789 VanDerWaalsContact C-N 3.3Å; L787-A789 PolarHBondContact O-N 3.46Å; L787-Q790 PolarHBondContact O-N 3.31Å; L787-Q790 VanDerWaalsContact O-N 3.15Å; L787-I791 HydrophobicContact CD1-CD1 4.38Å; L787-I791 HydrophobicContact CD1-CG1 4.41Å; L787-I791 HydrophobicContact CD2-CD1 4.48Å; L787-I791 HydrophobicContact CG-CD1 3.86Å; L787-I791 HydrophobicContact CG-CG1 4.35Å; L787-I791 VanDerWaalsContact O-CG1 3.28Å; L787-I791 WeakPolarHBondContact O-CG1 3.23Å; L787-I791 PolarHBondContact O-N 2.73Å; L787-F810 HydrophobicContact CB-CZ 4.15Å; L787-F810 HydrophobicContact CD2-CE2 3.62Å; L787-F810 HydrophobicContact CD2-CZ 3.71Å; L787-F810 HydrophobicContact CG-CE2 4.15Å; L787-F810 HydrophobicContact CG-CZ 3.9Å; L787-L827 HydrophobicContact CD1-CD2 4Å; L787-L834 HydrophobicContact CD1-CD1 4Å; L787-I836 HydrophobicContact CD1-CD1 4.49Å; L787-I836 HydrophobicContact CD2-CD1 4.35Å
788L87.1Confident79.8Confident27 Ų2759.4 Ų59.414%0.14133%0.334CS..Hα-helixtrans-56.9-43.9174.6-178.364.8000111.7V784 E785 Q790 I791 K792 L800 F810V784-L788 WeakPolarHBondContact O-CB 3.44Å; V784-L788 PolarHBondContact O-N 3.48Å; E785-L788 PolarHBondContact O-N 3.32Å; L788-Q790 VanDerWaalsContact C-N 3.31Å; L788-Q790 PolarHBondContact O-N 2.72Å; L788-I791 PolarHBondContact O-N 3.33Å; L788-K792 HydrophobicContact CG-CD 4.42Å; L788-K792 WeakPolarHBondContact O-CB 3.44Å; L788-K792 WeakPolarHBondContact O-CG 3.31Å; L788-K792 PolarHBondContact O-N 2.96Å; L788-L800 HydrophobicContact CD1-CB 4.26Å; L788-L800 HydrophobicContact CD2-CB 4.04Å; L788-F810 HydrophobicContact CB-CD1 4.44Å; L788-F810 HydrophobicContact CB-CE1 3.87Å; L788-F810 HydrophobicContact CD1-CD1 3.75Å; L788-F810 HydrophobicContact CD1-CE1 4.06Å
789A84Confident81.1Confident64 Ų6457.1 Ų57.153%0.52932%0.318SS..Hα-helixtrans-62.5-38.8178.400000112E785 R786 L787 K792 A793E785-A789 PolarHBondContact O-N 3.49Å; R786-A789 PolarHBondContact O-N 2.97Å; L787-A789 VanDerWaalsContact C-N 3.3Å; L787-A789 PolarHBondContact O-N 3.46Å; A789-K792 PolarHBondContact O-N 2.96Å; A789-A793 PolarHBondContact O-N 3.21Å
790Q85.7Confident82Confident67 Ų6756.9 Ų56.931%0.31331%0.313SS..Hα-helixtrans-72.5-36.7176.4-69.4176.6-18.100113R786 L787 L788 K792 A793 H794 F826 L834R786-Q790 WeakPolarHBondContact O-CG 3.34Å; R786-Q790 PolarHBondContact O-N 3.34Å; L787-Q790 PolarHBondContact O-N 3.31Å; L787-Q790 VanDerWaalsContact O-N 3.15Å; L788-Q790 VanDerWaalsContact C-N 3.31Å; L788-Q790 PolarHBondContact O-N 2.72Å; Q790-K792 VanDerWaalsContact C-N 3.34Å; Q790-A793 WeakPolarHBondContact O-CB 3.34Å; Q790-A793 PolarHBondContact O-N 3.21Å; Q790-H794 PolarHBondContact O-ND1 3.12Å; Q790-F826 HydrophobicContact CB-CE1 4.06Å; Q790-F826 HydrophobicContact CB-CZ 3.9Å; Q790-F826 HydrophobicContact CG-CZ 4.22Å; Q790-L834 VanDerWaalsContact OE1-CD2 3.28Å
791I86.7Confident82.2Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-64-43.3172.5-67.1166.4000109.7L768 L787 L788 A793 H794 V795 A798 F810 L812 L823L768-I791 HydrophobicContact CD2-CD1 3.87Å; L768-I791 HydrophobicContact CD2-CG1 4.37Å; L787-I791 HydrophobicContact CD1-CD1 4.38Å; L787-I791 HydrophobicContact CD1-CG1 4.41Å; L787-I791 HydrophobicContact CD2-CD1 4.48Å; L787-I791 HydrophobicContact CG-CD1 3.86Å; L787-I791 HydrophobicContact CG-CG1 4.35Å; L787-I791 VanDerWaalsContact O-CG1 3.28Å; L787-I791 WeakPolarHBondContact O-CG1 3.23Å; L787-I791 PolarHBondContact O-N 2.73Å; L788-I791 PolarHBondContact O-N 3.33Å; I791-A793 PolarHBondContact O-N 3.43Å; I791-H794 PolarHBondContact O-N 3.21Å; I791-V795 PolarHBondContact O-N 3.09Å; I791-A798 HydrophobicContact CG2-CB 3.65Å; I791-F810 HydrophobicContact CD1-CB 4.1Å; I791-F810 HydrophobicContact CD1-CD1 3.61Å; I791-F810 HydrophobicContact CD1-CD2 3.49Å; I791-F810 VanDerWaalsContact CD1-CD2 3.49Å; I791-F810 HydrophobicContact CD1-CE1 3.81Å; I791-F810 HydrophobicContact CD1-CE2 3.71Å; I791-F810 HydrophobicContact CD1-CG 3.44Å; I791-F810 VanDerWaalsContact CD1-CG 3.44Å; I791-F810 HydrophobicContact CD1-CZ 3.87Å; I791-L812 HydrophobicContact CG2-CD2 3.62Å; I791-L823 HydrophobicContact CB-CD1 4.41Å; I791-L823 HydrophobicContact CG1-CD1 4.12Å; I791-L823 HydrophobicContact CG2-CD1 4.29Å; I791-L823 HydrophobicContact CG2-CD2 4.36Å
792K86.7Confident82.1Confident97 Ų9758.8 Ų58.842%0.42233%0.333SS..Hα-helixtrans-59.6-26.2176.3-80.8-177.5174.5-174.70113.8L788 A789 Q790 H794 V795 P796 A798L788-K792 HydrophobicContact CG-CD 4.42Å; L788-K792 WeakPolarHBondContact O-CB 3.44Å; L788-K792 WeakPolarHBondContact O-CG 3.31Å; L788-K792 PolarHBondContact O-N 2.96Å; A789-K792 PolarHBondContact O-N 2.96Å; Q790-K792 VanDerWaalsContact C-N 3.34Å; K792-H794 VanDerWaalsContact C-N 3.32Å; K792-V795 VanDerWaalsContact CA-O 3.3Å; K792-V795 WeakPolarHBondContact CA-O 3.41Å; K792-V795 CarbonylContact O-C 3.35Å; K792-P796 VanDerWaalsContact O-CA 3.3Å; K792-P796 WeakPolarHBondContact O-CA 2.97Å; K792-A798 WeakPolarHBondContact CE-O 3.3Å; K792-A798 HydrophobicContact CG-CB 4.23Å
793A83.7Confident81.5Confident82 Ų8257.2 Ų57.268%0.67833%0.325SS*.Hα-helixtrans-67.6-32.6175.600000112.8A789 Q790 I791A789-A793 PolarHBondContact O-N 3.21Å; Q790-A793 WeakPolarHBondContact O-CB 3.34Å; Q790-A793 PolarHBondContact O-N 3.21Å; I791-A793 PolarHBondContact O-N 3.43Å
794H84.2Confident80.6Confident58 Ų5857.1 Ų57.127%0.26933%0.33SS..Hα-helixtrans-91.2-33.7176.4-60.383.6000111.5Q790 I791 K792 L823 F826Q790-H794 PolarHBondContact O-ND1 3.12Å; I791-H794 PolarHBondContact O-N 3.21Å; K792-H794 VanDerWaalsContact C-N 3.32Å; H794-L823 HydrophobicContact CB-CB 4.11Å; H794-L823 HydrophobicContact CB-CD1 4.13Å; H794-F826 AromaticContact CE1-CD1 3.93Å; H794-F826 AromaticContact CE1-CD2 3.84Å; H794-F826 AromaticContact CE1-CG 3.57Å; H794-F826 AromaticContact NE2-CG 3.96Å
795V84.1Confident79.6Confident3 Ų359.8 Ų59.82%0.01836%0.357CS..SBendtrans-131.193.2-176.7178.10000109.5I791 K792 N797 A798 L812 I815 L823I791-V795 PolarHBondContact O-N 3.09Å; K792-V795 VanDerWaalsContact CA-O 3.3Å; K792-V795 WeakPolarHBondContact CA-O 3.41Å; K792-V795 CarbonylContact O-C 3.35Å; V795-N797 VanDerWaalsContact C-N 3.26Å; V795-N797 PolarHBondContact O-N 2.93Å; V795-N797 VanDerWaalsContact O-N 3.12Å; V795-A798 HydrophobicContact CB-CB 4.1Å; V795-A798 HydrophobicContact CG1-CB 3.91Å; V795-A798 VanDerWaalsContact O-CB 3.23Å; V795-A798 WeakPolarHBondContact O-CB 3.31Å; V795-A798 PolarHBondContact O-N 3.26Å; V795-L812 HydrophobicContact CB-CD2 4.3Å; V795-L812 HydrophobicContact CG1-CD2 4.16Å; V795-L812 HydrophobicContact CG2-CD2 4.38Å; V795-I815 HydrophobicContact CB-CD1 4.16Å; V795-I815 HydrophobicContact CG1-CD1 3.18Å; V795-I815 HydrophobicContact CG1-CG1 4.12Å; V795-I815 HydrophobicContact CG2-CD1 3.83Å; V795-L823 HydrophobicContact CG2-CD2 4.22Å
796P79.7Confident78.9Confident100 Ų10056.7 Ų56.765%0.64935%0.345SS*.THydrogen-bonded Turntrans-60.1-32.5-168.519.2-31.1000114.3K792 A798K792-P796 VanDerWaalsContact O-CA 3.3Å; K792-P796 WeakPolarHBondContact O-CA 2.97Å; P796-A798 VanDerWaalsContact C-N 3.34Å
797N81Confident78.3Confident126 Ų12649.9 Ų49.967%0.67432%0.32SS*.THydrogen-bonded Turntrans-93.414.5-179.1-66.2-21.3000113.2V795 P813V795-N797 VanDerWaalsContact C-N 3.26Å; V795-N797 PolarHBondContact O-N 2.93Å; V795-N797 VanDerWaalsContact O-N 3.12Å; N797-P813 HydrophobicContact CB-CB 4.43Å; N797-P813 HydrophobicContact CB-CG 3.34Å; N797-P813 WeakPolarHBondContact O-CD 3.08Å; N797-P813 WeakPolarHBondContact O-CG 3.36Å
798A83.4Confident77.9Confident3 Ų349.9 Ų49.93%0.02532%0.32CS..  trans-65.4138.6175.600000111.5I791 K792 V795 P796 V811 L812I791-A798 HydrophobicContact CG2-CB 3.65Å; K792-A798 WeakPolarHBondContact CE-O 3.3Å; K792-A798 HydrophobicContact CG-CB 4.23Å; V795-A798 HydrophobicContact CB-CB 4.1Å; V795-A798 HydrophobicContact CG1-CB 3.91Å; V795-A798 VanDerWaalsContact O-CB 3.23Å; V795-A798 WeakPolarHBondContact O-CB 3.31Å; V795-A798 PolarHBondContact O-N 3.26Å; P796-A798 VanDerWaalsContact C-N 3.34Å; A798-V811 WeakPolarHBondContact CA-O 3.35Å; A798-L812 HydrophobicContact CB-CD2 3.8Å
799S82.9Confident77.6Confident58 Ų5849.4 Ų49.441%0.40632%0.318SS..EExtended strand (participates in β ladder)trans-127.6152.6177.8600000111.6F810 V811S799-F810 CarbonylContact O-C 3.58Å; S799-F810 WeakPolarHBondContact O-CA 3.26Å; S799-V811 PolarHBondContact N-O 3.1Å; S799-V811 PolarHBondContact O-N 2.93Å
800L80.4Confident77.7Confident41 Ų4146.4 Ų46.422%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-79.4119.9170.9-178.968.2000108.4V784 L788 F810V784-L800 HydrophobicContact CG1-CD1 3.53Å; V784-L800 HydrophobicContact CG1-CD2 3.85Å; V784-L800 HydrophobicContact CG1-CG 4.37Å; L788-L800 HydrophobicContact CD1-CB 4.26Å; L788-L800 HydrophobicContact CD2-CB 4.04Å; L800-F810 HydrophobicContact CD1-CD1 3.92Å; L800-F810 HydrophobicContact CD1-CE1 3.68Å; L800-F810 HydrophobicContact CD1-CZ 4.29Å
801G73Confident77.5Confident35 Ų3544.3 Ų44.336%0.36128%0.284SS..EExtended strand (participates in β ladder)trans-80.3-63.8176.100000111.9L809G801-L809 WeakPolarHBondContact CA-O 3.31Å; G801-L809 PolarHBondContact N-O 2.95Å
802S68.3Low77.4Confident66 Ų6644.3 Ų44.346%0.46228%0.284SS..EExtended strand (participates in β ladder)trans-151.9159.8178.562.80000111.8L809S802-L809 PolarHBondContact N-O 3.46Å; S802-L809 PolarHBondContact O-N 3.22Å
803S65.9Low77Confident29 Ų2941.1 Ų41.120%0.20327%0.274CS..EExtended strand (participates in β ladder)trans-141.5127.3170.968.50000110.7E807 L868S803-E807 CarbonylContact C-O 3.54Å; S803-E807 VanDerWaalsContact CA-O 3.29Å; S803-E807 WeakPolarHBondContact CA-O 3.47Å; S803-L868 WeakPolarHBondContact OG-CD1 3.49Å
804S59Low76.2Confident42 Ų4242.1 Ų42.129%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-134.6117.1-177.4-177.70000110.6I806 E807 R1576S804-I806 PolarHBondContact O-N 3.31Å; S804-E807 PolarHBondContact N-O 2.88Å; S804-E807 PolarHBondContact O-N 3.26Å; S804-R1576 PolarHBondContact OG-NH1 3.28Å; S804-R1576 PolarHBondContact OG-NH2 3.14Å
805G63.3Low75.5Confident58 Ų5840.9 Ų40.960%0.59827%0.271SS*.THydrogen-bonded Turntrans61.7-98.4174.400000113.1M780M780-G805 WeakPolarHBondContact CE-O 3.48Å; M780-G805 WeakPolarHBondContact CG-O 3.47Å
806I68.4Low74.8Confident66 Ų6648.8 Ų48.834%0.33831%0.305SS..THydrogen-bonded Turntrans-108.23.8179.257.2170.9000113.1I771 F772 M780 S804I771-I806 CarbonylContact C-O 3.58Å; I771-I806 WeakPolarHBondContact CA-O 3.49Å; I771-I806 HydrophobicContact CG2-CD1 4.09Å; I771-I806 HydrophobicContact CG2-CG1 4.33Å; F772-I806 PolarHBondContact N-O 3.41Å; M780-I806 WeakPolarHBondContact CE-O 3.24Å; S804-I806 PolarHBondContact O-N 3.31Å
807E69.9Low74.3Confident23 Ų2344.3 Ų44.311%0.10728%0.276CS..EExtended strand (participates in β ladder)trans-117.3144.9-176.8-51.2-165.9173.700112.4R769 V770 I771 S803 S804R769-E807 IonicContact CZ-OE2 3.64Å; R769-E807 IonicContact NH1-OE2 3.64Å; R769-E807 PolarHBondContact NH1-OE2 3.44Å; V770-E807 CarbonylContact O-C 3.32Å; V770-E807 WeakPolarHBondContact O-CA 3.05Å; I771-E807 HydrophobicContact CD1-CG 3.92Å; I771-E807 WeakPolarHBondContact CD1-OE1 3.27Å; I771-E807 HydrophobicContact CG1-CG 3.9Å; S803-E807 CarbonylContact C-O 3.54Å; S803-E807 VanDerWaalsContact CA-O 3.29Å; S803-E807 WeakPolarHBondContact CA-O 3.47Å; S804-E807 PolarHBondContact N-O 2.88Å; S804-E807 PolarHBondContact O-N 3.26Å
808A79.5Confident74.1Confident2 Ų241.4 Ų41.42%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-132.2140.8170.600000111.7R769 V770 F772 V784 F810R769-A808 CarbonylContact C-O 3.51Å; R769-A808 WeakPolarHBondContact CA-O 3.4Å; V770-A808 PolarHBondContact N-O 3.3Å; V770-A808 PolarHBondContact O-N 3.1Å; F772-A808 HydrophobicContact CE2-CB 3.9Å; V784-A808 HydrophobicContact CG1-CB 4.05Å; V784-A808 HydrophobicContact CG2-CB 3.83Å; A808-F810 HydrophobicContact CB-CE2 3.87Å; A808-F810 HydrophobicContact CB-CZ 3.98Å
809L80.1Confident73.9Confident18 Ų1845 Ų459%0.09428%0.284CS..EExtended strand (participates in β ladder)trans-116.7120.9179.5-177.372000109.9R767 R769 G801 S802R767-L809 HydrophobicContact CB-CD1 4.06Å; R769-L809 HydrophobicContact CB-CD1 4.18Å; G801-L809 WeakPolarHBondContact CA-O 3.31Å; G801-L809 PolarHBondContact N-O 2.95Å; S802-L809 PolarHBondContact N-O 3.46Å; S802-L809 PolarHBondContact O-N 3.22Å
810F85.3Confident73.9Confident0 Ų042.3 Ų42.30%026%0.264CS..EExtended strand (participates in β ladder)trans-108.8134.3176.9-55.3-84.1000110.1R767 L768 V770 V784 L787 L788 I791 S799 L800 A808R767-F810 CarbonylContact C-O 3.53Å; R767-F810 VanDerWaalsContact CA-O 3.3Å; R767-F810 WeakPolarHBondContact CA-O 3.29Å; L768-F810 HydrophobicContact CB-CB 4.3Å; L768-F810 HydrophobicContact CD2-CD2 4.4Å; L768-F810 PolarHBondContact N-O 3.36Å; L768-F810 PolarHBondContact O-N 2.96Å; V770-F810 HydrophobicContact CB-CE2 4.24Å; V770-F810 HydrophobicContact CG2-CD2 4.09Å; V770-F810 HydrophobicContact CG2-CE2 3.89Å; V784-F810 HydrophobicContact CG1-CE1 4.33Å; V784-F810 HydrophobicContact CG1-CZ 4.19Å; L787-F810 HydrophobicContact CB-CZ 4.15Å; L787-F810 HydrophobicContact CD2-CE2 3.62Å; L787-F810 HydrophobicContact CD2-CZ 3.71Å; L787-F810 HydrophobicContact CG-CE2 4.15Å; L787-F810 HydrophobicContact CG-CZ 3.9Å; L788-F810 HydrophobicContact CB-CD1 4.44Å; L788-F810 HydrophobicContact CB-CE1 3.87Å; L788-F810 HydrophobicContact CD1-CD1 3.75Å; L788-F810 HydrophobicContact CD1-CE1 4.06Å; I791-F810 HydrophobicContact CD1-CB 4.1Å; I791-F810 HydrophobicContact CD1-CD1 3.61Å; I791-F810 HydrophobicContact CD1-CD2 3.49Å; I791-F810 VanDerWaalsContact CD1-CD2 3.49Å; I791-F810 HydrophobicContact CD1-CE1 3.81Å; I791-F810 HydrophobicContact CD1-CE2 3.71Å; I791-F810 HydrophobicContact CD1-CG 3.44Å; I791-F810 VanDerWaalsContact CD1-CG 3.44Å; I791-F810 HydrophobicContact CD1-CZ 3.87Å; S799-F810 CarbonylContact O-C 3.58Å; S799-F810 WeakPolarHBondContact O-CA 3.26Å; L800-F810 HydrophobicContact CD1-CD1 3.92Å; L800-F810 HydrophobicContact CD1-CE1 3.68Å; L800-F810 HydrophobicContact CD1-CZ 4.29Å; A808-F810 HydrophobicContact CB-CE2 3.87Å; A808-F810 HydrophobicContact CB-CZ 3.98Å
811V82.5Confident74.2Confident24 Ų2442.7 Ų42.715%0.14527%0.265CS..EExtended strand (participates in β ladder)trans-97.3121.2175.5-177.80000108.3A798 S799A798-V811 WeakPolarHBondContact CA-O 3.35Å; S799-V811 PolarHBondContact N-O 3.1Å; S799-V811 PolarHBondContact O-N 2.93Å
812L84.6Confident74.8Confident0 Ų043.1 Ų43.10%026%0.263CS..EExtended strand (participates in β ladder)trans-108.4113.1179.6-54178.2000107.8D764 G765 Y766 L768 I791 V795 A798 I815 L820 L823 L841D764-L812 CarbonylContact O-C 3.56Å; G765-L812 CarbonylContact C-O 3.54Å; G765-L812 WeakPolarHBondContact CA-O 3.38Å; Y766-L812 PolarHBondContact N-O 2.62Å; Y766-L812 WeakPolarHBondContact O-CA 3.27Å; Y766-L812 PolarHBondContact O-N 2.6Å; L768-L812 HydrophobicContact CB-CD1 3.97Å; L768-L812 HydrophobicContact CB-CG 4.39Å; I791-L812 HydrophobicContact CG2-CD2 3.62Å; V795-L812 HydrophobicContact CB-CD2 4.3Å; V795-L812 HydrophobicContact CG1-CD2 4.16Å; V795-L812 HydrophobicContact CG2-CD2 4.38Å; A798-L812 HydrophobicContact CB-CD2 3.8Å; L812-I815 HydrophobicContact CB-CD1 3.83Å; L812-L820 HydrophobicContact CD1-CD2 3.88Å; L812-L823 HydrophobicContact CD1-CD2 3.66Å; L812-L823 HydrophobicContact CD2-CD2 4.16Å; L812-L841 HydrophobicContact CD1-CD1 4.23Å
813P77.3Confident75.7Confident30 Ų3040 Ų4020%0.19524%0.241CC..  trans-52.2171.5179.33.5-12.5000114.2D764 N797 I815D764-P813 CarbonylContact O-C 3.48Å; D764-P813 WeakPolarHBondContact O-CA 3.21Å; N797-P813 HydrophobicContact CB-CB 4.43Å; N797-P813 HydrophobicContact CB-CG 3.34Å; N797-P813 WeakPolarHBondContact O-CD 3.08Å; N797-P813 WeakPolarHBondContact O-CG 3.36Å; P813-I815 WeakPolarHBondContact O-CD1 3.37Å; P813-I815 WeakPolarHBondContact O-CG1 3.34Å; P813-I815 PolarHBondContact O-N 3.39Å
814S68.5Low76.7Confident103 Ų10338.6 Ų38.672%0.7223%0.231SC*.SBendtrans-59.5105.4176-175.30000110
815I67.8Low78.1Confident32 Ų3241.7 Ų41.716%0.16424%0.244CC..  trans-124147.8-172.4-65.3145.7000107.7V795 L812 P813 D819 L820V795-I815 HydrophobicContact CB-CD1 4.16Å; V795-I815 HydrophobicContact CG1-CD1 3.18Å; V795-I815 HydrophobicContact CG1-CG1 4.12Å; V795-I815 HydrophobicContact CG2-CD1 3.83Å; L812-I815 HydrophobicContact CB-CD1 3.83Å; P813-I815 WeakPolarHBondContact O-CD1 3.37Å; P813-I815 WeakPolarHBondContact O-CG1 3.34Å; P813-I815 PolarHBondContact O-N 3.39Å; I815-D819 HydrophobicContact CG2-CB 3.43Å; I815-D819 VanDerWaalsContact CG2-CB 3.43Å; I815-L820 HydrophobicContact CG2-CG 4.28Å
816K69.4Low79.2Confident169 Ų16940.3 Ų40.374%0.73522%0.221SC*.  trans-77.1152.9177-62.8-177.8179.4179.10110.2P818 D819K816-P818 VanDerWaalsContact C-N 3.31Å; K816-P818 WeakPolarHBondContact O-CD 3.44Å; K816-P818 VanDerWaalsContact O-N 3.08Å; K816-D819 PolarHBondContact O-N 3.03Å
817G70.1Confident80.1Confident5 Ų537.2 Ų37.25%0.05221%0.205CC..Hα-helixtrans-49.7-34-175.500000117.5D819 L820 Q821 E1679G817-D819 PolarHBondContact O-N 3.5Å; G817-L820 PolarHBondContact O-N 3.45Å; G817-Q821 PolarHBondContact O-N 3.4Å; G817-E1679 WeakPolarHBondContact CA-OE1 3.45Å; G817-E1679 PolarHBondContact N-OE1 3.43Å; G817-E1679 VanDerWaalsContact N-OE1 3.08Å
818P76.5Confident81Confident65 Ų6538.5 Ų38.542%0.42221%0.211SC..Hα-helixtrans-63.8-39.3-177.6-24.334.5000114.8K816 L820 Q821 S822 E1679K816-P818 VanDerWaalsContact C-N 3.31Å; K816-P818 WeakPolarHBondContact O-CD 3.44Å; K816-P818 VanDerWaalsContact O-N 3.08Å; P818-L820 VanDerWaalsContact C-N 3.32Å; P818-Q821 WeakPolarHBondContact O-CB 3.32Å; P818-Q821 PolarHBondContact O-N 3Å; P818-S822 PolarHBondContact O-N 3.49Å; P818-E1679 HydrophobicContact CG-CG 4.45Å
819D80.2Confident81.3Confident80 Ų8044.3 Ų44.343%0.42824%0.242SC..Hα-helixtrans-71.2-34.3179.9-58.3-36.3000110.3I815 K816 G817 S822 L823I815-D819 HydrophobicContact CG2-CB 3.43Å; I815-D819 VanDerWaalsContact CG2-CB 3.43Å; K816-D819 PolarHBondContact O-N 3.03Å; G817-D819 PolarHBondContact O-N 3.5Å; D819-S822 PolarHBondContact O-N 2.77Å; D819-S822 PolarHBondContact O-OG 3.2Å; D819-L823 PolarHBondContact O-N 2.78Å; D819-L823 VanDerWaalsContact O-N 3.1Å
820L82.8Confident81.5Confident1 Ų146.7 Ų46.71%0.00525%0.252CS..Hα-helixtrans-66.1-42.3173-70.4168.7000111.5Y766 L812 I815 G817 P818 S822 L823 F824 F1675Y766-L820 HydrophobicContact CD2-CD1 3.48Å; Y766-L820 VanDerWaalsContact CD2-CD1 3.48Å; Y766-L820 HydrophobicContact CD2-CD2 4.32Å; Y766-L820 HydrophobicContact CE2-CD1 3.33Å; Y766-L820 HydrophobicContact CG-CD1 4.39Å; L812-L820 HydrophobicContact CD1-CD2 3.88Å; I815-L820 HydrophobicContact CG2-CG 4.28Å; G817-L820 PolarHBondContact O-N 3.45Å; P818-L820 VanDerWaalsContact C-N 3.32Å; L820-S822 VanDerWaalsContact C-N 3.3Å; L820-S822 PolarHBondContact O-N 3.27Å; L820-L823 PolarHBondContact O-N 2.96Å; L820-F824 WeakPolarHBondContact O-CD2 3.41Å; L820-F824 PolarHBondContact O-N 2.79Å; L820-F1675 HydrophobicContact CB-CD1 4.29Å; L820-F1675 HydrophobicContact CB-CD2 4.3Å; L820-F1675 HydrophobicContact CB-CE1 4.28Å; L820-F1675 HydrophobicContact CB-CE2 4.3Å; L820-F1675 HydrophobicContact CB-CG 4.31Å; L820-F1675 HydrophobicContact CB-CZ 4.3Å; L820-F1675 HydrophobicContact CD1-CD1 4.4Å; L820-F1675 HydrophobicContact CD1-CE1 3.79Å; L820-F1675 HydrophobicContact CD1-CZ 4.02Å
821Q85.2Confident81.5Confident48 Ų4849.3 Ų49.322%0.22426%0.264CS..Hα-helixtrans-54.5-48.2172.9176.3-171.4500110.8G817 P818 L823 F824 L825 F1675 E1676G817-Q821 PolarHBondContact O-N 3.4Å; P818-Q821 WeakPolarHBondContact O-CB 3.32Å; P818-Q821 PolarHBondContact O-N 3Å; Q821-L823 PolarHBondContact O-N 3.42Å; Q821-F824 PolarHBondContact O-N 2.84Å; Q821-L825 WeakPolarHBondContact O-CB 3.43Å; Q821-L825 PolarHBondContact O-N 2.68Å; Q821-F1675 HydrophobicContact CB-CB 3.99Å; Q821-E1676 HydrophobicContact CG-CB 4.39Å; Q821-E1676 VanDerWaalsContact NE2-CB 3.32Å; Q821-E1676 VanDerWaalsContact NE2-CG 3.31Å
822S85.4Confident81.3Confident45 Ų4554.7 Ų54.732%0.31529%0.292SS..Hα-helixtrans-61.7-41.2-180780000112.9P818 D819 L820 F826P818-S822 PolarHBondContact O-N 3.49Å; D819-S822 PolarHBondContact O-N 2.77Å; D819-S822 PolarHBondContact O-OG 3.2Å; L820-S822 VanDerWaalsContact C-N 3.3Å; L820-S822 PolarHBondContact O-N 3.27Å; S822-F826 PolarHBondContact O-N 3.3Å; S822-F826 VanDerWaalsContact O-N 3.17Å
823L87.2Confident81.1Confident0 Ų061.7 Ų61.70%033%0.325CS..Hα-helixtrans-64.7-44.5177.1175.463.7000111.7L768 I791 H794 V795 L812 D819 L820 Q821 F826 L827L768-L823 HydrophobicContact CD2-CD2 4.28Å; I791-L823 HydrophobicContact CB-CD1 4.41Å; I791-L823 HydrophobicContact CG1-CD1 4.12Å; I791-L823 HydrophobicContact CG2-CD1 4.29Å; I791-L823 HydrophobicContact CG2-CD2 4.36Å; H794-L823 HydrophobicContact CB-CB 4.11Å; H794-L823 HydrophobicContact CB-CD1 4.13Å; V795-L823 HydrophobicContact CG2-CD2 4.22Å; L812-L823 HydrophobicContact CD1-CD2 3.66Å; L812-L823 HydrophobicContact CD2-CD2 4.16Å; D819-L823 PolarHBondContact O-N 2.78Å; D819-L823 VanDerWaalsContact O-N 3.1Å; L820-L823 PolarHBondContact O-N 2.96Å; Q821-L823 PolarHBondContact O-N 3.42Å; L823-F826 WeakPolarHBondContact O-CB 3.16Å; L823-F826 PolarHBondContact O-N 2.91Å; L823-L827 HydrophobicContact CD1-CD1 4.22Å; L823-L827 HydrophobicContact CD1-CG 4.38Å; L823-L827 HydrophobicContact CG-CD1 4.11Å; L823-L827 WeakPolarHBondContact O-CG 3.45Å; L823-L827 PolarHBondContact O-N 3.48Å
824F87.8Confident81.3Confident0 Ų061.8 Ų61.80%032%0.324CS..Hα-helixtrans-69.9-37.9-179.7-83.2-66.6000112.7L768 L820 Q821 F826 L827 E828 F839 L841 W1671 F1675L768-F824 HydrophobicContact CD1-CE1 3.83Å; L768-F824 HydrophobicContact CD1-CZ 3.97Å; L820-F824 WeakPolarHBondContact O-CD2 3.41Å; L820-F824 PolarHBondContact O-N 2.79Å; Q821-F824 PolarHBondContact O-N 2.84Å; F824-F826 VanDerWaalsContact C-N 3.27Å; F824-F826 PolarHBondContact O-N 2.97Å; F824-L827 HydrophobicContact CD1-CD1 4.41Å; F824-L827 PolarHBondContact O-N 2.84Å; F824-E828 WeakPolarHBondContact O-CB 3.36Å; F824-E828 WeakPolarHBondContact O-CG 3.49Å; F824-E828 PolarHBondContact O-N 3.06Å; F824-F839 HydrophobicContact CD1-CD2 4.15Å; F824-F839 AromaticContact CD1-CE2 3.7Å; F824-F839 HydrophobicContact CD1-CE2 3.7Å; F824-F839 AromaticContact CE1-CD2 3.89Å; F824-F839 HydrophobicContact CE1-CD2 3.89Å; F824-F839 AromaticContact CE1-CE2 3.9Å; F824-F839 HydrophobicContact CE1-CE2 3.9Å; F824-L841 HydrophobicContact CE2-CB 4.47Å; F824-L841 HydrophobicContact CE2-CD1 3.88Å; F824-L841 HydrophobicContact CE2-CD2 3.96Å; F824-L841 HydrophobicContact CE2-CG 4.32Å; F824-L841 HydrophobicContact CZ-CB 3.83Å; F824-L841 HydrophobicContact CZ-CD1 3.53Å; F824-L841 HydrophobicContact CZ-CD2 4.14Å; F824-L841 HydrophobicContact CZ-CG 4.03Å; F824-W1671 HydrophobicContact CB-CB 3.75Å; F824-W1671 HydrophobicContact CD1-CB 3.41Å; F824-W1671 VanDerWaalsContact CD1-CB 3.41Å; F824-W1671 AromaticContact CD1-CD1 3.99Å; F824-W1671 HydrophobicContact CD1-CD2 4.33Å; F824-W1671 AromaticContact CD1-CG 3.64Å; F824-W1671 HydrophobicContact CD1-CG 3.64Å; F824-W1671 HydrophobicContact CD2-CB 4.02Å; F824-W1671 HydrophobicContact CE1-CB 3.97Å; F824-W1671 AromaticContact CE1-CD1 3.98Å; F824-W1671 AromaticContact CE1-CD2 3.98Å; F824-W1671 HydrophobicContact CE1-CD2 3.98Å; F824-W1671 AromaticContact CE1-CG 3.71Å; F824-W1671 HydrophobicContact CE1-CG 3.71Å; F824-W1671 HydrophobicContact CE2-CE3 4.42Å; F824-W1671 HydrophobicContact CG-CB 3.44Å; F824-W1671 VanDerWaalsContact CG-CB 3.44Å; F824-W1671 HydrophobicContact CG-CG 4.12Å; F824-W1671 HydrophobicContact CZ-CD2 4.13Å; F824-W1671 HydrophobicContact CZ-CE3 4.28Å; F824-W1671 HydrophobicContact CZ-CG 4.27Å; F824-F1675 AromaticContact CD2-CD2 3.94Å; F824-F1675 HydrophobicContact CD2-CD2 3.94Å; F824-F1675 AromaticContact CD2-CE2 3.7Å; F824-F1675 HydrophobicContact CD2-CE2 3.7Å; F824-F1675 HydrophobicContact CE2-CD2 4.33Å; F824-F1675 AromaticContact CE2-CE2 3.62Å; F824-F1675 HydrophobicContact CE2-CE2 3.62Å; F824-F1675 HydrophobicContact CE2-CZ 4.43Å
825L87.5Confident81.8Confident107 Ų10760.2 Ų60.256%0.5631%0.307SS*.Hα-helixtrans-57.5-43.8173-165.597.8000110.9Q821 D829Q821-L825 WeakPolarHBondContact O-CB 3.43Å; Q821-L825 PolarHBondContact O-N 2.68Å; L825-D829 WeakPolarHBondContact O-CB 3.29Å; L825-D829 PolarHBondContact O-N 3.47Å
826F88.2Confident82.4Confident29 Ų2958.7 Ų58.713%0.12730%0.299CS..Hα-helixtrans-63.1-44.4175.7165.6-95.2000113.2Q790 H794 S822 L823 F824 K830 L834Q790-F826 HydrophobicContact CB-CE1 4.06Å; Q790-F826 HydrophobicContact CB-CZ 3.9Å; Q790-F826 HydrophobicContact CG-CZ 4.22Å; H794-F826 AromaticContact CE1-CD1 3.93Å; H794-F826 AromaticContact CE1-CD2 3.84Å; H794-F826 AromaticContact CE1-CG 3.57Å; H794-F826 AromaticContact NE2-CG 3.96Å; S822-F826 PolarHBondContact O-N 3.3Å; S822-F826 VanDerWaalsContact O-N 3.17Å; L823-F826 WeakPolarHBondContact O-CB 3.16Å; L823-F826 PolarHBondContact O-N 2.91Å; F824-F826 VanDerWaalsContact C-N 3.27Å; F824-F826 PolarHBondContact O-N 2.97Å; F826-K830 HydrophobicContact CD2-CD 4.12Å; F826-K830 HydrophobicContact CD2-CG 4.47Å; F826-K830 HydrophobicContact CE2-CD 3.52Å; F826-K830 HydrophobicContact CE2-CG 4.25Å; F826-K830 HydrophobicContact CZ-CD 4.04Å; F826-K830 PolarHBondContact O-N 3.39Å; F826-K830 VanDerWaalsContact O-N 3.1Å; F826-L834 HydrophobicContact CE1-CD1 4.18Å; F826-L834 HydrophobicContact CZ-CD1 4.34Å
827L86.9Confident82.8Confident0 Ų053.2 Ų53.20%028%0.278CS..Hα-helixtrans-68.9-37.6-179.6-69.9170.8000112.3L768 L787 L823 F824 Q831 L834 I836 F839L768-L827 HydrophobicContact CD1-CD1 3.97Å; L768-L827 HydrophobicContact CD2-CD1 3.54Å; L768-L827 HydrophobicContact CG-CD1 4.38Å; L787-L827 HydrophobicContact CD1-CD2 4Å; L823-L827 HydrophobicContact CD1-CD1 4.22Å; L823-L827 HydrophobicContact CD1-CG 4.38Å; L823-L827 HydrophobicContact CG-CD1 4.11Å; L823-L827 WeakPolarHBondContact O-CG 3.45Å; L823-L827 PolarHBondContact O-N 3.48Å; F824-L827 HydrophobicContact CD1-CD1 4.41Å; F824-L827 PolarHBondContact O-N 2.84Å; L827-Q831 WeakPolarHBondContact O-CA 3.4Å; L827-Q831 WeakPolarHBondContact O-CB 3.29Å; L827-Q831 PolarHBondContact O-N 3.33Å; L827-L834 HydrophobicContact CD2-CD1 4.38Å; L827-I836 HydrophobicContact CD2-CD1 4.32Å; L827-F839 HydrophobicContact CB-CE1 4.3Å; L827-F839 HydrophobicContact CB-CE2 4.41Å; L827-F839 HydrophobicContact CB-CZ 4.22Å
828E87.6Confident83.3Confident50 Ų5054.5 Ų54.523%0.23429%0.285CS..Hα-helixtrans-65.8-45.2176.2-73.1168.7-179.700111.3F824 F839 T1670 W1671 S1672F824-E828 WeakPolarHBondContact O-CB 3.36Å; F824-E828 WeakPolarHBondContact O-CG 3.49Å; F824-E828 PolarHBondContact O-N 3.06Å; E828-F839 HydrophobicContact CG-CE2 4.35Å; E828-F839 HydrophobicContact CG-CZ 3.61Å; E828-T1670 WeakPolarHBondContact OE1-CB 3.28Å; E828-T1670 WeakPolarHBondContact OE2-CB 3.4Å; E828-W1671 WeakPolarHBondContact OE1-CA 3.34Å; E828-W1671 WeakPolarHBondContact OE1-CB 3.48Å; E828-W1671 PolarHBondContact OE1-N 3.5Å; E828-S1672 PolarHBondContact OE1-N 2.84Å; E828-S1672 WeakPolarHBondContact OE2-CB 3.44Å; E828-S1672 PolarHBondContact OE2-OG 3.49Å
829D85.9Confident83.7Confident125 Ų12552.3 Ų52.367%0.66827%0.269SS*.Hα-helixtrans-66.6-37.8179.1-177.864.1000112.9L825L825-D829 WeakPolarHBondContact O-CB 3.29Å; L825-D829 PolarHBondContact O-N 3.47Å
830K85.8Confident83.8Confident68 Ų6848.6 Ų48.630%0.29625%0.249SC..THydrogen-bonded Turntrans-102.813.2-175.8-58.7-158.8-175.3-173.20114.8F826 D832 Q833 L834F826-K830 HydrophobicContact CD2-CD 4.12Å; F826-K830 HydrophobicContact CD2-CG 4.47Å; F826-K830 HydrophobicContact CE2-CD 3.52Å; F826-K830 HydrophobicContact CE2-CG 4.25Å; F826-K830 HydrophobicContact CZ-CD 4.04Å; F826-K830 PolarHBondContact O-N 3.39Å; F826-K830 VanDerWaalsContact O-N 3.1Å; K830-D832 PolarHBondContact O-N 3.41Å; K830-Q833 HydrophobicContact CB-CB 4.48Å; K830-Q833 PolarHBondContact O-N 3.27Å; K830-Q833 VanDerWaalsContact O-N 3.13Å; K830-L834 HydrophobicContact CB-CD1 3.8Å; K830-L834 HydrophobicContact CB-CG 4.04Å; K830-L834 WeakPolarHBondContact O-CB 3.47Å; K830-L834 VanDerWaalsContact O-CG 3.29Å; K830-L834 WeakPolarHBondContact O-CG 3.43Å; K830-L834 PolarHBondContact O-N 3.04Å
831Q83.5Confident83.8Confident55 Ų5548.6 Ų48.626%0.25725%0.249SC..THydrogen-bonded Turntrans-53.5-51.8-173.7-174.5173.8-16.200112.4L827 L834 D835 I836 D837 F839L827-Q831 WeakPolarHBondContact O-CA 3.4Å; L827-Q831 WeakPolarHBondContact O-CB 3.29Å; L827-Q831 PolarHBondContact O-N 3.33Å; Q831-L834 PolarHBondContact O-N 2.88Å; Q831-D835 PolarHBondContact O-N 3.29Å; Q831-I836 HydrophobicContact CG-CB 3.95Å; Q831-I836 HydrophobicContact CG-CG2 4.08Å; Q831-I836 VanDerWaalsContact CG-O 3.27Å; Q831-I836 WeakPolarHBondContact CG-O 3.26Å; Q831-I836 PolarHBondContact NE2-O 3.2Å; Q831-I836 PolarHBondContact O-N 3.47Å; Q831-D837 PolarHBondContact NE2-O 3Å; Q831-F839 HydrophobicContact CG-CD1 4.5Å; Q831-F839 HydrophobicContact CG-CE1 4.22Å
832D78.9Confident83.5Confident137 Ų13748.1 Ų48.173%0.73325%0.251SS*.THydrogen-bonded Turntrans-66.3-38.6179.1-67.7-32.2000112.3K830 L834 D835K830-D832 PolarHBondContact O-N 3.41Å; D832-L834 VanDerWaalsContact C-N 3.31Å; D832-L834 PolarHBondContact O-N 2.93Å; D832-D835 PolarHBondContact O-N 2.92Å
833Q79.7Confident83.1Confident147 Ų14747 Ų4769%0.68724%0.241SC*.THydrogen-bonded Turntrans-68.2-30.3-179.8-63.9178.213.400113K830K830-Q833 HydrophobicContact CB-CB 4.48Å; K830-Q833 PolarHBondContact O-N 3.27Å; K830-Q833 VanDerWaalsContact O-N 3.13Å
834L81.8Confident82.7Confident32 Ų3247.5 Ų47.517%0.16824%0.244CC..THydrogen-bonded Turntrans-86.74.6178.8-65.8170.3000112.3L787 Q790 F826 L827 K830 Q831 D832 I836L787-L834 HydrophobicContact CD1-CD1 4Å; Q790-L834 VanDerWaalsContact OE1-CD2 3.28Å; F826-L834 HydrophobicContact CE1-CD1 4.18Å; F826-L834 HydrophobicContact CZ-CD1 4.34Å; L827-L834 HydrophobicContact CD2-CD1 4.38Å; K830-L834 HydrophobicContact CB-CD1 3.8Å; K830-L834 HydrophobicContact CB-CG 4.04Å; K830-L834 WeakPolarHBondContact O-CB 3.47Å; K830-L834 VanDerWaalsContact O-CG 3.29Å; K830-L834 WeakPolarHBondContact O-CG 3.43Å; K830-L834 PolarHBondContact O-N 3.04Å; Q831-L834 PolarHBondContact O-N 2.88Å; D832-L834 VanDerWaalsContact C-N 3.31Å; D832-L834 PolarHBondContact O-N 2.93Å; L834-I836 HydrophobicContact CB-CD1 3.55Å; L834-I836 HydrophobicContact CB-CG1 3.66Å; L834-I836 HydrophobicContact CD1-CD1 3.81Å; L834-I836 HydrophobicContact CG-CD1 4.33Å; L834-I836 PolarHBondContact O-N 3.17Å
835D78.6Confident82.2Confident69 Ų6949.9 Ų49.937%0.36926%0.258SS..THydrogen-bonded Turntrans51.838.9-171.1-68.1-40.9000111.9F772 N773 K783 Q831 D832F772-D835 CarbonylContact C-O 3.54Å; F772-D835 WeakPolarHBondContact CA-O 3.34Å; N773-D835 PolarHBondContact N-O 2.76Å; K783-D835 WeakPolarHBondContact CE-OD2 3.18Å; K783-D835 IonicContact NZ-OD2 2.66Å; K783-D835 PolarHBondContact NZ-OD2 2.98Å; Q831-D835 PolarHBondContact O-N 3.29Å; D832-D835 PolarHBondContact O-N 2.92Å
836I82.1Confident81.8Confident1 Ų144.9 Ų44.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-90.4116.5-179.9-63.4172000108.8V770 I771 F772 L787 L827 Q831 L834 F839V770-I836 HydrophobicContact CG1-CB 4.26Å; V770-I836 HydrophobicContact CG1-CD1 3.69Å; V770-I836 HydrophobicContact CG1-CG1 3.62Å; V770-I836 HydrophobicContact CG1-CG2 3.68Å; I771-I836 CarbonylContact O-C 3.51Å; I771-I836 WeakPolarHBondContact O-CA 3.19Å; I771-I836 WeakPolarHBondContact O-CG2 3.4Å; F772-I836 HydrophobicContact CD1-CG1 4.43Å; F772-I836 HydrophobicContact CE1-CG1 4.39Å; L787-I836 HydrophobicContact CD1-CD1 4.49Å; L787-I836 HydrophobicContact CD2-CD1 4.35Å; L827-I836 HydrophobicContact CD2-CD1 4.32Å; Q831-I836 HydrophobicContact CG-CB 3.95Å; Q831-I836 HydrophobicContact CG-CG2 4.08Å; Q831-I836 VanDerWaalsContact CG-O 3.27Å; Q831-I836 WeakPolarHBondContact CG-O 3.26Å; Q831-I836 PolarHBondContact NE2-O 3.2Å; Q831-I836 PolarHBondContact O-N 3.47Å; L834-I836 HydrophobicContact CB-CD1 3.55Å; L834-I836 HydrophobicContact CB-CG1 3.66Å; L834-I836 HydrophobicContact CD1-CD1 3.81Å; L834-I836 HydrophobicContact CG-CD1 4.33Å; L834-I836 PolarHBondContact O-N 3.17Å; I836-F839 HydrophobicContact CG2-CB 4.33Å; I836-F839 HydrophobicContact CG2-CD1 3.88Å
837D77.5Confident81.2Confident54 Ų5443.6 Ų43.629%0.28923%0.226SC..EExtended strand (participates in β ladder)trans-65.2-56.3171.3-177.532.6000109.7I771 N773 Q831I771-D837 HydrophobicContact CB-CB 4.35Å; I771-D837 HydrophobicContact CG2-CB 3.99Å; I771-D837 PolarHBondContact O-N 3.36Å; N773-D837 WeakPolarHBondContact OD1-CA 3.49Å; N773-D837 WeakPolarHBondContact OD1-CB 3.32Å; N773-D837 PolarHBondContact OD1-OD1 3.06Å; Q831-D837 PolarHBondContact NE2-O 3Å
838T80.3Confident80.7Confident32 Ų3244.4 Ų44.420%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-152.9156.3179.256.50000111.2I771I771-T838 PolarHBondContact N-O 2.76Å; I771-T838 PolarHBondContact O-N 3.38Å
839F85.7Confident80.3Confident19 Ų1942 Ų428%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-137.9165.2171.559.5-92.3000111.6R769 V770 F824 L827 E828 Q831 I836 W1671 Q1694R769-F839 CarbonylContact O-C 3.54Å; R769-F839 WeakPolarHBondContact O-CA 3.34Å; R769-F839 WeakPolarHBondContact O-CB 3.32Å; V770-F839 HydrophobicContact CB-CB 4.49Å; V770-F839 HydrophobicContact CG2-CB 4.06Å; F824-F839 HydrophobicContact CD1-CD2 4.15Å; F824-F839 AromaticContact CD1-CE2 3.7Å; F824-F839 HydrophobicContact CD1-CE2 3.7Å; F824-F839 AromaticContact CE1-CD2 3.89Å; F824-F839 HydrophobicContact CE1-CD2 3.89Å; F824-F839 AromaticContact CE1-CE2 3.9Å; F824-F839 HydrophobicContact CE1-CE2 3.9Å; L827-F839 HydrophobicContact CB-CE1 4.3Å; L827-F839 HydrophobicContact CB-CE2 4.41Å; L827-F839 HydrophobicContact CB-CZ 4.22Å; E828-F839 HydrophobicContact CG-CE2 4.35Å; E828-F839 HydrophobicContact CG-CZ 3.61Å; Q831-F839 HydrophobicContact CG-CD1 4.5Å; Q831-F839 HydrophobicContact CG-CE1 4.22Å; I836-F839 HydrophobicContact CG2-CB 4.33Å; I836-F839 HydrophobicContact CG2-CD1 3.88Å; F839-W1671 AromaticContact CE2-CD1 3.62Å; F839-W1671 HydrophobicContact CE2-CG 4.49Å; F839-Q1694 PolarHBondContact O-NE2 3.06Å
840G80.9Confident80Confident1 Ų136.1 Ų36.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-163.5152.3-176.300000114.3R769 Q1694R769-G840 PolarHBondContact N-O 2.62Å; R769-G840 PolarHBondContact O-N 2.88Å; G840-Q1694 VanDerWaalsContact CA-CD 3.43Å; G840-Q1694 VanDerWaalsContact CA-NE2 3.28Å
841L84.4Confident79.4Confident1 Ų134 Ų341%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-102.5138175.6-152.970.4000111.8Y766 R767 L768 L812 F824 W1671 F1675 Q1694Y766-L841 HydrophobicContact CD1-CD2 3.4Å; Y766-L841 VanDerWaalsContact CD1-CD2 3.4Å; Y766-L841 HydrophobicContact CD1-CG 3.89Å; Y766-L841 HydrophobicContact CE1-CD2 3.85Å; Y766-L841 HydrophobicContact CG-CD1 4.47Å; Y766-L841 HydrophobicContact CG-CD2 3.88Å; Y766-L841 HydrophobicContact CG-CG 4.29Å; R767-L841 CarbonylContact O-C 3.5Å; R767-L841 WeakPolarHBondContact O-CA 3.25Å; L768-L841 HydrophobicContact CB-CD1 4.27Å; L812-L841 HydrophobicContact CD1-CD1 4.23Å; F824-L841 HydrophobicContact CE2-CB 4.47Å; F824-L841 HydrophobicContact CE2-CD1 3.88Å; F824-L841 HydrophobicContact CE2-CD2 3.96Å; F824-L841 HydrophobicContact CE2-CG 4.32Å; F824-L841 HydrophobicContact CZ-CB 3.83Å; F824-L841 HydrophobicContact CZ-CD1 3.53Å; F824-L841 HydrophobicContact CZ-CD2 4.14Å; F824-L841 HydrophobicContact CZ-CG 4.03Å; L841-W1671 HydrophobicContact CB-CE3 4.18Å; L841-W1671 HydrophobicContact CB-CH2 3.39Å; L841-W1671 HydrophobicContact CB-CZ2 3.91Å; L841-W1671 HydrophobicContact CB-CZ3 3.54Å; L841-W1671 HydrophobicContact CD2-CZ3 4.18Å; L841-F1675 HydrophobicContact CD2-CE2 4.02Å; L841-F1675 HydrophobicContact CD2-CZ 3.57Å; L841-Q1694 PolarHBondContact O-N 3.15Å
842S78.2Confident79Confident38 Ų3836.2 Ų36.227%0.26619%0.185SC..EExtended strand (participates in β ladder)trans-131.1156.3172.956.20000110.7R767R767-S842 WeakPolarHBondContact CB-OG 3.47Å; R767-S842 PolarHBondContact N-O 3.5Å; R767-S842 PolarHBondContact O-N 3.21Å; R767-S842 PolarHBondContact O-OG 3.25Å
843I77.5Confident78.8Confident23 Ų2330.4 Ų30.412%0.11816%0.155CC..EExtended strand (participates in β ladder)trans-99.7156.5-179.7-64.1156.5000109.2Y766 T845 M1691Y766-I843 HydrophobicContact CD1-CG1 4.16Å; Y766-I843 HydrophobicContact CE1-CG1 4.05Å; I843-T845 PolarHBondContact O-N 3.46Å; I843-M1691 HydrophobicContact CB-CE 4.37Å; I843-M1691 HydrophobicContact CD1-CB 3.49Å; I843-M1691 VanDerWaalsContact CD1-CB 3.49Å; I843-M1691 HydrophobicContact CD1-CE 4.37Å; I843-M1691 HydrophobicContact CD1-CG 4.49Å; I843-M1691 HydrophobicContact CD1-SD 4.34Å; I843-M1691 HydrophobicContact CG1-CB 4.27Å; I843-M1691 HydrophobicContact CG1-CE 4.2Å; I843-M1691 HydrophobicContact CG2-CE 3.24Å; I843-M1691 HydrophobicContact CG2-SD 4.09Å
844I77.1Confident78.3Confident9 Ų923.4 Ų23.45%0.04612%0.122CC..PPolyproline II helixtrans-54.6130.5168.8-164.8174.7000111.4K759 G763 E848 V849K759-I844 HydrophobicContact CB-CG2 4.1Å; K759-I844 WeakPolarHBondContact CE-O 3.44Å; K759-I844 HydrophobicContact CG-CG2 4.11Å; G763-I844 VanDerWaalsContact CA-CD1 3.41Å; I844-E848 HydrophobicContact CD1-CB 4.03Å; I844-E848 HydrophobicContact CG1-CB 3.75Å; I844-E848 VanDerWaalsContact CG1-OE2 3.29Å; I844-E848 WeakPolarHBondContact CG1-OE2 3.47Å; I844-V849 HydrophobicContact CD1-CG2 4.26Å
845T78.3Confident77.1Confident50 Ų5025.4 Ų25.431%0.30714%0.137SC..PPolyproline II helixtrans-82.5154.8178.165.90000110.6I843 E847 E848 V849I843-T845 PolarHBondContact O-N 3.46Å; T845-E847 PolarHBondContact O-N 3.48Å; T845-E847 VanDerWaalsContact O-N 3.12Å; T845-E847 WeakPolarHBondContact OG1-CB 2.98Å; T845-E848 PolarHBondContact O-N 3.49Å; T845-V849 PolarHBondContact O-N 3.42Å
846M78.6Confident75.7Confident2 Ų224.9 Ų24.91%0.0114%0.139CC..Hα-helixtrans-58.8-23.5173.3-176.357.756.700112.2L574 M731 D735 I741 S755 L758 K759 E848 V849 F850L574-M846 HydrophobicContact CD1-CG 4.07Å; L574-M846 HydrophobicContact CD1-SD 4.49Å; M731-M846 HydrophobicContact CB-CB 4.02Å; M731-M846 HydrophobicContact CB-CG 4.44Å; M731-M846 HydrophobicContact SD-CG 4.32Å; D735-M846 HydrophobicContact CB-CB 4.42Å; I741-M846 HydrophobicContact CD1-CE 3.58Å; I741-M846 HydrophobicContact CD1-CG 4.28Å; I741-M846 HydrophobicContact CD1-SD 4Å; I741-M846 HydrophobicContact CG2-SD 4.4Å; S755-M846 WeakPolarHBondContact OG-CE 3.45Å; L758-M846 HydrophobicContact CB-CE 4.34Å; L758-M846 HydrophobicContact CD1-SD 4.34Å; K759-M846 HydrophobicContact CG-CE 4.09Å; M846-E848 VanDerWaalsContact C-N 3.31Å; M846-E848 PolarHBondContact O-N 3.16Å; M846-V849 HydrophobicContact SD-CB 4.23Å; M846-V849 HydrophobicContact SD-CG1 4.25Å; M846-F850 WeakPolarHBondContact O-CB 3.24Å; M846-F850 PolarHBondContact O-N 2.85Å
847E76.8Confident73.9Confident2 Ų225.1 Ų25.11%0.00914%0.141CC..Hα-helixtrans-60-40.1172.9-163.6-171.7-15100112.5M731 T845 F850 L851 P1562 R1565 R1566M731-E847 HydrophobicContact CB-CB 4.04Å; M731-E847 VanDerWaalsContact CG-CA 3.47Å; M731-E847 HydrophobicContact CG-CB 3.64Å; M731-E847 HydrophobicContact CG-CG 3.99Å; T845-E847 PolarHBondContact O-N 3.48Å; T845-E847 VanDerWaalsContact O-N 3.12Å; T845-E847 WeakPolarHBondContact OG1-CB 2.98Å; E847-F850 WeakPolarHBondContact O-CB 3.3Å; E847-F850 PolarHBondContact O-N 3.21Å; E847-L851 WeakPolarHBondContact O-CG 3.35Å; E847-L851 PolarHBondContact O-N 2.66Å; E847-P1562 HydrophobicContact CG-CB 3.92Å; E847-P1562 HydrophobicContact CG-CG 4.42Å; E847-R1565 IonicContact OE1-NH1 3.92Å; E847-R1565 PolarHBondContact OE1-NH1 3.47Å; E847-R1565 VanDerWaalsContact OE1-NH1 3.15Å; E847-R1566 IonicContact OE2-CZ 2.77Å; E847-R1566 IonicContact OE2-NE 2.98Å; E847-R1566 PolarHBondContact OE2-NE 3.39Å; E847-R1566 IonicContact OE2-NH2 3.38Å; E847-R1566 PolarHBondContact OE2-NH2 2.89Å
848E75.9Confident72.1Confident17 Ų1726.6 Ų26.68%0.07915%0.151CC..Hα-helixtrans-78.8-36.5-173.6-66.1176.6152.900111.4R767 I844 T845 M846 F850 L851 R852 R1566R767-E848 IonicContact CZ-OE1 2.77Å; R767-E848 IonicContact CZ-OE2 2.72Å; R767-E848 IonicContact NE-OE2 2.64Å; R767-E848 IonicContact NH1-OE1 3.39Å; R767-E848 PolarHBondContact NH1-OE1 3.3Å; R767-E848 IonicContact NH1-OE2 2.8Å; R767-E848 PolarHBondContact NH1-OE2 3.14Å; R767-E848 IonicContact NH2-OE1 3.11Å; R767-E848 PolarHBondContact NH2-OE1 3.2Å; R767-E848 IonicContact NH2-OE2 2.76Å; R767-E848 PolarHBondContact NH2-OE2 2.72Å; I844-E848 HydrophobicContact CD1-CB 4.03Å; I844-E848 HydrophobicContact CG1-CB 3.75Å; I844-E848 VanDerWaalsContact CG1-OE2 3.29Å; I844-E848 WeakPolarHBondContact CG1-OE2 3.47Å; T845-E848 PolarHBondContact O-N 3.49Å; M846-E848 VanDerWaalsContact C-N 3.31Å; M846-E848 PolarHBondContact O-N 3.16Å; E848-F850 VanDerWaalsContact C-N 3.32Å; E848-L851 PolarHBondContact O-N 3.43Å; E848-R852 WeakPolarHBondContact O-CG 3.49Å; E848-R852 PolarHBondContact O-N 3.43Å; E848-R852 VanDerWaalsContact O-N 3.1Å; E848-R1566 IonicContact OE1-NH2 3.5Å
849V78.6Confident70.2Confident0 Ų031.6 Ų31.60%018%0.182CC..Hα-helixtrans-55.6-50.1166.1173.50000109.9L758 K759 F762 I844 T845 M846 L851 R852 V853L758-V849 HydrophobicContact CB-CG1 4.08Å; K759-V849 HydrophobicContact CG-CG2 4.11Å; F762-V849 HydrophobicContact CB-CG1 3.89Å; F762-V849 HydrophobicContact CB-CG2 4.48Å; F762-V849 HydrophobicContact CD2-CG1 4Å; F762-V849 HydrophobicContact CG-CG1 4.27Å; I844-V849 HydrophobicContact CD1-CG2 4.26Å; T845-V849 PolarHBondContact O-N 3.42Å; M846-V849 HydrophobicContact SD-CB 4.23Å; M846-V849 HydrophobicContact SD-CG1 4.25Å; V849-L851 PolarHBondContact O-N 2.96Å; V849-R852 PolarHBondContact O-N 3.4Å; V849-V853 HydrophobicContact CG1-CG2 4.36Å; V849-V853 WeakPolarHBondContact O-CG2 3.28Å; V849-V853 PolarHBondContact O-N 3.4Å
850F80.2Confident67.9Low2 Ų233.6 Ų33.61%0.00920%0.199CC..Hα-helixtrans-58.2-43.4178.6172.6-97.5000113.1L574 H576 M731 V743 M846 E847 E848 R852 T854 P1562L574-F850 HydrophobicContact CB-CD2 4.28Å; H576-F850 HydrophobicContact CB-CZ 4.35Å; M731-F850 HydrophobicContact SD-CB 4Å; M731-F850 HydrophobicContact SD-CG 4.3Å; V743-F850 HydrophobicContact CG1-CD2 3.73Å; V743-F850 HydrophobicContact CG1-CE2 3.88Å; M846-F850 WeakPolarHBondContact O-CB 3.24Å; M846-F850 PolarHBondContact O-N 2.85Å; E847-F850 WeakPolarHBondContact O-CB 3.3Å; E847-F850 PolarHBondContact O-N 3.21Å; E848-F850 VanDerWaalsContact C-N 3.32Å; F850-R852 VanDerWaalsContact C-N 3.32Å; F850-R852 PolarHBondContact O-N 3.36Å; F850-T854 PolarHBondContact O-N 2.99Å; F850-T854 PolarHBondContact O-OG1 3.42Å; F850-P1562 HydrophobicContact CD1-CB 4.46Å; F850-P1562 HydrophobicContact CD1-CG 4.46Å; F850-P1562 HydrophobicContact CE1-CG 4.48Å
851L73.5Confident65.9Low23 Ų2335.1 Ų35.112%0.1221%0.208CC..Hα-helixtrans-63.9-35.6178-73.4173000112.4E847 E848 V849 S857 I1563 R1566E847-L851 WeakPolarHBondContact O-CG 3.35Å; E847-L851 PolarHBondContact O-N 2.66Å; E848-L851 PolarHBondContact O-N 3.43Å; V849-L851 PolarHBondContact O-N 2.96Å; L851-S857 WeakPolarHBondContact O-CB 3.28Å; L851-S857 PolarHBondContact O-OG 2.87Å; L851-I1563 HydrophobicContact CD2-CB 4.46Å; L851-I1563 HydrophobicContact CD2-CG1 3.53Å; L851-R1566 HydrophobicContact CD1-CG 4.31Å
852R75Confident63.2Low101 Ų10141.4 Ų41.438%0.38124%0.237SC..Hα-helixtrans-73.3-42178.3-73.1173.7178.9-160-9.8113.2F762 D764 E848 V849 F850 T854F762-R852 WeakPolarHBondContact O-CD 3.4Å; F762-R852 PolarHBondContact O-NH1 3.25Å; D764-R852 IonicContact OD1-CZ 3.39Å; D764-R852 IonicContact OD1-NH1 3.33Å; D764-R852 PolarHBondContact OD1-NH1 2.95Å; D764-R852 IonicContact OD1-NH2 2.68Å; D764-R852 IonicContact OD2-CZ 2.6Å; D764-R852 IonicContact OD2-NH1 3.67Å; D764-R852 PolarHBondContact OD2-NH1 3.49Å; D764-R852 IonicContact OD2-NH2 3.61Å; D764-R852 PolarHBondContact OD2-NH2 2.92Å; E848-R852 WeakPolarHBondContact O-CG 3.49Å; E848-R852 PolarHBondContact O-N 3.43Å; E848-R852 VanDerWaalsContact O-N 3.1Å; V849-R852 PolarHBondContact O-N 3.4Å; F850-R852 VanDerWaalsContact C-N 3.32Å; F850-R852 PolarHBondContact O-N 3.36Å; R852-T854 VanDerWaalsContact C-N 3.26Å; R852-T854 PolarHBondContact O-N 3.5Å
853V75Confident61.1Low16 Ų1644.8 Ų44.810%0.09726%0.258CS..Hα-helixtrans-66.8-29.4180175.20000111.6V743 Q750 F762 V849 P855V743-V853 HydrophobicContact CB-CG1 4.35Å; V743-V853 HydrophobicContact CG1-CB 4.48Å; V743-V853 HydrophobicContact CG1-CG1 3.98Å; Q750-V853 HydrophobicContact CB-CG1 3.58Å; Q750-V853 HydrophobicContact CG-CG1 4.31Å; F762-V853 HydrophobicContact CD1-CG2 3.77Å; F762-V853 HydrophobicContact CD2-CG2 3.8Å; F762-V853 HydrophobicContact CE1-CG2 3.78Å; F762-V853 HydrophobicContact CE2-CG2 3.81Å; F762-V853 HydrophobicContact CG-CG2 3.78Å; F762-V853 HydrophobicContact CZ-CG2 3.8Å; V849-V853 HydrophobicContact CG1-CG2 4.36Å; V849-V853 WeakPolarHBondContact O-CG2 3.28Å; V849-V853 PolarHBondContact O-N 3.4Å; V853-P855 VanDerWaalsContact O-CD 3.26Å; V853-P855 WeakPolarHBondContact O-CD 3.41Å
854T68.2Low58.8Low0 Ų048.3 Ų48.30%028%0.28CS..SBendtrans-82.2112.5-179.5-53.20000110.8F850 R852 S856 S857 I1563F850-T854 PolarHBondContact O-N 2.99Å; F850-T854 PolarHBondContact O-OG1 3.42Å; R852-T854 VanDerWaalsContact C-N 3.26Å; R852-T854 PolarHBondContact O-N 3.5Å; T854-S856 VanDerWaalsContact C-N 3.25Å; T854-S856 PolarHBondContact O-N 3.27Å; T854-S856 VanDerWaalsContact O-N 3.16Å; T854-S857 WeakPolarHBondContact O-CB 3.49Å; T854-S857 PolarHBondContact O-N 3Å; T854-S857 VanDerWaalsContact O-N 3.12Å; T854-S857 PolarHBondContact O-OG 3.23Å; T854-I1563 HydrophobicContact CG2-CD1 4.49Å
855P56.2Low56.5Low73 Ų7352.7 Ų52.747%0.47431%0.307SS..G310 helixtrans-64.2-25.7-173.122-32.1000114.1V853 S857V853-P855 VanDerWaalsContact O-CD 3.26Å; V853-P855 WeakPolarHBondContact O-CD 3.41Å; P855-S857 PolarHBondContact O-N 3.2Å
856S49.1Very low54.3Low59 Ų5953.2 Ų53.241%0.41331%0.312SS..G310 helixtrans-65.5-17.6177.5-530000113.9T854 S860T854-S856 VanDerWaalsContact C-N 3.25Å; T854-S856 PolarHBondContact O-N 3.27Å; T854-S856 VanDerWaalsContact O-N 3.16Å; S856-S860 PolarHBondContact O-OG 3.14Å
857S45.2Very low52.1Low6 Ų656.4 Ų56.44%0.04233%0.334CS..G310 helixtrans-76.8-36.6-177.2-410000112.7L851 T854 P855 T859 S860 V861L851-S857 WeakPolarHBondContact O-CB 3.28Å; L851-S857 PolarHBondContact O-OG 2.87Å; T854-S857 WeakPolarHBondContact O-CB 3.49Å; T854-S857 PolarHBondContact O-N 3Å; T854-S857 VanDerWaalsContact O-N 3.12Å; T854-S857 PolarHBondContact O-OG 3.23Å; P855-S857 PolarHBondContact O-N 3.2Å; S857-T859 VanDerWaalsContact C-N 3.3Å; S857-T859 PolarHBondContact O-N 3.39Å; S857-S860 PolarHBondContact O-N 3.39Å; S857-S860 VanDerWaalsContact O-N 3.07Å; S857-V861 WeakPolarHBondContact O-CB 3.33Å; S857-V861 WeakPolarHBondContact O-CG2 3.48Å; S857-V861 PolarHBondContact O-N 3.04Å
858V39.5Very low50.1Low85 Ų8561.2 Ų61.252%0.51536%0.36SS..THydrogen-bonded Turntrans-64.8-34.8-169.6-174.10000111.5
859T40.5Very low48.2Very low136 Ų13670.6 Ų70.683%0.83439%0.394SS*.THydrogen-bonded Turntrans-77.5-14.5176.733.30000115.1S857S857-T859 VanDerWaalsContact C-N 3.3Å; S857-T859 PolarHBondContact O-N 3.39Å
860S38.1Very low46.1Very low62 Ų6275.5 Ų75.543%0.43442%0.421SS..THydrogen-bonded Turntrans-120.4-14.3-176.355.10000115.4S856 S857S856-S860 PolarHBondContact O-OG 3.14Å; S857-S860 PolarHBondContact O-N 3.39Å; S857-S860 VanDerWaalsContact O-N 3.07Å
861V38.1Very low44.4Very low33 Ų3377.8 Ų77.820%0.244%0.435CS..  trans-129.121-170.3-159.10000112.3S857 P863S857-V861 WeakPolarHBondContact O-CB 3.33Å; S857-V861 WeakPolarHBondContact O-CG2 3.48Å; S857-V861 PolarHBondContact O-N 3.04Å; V861-P863 WeakPolarHBondContact O-CD 3.35Å
862Q26.9Very low43Very low132 Ų13279.9 Ų79.962%0.61745%0.45SS*.  trans-56.3117.4164.3-87-170.8-12.900108.1T864Q862-T864 HydrophobicContact CB-CG2 4.39Å; Q862-T864 PolarHBondContact O-N 2.89Å
863P34.7Very low41.4Very low109 Ų10979.9 Ų79.971%0.70846%0.461SS*.  trans-76.769.5161.132.6-23.4000105.3V861 V865V861-P863 WeakPolarHBondContact O-CD 3.35Å; P863-V865 VanDerWaalsContact C-N 3.26Å; P863-V865 PolarHBondContact O-N 3.47Å
864T28.8Very low40Very low97 Ų9781.9 Ų81.960%0.59549%0.486SS*.  trans-57.7105.1157.837.50000104.3Q862 P866Q862-T864 HydrophobicContact CB-CG2 4.39Å; Q862-T864 PolarHBondContact O-N 2.89Å; T864-P866 WeakPolarHBondContact O-CD 3.42Å; T864-P866 VanDerWaalsContact O-CG 3.23Å; T864-P866 WeakPolarHBondContact O-CG 3.37Å
865V30Very low39Very low101 Ų10182.8 Ų82.861%0.61249%0.491SS*.  trans-52.298.4174.9-177.70000107.1P863 S867P863-V865 VanDerWaalsContact C-N 3.26Å; P863-V865 PolarHBondContact O-N 3.47Å; V865-S867 PolarHBondContact O-N 3.19Å
866P30.7Very low38.5Very low61 Ų6186.9 Ų86.940%0.39650%0.504SS..  trans-80.2117.1167.2-0.725.3000101.8T864 L868 N870 V871T864-P866 WeakPolarHBondContact O-CD 3.42Å; T864-P866 VanDerWaalsContact O-CG 3.23Å; T864-P866 WeakPolarHBondContact O-CG 3.37Å; P866-L868 PolarHBondContact O-N 3.33Å; P866-N870 HydrophobicContact CB-CB 3.75Å; P866-V871 HydrophobicContact CB-CG2 3.99Å; P866-V871 HydrophobicContact CG-CG2 3.71Å
867S32.4Very low38.9Very low69 Ų6986.3 Ų86.348%0.48349%0.494SS..  trans-29.9133.4166.853.60000110.2V865 R869 N870V865-S867 PolarHBondContact O-N 3.19Å; S867-R869 CarbonylContact O-C 3.38Å; S867-R869 PolarHBondContact O-N 3.3Å; S867-N870 PolarHBondContact O-N 2.85Å
868L36.3Very low39.2Very low104 Ų10490.7 Ų90.755%0.54552%0.521SS..Hα-helixtrans-38.5-29.2-173.2-97.399000115.4S803 P866 N870S803-L868 WeakPolarHBondContact OG-CD1 3.49Å; P866-L868 PolarHBondContact O-N 3.33Å; L868-N870 PolarHBondContact O-N 3.47Å
869R34.8Very low39.9Very low214 Ų21491.4 Ų91.481%0.80854%0.536SS*.Hα-helixtrans-61-32.2173.7-75-176.1179.5169.91115.2S867 T873S867-R869 CarbonylContact O-C 3.38Å; S867-R869 PolarHBondContact O-N 3.3Å; R869-T873 WeakPolarHBondContact O-CG2 3.35Å; R869-T873 PolarHBondContact O-OG1 2.84Å
870N36.1Very low41.2Very low103 Ų10386 Ų8655%0.55150%0.503SS*.Hα-helixtrans-92.9-19.2-172-73.2-2.5000114.5P866 S867 L868 T873P866-N870 HydrophobicContact CB-CB 3.75Å; S867-N870 PolarHBondContact O-N 2.85Å; L868-N870 PolarHBondContact O-N 3.47Å; N870-T873 PolarHBondContact O-OG1 3.41Å
871V43.9Very low43Very low50 Ų5089.7 Ų89.730%0.30351%0.513SS..Hα-helixtrans-73.9-32.9175.7179.90000111.1P866 R1574P866-V871 HydrophobicContact CB-CG2 3.99Å; P866-V871 HydrophobicContact CG-CG2 3.71Å; V871-R1574 HydrophobicContact CG1-CG 4.44Å
872C42.7Very low45Very low67 Ų6792.3 Ų92.345%0.45352%0.521SS..Hα-helixtrans-86.4-20.3-176.1-61.60000114.2G874 C1577C872-G874 PolarHBondContact O-N 3.19Å; C872-C1577 HydrophobicContact CB-CB 4.44Å
873T43.3Very low47.8Very low100 Ų10087.5 Ų87.561%0.61350%0.501SS*.THydrogen-bonded Turntrans-79.1-13.7-172.946.60000114.7R869 N870R869-T873 WeakPolarHBondContact O-CG2 3.35Å; R869-T873 PolarHBondContact O-OG1 2.84Å; N870-T873 PolarHBondContact O-OG1 3.41Å
874G45.2Very low50.1Low59 Ų5987.5 Ų87.561%0.60850%0.499SS*.THydrogen-bonded Turntrans-88.4-13.9-169.200000116.9C872C872-G874 PolarHBondContact O-N 3.19Å
875V46.5Very low52.8Low19 Ų1985.6 Ų85.612%0.11550%0.499CS..  trans-124.478.4-174.9-170.30000110.1F877 M1497 R1574V875-F877 HydrophobicContact CG1-CD2 4.18Å; V875-F877 HydrophobicContact CG1-CE2 3.9Å; V875-F877 HydrophobicContact CG1-CZ 4.34Å; V875-M1497 HydrophobicContact CG1-CE 3.77Å; V875-M1497 HydrophobicContact CG1-SD 4.29Å; V875-R1574 HydrophobicContact CG2-CB 4.18Å
876Q46.9Very low55.5Low159 Ų15987.9 Ų87.974%0.74350%0.501SS*.  trans-83.6108.7161.8-75.9-175.9-1400108.1T878Q876-T878 VanDerWaalsContact C-N 3.3Å; Q876-T878 PolarHBondContact O-N 3.11Å
877F55.7Low58.3Low47 Ų4794.6 Ų94.621%0.20652%0.518CS..  trans-65.696.5161.7-74.4-82.6000107.2V875 A879 M1497 L1544 S1547 V1575 S1578 V1580V875-F877 HydrophobicContact CG1-CD2 4.18Å; V875-F877 HydrophobicContact CG1-CE2 3.9Å; V875-F877 HydrophobicContact CG1-CZ 4.34Å; F877-A879 PolarHBondContact O-N 3.38Å; F877-M1497 HydrophobicContact CE1-CE 3.95Å; F877-M1497 HydrophobicContact CZ-CE 4.01Å; F877-M1497 HydrophobicContact CZ-SD 4.12Å; F877-L1544 HydrophobicContact CZ-CD2 4.28Å; F877-S1547 WeakPolarHBondContact CD1-OG 3.34Å; F877-V1575 HydrophobicContact CZ-CG2 4.35Å; F877-S1578 WeakPolarHBondContact CD2-OG 3.35Å; F877-S1578 VanDerWaalsContact CE2-OG 3.22Å; F877-S1578 WeakPolarHBondContact CE2-OG 3.46Å; F877-V1580 HydrophobicContact CE2-CG2 4.17Å
878T52.7Low60.9Low98 Ų9892.7 Ų92.760%0.60150%0.502SS*.  trans-57.7123.8170.849.50000107.9Q876 T880Q876-T878 VanDerWaalsContact C-N 3.3Å; Q876-T878 PolarHBondContact O-N 3.11Å; T878-T880 PolarHBondContact O-N 3.36Å
879A54.5Low63.4Low100 Ų10089.8 Ų89.883%0.82649%0.49SS*.  trans-57.7103.5173.500000108.3F877F877-A879 PolarHBondContact O-N 3.38Å
880T67.3Low66.1Low23 Ų2384 Ų8414%0.14147%0.474CS..  trans-76.6139.6-17942.30000109.6T878 K882 I1482 E1486T878-T880 PolarHBondContact O-N 3.36Å; T880-K882 PolarHBondContact O-N 2.96Å; T880-K882 VanDerWaalsContact O-N 3.14Å; T880-I1482 HydrophobicContact CG2-CG2 4.43Å; T880-E1486 WeakPolarHBondContact CA-OE2 3.27Å; T880-E1486 WeakPolarHBondContact CB-OE2 3.23Å
881E74.9Confident68.8Low138 Ų13880 Ų8065%0.64545%0.452SS*.  trans-67114.3174.4-75.1-171.5167.300109.2S1483 E1486E881-S1483 WeakPolarHBondContact O-CB 3.5Å; E881-S1483 PolarHBondContact O-N 2.92Å; E881-E1486 PolarHBondContact N-OE2 3.26Å
882K81.7Confident71.1Confident88 Ų8877.9 Ų77.938%0.38344%0.438SS..BIsolated β-bridgetrans-93.2123.9177.7-69.6-178.3-179.5174.20110.9T880 G1481 G1546T880-K882 PolarHBondContact O-N 2.96Å; T880-K882 VanDerWaalsContact O-N 3.14Å; K882-G1481 CarbonylContact C-O 3.58Å; K882-G1481 WeakPolarHBondContact CA-O 3.48Å; K882-G1546 WeakPolarHBondContact CE-O 3.33Å; K882-G1546 PolarHBondContact NZ-O 3.49Å
883V85.4Confident73.5Confident31 Ų3177.4 Ų77.419%0.18843%0.429CS..  trans-72.7135.3171.2-173.90000109.1R887 L888 G1481V883-R887 HydrophobicContact CG1-CB 3.3Å; V883-R887 HydrophobicContact CG1-CG 4.5Å; V883-L888 HydrophobicContact CG1-CB 4.47Å; V883-G1481 PolarHBondContact N-O 3.01Å
884T83.4Confident75.9Confident109 Ų10978.7 Ų78.767%0.66942%0.423SS*.  trans-126.2170177.759.60000111.6
885G85.7Confident78.2Confident57 Ų5776 Ų7659%0.58840%0.395SS*.Hα-helixtrans68.6-142.717600000114.6R887 L888 C889G885-R887 VanDerWaalsContact C-N 3.33Å; G885-R887 PolarHBondContact O-N 3.08Å; G885-L888 WeakPolarHBondContact O-CB 3.31Å; G885-L888 PolarHBondContact O-N 3.27Å; G885-C889 PolarHBondContact O-N 3.08Å; G885-C889 VanDerWaalsContact O-N 3.15Å
886F86.7Confident80.4Confident149 Ų14975.1 Ų75.165%0.65439%0.39SS*.Hα-helixtrans-63-35.7-175.8-176.5-102.8000113.4L888 C889 M890F886-L888 VanDerWaalsContact C-N 3.3Å; F886-L888 PolarHBondContact O-N 3.42Å; F886-C889 WeakPolarHBondContact O-CB 3.11Å; F886-C889 PolarHBondContact O-N 2.9Å; F886-C889 VanDerWaalsContact O-N 3.16Å; F886-M890 HydrophobicContact CD1-CG 4.22Å; F886-M890 HydrophobicContact CE1-CE 3.91Å; F886-M890 HydrophobicContact CE1-CG 3.8Å; F886-M890 HydrophobicContact CE2-CE 3.74Å; F886-M890 HydrophobicContact CZ-CE 3.22Å; F886-M890 HydrophobicContact CZ-CG 4.04Å; F886-M890 HydrophobicContact CZ-SD 4.47Å; F886-M890 PolarHBondContact O-N 3.27Å
887R88.4Confident82.7Confident203 Ų20369.4 Ų69.477%0.76636%0.364SS*.Hα-helixtrans-62.4-38.7175.9-69.7-176.4-179.8176.81111.6V883 G885 M890 Q891V883-R887 HydrophobicContact CG1-CB 3.3Å; V883-R887 HydrophobicContact CG1-CG 4.5Å; G885-R887 VanDerWaalsContact C-N 3.33Å; G885-R887 PolarHBondContact O-N 3.08Å; R887-M890 PolarHBondContact O-N 3.09Å; R887-Q891 WeakPolarHBondContact O-CB 3.44Å; R887-Q891 PolarHBondContact O-N 3.07Å
888L87.8Confident84.4Confident28 Ų2868.9 Ų68.915%0.14737%0.365CS..Hα-helixtrans-63.4-45.3173.1177.763.1000110.8V883 G885 F886 M890 Q891 Q892V883-L888 HydrophobicContact CG1-CB 4.47Å; G885-L888 WeakPolarHBondContact O-CB 3.31Å; G885-L888 PolarHBondContact O-N 3.27Å; F886-L888 VanDerWaalsContact C-N 3.3Å; F886-L888 PolarHBondContact O-N 3.42Å; L888-M890 VanDerWaalsContact C-N 3.33Å; L888-M890 PolarHBondContact O-N 3.17Å; L888-Q891 PolarHBondContact O-N 2.96Å; L888-Q892 HydrophobicContact CD1-CG 4.11Å; L888-Q892 HydrophobicContact CG-CG 4.32Å; L888-Q892 WeakPolarHBondContact O-CB 3.39Å; L888-Q892 WeakPolarHBondContact O-CG 3.4Å; L888-Q892 PolarHBondContact O-N 3.25Å
889C88.9Confident86.3Confident43 Ų4364.5 Ų64.529%0.29134%0.337SS..Hα-helixtrans-56.8-45.7176.5-174.30000111.8G885 F886 Q892 F893 T1128G885-C889 PolarHBondContact O-N 3.08Å; G885-C889 VanDerWaalsContact O-N 3.15Å; F886-C889 WeakPolarHBondContact O-CB 3.11Å; F886-C889 PolarHBondContact O-N 2.9Å; F886-C889 VanDerWaalsContact O-N 3.16Å; C889-Q892 PolarHBondContact O-N 3.33Å; C889-F893 WeakPolarHBondContact O-CB 3.41Å; C889-F893 PolarHBondContact O-N 2.95Å; C889-T1128 PolarHBondContact SG-OG1 3.08Å
890M91.7Very high88Confident94 Ų9460.4 Ų60.446%0.46330%0.301SS..Hα-helixtrans-65.6-40.3177-76.5-62.3164.800113F886 R887 L888 F893 Y894F886-M890 HydrophobicContact CD1-CG 4.22Å; F886-M890 HydrophobicContact CE1-CE 3.91Å; F886-M890 HydrophobicContact CE1-CG 3.8Å; F886-M890 HydrophobicContact CE2-CE 3.74Å; F886-M890 HydrophobicContact CZ-CE 3.22Å; F886-M890 HydrophobicContact CZ-CG 4.04Å; F886-M890 HydrophobicContact CZ-SD 4.47Å; F886-M890 PolarHBondContact O-N 3.27Å; R887-M890 PolarHBondContact O-N 3.09Å; L888-M890 VanDerWaalsContact C-N 3.33Å; L888-M890 PolarHBondContact O-N 3.17Å; M890-F893 PolarHBondContact O-N 3.38Å; M890-Y894 WeakPolarHBondContact O-CB 3.48Å; M890-Y894 PolarHBondContact O-N 2.84Å
891Q91.1Very high89Confident18 Ų1860.9 Ų60.98%0.08431%0.307CS..Hα-helixtrans-64.5-40.7175.5-176.51744.300112R887 L888 A895 R1478 I1482R887-Q891 WeakPolarHBondContact O-CB 3.44Å; R887-Q891 PolarHBondContact O-N 3.07Å; L888-Q891 PolarHBondContact O-N 2.96Å; Q891-A895 WeakPolarHBondContact O-CB 3.19Å; Q891-A895 PolarHBondContact O-N 3.46Å; Q891-R1478 HydrophobicContact CG-CB 4.01Å; Q891-R1478 HydrophobicContact CG-CG 4.15Å; Q891-I1482 PolarHBondContact NE2-O 3.47Å
892Q92.4Very high89.5Confident5 Ų556.3 Ų56.32%0.02329%0.287CS..Hα-helixtrans-65.9-44.5175.1-71.9175.4-9.200111.5L888 C889 A895 M896 N1123 T1128 L1479L888-Q892 HydrophobicContact CD1-CG 4.11Å; L888-Q892 HydrophobicContact CG-CG 4.32Å; L888-Q892 WeakPolarHBondContact O-CB 3.39Å; L888-Q892 WeakPolarHBondContact O-CG 3.4Å; L888-Q892 PolarHBondContact O-N 3.25Å; C889-Q892 PolarHBondContact O-N 3.33Å; Q892-A895 WeakPolarHBondContact O-CB 3.37Å; Q892-A895 PolarHBondContact O-N 3.13Å; Q892-M896 VanDerWaalsContact O-CG 3.3Å; Q892-M896 WeakPolarHBondContact O-CG 3.35Å; Q892-M896 PolarHBondContact O-N 3.32Å; Q892-N1123 VanDerWaalsContact NE2-C 3.33Å; Q892-N1123 PolarHBondContact NE2-O 3.03Å; Q892-T1128 HydrophobicContact CB-CG2 4.26Å; Q892-L1479 HydrophobicContact CB-CD2 4.46Å; Q892-L1479 HydrophobicContact CG-CD2 4.22Å; Q892-L1479 PolarHBondContact NE2-O 3.31Å
893F94.1Very high89.6Confident58 Ų5853 Ų5325%0.25427%0.273SS..Hα-helixtrans-57.7-50.8174.9-178.8-97.2000111.2C889 M890 A895 M896 I897 T1128 A1132 L1135C889-F893 WeakPolarHBondContact O-CB 3.41Å; C889-F893 PolarHBondContact O-N 2.95Å; M890-F893 PolarHBondContact O-N 3.38Å; F893-A895 VanDerWaalsContact C-N 3.33Å; F893-A895 PolarHBondContact O-N 3.36Å; F893-M896 WeakPolarHBondContact O-CB 3.29Å; F893-M896 PolarHBondContact O-N 3.44Å; F893-M896 VanDerWaalsContact O-N 3.14Å; F893-I897 HydrophobicContact CD1-CG1 4.27Å; F893-I897 HydrophobicContact CE1-CD1 4.44Å; F893-I897 HydrophobicContact CE1-CG1 3.83Å; F893-I897 HydrophobicContact CZ-CD1 4.1Å; F893-I897 HydrophobicContact CZ-CG1 3.96Å; F893-I897 WeakPolarHBondContact O-CG1 3.28Å; F893-I897 PolarHBondContact O-N 3.38Å; F893-T1128 HydrophobicContact CB-CG2 3.74Å; F893-T1128 HydrophobicContact CD2-CG2 4.24Å; F893-A1132 HydrophobicContact CD2-CB 3.76Å; F893-A1132 HydrophobicContact CE2-CB 3.78Å; F893-L1135 HydrophobicContact CE2-CD1 3.88Å; F893-L1135 HydrophobicContact CZ-CD1 3.64Å
894Y93.9Very high89.4Confident127 Ų12752 Ų5250%0.49827%0.267SS..Hα-helixtrans-58.9-42.9176.3175.5-108.5000112.2M890 M896 I897 V898 R1478M890-Y894 WeakPolarHBondContact O-CB 3.48Å; M890-Y894 PolarHBondContact O-N 2.84Å; Y894-M896 VanDerWaalsContact C-N 3.27Å; Y894-M896 PolarHBondContact O-N 3.28Å; Y894-I897 PolarHBondContact O-N 3.37Å; Y894-V898 HydrophobicContact CD1-CG2 4.34Å; Y894-V898 HydrophobicContact CD2-CG2 4.14Å; Y894-V898 HydrophobicContact CE1-CG2 3.91Å; Y894-V898 HydrophobicContact CE2-CG2 3.67Å; Y894-V898 HydrophobicContact CG-CG2 4.45Å; Y894-V898 WeakPolarHBondContact O-CG2 3.35Å; Y894-V898 PolarHBondContact O-N 3.35Å; Y894-R1478 VanDerWaalsContact CE1-CZ 3.44Å; Y894-R1478 VanDerWaalsContact CE1-NH1 3.33Å
895A92.2Very high89.2Confident2 Ų249.9 Ų49.92%0.01726%0.257CS..Hα-helixtrans-60.2-38.6177.100000112.3Q891 Q892 F893 K899 L1475 R1478Q891-A895 WeakPolarHBondContact O-CB 3.19Å; Q891-A895 PolarHBondContact O-N 3.46Å; Q892-A895 WeakPolarHBondContact O-CB 3.37Å; Q892-A895 PolarHBondContact O-N 3.13Å; F893-A895 VanDerWaalsContact C-N 3.33Å; F893-A895 PolarHBondContact O-N 3.36Å; A895-K899 WeakPolarHBondContact O-CB 3.17Å; A895-K899 PolarHBondContact O-N 3.22Å; A895-L1475 HydrophobicContact CB-CD1 3.9Å; A895-R1478 HydrophobicContact CB-CB 3.69Å; A895-R1478 HydrophobicContact CB-CG 4.34Å
896M93.4Very high88.7Confident0 Ų050.3 Ų50.30%024%0.241CC..Hα-helixtrans-68.6-42.5176.8-71.7-64.9-66.700113.3Q892 F893 Y894 K899 R900 M1124 F1129 A1132Q892-M896 VanDerWaalsContact O-CG 3.3Å; Q892-M896 WeakPolarHBondContact O-CG 3.35Å; Q892-M896 PolarHBondContact O-N 3.32Å; F893-M896 WeakPolarHBondContact O-CB 3.29Å; F893-M896 PolarHBondContact O-N 3.44Å; F893-M896 VanDerWaalsContact O-N 3.14Å; Y894-M896 VanDerWaalsContact C-N 3.27Å; Y894-M896 PolarHBondContact O-N 3.28Å; M896-K899 WeakPolarHBondContact O-CB 3.28Å; M896-K899 PolarHBondContact O-N 3.41Å; M896-K899 HydrophobicContact SD-CD 4.33Å; M896-K899 PolarHBondContact SD-NZ 2.88Å; M896-R900 WeakPolarHBondContact O-CG 3.3Å; M896-R900 PolarHBondContact O-N 3.5Å; M896-M1124 HydrophobicContact CE-CE 3.56Å; M896-M1124 HydrophobicContact CE-SD 4.38Å; M896-M1124 HydrophobicContact CG-CE 3.18Å; M896-M1124 HydrophobicContact CG-SD 4.44Å; M896-M1124 HydrophobicContact SD-CE 3.25Å; M896-M1124 WeakPolarHBondContact SD-CE 3.3Å; M896-M1124 HydrophobicContact SD-SD 3.89Å; M896-F1129 HydrophobicContact CE-CD2 3.55Å; M896-F1129 HydrophobicContact CE-CE2 3.88Å; M896-F1129 HydrophobicContact CE-CG 4.43Å; M896-A1132 HydrophobicContact CB-CB 3.51Å; M896-A1132 HydrophobicContact CG-CB 4.32Å
897I94.3Very high88.1Confident40 Ų4044.4 Ų44.421%0.20522%0.217CC..Hα-helixtrans-62.7-46.2174.9-65.3-61.9000110.4F893 Y894 K899 R900 A901 A1132 W1136F893-I897 HydrophobicContact CD1-CG1 4.27Å; F893-I897 HydrophobicContact CE1-CD1 4.44Å; F893-I897 HydrophobicContact CE1-CG1 3.83Å; F893-I897 HydrophobicContact CZ-CD1 4.1Å; F893-I897 HydrophobicContact CZ-CG1 3.96Å; F893-I897 WeakPolarHBondContact O-CG1 3.28Å; F893-I897 PolarHBondContact O-N 3.38Å; Y894-I897 PolarHBondContact O-N 3.37Å; I897-K899 VanDerWaalsContact C-N 3.32Å; I897-K899 PolarHBondContact O-N 3.35Å; I897-R900 PolarHBondContact O-N 3.43Å; I897-A901 WeakPolarHBondContact O-CB 3.48Å; I897-A901 PolarHBondContact O-N 3.25Å; I897-A1132 HydrophobicContact CD1-CB 4.21Å; I897-A1132 WeakPolarHBondContact CD1-O 3.25Å; I897-W1136 HydrophobicContact CD1-CB 4.35Å; I897-W1136 HydrophobicContact CG2-CE3 4.17Å; I897-W1136 HydrophobicContact CG2-CZ3 4.41Å
898V92.1Very high87.4Confident36 Ų3643.6 Ų43.622%0.21821%0.213CC..Hα-helixtrans-61.4-41.2176.5172.70000111.3Y894 R900 A901 L902Y894-V898 HydrophobicContact CD1-CG2 4.34Å; Y894-V898 HydrophobicContact CD2-CG2 4.14Å; Y894-V898 HydrophobicContact CE1-CG2 3.91Å; Y894-V898 HydrophobicContact CE2-CG2 3.67Å; Y894-V898 HydrophobicContact CG-CG2 4.45Å; Y894-V898 WeakPolarHBondContact O-CG2 3.35Å; Y894-V898 PolarHBondContact O-N 3.35Å; V898-R900 PolarHBondContact O-N 3.07Å; V898-A901 PolarHBondContact O-N 3.46Å; V898-L902 HydrophobicContact CG1-CD1 3.83Å; V898-L902 HydrophobicContact CG1-CG 4.2Å; V898-L902 WeakPolarHBondContact O-CB 3.43Å; V898-L902 VanDerWaalsContact O-CG 3.29Å; V898-L902 WeakPolarHBondContact O-CG 3.4Å; V898-L902 PolarHBondContact O-N 3.35Å
899K92.1Very high86.7Confident5 Ų546.3 Ų46.32%0.02223%0.228CC..Hα-helixtrans-56.8-49.7174.5177.9-165.368.41700111A895 M896 I897 L902 D903 F1106 E1110 F1464 L1467 L1475A895-K899 WeakPolarHBondContact O-CB 3.17Å; A895-K899 PolarHBondContact O-N 3.22Å; M896-K899 WeakPolarHBondContact O-CB 3.28Å; M896-K899 PolarHBondContact O-N 3.41Å; M896-K899 HydrophobicContact SD-CD 4.33Å; M896-K899 PolarHBondContact SD-NZ 2.88Å; I897-K899 VanDerWaalsContact C-N 3.32Å; I897-K899 PolarHBondContact O-N 3.35Å; K899-L902 PolarHBondContact O-N 2.86Å; K899-D903 PolarHBondContact O-N 2.87Å; K899-F1106 HydrophobicContact CD-CZ 4.48Å; K899-E1110 IonicContact NZ-OE1 3.59Å; K899-E1110 PolarHBondContact NZ-OE1 3.45Å; K899-E1110 IonicContact NZ-OE2 2.85Å; K899-F1464 HydrophobicContact CD-CE1 4.35Å; K899-F1464 HydrophobicContact CD-CE2 4.32Å; K899-F1464 HydrophobicContact CD-CZ 4.03Å; K899-L1467 HydrophobicContact CG-CD1 4.47Å; K899-L1475 HydrophobicContact CB-CD1 4.21Å; K899-L1475 HydrophobicContact CB-CD2 4.4Å; K899-L1475 HydrophobicContact CD-CD2 3.97Å; K899-L1475 HydrophobicContact CG-CD2 4.1Å
900R90.4Very high86Confident15 Ų1546.4 Ų46.46%0.05723%0.225CC..Hα-helixtrans-62.7-43.4177.9-67.1-65.1-70.3133.1-5.4111.3M896 I897 V898 L902 D903 A904 F1106 N1133 W1136 D1137M896-R900 WeakPolarHBondContact O-CG 3.3Å; M896-R900 PolarHBondContact O-N 3.5Å; I897-R900 PolarHBondContact O-N 3.43Å; V898-R900 PolarHBondContact O-N 3.07Å; R900-L902 PolarHBondContact O-N 3.09Å; R900-D903 IonicContact NH1-OD2 3Å; R900-D903 PolarHBondContact O-N 2.79Å; R900-A904 WeakPolarHBondContact O-CB 3.44Å; R900-A904 PolarHBondContact O-N 3.21Å; R900-F1106 VanDerWaalsContact CZ-CD1 3.49Å; R900-F1106 VanDerWaalsContact NH1-CD1 3.26Å; R900-N1133 WeakPolarHBondContact CD-OD1 3.49Å; R900-W1136 HydrophobicContact CB-CB 4.06Å; R900-W1136 HydrophobicContact CB-CD2 3.58Å; R900-W1136 HydrophobicContact CB-CE3 4.23Å; R900-W1136 HydrophobicContact CB-CG 3.43Å; R900-W1136 VanDerWaalsContact CB-CG 3.43Å; R900-W1136 HydrophobicContact CG-CB 4.14Å; R900-W1136 HydrophobicContact CG-CG 3.99Å; R900-D1137 IonicContact CZ-OD1 3.26Å; R900-D1137 IonicContact NE-OD1 2.95Å; R900-D1137 IonicContact NH2-OD1 3Å; R900-D1137 PolarHBondContact NH2-OD1 3.32Å; R900-D1137 IonicContact NH2-OD2 2.76Å
901A88.8Confident85.5Confident33 Ų3344.4 Ų44.427%0.27322%0.216SC..Hα-helixtrans-61.7-40.6177.900000113.7I897 V898 A904 S905 W1136I897-A901 WeakPolarHBondContact O-CB 3.48Å; I897-A901 PolarHBondContact O-N 3.25Å; V898-A901 PolarHBondContact O-N 3.46Å; A901-A904 WeakPolarHBondContact O-CB 3.08Å; A901-S905 VanDerWaalsContact O-CB 3.22Å; A901-S905 WeakPolarHBondContact O-CB 3.3Å; A901-S905 PolarHBondContact O-N 3.24Å; A901-W1136 HydrophobicContact CB-CE3 4.49Å; A901-W1136 HydrophobicContact CB-CH2 3.44Å; A901-W1136 VanDerWaalsContact CB-CH2 3.44Å; A901-W1136 HydrophobicContact CB-CZ2 4.17Å; A901-W1136 HydrophobicContact CB-CZ3 3.61Å
902L85.6Confident85Confident42 Ų4248.8 Ų48.822%0.2224%0.235CC..Hα-helixtrans-70-43.1177.4-71.9172.7000112V898 K899 R900 A904 R906 L1467 E1471V898-L902 HydrophobicContact CG1-CD1 3.83Å; V898-L902 HydrophobicContact CG1-CG 4.2Å; V898-L902 WeakPolarHBondContact O-CB 3.43Å; V898-L902 VanDerWaalsContact O-CG 3.29Å; V898-L902 WeakPolarHBondContact O-CG 3.4Å; V898-L902 PolarHBondContact O-N 3.35Å; K899-L902 PolarHBondContact O-N 2.86Å; R900-L902 PolarHBondContact O-N 3.09Å; L902-A904 VanDerWaalsContact C-N 3.33Å; L902-R906 WeakPolarHBondContact O-CB 3.16Å; L902-R906 WeakPolarHBondContact O-CD 3.38Å; L902-R906 VanDerWaalsContact O-CG 3.23Å; L902-R906 WeakPolarHBondContact O-CG 3.17Å; L902-R906 PolarHBondContact O-N 2.68Å; L902-L1467 HydrophobicContact CB-CD2 3.65Å; L902-L1467 HydrophobicContact CD1-CD2 3.81Å; L902-L1467 HydrophobicContact CG-CD2 4.4Å; L902-E1471 HydrophobicContact CD1-CB 4.12Å; L902-E1471 HydrophobicContact CD1-CG 3.84Å; L902-E1471 WeakPolarHBondContact CD2-OE1 3.06Å
903D83.1Confident84.3Confident18 Ų1850.8 Ų50.810%0.09625%0.247CC..Hα-helixtrans-60.9-46.2174.8-17560.9000110.7K899 R900 R906 N907 F1106 N1466K899-D903 PolarHBondContact O-N 2.87Å; R900-D903 IonicContact NH1-OD2 3Å; R900-D903 PolarHBondContact O-N 2.79Å; D903-R906 PolarHBondContact O-N 3.2Å; D903-N907 WeakPolarHBondContact O-CB 3.45Å; D903-N907 PolarHBondContact O-N 2.97Å; D903-F1106 HydrophobicContact CB-CE2 4.13Å; D903-F1106 VanDerWaalsContact OD2-CD2 3.23Å; D903-F1106 WeakPolarHBondContact OD2-CD2 3.36Å; D903-F1106 WeakPolarHBondContact OD2-CE2 3.44Å; D903-N1466 WeakPolarHBondContact OD1-CB 3.32Å; D903-N1466 PolarHBondContact OD1-ND2 2.84Å
904A81.2Confident83.9Confident9 Ų948.8 Ų48.87%0.07424%0.238CC..Hα-helixtrans-55.5-5717500000112.9R900 A901 L902 R906 N907 I911 W1136R900-A904 WeakPolarHBondContact O-CB 3.44Å; R900-A904 PolarHBondContact O-N 3.21Å; A901-A904 WeakPolarHBondContact O-CB 3.08Å; L902-A904 VanDerWaalsContact C-N 3.33Å; A904-R906 PolarHBondContact O-N 3.35Å; A904-R906 VanDerWaalsContact O-N 3.09Å; A904-N907 CarbonylContact O-C 3.47Å; A904-N907 PolarHBondContact O-N 3.36Å; A904-I911 VanDerWaalsContact C-CD1 3.4Å; A904-I911 VanDerWaalsContact CA-CD1 3.48Å; A904-I911 HydrophobicContact CB-CD1 3.37Å; A904-I911 HydrophobicContact CB-CG1 4.46Å; A904-I911 WeakPolarHBondContact O-CD1 3.49Å; A904-W1136 HydrophobicContact CB-CZ2 3.5Å; A904-W1136 VanDerWaalsContact CB-CZ2 3.5Å
905S80.1Confident83.5Confident65 Ų6544.2 Ų44.246%0.45522%0.224SC..Hα-helixtrans-59.4-25-179.2175.30000113.4A901 R908A901-S905 VanDerWaalsContact O-CB 3.22Å; A901-S905 WeakPolarHBondContact O-CB 3.3Å; A901-S905 PolarHBondContact O-N 3.24Å; S905-R908 WeakPolarHBondContact O-CG 3.02Å; S905-R908 PolarHBondContact O-NE 3.24Å
906R75.4Confident83.3Confident66 Ų6648.5 Ų48.525%0.24924%0.242CC..Hα-helixtrans-95.1-31.3-179.4-69.5176.3175.71785.7112.7L902 D903 A904 R908 N1466 E1471L902-R906 WeakPolarHBondContact O-CB 3.16Å; L902-R906 WeakPolarHBondContact O-CD 3.38Å; L902-R906 VanDerWaalsContact O-CG 3.23Å; L902-R906 WeakPolarHBondContact O-CG 3.17Å; L902-R906 PolarHBondContact O-N 2.68Å; D903-R906 PolarHBondContact O-N 3.2Å; A904-R906 PolarHBondContact O-N 3.35Å; A904-R906 VanDerWaalsContact O-N 3.09Å; R906-R908 VanDerWaalsContact C-N 3.25Å; R906-R908 PolarHBondContact O-N 3.39Å; R906-N1466 WeakPolarHBondContact CD-O 3.37Å; R906-N1466 PolarHBondContact NH1-O 3.3Å; R906-E1471 IonicContact CZ-OE1 3.86Å; R906-E1471 IonicContact CZ-OE2 2.65Å; R906-E1471 IonicContact NH1-OE1 3.04Å; R906-E1471 IonicContact NH1-OE2 3.53Å; R906-E1471 PolarHBondContact NH1-OE2 2.88Å; R906-E1471 IonicContact NH2-OE1 2.68Å; R906-E1471 PolarHBondContact NH2-OE1 3.03Å; R906-E1471 IonicContact NH2-OE2 3.8Å; R906-E1471 PolarHBondContact NH2-OE2 2.72Å
907N73.8Confident83Confident26 Ų2649.2 Ų49.214%0.13925%0.246CC..  trans-93.152.5171.2-1615.4000111D903 A904 L909 L910 I911D903-N907 WeakPolarHBondContact O-CB 3.45Å; D903-N907 PolarHBondContact O-N 2.97Å; A904-N907 CarbonylContact O-C 3.47Å; A904-N907 PolarHBondContact O-N 3.36Å; N907-L909 PolarHBondContact O-N 3.25Å; N907-L909 VanDerWaalsContact O-N 3.1Å; N907-L910 HydrophobicContact CB-CB 4.44Å; N907-L910 WeakPolarHBondContact ND2-CB 3.44Å; N907-L910 PolarHBondContact O-N 3.33Å; N907-I911 PolarHBondContact O-N 3.46Å
908R74.1Confident82.8Confident185 Ų18547.3 Ų47.370%0.69824%0.237SC*.Hα-helixtrans-55.2-32.9-176-60.4-172.4-177.2179.7-4.4112.9S905 R906 I911 F912S905-R908 WeakPolarHBondContact O-CG 3.02Å; S905-R908 PolarHBondContact O-NE 3.24Å; R906-R908 VanDerWaalsContact C-N 3.25Å; R906-R908 PolarHBondContact O-N 3.39Å; R908-I911 PolarHBondContact O-N 2.9Å; R908-F912 WeakPolarHBondContact O-CB 3.4Å; R908-F912 PolarHBondContact O-N 2.97Å
909L71.4Confident82.8Confident85 Ų8546.8 Ų46.845%0.44523%0.234SC..Hα-helixtrans-63.5-41.8178.6-17864.4000111.7N907 F912 V913N907-L909 PolarHBondContact O-N 3.25Å; N907-L909 VanDerWaalsContact O-N 3.1Å; L909-F912 PolarHBondContact O-N 3.49Å; L909-V913 HydrophobicContact CD1-CG2 4.2Å; L909-V913 HydrophobicContact CG-CG2 4.43Å; L909-V913 WeakPolarHBondContact O-CB 3.34Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 3.22Å
910L76.1Confident82.7Confident45 Ų4549.1 Ų49.124%0.23625%0.246CC..Hα-helixtrans-64.5-44.4-179.8-177.663.6000111.2N907 V913 Q914N907-L910 HydrophobicContact CB-CB 4.44Å; N907-L910 WeakPolarHBondContact ND2-CB 3.44Å; N907-L910 PolarHBondContact O-N 3.33Å; L910-V913 PolarHBondContact O-N 3.36Å; L910-Q914 WeakPolarHBondContact O-CB 3.49Å; L910-Q914 VanDerWaalsContact O-CG 3.23Å; L910-Q914 WeakPolarHBondContact O-CG 3.22Å; L910-Q914 PolarHBondContact O-N 3.07Å
911I80.4Confident82.7Confident52 Ų5248.6 Ų48.627%0.26724%0.244SC..Hα-helixtrans-67.1-43.9177.6-63175.3000111A904 N907 R908 V913 Q914 V915A904-I911 VanDerWaalsContact C-CD1 3.4Å; A904-I911 VanDerWaalsContact CA-CD1 3.48Å; A904-I911 HydrophobicContact CB-CD1 3.37Å; A904-I911 HydrophobicContact CB-CG1 4.46Å; A904-I911 WeakPolarHBondContact O-CD1 3.49Å; N907-I911 PolarHBondContact O-N 3.46Å; R908-I911 PolarHBondContact O-N 2.9Å; I911-V913 VanDerWaalsContact C-N 3.27Å; I911-V913 PolarHBondContact O-N 3.09Å; I911-Q914 WeakPolarHBondContact O-CB 3.11Å; I911-Q914 PolarHBondContact O-N 2.84Å; I911-V915 HydrophobicContact CG2-CG2 4.36Å; I911-V915 WeakPolarHBondContact O-CG2 3.32Å; I911-V915 PolarHBondContact O-N 3.23Å
912F80.8Confident82.7Confident111 Ų11147 Ų4749%0.48723%0.231SC..Hα-helixtrans-55.8-47.2175.4179.5-97000110.1R908 L909 V915 F916R908-F912 WeakPolarHBondContact O-CB 3.4Å; R908-F912 PolarHBondContact O-N 2.97Å; L909-F912 PolarHBondContact O-N 3.49Å; F912-V915 PolarHBondContact O-N 3.37Å; F912-F916 HydrophobicContact CD1-CB 4.32Å; F912-F916 HydrophobicContact CE1-CB 4.03Å; F912-F916 AromaticContact CE1-CD1 3.94Å; F912-F916 HydrophobicContact CE1-CD1 3.94Å; F912-F916 AromaticContact CE1-CG 3.95Å; F912-F916 HydrophobicContact CE1-CG 3.95Å; F912-F916 HydrophobicContact CE2-CB 4.25Å; F912-F916 HydrophobicContact CE2-CD2 4.4Å; F912-F916 HydrophobicContact CE2-CG 4.34Å; F912-F916 HydrophobicContact CZ-CB 3.99Å; F912-F916 HydrophobicContact CZ-CD1 4.06Å; F912-F916 AromaticContact CZ-CD2 3.97Å; F912-F916 HydrophobicContact CZ-CD2 3.97Å; F912-F916 HydrophobicContact CZ-CE2 4.48Å; F912-F916 AromaticContact CZ-CG 3.74Å; F912-F916 HydrophobicContact CZ-CG 3.74Å; F912-F916 WeakPolarHBondContact O-CA 3.42Å; F912-F916 WeakPolarHBondContact O-CB 3.32Å; F912-F916 PolarHBondContact O-N 3.01Å
913V78Confident82.9Confident46 Ų4646.6 Ų46.628%0.27923%0.23SC..Hα-helixtrans-64.3-42.1176.71700000112L909 L910 I911 V915 V917L909-V913 HydrophobicContact CD1-CG2 4.2Å; L909-V913 HydrophobicContact CG-CG2 4.43Å; L909-V913 WeakPolarHBondContact O-CB 3.34Å; L909-V913 WeakPolarHBondContact O-CG2 3.4Å; L909-V913 PolarHBondContact O-N 3.22Å; L910-V913 PolarHBondContact O-N 3.36Å; I911-V913 VanDerWaalsContact C-N 3.27Å; I911-V913 PolarHBondContact O-N 3.09Å; V913-V915 VanDerWaalsContact C-N 3.3Å; V913-V915 PolarHBondContact O-N 3.35Å; V913-V917 HydrophobicContact CG1-CG2 3.78Å; V913-V917 VanDerWaalsContact O-CB 3.23Å; V913-V917 WeakPolarHBondContact O-CB 3.49Å; V913-V917 VanDerWaalsContact O-CG2 3.31Å; V913-V917 WeakPolarHBondContact O-CG2 3.5Å; V913-V917 PolarHBondContact O-N 2.8Å
914Q84Confident83.1Confident16 Ų1646.5 Ų46.58%0.07523%0.23CC..Hα-helixtrans-59.4-37.9177.6-79.4169.3-16.100113.3L910 I911 P918 M1099 S1102 T1144L910-Q914 WeakPolarHBondContact O-CB 3.49Å; L910-Q914 VanDerWaalsContact O-CG 3.23Å; L910-Q914 WeakPolarHBondContact O-CG 3.22Å; L910-Q914 PolarHBondContact O-N 3.07Å; I911-Q914 WeakPolarHBondContact O-CB 3.11Å; I911-Q914 PolarHBondContact O-N 2.84Å; Q914-P918 VanDerWaalsContact O-CD 3.24Å; Q914-P918 WeakPolarHBondContact O-CD 3.47Å; Q914-M1099 HydrophobicContact CB-CG 4.49Å; Q914-M1099 WeakPolarHBondContact O-CG 3.27Å; Q914-S1102 WeakPolarHBondContact CG-OG 3.36Å; Q914-S1102 PolarHBondContact NE2-OG 2.8Å; Q914-T1144 PolarHBondContact O-OG1 3.37Å
915V86.9Confident83.3Confident31 Ų3146 Ų4619%0.18823%0.227CC..Hα-helixtrans-88.2-48.5-179.3179.90000111I911 F912 V913 V919 L1143 T1144I911-V915 HydrophobicContact CG2-CG2 4.36Å; I911-V915 WeakPolarHBondContact O-CG2 3.32Å; I911-V915 PolarHBondContact O-N 3.23Å; F912-V915 PolarHBondContact O-N 3.37Å; V913-V915 VanDerWaalsContact C-N 3.3Å; V913-V915 PolarHBondContact O-N 3.35Å; V915-V919 WeakPolarHBondContact O-CB 3.39Å; V915-V919 WeakPolarHBondContact O-CG2 3.44Å; V915-L1143 HydrophobicContact CG2-CD2 3.88Å; V915-L1143 HydrophobicContact CG2-CG 4.26Å; V915-T1144 WeakPolarHBondContact CA-OG1 3.34Å
916F87.7Confident83.5Confident92 Ų9243.5 Ų43.540%0.40421%0.208SC..Hα-helixtrans-70.7-38.6-172.8-176.7-105.4000112.9F912 V919 L920F912-F916 HydrophobicContact CD1-CB 4.32Å; F912-F916 HydrophobicContact CE1-CB 4.03Å; F912-F916 AromaticContact CE1-CD1 3.94Å; F912-F916 HydrophobicContact CE1-CD1 3.94Å; F912-F916 AromaticContact CE1-CG 3.95Å; F912-F916 HydrophobicContact CE1-CG 3.95Å; F912-F916 HydrophobicContact CE2-CB 4.25Å; F912-F916 HydrophobicContact CE2-CD2 4.4Å; F912-F916 HydrophobicContact CE2-CG 4.34Å; F912-F916 HydrophobicContact CZ-CB 3.99Å; F912-F916 HydrophobicContact CZ-CD1 4.06Å; F912-F916 AromaticContact CZ-CD2 3.97Å; F912-F916 HydrophobicContact CZ-CD2 3.97Å; F912-F916 HydrophobicContact CZ-CE2 4.48Å; F912-F916 AromaticContact CZ-CG 3.74Å; F912-F916 HydrophobicContact CZ-CG 3.74Å; F912-F916 WeakPolarHBondContact O-CA 3.42Å; F912-F916 WeakPolarHBondContact O-CB 3.32Å; F912-F916 PolarHBondContact O-N 3.01Å; F916-V919 PolarHBondContact O-N 3.45Å; F916-L920 HydrophobicContact CD1-CB 4.44Å; F916-L920 HydrophobicContact CD1-CD2 4.48Å; F916-L920 HydrophobicContact CE1-CB 4.2Å; F916-L920 HydrophobicContact CE1-CD1 4.42Å; F916-L920 HydrophobicContact CE1-CD2 3.79Å; F916-L920 HydrophobicContact CE1-CG 4.37Å; F916-L920 HydrophobicContact CZ-CB 4.34Å; F916-L920 HydrophobicContact CZ-CD1 4.08Å; F916-L920 HydrophobicContact CZ-CD2 4.28Å; F916-L920 HydrophobicContact CZ-CG 4.47Å; F916-L920 WeakPolarHBondContact O-CB 3.38Å; F916-L920 PolarHBondContact O-N 3.19Å
917V86.4Confident83.9Confident15 Ų1543.6 Ų43.69%0.09121%0.213CC..Hα-helixtrans-62.8-54.9-175.6169.20000111.5L390 V913 V919 L920 F921L390-V917 HydrophobicContact CD1-CG2 4.41Å; L390-V917 HydrophobicContact CD2-CG1 3.85Å; V913-V917 HydrophobicContact CG1-CG2 3.78Å; V913-V917 VanDerWaalsContact O-CB 3.23Å; V913-V917 WeakPolarHBondContact O-CB 3.49Å; V913-V917 VanDerWaalsContact O-CG2 3.31Å; V913-V917 WeakPolarHBondContact O-CG2 3.5Å; V913-V917 PolarHBondContact O-N 2.8Å; V917-V919 VanDerWaalsContact C-N 3.3Å; V917-V919 PolarHBondContact O-N 3.05Å; V917-L920 PolarHBondContact O-N 3.29Å; V917-F921 HydrophobicContact CG1-CD2 3.94Å; V917-F921 HydrophobicContact CG1-CE2 3.94Å; V917-F921 VanDerWaalsContact O-CD2 3.28Å; V917-F921 WeakPolarHBondContact O-CD2 3.49Å; V917-F921 PolarHBondContact O-N 2.68Å; V917-F921 VanDerWaalsContact O-N 3.07Å
918P90.4Very high84Confident1 Ų142.5 Ų42.51%0.00621%0.207CC..Hα-helixtrans-59.8-41.4179.2-24.636.5000112.8Q914 F921 V922 M1099 T1144 I1148Q914-P918 VanDerWaalsContact O-CD 3.24Å; Q914-P918 WeakPolarHBondContact O-CD 3.47Å; P918-F921 PolarHBondContact O-N 2.65Å; P918-V922 WeakPolarHBondContact O-CG2 3.21Å; P918-V922 PolarHBondContact O-N 2.86Å; P918-V922 VanDerWaalsContact O-N 3.09Å; P918-M1099 HydrophobicContact CG-CB 3.6Å; P918-M1099 HydrophobicContact CG-CG 4.11Å; P918-M1099 HydrophobicContact CG-SD 3.77Å; P918-T1144 HydrophobicContact CB-CG2 3.73Å; P918-T1144 HydrophobicContact CG-CG2 3.82Å; P918-I1148 HydrophobicContact CB-CD1 4.05Å
919V92.3Very high83.9Confident24 Ų2434.8 Ų34.815%0.14518%0.18CC..Hα-helixtrans-61.5-45.8177.31730000111.1V915 F916 V917 F921 V922 V923 T1144 A1147 I1148 V1151V915-V919 WeakPolarHBondContact O-CB 3.39Å; V915-V919 WeakPolarHBondContact O-CG2 3.44Å; F916-V919 PolarHBondContact O-N 3.45Å; V917-V919 VanDerWaalsContact C-N 3.3Å; V917-V919 PolarHBondContact O-N 3.05Å; V919-F921 VanDerWaalsContact C-N 3.35Å; V919-F921 PolarHBondContact O-N 3.15Å; V919-V922 PolarHBondContact O-N 2.87Å; V919-V923 HydrophobicContact CG1-CG2 4.3Å; V919-V923 VanDerWaalsContact O-CG2 3.29Å; V919-V923 WeakPolarHBondContact O-CG2 3.07Å; V919-V923 PolarHBondContact O-N 3.13Å; V919-T1144 HydrophobicContact CG2-CG2 4.42Å; V919-A1147 HydrophobicContact CG2-CB 3.64Å; V919-I1148 HydrophobicContact CG2-CG1 4.12Å; V919-V1151 HydrophobicContact CG1-CG2 3.91Å
920L90.5Very high83.9Confident54 Ų5434.4 Ų34.428%0.28318%0.184SC..Hα-helixtrans-59.3-45.1178177.368.9000111.4W397 F916 V917 V922 V923 V924W397-L920 HydrophobicContact CH2-CD2 3.92Å; W397-L920 HydrophobicContact CH2-CG 4.02Å; W397-L920 HydrophobicContact CZ3-CD2 4.49Å; F916-L920 HydrophobicContact CD1-CB 4.44Å; F916-L920 HydrophobicContact CD1-CD2 4.48Å; F916-L920 HydrophobicContact CE1-CB 4.2Å; F916-L920 HydrophobicContact CE1-CD1 4.42Å; F916-L920 HydrophobicContact CE1-CD2 3.79Å; F916-L920 HydrophobicContact CE1-CG 4.37Å; F916-L920 HydrophobicContact CZ-CB 4.34Å; F916-L920 HydrophobicContact CZ-CD1 4.08Å; F916-L920 HydrophobicContact CZ-CD2 4.28Å; F916-L920 HydrophobicContact CZ-CG 4.47Å; F916-L920 WeakPolarHBondContact O-CB 3.38Å; F916-L920 PolarHBondContact O-N 3.19Å; V917-L920 PolarHBondContact O-N 3.29Å; L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.38Å; L920-V923 PolarHBondContact O-N 2.69Å; L920-V924 HydrophobicContact CD1-CG2 4.34Å; L920-V924 WeakPolarHBondContact O-CB 3.32Å; L920-V924 VanDerWaalsContact O-CG2 3.28Å; L920-V924 WeakPolarHBondContact O-CG2 3.32Å; L920-V924 PolarHBondContact O-N 3.05Å
921F89.7Confident83.4Confident4 Ų434.4 Ų34.42%0.01819%0.186CC..Hα-helixtrans-63.6-39.1178.9-87.6-97.2000112L390 W397 V917 P918 V919 V924 A925 N1091 F1094L390-F921 HydrophobicContact CD2-CE2 4.31Å; W397-F921 AromaticContact CE2-CD1 3.91Å; W397-F921 AromaticContact CE2-CE1 3.61Å; W397-F921 HydrophobicContact CH2-CD2 4.25Å; W397-F921 HydrophobicContact CH2-CE1 4.29Å; W397-F921 HydrophobicContact CH2-CE2 4.01Å; W397-F921 HydrophobicContact CH2-CZ 4.01Å; W397-F921 AromaticContact CZ2-CD1 3.42Å; W397-F921 HydrophobicContact CZ2-CD1 3.42Å; W397-F921 VanDerWaalsContact CZ2-CD1 3.42Å; W397-F921 AromaticContact CZ2-CD2 3.79Å; W397-F921 HydrophobicContact CZ2-CD2 3.79Å; W397-F921 AromaticContact CZ2-CE1 3.25Å; W397-F921 HydrophobicContact CZ2-CE1 3.25Å; W397-F921 AromaticContact CZ2-CE2 3.68Å; W397-F921 HydrophobicContact CZ2-CE2 3.68Å; W397-F921 AromaticContact CZ2-CG 3.68Å; W397-F921 HydrophobicContact CZ2-CG 3.68Å; W397-F921 AromaticContact CZ2-CZ 3.39Å; W397-F921 HydrophobicContact CZ2-CZ 3.39Å; W397-F921 AromaticContact NE1-CD1 3.81Å; W397-F921 AromaticContact NE1-CE1 3.6Å; V917-F921 HydrophobicContact CG1-CD2 3.94Å; V917-F921 HydrophobicContact CG1-CE2 3.94Å; V917-F921 VanDerWaalsContact O-CD2 3.28Å; V917-F921 WeakPolarHBondContact O-CD2 3.49Å; V917-F921 PolarHBondContact O-N 2.68Å; V917-F921 VanDerWaalsContact O-N 3.07Å; P918-F921 PolarHBondContact O-N 2.65Å; V919-F921 VanDerWaalsContact C-N 3.35Å; V919-F921 PolarHBondContact O-N 3.15Å; F921-V924 PolarHBondContact O-N 2.99Å; F921-A925 WeakPolarHBondContact O-CB 3.34Å; F921-A925 PolarHBondContact O-N 3.47Å; F921-N1091 HydrophobicContact CB-CB 4.39Å; F921-N1091 WeakPolarHBondContact CB-O 3.46Å; F921-N1091 HydrophobicContact CD1-CB 4.46Å; F921-F1094 HydrophobicContact CD1-CB 4.05Å; F921-F1094 AromaticContact CD1-CD1 3.49Å; F921-F1094 HydrophobicContact CD1-CD1 3.49Å; F921-F1094 VanDerWaalsContact CD1-CD1 3.49Å; F921-F1094 HydrophobicContact CD1-CE1 4.28Å; F921-F1094 AromaticContact CD1-CG 3.94Å; F921-F1094 HydrophobicContact CD1-CG 3.94Å; F921-F1094 HydrophobicContact CD2-CD1 4.33Å; F921-F1094 HydrophobicContact CE1-CB 4.26Å; F921-F1094 AromaticContact CE1-CD1 2.99Å; F921-F1094 HydrophobicContact CE1-CD1 2.99Å; F921-F1094 HydrophobicContact CE1-CD2 4.4Å; F921-F1094 AromaticContact CE1-CE1 3.36Å; F921-F1094 HydrophobicContact CE1-CE1 3.36Å; F921-F1094 AromaticContact CE1-CG 3.64Å; F921-F1094 HydrophobicContact CE1-CG 3.64Å; F921-F1094 HydrophobicContact CE1-CZ 4.28Å; F921-F1094 AromaticContact CE2-CD1 3.92Å; F921-F1094 HydrophobicContact CE2-CD1 3.92Å; F921-F1094 AromaticContact CE2-CE1 3.99Å; F921-F1094 HydrophobicContact CE2-CE1 3.99Å; F921-F1094 HydrophobicContact CG-CD1 4.16Å; F921-F1094 AromaticContact CZ-CD1 3.25Å; F921-F1094 HydrophobicContact CZ-CD1 3.25Å; F921-F1094 AromaticContact CZ-CE1 3.18Å; F921-F1094 HydrophobicContact CZ-CE1 3.18Å; F921-F1094 HydrophobicContact CZ-CG 4.3Å; F921-F1094 HydrophobicContact CZ-CZ 4.23Å
922V89.6Confident82.5Confident1 Ų132.9 Ų32.91%0.00618%0.179CC..Hα-helixtrans-68-44.3175.2174.20000111.5P918 V919 L920 V924 A925 I926 L1092 I1148 V1151 F1152P918-V922 WeakPolarHBondContact O-CG2 3.21Å; P918-V922 PolarHBondContact O-N 2.86Å; P918-V922 VanDerWaalsContact O-N 3.09Å; V919-V922 PolarHBondContact O-N 2.87Å; L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.38Å; V922-V924 VanDerWaalsContact C-N 3.31Å; V922-V924 PolarHBondContact O-N 3.08Å; V922-A925 WeakPolarHBondContact O-CB 3.48Å; V922-A925 PolarHBondContact O-N 3.35Å; V922-I926 HydrophobicContact CG1-CD1 3.82Å; V922-I926 HydrophobicContact CG1-CG1 4.45Å; V922-I926 WeakPolarHBondContact O-CG1 3.42Å; V922-I926 PolarHBondContact O-N 3.03Å; V922-L1092 HydrophobicContact CG2-CB 4.49Å; V922-L1092 HydrophobicContact CG2-CD1 3.39Å; V922-I1148 HydrophobicContact CG1-CG2 4.42Å; V922-I1148 HydrophobicContact CG2-CD1 4.45Å; V922-I1148 HydrophobicContact CG2-CG1 4.3Å; V922-I1148 HydrophobicContact CG2-CG2 4.27Å; V922-V1151 HydrophobicContact CG1-CG1 4.05Å; V922-F1152 HydrophobicContact CG1-CD1 4.19Å; V922-F1152 HydrophobicContact CG1-CE1 3.45Å; V922-F1152 VanDerWaalsContact CG1-CE1 3.45Å; V922-F1152 HydrophobicContact CG1-CZ 3.91Å
923V90.1Very high81.2Confident33 Ų3331 Ų3120%0.218%0.177CC..Hα-helixtrans-58.9-44.9175.5169.70000110.4V919 L920 A925 I926 L927 V1151 F1155V919-V923 HydrophobicContact CG1-CG2 4.3Å; V919-V923 VanDerWaalsContact O-CG2 3.29Å; V919-V923 WeakPolarHBondContact O-CG2 3.07Å; V919-V923 PolarHBondContact O-N 3.13Å; L920-V923 PolarHBondContact O-N 2.69Å; V923-A925 PolarHBondContact O-N 3.16Å; V923-I926 PolarHBondContact O-N 3.25Å; V923-L927 HydrophobicContact CG1-CD1 3.83Å; V923-L927 HydrophobicContact CG1-CG 4.25Å; V923-L927 WeakPolarHBondContact O-CB 3.35Å; V923-L927 VanDerWaalsContact O-CG 3.24Å; V923-L927 WeakPolarHBondContact O-CG 3.44Å; V923-L927 PolarHBondContact O-N 3.45Å; V923-V1151 HydrophobicContact CG2-CG1 3.72Å; V923-V1151 HydrophobicContact CG2-CG2 3.9Å; V923-F1155 HydrophobicContact CG1-CE2 4.32Å; V923-F1155 HydrophobicContact CG1-CZ 4.15Å; V923-F1155 HydrophobicContact CG2-CE2 4.25Å
924V86.7Confident79.9Confident15 Ų1534.2 Ų34.29%0.09119%0.193CC..Hα-helixtrans-62.3-43.4176.41710000111W397 F401 L920 F921 V922 I926 L927 V928W397-V924 HydrophobicContact CB-CG1 4.44Å; W397-V924 HydrophobicContact CD2-CG1 3.83Å; W397-V924 HydrophobicContact CD2-CG2 4.5Å; W397-V924 HydrophobicContact CE3-CG1 4.31Å; W397-V924 HydrophobicContact CE3-CG2 4.3Å; W397-V924 HydrophobicContact CG-CG1 3.92Å; W397-V924 HydrophobicContact CH2-CG2 3.95Å; W397-V924 HydrophobicContact CZ2-CB 4.25Å; W397-V924 HydrophobicContact CZ2-CG1 4.32Å; W397-V924 HydrophobicContact CZ2-CG2 4.13Å; W397-V924 HydrophobicContact CZ3-CG2 4.04Å; F401-V924 HydrophobicContact CE2-CG1 4.06Å; F401-V924 HydrophobicContact CZ-CG1 4.29Å; L920-V924 HydrophobicContact CD1-CG2 4.34Å; L920-V924 WeakPolarHBondContact O-CB 3.32Å; L920-V924 VanDerWaalsContact O-CG2 3.28Å; L920-V924 WeakPolarHBondContact O-CG2 3.32Å; L920-V924 PolarHBondContact O-N 3.05Å; F921-V924 PolarHBondContact O-N 2.99Å; V922-V924 VanDerWaalsContact C-N 3.31Å; V922-V924 PolarHBondContact O-N 3.08Å; V924-I926 VanDerWaalsContact C-N 3.33Å; V924-I926 PolarHBondContact O-N 3.41Å; V924-L927 PolarHBondContact O-N 3.16Å; V924-V928 HydrophobicContact CG1-CG2 4.35Å; V924-V928 VanDerWaalsContact O-CG2 3.31Å; V924-V928 WeakPolarHBondContact O-CG2 3.18Å; V924-V928 PolarHBondContact O-N 3.09Å
925A84.8Confident78.5Confident0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-59.1-44.717700000112.2F921 V922 V923 V928 N929 N1087 I1088 N1091F921-A925 WeakPolarHBondContact O-CB 3.34Å; F921-A925 PolarHBondContact O-N 3.47Å; V922-A925 WeakPolarHBondContact O-CB 3.48Å; V922-A925 PolarHBondContact O-N 3.35Å; V923-A925 PolarHBondContact O-N 3.16Å; A925-V928 PolarHBondContact O-N 2.85Å; A925-N929 WeakPolarHBondContact O-CB 3.49Å; A925-N929 PolarHBondContact O-N 3.05Å; A925-N929 PolarHBondContact O-OD1 3.26Å; A925-N1087 WeakPolarHBondContact CA-OD1 2.93Å; A925-N1087 VanDerWaalsContact CB-OD1 3.31Å; A925-N1087 WeakPolarHBondContact CB-OD1 3.33Å; A925-I1088 HydrophobicContact CB-CG1 4.49Å; A925-N1091 HydrophobicContact CB-CB 3.76Å
926I85.1Confident77Confident11 Ų1139.8 Ų39.86%0.05622%0.216CC..Hα-helixtrans-67-40.3176.9-63.6165000111V922 V923 V924 N929 S930 V1151 F1152 F1155 V1157V922-I926 HydrophobicContact CG1-CD1 3.82Å; V922-I926 HydrophobicContact CG1-CG1 4.45Å; V922-I926 WeakPolarHBondContact O-CG1 3.42Å; V922-I926 PolarHBondContact O-N 3.03Å; V923-I926 PolarHBondContact O-N 3.25Å; V924-I926 VanDerWaalsContact C-N 3.33Å; V924-I926 PolarHBondContact O-N 3.41Å; I926-N929 PolarHBondContact O-N 3.34Å; I926-S930 WeakPolarHBondContact O-CB 3.21Å; I926-S930 PolarHBondContact O-N 2.68Å; I926-S930 PolarHBondContact O-OG 3.26Å; I926-V1151 HydrophobicContact CD1-CG1 3.58Å; I926-F1152 HydrophobicContact CD1-CD1 3.78Å; I926-F1152 HydrophobicContact CD1-CE1 4.01Å; I926-F1155 HydrophobicContact CD1-CB 4.36Å; I926-F1155 HydrophobicContact CD1-CD2 4.22Å; I926-F1155 HydrophobicContact CD1-CG 4.45Å; I926-F1155 HydrophobicContact CG2-CB 3.58Å; I926-F1155 HydrophobicContact CG2-CD1 3.69Å; I926-F1155 HydrophobicContact CG2-CD2 4.26Å; I926-F1155 HydrophobicContact CG2-CE1 4.42Å; I926-F1155 HydrophobicContact CG2-CG 3.59Å; I926-V1157 HydrophobicContact CD1-CG2 4.08Å; I926-V1157 HydrophobicContact CG1-CG2 4.27Å; I926-V1157 HydrophobicContact CG2-CG2 4.36Å
927L83.2Confident75.7Confident68 Ų6846.4 Ų46.436%0.35624%0.239SC..Hα-helixtrans-61.8-45.1175.3-74.2171.4000111.2F401 V923 V924 N929 S930 T931 F1155F401-L927 HydrophobicContact CE1-CB 4.28Å; F401-L927 HydrophobicContact CZ-CB 4.18Å; V923-L927 HydrophobicContact CG1-CD1 3.83Å; V923-L927 HydrophobicContact CG1-CG 4.25Å; V923-L927 WeakPolarHBondContact O-CB 3.35Å; V923-L927 VanDerWaalsContact O-CG 3.24Å; V923-L927 WeakPolarHBondContact O-CG 3.44Å; V923-L927 PolarHBondContact O-N 3.45Å; V924-L927 PolarHBondContact O-N 3.16Å; L927-N929 VanDerWaalsContact C-N 3.29Å; L927-N929 PolarHBondContact O-N 3.1Å; L927-S930 WeakPolarHBondContact CA-OG 3.46Å; L927-S930 PolarHBondContact O-N 2.87Å; L927-S930 PolarHBondContact O-OG 3.47Å; L927-T931 WeakPolarHBondContact O-CG2 3.48Å; L927-T931 PolarHBondContact O-N 3.24Å; L927-T931 VanDerWaalsContact O-N 3.11Å; L927-T931 PolarHBondContact O-OG1 3.05Å; L927-F1155 HydrophobicContact CD2-CE1 4.12Å
928V76.2Confident75.1Confident3 Ų346.9 Ų46.92%0.01824%0.242CC..Hα-helixtrans-53.7-51.9173.3173.40000109.4F400 F401 V924 A925 S930 T931 L932F400-V928 HydrophobicContact CB-CG1 4.32Å; F400-V928 HydrophobicContact CB-CG2 4.24Å; F401-V928 HydrophobicContact CD1-CB 4.31Å; F401-V928 HydrophobicContact CD1-CG2 3.84Å; F401-V928 HydrophobicContact CD2-CG2 3.65Å; F401-V928 VanDerWaalsContact CE1-CA 3.41Å; F401-V928 HydrophobicContact CE1-CB 4.06Å; F401-V928 HydrophobicContact CE1-CG2 3.55Å; F401-V928 HydrophobicContact CE2-CG2 3.32Å; F401-V928 HydrophobicContact CG-CG2 3.9Å; F401-V928 HydrophobicContact CZ-CB 4.2Å; F401-V928 HydrophobicContact CZ-CG2 3.27Å; V924-V928 HydrophobicContact CG1-CG2 4.35Å; V924-V928 VanDerWaalsContact O-CG2 3.31Å; V924-V928 WeakPolarHBondContact O-CG2 3.18Å; V924-V928 PolarHBondContact O-N 3.09Å; A925-V928 PolarHBondContact O-N 2.85Å; V928-S930 PolarHBondContact O-N 3.24Å; V928-T931 PolarHBondContact O-N 3.23Å; V928-T931 VanDerWaalsContact O-N 3.12Å; V928-T931 PolarHBondContact O-OG1 3.4Å; V928-L932 PolarHBondContact O-N 3.31Å
929N71.6Confident74.7Confident24 Ų2449.9 Ų49.913%0.12826%0.261CS..Hα-helixtrans-62.3-42.7-178.5-68.7-5.9000112.7A925 I926 L927 T931 L932 T1084 I1088A925-N929 WeakPolarHBondContact O-CB 3.49Å; A925-N929 PolarHBondContact O-N 3.05Å; A925-N929 PolarHBondContact O-OD1 3.26Å; I926-N929 PolarHBondContact O-N 3.34Å; L927-N929 VanDerWaalsContact C-N 3.29Å; L927-N929 PolarHBondContact O-N 3.1Å; N929-T931 PolarHBondContact O-N 3.46Å; N929-L932 WeakPolarHBondContact O-CB 3.19Å; N929-L932 WeakPolarHBondContact O-CG 3.27Å; N929-L932 PolarHBondContact O-N 2.95Å; N929-L932 VanDerWaalsContact O-N 3.15Å; N929-T1084 HydrophobicContact CB-CG2 3.98Å; N929-T1084 PolarHBondContact ND2-O 2.76Å; N929-I1088 WeakPolarHBondContact ND2-CD1 3.37Å; N929-I1088 VanDerWaalsContact ND2-CG1 3.34Å; N929-I1088 WeakPolarHBondContact ND2-CG1 3.35Å
930S71.7Confident74.5Confident76 Ų7652.3 Ų52.353%0.53128%0.277SS..Hα-helixtrans-65.5-19.4177.971.30000113.5I926 L927 V928I926-S930 WeakPolarHBondContact O-CB 3.21Å; I926-S930 PolarHBondContact O-N 2.68Å; I926-S930 PolarHBondContact O-OG 3.26Å; L927-S930 WeakPolarHBondContact CA-OG 3.46Å; L927-S930 PolarHBondContact O-N 2.87Å; L927-S930 PolarHBondContact O-OG 3.47Å; V928-S930 PolarHBondContact O-N 3.24Å
931T65.2Low74.5Confident46 Ų4650.6 Ų50.628%0.28227%0.268SS..THydrogen-bonded Turntrans-97.9-3.9179.270.10000113F401 R405 L927 V928 N929F401-T931 HydrophobicContact CE1-CG2 4.43Å; R405-T931 PolarHBondContact NE-O 3.22Å; R405-T931 PolarHBondContact NH1-O 3.3Å; R405-T931 PolarHBondContact NH2-O 2.87Å; R405-T931 PolarHBondContact NH2-OG1 3.45Å; R405-T931 VanDerWaalsContact NH2-OG1 3.07Å; L927-T931 WeakPolarHBondContact O-CG2 3.48Å; L927-T931 PolarHBondContact O-N 3.24Å; L927-T931 VanDerWaalsContact O-N 3.11Å; L927-T931 PolarHBondContact O-OG1 3.05Å; V928-T931 PolarHBondContact O-N 3.23Å; V928-T931 VanDerWaalsContact O-N 3.12Å; V928-T931 PolarHBondContact O-OG1 3.4Å; N929-T931 PolarHBondContact O-N 3.46Å
932L61.3Low74.7Confident20 Ų2053.3 Ų53.311%0.10529%0.285CS..SBendtrans-55.3140.5167.3-67.5170.6000108.1P404 V928 N929 D934 T1084P404-L932 HydrophobicContact CB-CD2 3.56Å; P404-L932 HydrophobicContact CG-CD2 3.65Å; V928-L932 PolarHBondContact O-N 3.31Å; N929-L932 WeakPolarHBondContact O-CB 3.19Å; N929-L932 WeakPolarHBondContact O-CG 3.27Å; N929-L932 PolarHBondContact O-N 2.95Å; N929-L932 VanDerWaalsContact O-N 3.15Å; L932-D934 PolarHBondContact O-N 3.41Å; L932-T1084 HydrophobicContact CD1-CG2 3.37Å
933P54.1Low74.8Confident70 Ų7053.3 Ų53.346%0.45529%0.285SS..  trans-56.1116.4-178.821.6-30.1000109.3R405 N935R405-P933 HydrophobicContact CG-CG 4.44Å; P933-N935 PolarHBondContact O-N 3.38Å
934D51.8Low74.7Confident114 Ų11453 Ų5361%0.6129%0.285SS*.  trans-59.9107.2164.6-93.1-4.9000105.9L932 K936L932-D934 PolarHBondContact O-N 3.41Å; D934-K936 HydrophobicContact CB-CB 4.41Å; D934-K936 HydrophobicContact CB-CD 4.41Å; D934-K936 HydrophobicContact CB-CG 4.24Å; D934-K936 PolarHBondContact O-N 3.47Å; D934-K936 IonicContact OD2-NZ 2.63Å
935N52.6Low74.7Confident44 Ų4452.4 Ų52.424%0.23528%0.281CS..THydrogen-bonded Turntrans-64.113.4175.1-82.1-4.2000112.9P933 R937 N1077 E1080P933-N935 PolarHBondContact O-N 3.38Å; N935-R937 VanDerWaalsContact C-N 3.27Å; N935-R937 PolarHBondContact O-N 2.99Å; N935-N1077 HydrophobicContact CB-CB 3.82Å; N935-N1077 PolarHBondContact ND2-OD1 2.87Å; N935-N1077 VanDerWaalsContact ND2-OD1 3.08Å; N935-E1080 PolarHBondContact ND2-OE2 2.86Å
936K57Low74.8Confident120 Ų12057 Ų5752%0.52231%0.305SS..THydrogen-bonded Turntrans-60.8-27.9-178.4-71.4-177.2-179.1169.10113.9D934 P1069D934-K936 HydrophobicContact CB-CB 4.41Å; D934-K936 HydrophobicContact CB-CD 4.41Å; D934-K936 HydrophobicContact CB-CG 4.24Å; D934-K936 PolarHBondContact O-N 3.47Å; D934-K936 IonicContact OD2-NZ 2.63Å; K936-P1069 WeakPolarHBondContact O-CD 3.42Å; K936-P1069 VanDerWaalsContact O-CG 3.29Å; K936-P1069 WeakPolarHBondContact O-CG 3.48Å
937R60.6Low74.8Confident232 Ų23258 Ų5888%0.87531%0.313SS*.  trans-142.9106.3177.5-68.6-173.1-179.2173.7-0.1111.2N935N935-R937 VanDerWaalsContact C-N 3.27Å; N935-R937 PolarHBondContact O-N 2.99Å
938T72.1Confident74.9Confident25 Ų2555.5 Ų55.515%0.15330%0.299CS..PPolyproline II helixtrans-78.4132.717144.70000109.7T195T195-T938 WeakPolarHBondContact OG1-CB 3.03Å
939P82.2Confident74.9Confident63 Ų6361.5 Ų61.541%0.40933%0.325SS..PPolyproline II helixtrans-70.2155.2179.529.5-34.6000111.1T195T195-P939 WeakPolarHBondContact CB-O 3.44Å; T195-P939 PolarHBondContact OG1-O 3.34Å
940P88.5Confident75.5Confident75 Ų7566 Ų6649%0.48735%0.349SS..PPolyproline II helixtrans-65.7140.6169.327.6-33.1000110.6I1063 N1064 H1065P940-I1063 HydrophobicContact CB-CG2 3.85Å; P940-N1064 WeakPolarHBondContact CA-O 3.34Å; P940-H1065 HydrophobicContact CB-CB 4.06Å
941L91.5Very high76.3Confident18 Ų1862.5 Ų62.59%0.09433%0.325CS..EExtended strand (participates in β ladder)trans-120.8124.4175.1177.172.5000110.8T195 L198 L943 H1032 I1063 N1064T195-L941 HydrophobicContact CG2-CB 4.03Å; L198-L941 HydrophobicContact CD2-CD1 3.78Å; L198-L941 HydrophobicContact CD2-CD2 4.5Å; L941-L943 HydrophobicContact CD2-CD2 4.03Å; L941-L943 HydrophobicContact CG-CD2 4.44Å; L941-L943 PolarHBondContact O-N 2.98Å; L941-H1032 HydrophobicContact CD2-CB 3.93Å; L941-H1032 WeakPolarHBondContact CD2-CD2 3.47Å; L941-H1032 WeakPolarHBondContact CD2-NE2 3.37Å; L941-I1063 CarbonylContact O-C 3.58Å; L941-I1063 WeakPolarHBondContact O-CA 3.47Å; L941-I1063 WeakPolarHBondContact O-CG2 3.28Å; L941-N1064 PolarHBondContact N-O 2.97Å; L941-N1064 PolarHBondContact O-N 3.45Å
942T92.4Very high77.5Confident61 Ų6161.6 Ų61.637%0.37432%0.318SS..EExtended strand (participates in β ladder)trans-71.4120.6169.743.40000110.2S944 S947 T1061 I1063T942-S944 VanDerWaalsContact C-N 3.26Å; T942-S944 PolarHBondContact O-N 3.15Å; T942-S947 PolarHBondContact O-OG 3.11Å; T942-S947 PolarHBondContact OG1-OG 3.38Å; T942-T1061 HydrophobicContact CG2-CG2 4.45Å; T942-I1063 HydrophobicContact CG2-CD1 4.39Å; T942-I1063 HydrophobicContact CG2-CG1 4.05Å
943L91.9Very high78.9Confident2 Ų260.6 Ų60.61%0.0131%0.313CS..  trans-86.369-178.4-60.3170.5000110.1F225 L941 H1032 P1035 N1039 T1062 N1064F225-L943 HydrophobicContact CE1-CD1 3.43Å; F225-L943 VanDerWaalsContact CE1-CD1 3.43Å; F225-L943 HydrophobicContact CZ-CD1 3.42Å; F225-L943 VanDerWaalsContact CZ-CD1 3.42Å; L941-L943 HydrophobicContact CD2-CD2 4.03Å; L941-L943 HydrophobicContact CG-CD2 4.44Å; L941-L943 PolarHBondContact O-N 2.98Å; L943-H1032 HydrophobicContact CD2-CB 4.16Å; L943-P1035 HydrophobicContact CD1-CB 3.88Å; L943-P1035 HydrophobicContact CD1-CG 4.3Å; L943-P1035 HydrophobicContact CD2-CB 4.31Å; L943-P1035 HydrophobicContact CD2-CG 3.83Å; L943-P1035 HydrophobicContact CG-CB 4.48Å; L943-N1039 PolarHBondContact O-ND2 3.27Å; L943-T1062 WeakPolarHBondContact CB-O 3.33Å; L943-T1062 HydrophobicContact CD1-CG2 4.05Å; L943-T1062 PolarHBondContact N-O 3.05Å; L943-N1064 HydrophobicContact CD1-CB 3.98Å; L943-N1064 HydrophobicContact CD2-CB 4.15Å; L943-N1064 HydrophobicContact CG-CB 4.19Å
944S88.4Confident80.6Confident26 Ų2657.4 Ų57.418%0.18229%0.292CS..SBendtrans-132.3154.4176.3176.90000110.3T942 D946 S947T942-S944 VanDerWaalsContact C-N 3.26Å; T942-S944 PolarHBondContact O-N 3.15Å; S944-D946 PolarHBondContact O-N 3.44Å; S944-D946 PolarHBondContact OG-N 3.43Å; S944-D946 VanDerWaalsContact OG-N 3.14Å; S944-D946 PolarHBondContact OG-OD2 2.94Å; S944-S947 WeakPolarHBondContact O-CB 3.15Å; S944-S947 PolarHBondContact O-N 2.87Å; S944-S947 VanDerWaalsContact O-N 3.1Å; S944-S947 PolarHBondContact O-OG 3.05Å
945V87.7Confident82.6Confident2 Ų252 Ų521%0.01226%0.263CS..G310 helixtrans-57.9-29.1168.6-174.40000111.5S947 Y948 T951 F972 I1008V945-S947 PolarHBondContact O-N 3.37Å; V945-S947 VanDerWaalsContact O-N 3.13Å; V945-Y948 WeakPolarHBondContact O-CB 3.07Å; V945-Y948 PolarHBondContact O-N 2.93Å; V945-T951 HydrophobicContact CG1-CG2 3.81Å; V945-T951 WeakPolarHBondContact CG1-OG1 3.02Å; V945-F972 HydrophobicContact CB-CD1 4.37Å; V945-F972 HydrophobicContact CB-CE1 4.19Å; V945-F972 HydrophobicContact CG2-CD1 4.42Å; V945-F972 HydrophobicContact CG2-CE1 3.76Å; V945-I1008 HydrophobicContact CG2-CD1 3.28Å; V945-I1008 HydrophobicContact CG2-CG1 3.74Å
946D85.4Confident84.5Confident96 Ų9652 Ų5251%0.51326%0.26SS..G310 helixtrans-63.1-18.4176.7-54.5-61.1000113.3S944 Y948 H976S944-D946 PolarHBondContact O-N 3.44Å; S944-D946 PolarHBondContact OG-N 3.43Å; S944-D946 VanDerWaalsContact OG-N 3.14Å; S944-D946 PolarHBondContact OG-OD2 2.94Å; D946-Y948 PolarHBondContact O-N 3.08Å; D946-H976 IonicContact OD1-CD2 2.71Å; D946-H976 IonicContact OD1-NE2 3.77Å; D946-H976 PolarHBondContact OD1-NE2 3.34Å
947S85.9Confident86.2Confident32 Ų3248 Ų4822%0.22424%0.242CC..G310 helixtrans-73.3-15.8175.5-53.40000112.1L198 T942 S944 V945L198-S947 WeakPolarHBondContact CD1-O 3.25Å; T942-S947 PolarHBondContact O-OG 3.11Å; T942-S947 PolarHBondContact OG1-OG 3.38Å; S944-S947 WeakPolarHBondContact O-CB 3.15Å; S944-S947 PolarHBondContact O-N 2.87Å; S944-S947 VanDerWaalsContact O-N 3.1Å; S944-S947 PolarHBondContact O-OG 3.05Å; V945-S947 PolarHBondContact O-N 3.37Å; V945-S947 VanDerWaalsContact O-N 3.13Å
948Y84.5Confident87.6Confident16 Ų1638.4 Ų38.46%0.06321%0.208CC..SBendtrans-94.5171.5175.4-58.6-89.2000110.7L198 F199 V945 D946 I1007 P1030 H1032 A1033L198-Y948 HydrophobicContact CB-CD1 4.34Å; L198-Y948 HydrophobicContact CB-CE1 3.92Å; L198-Y948 HydrophobicContact CD1-CD1 4.14Å; L198-Y948 HydrophobicContact CD1-CE1 4.41Å; L198-Y948 HydrophobicContact CD2-CE1 4.16Å; L198-Y948 HydrophobicContact CG-CE1 4.39Å; F199-Y948 HydrophobicContact CE2-CD1 4.11Å; F199-Y948 HydrophobicContact CE2-CE1 4.31Å; F199-Y948 HydrophobicContact CZ-CD1 4.07Å; F199-Y948 HydrophobicContact CZ-CE1 4.26Å; V945-Y948 WeakPolarHBondContact O-CB 3.07Å; V945-Y948 PolarHBondContact O-N 2.93Å; D946-Y948 PolarHBondContact O-N 3.08Å; Y948-I1007 HydrophobicContact CD1-CD1 3.93Å; Y948-I1007 HydrophobicContact CD1-CG1 4.23Å; Y948-I1007 HydrophobicContact CD1-CG2 4.5Å; Y948-I1007 HydrophobicContact CD2-CG2 4.12Å; Y948-I1007 HydrophobicContact CE1-CD1 4.31Å; Y948-I1007 HydrophobicContact CE1-CG2 4.32Å; Y948-I1007 HydrophobicContact CE2-CG2 3.89Å; Y948-I1007 HydrophobicContact CG-CD1 4.32Å; Y948-I1007 HydrophobicContact CG-CG1 4.11Å; Y948-I1007 HydrophobicContact CG-CG2 4.4Å; Y948-P1030 HydrophobicContact CE1-CB 3.7Å; Y948-H1032 PolarHBondContact OH-O 3.17Å; Y948-A1033 PolarHBondContact OH-N 2.96Å
949F77.4Confident88.1Confident129 Ų12944.6 Ų44.657%0.56624%0.24SC*.SBendtrans-71.1-170.5173.8-59.3-78000111.2T951F949-T951 WeakPolarHBondContact O-CG2 3.37Å; F949-T951 PolarHBondContact O-N 2.83Å
950N83.7Confident88.2Confident119 Ų11948.7 Ų48.764%0.63625%0.254SS*.SBendtrans-54.1114.8175.2-62.90.1000110.6
951T87.9Confident88.1Confident2 Ų245.3 Ų45.31%0.01223%0.232CC..  trans-109.1158.1-176.263.80000111.6V945 F949 H976 V977 M1005 I1007V945-T951 HydrophobicContact CG1-CG2 3.81Å; V945-T951 WeakPolarHBondContact CG1-OG1 3.02Å; F949-T951 WeakPolarHBondContact O-CG2 3.37Å; F949-T951 PolarHBondContact O-N 2.83Å; T951-H976 PolarHBondContact N-ND1 3.45Å; T951-H976 CarbonylContact O-C 3.52Å; T951-H976 WeakPolarHBondContact O-CA 3.42Å; T951-H976 PolarHBondContact OG1-ND1 2.95Å; T951-V977 PolarHBondContact O-N 3.28Å; T951-M1005 CarbonylContact C-O 3.53Å; T951-M1005 WeakPolarHBondContact CA-O 3.45Å; T951-M1005 WeakPolarHBondContact CB-O 3.39Å; T951-I1007 HydrophobicContact CG2-CB 4.39Å; T951-I1007 HydrophobicContact CG2-CG1 3.54Å
952I90.2Very high87.8Confident27 Ų2747.4 Ų47.414%0.13825%0.246CC..EExtended strand (participates in β ladder)trans-108.8119.9168.2-58.6170.1000106.6V977 D979 L997 M1005I952-V977 CarbonylContact C-O 3.53Å; I952-V977 VanDerWaalsContact CA-O 3.3Å; I952-V977 WeakPolarHBondContact CA-O 3.24Å; I952-V977 HydrophobicContact CG1-CB 4.45Å; I952-D979 HydrophobicContact CG2-CB 3.91Å; I952-L997 HydrophobicContact CD1-CD1 4.49Å; I952-M1005 HydrophobicContact CD1-CB 4.09Å; I952-M1005 HydrophobicContact CD1-SD 4.04Å; I952-M1005 HydrophobicContact CG1-CB 4.18Å; I952-M1005 PolarHBondContact N-O 3.18Å
953V90.7Very high87.5Confident0 Ų047.3 Ų47.30%025%0.251CS..EExtended strand (participates in β ladder)trans-104.7109.1178.4-179.80000108.3Y968 F972 V977 V978 D979 I1008V953-Y968 HydrophobicContact CG1-CE1 3.96Å; V953-F972 HydrophobicContact CB-CE2 4.42Å; V953-F972 HydrophobicContact CG1-CE2 3.87Å; V953-F972 HydrophobicContact CG1-CZ 4.09Å; V953-F972 HydrophobicContact CG2-CD2 4.48Å; V953-F972 HydrophobicContact CG2-CE1 4.41Å; V953-F972 HydrophobicContact CG2-CE2 4.36Å; V953-F972 HydrophobicContact CG2-CZ 4.32Å; V953-V977 PolarHBondContact N-O 2.81Å; V953-V978 WeakPolarHBondContact O-CA 3.3Å; V953-D979 PolarHBondContact O-N 3.36Å; V953-I1008 HydrophobicContact CG1-CG1 4.23Å; V953-I1008 HydrophobicContact CG2-CG1 4.27Å
954G91Very high87.4Confident2 Ų247.4 Ų47.42%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-71.5135.7174.900000110.8A1009 A1010G954-A1009 CarbonylContact O-C 3.57Å; G954-A1009 WeakPolarHBondContact O-CA 3.38Å; G954-A1009 WeakPolarHBondContact O-CB 3.46Å; G954-A1010 PolarHBondContact O-N 2.94Å
955L92.9Very high87.4Confident0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-143.8125-174.5-177.259.3000112W957 Y968 A969 V978 D979 K980 L981 A1010L955-W957 HydrophobicContact CD1-CE3 4.45Å; L955-W957 HydrophobicContact CD2-CE3 3.94Å; L955-W957 HydrophobicContact CD2-CZ3 3.5Å; L955-W957 HydrophobicContact CG-CE3 3.71Å; L955-W957 HydrophobicContact CG-CZ3 3.67Å; L955-Y968 HydrophobicContact CD1-CD1 3.48Å; L955-Y968 VanDerWaalsContact CD1-CD1 3.48Å; L955-Y968 HydrophobicContact CD1-CE1 3.85Å; L955-Y968 HydrophobicContact CD1-CG 4.22Å; L955-Y968 HydrophobicContact CD2-CD1 3.85Å; L955-Y968 HydrophobicContact CG-CD1 4.26Å; L955-A969 HydrophobicContact CD2-CB 3.67Å; L955-V978 HydrophobicContact CB-CG1 3.97Å; L955-V978 HydrophobicContact CD2-CG1 3.64Å; L955-V978 HydrophobicContact CG-CG1 4.49Å; L955-D979 PolarHBondContact N-O 2.8Å; L955-K980 CarbonylContact O-C 3.58Å; L955-K980 WeakPolarHBondContact O-CA 3.43Å; L955-L981 PolarHBondContact O-N 2.75Å; L955-A1010 WeakPolarHBondContact CA-O 3.46Å; L955-A1010 HydrophobicContact CD1-CB 3.98Å
956Y93.1Very high87.6Confident45 Ų4552 Ų5218%0.17627%0.269CS..EExtended strand (participates in β ladder)trans-123139.9174.1176.2-97000110.1S983 D984 A1010 A1011 M1012 H1013Y956-S983 VanDerWaalsContact CD2-C 3.49Å; Y956-D984 HydrophobicContact CD1-CB 3.82Å; Y956-D984 HydrophobicContact CE1-CB 3.61Å; Y956-D984 HydrophobicContact CE2-CB 4.32Å; Y956-D984 HydrophobicContact CG-CB 4.28Å; Y956-A1010 PolarHBondContact N-O 3.39Å; Y956-A1011 HydrophobicContact CD1-CB 4.28Å; Y956-A1011 CarbonylContact O-C 3.47Å; Y956-A1011 WeakPolarHBondContact O-CA 3.28Å; Y956-M1012 PolarHBondContact O-N 3.34Å; Y956-H1013 AromaticContact CD1-CE1 3.94Å; Y956-H1013 AromaticContact CE1-CE1 3.42Å; Y956-H1013 VanDerWaalsContact CE1-CE1 3.42Å; Y956-H1013 WeakPolarHBondContact CE1-CE1 3.44Å; Y956-H1013 AromaticContact CE1-ND1 3.94Å
957W92.1Very high87.8Confident37 Ų3748.9 Ų48.914%0.1425%0.252CS..EExtended strand (participates in β ladder)trans-145.5144.8168.263.689.2000109.6L955 K980 M1012L955-W957 HydrophobicContact CD1-CE3 4.45Å; L955-W957 HydrophobicContact CD2-CE3 3.94Å; L955-W957 HydrophobicContact CD2-CZ3 3.5Å; L955-W957 HydrophobicContact CG-CE3 3.71Å; L955-W957 HydrophobicContact CG-CZ3 3.67Å; W957-K980 HydrophobicContact CE3-CG 4.43Å; W957-K980 HydrophobicContact CH2-CB 4.49Å; W957-K980 HydrophobicContact CH2-CD 3.44Å; W957-K980 VanDerWaalsContact CH2-CD 3.44Å; W957-K980 HydrophobicContact CH2-CG 3.83Å; W957-K980 HydrophobicContact CZ2-CD 3.68Å; W957-K980 HydrophobicContact CZ2-CG 4.43Å; W957-K980 HydrophobicContact CZ3-CB 4.44Å; W957-K980 HydrophobicContact CZ3-CD 3.94Å; W957-K980 HydrophobicContact CZ3-CG 3.79Å; W957-M1012 WeakPolarHBondContact CA-O 3.49Å; W957-M1012 HydrophobicContact CB-CB 4.14Å
958D89.3Confident88.1Confident30 Ų3047.4 Ų47.416%0.1624%0.241CC..  trans-75167168.464.113.2000111.9E960 S961 M1012 H1013 A1014D958-E960 PolarHBondContact O-N 3.48Å; D958-E960 VanDerWaalsContact O-N 3.17Å; D958-E960 PolarHBondContact OD1-N 3.17Å; D958-S961 PolarHBondContact O-N 3.06Å; D958-S961 WeakPolarHBondContact OD1-CA 3.39Å; D958-S961 WeakPolarHBondContact OD1-CB 3.38Å; D958-S961 PolarHBondContact OD1-N 2.67Å; D958-S961 PolarHBondContact OD1-OG 3.5Å; D958-M1012 PolarHBondContact N-O 3.05Å; D958-H1013 WeakPolarHBondContact OD2-CA 3.44Å; D958-A1014 PolarHBondContact OD2-N 3.22Å
959N83.6Confident88.4Confident154 Ų15447.9 Ų47.982%0.82425%0.249SC*.SBendtrans-60.1-30.1-177.1-70.3-23.5000112.5T962N959-T962 PolarHBondContact O-OG1 3.31Å
960E83.7Confident88.9Confident150 Ų15044.4 Ų44.470%0.70124%0.24SC*.THydrogen-bonded Turntrans-74.7-32.6-178.4-64.8179.5-17000112D958 T962 A1014D958-E960 PolarHBondContact O-N 3.48Å; D958-E960 VanDerWaalsContact O-N 3.17Å; D958-E960 PolarHBondContact OD1-N 3.17Å; E960-T962 VanDerWaalsContact C-N 3.34Å; E960-T962 PolarHBondContact O-N 2.87Å; E960-A1014 HydrophobicContact CB-CB 3.71Å; E960-A1014 WeakPolarHBondContact OE2-CB 3.36Å
961S86Confident89.1Confident3 Ų340.3 Ų40.32%0.02122%0.217CC..THydrogen-bonded Turntrans-93.421.5-178.9-500000113.6D958 A963 I964 G965 A1014D958-S961 PolarHBondContact O-N 3.06Å; D958-S961 WeakPolarHBondContact OD1-CA 3.39Å; D958-S961 WeakPolarHBondContact OD1-CB 3.38Å; D958-S961 PolarHBondContact OD1-N 2.67Å; D958-S961 PolarHBondContact OD1-OG 3.5Å; S961-A963 VanDerWaalsContact C-N 3.33Å; S961-A963 PolarHBondContact O-N 2.69Å; S961-I964 WeakPolarHBondContact O-CG2 3.5Å; S961-I964 PolarHBondContact O-N 3.3Å; S961-G965 PolarHBondContact O-N 3.48Å; S961-A1014 PolarHBondContact OG-N 3.3Å
962T86.3Confident89.2Confident63 Ų6341.5 Ų41.539%0.38722%0.223SC..Hα-helixtrans-59.7-39.2-174.3-610000113.3N959 E960 G965 H966N959-T962 PolarHBondContact O-OG1 3.31Å; E960-T962 VanDerWaalsContact C-N 3.34Å; E960-T962 PolarHBondContact O-N 2.87Å; T962-G965 PolarHBondContact O-N 3.29Å; T962-H966 WeakPolarHBondContact O-CB 3.36Å; T962-H966 PolarHBondContact O-N 2.87Å
963A86.6Confident89Confident58 Ų5842.7 Ų42.748%0.47923%0.233SC..Hα-helixtrans-63.7-48.9-177.700000111.6S961 H966 H967 L1048S961-A963 VanDerWaalsContact C-N 3.33Å; S961-A963 PolarHBondContact O-N 2.69Å; A963-H966 PolarHBondContact O-N 3.06Å; A963-H967 PolarHBondContact O-CD2 2.8Å; A963-H967 PolarHBondContact O-N 3.42Å; A963-L1048 HydrophobicContact CB-CD1 3.76Å
964I88.8Confident88.5Confident4 Ų449.1 Ų49.12%0.02128%0.278CS..Hα-helixtrans-68.3-37.7179.6-167.8159000111.8Y249 S961 H966 H967 Y968 M1012 T1020 M1022 I1045 L1048Y249-I964 HydrophobicContact CD1-CD1 3.5Å; Y249-I964 HydrophobicContact CE1-CD1 3.58Å; Y249-I964 HydrophobicContact CG-CD1 4.41Å; S961-I964 WeakPolarHBondContact O-CG2 3.5Å; S961-I964 PolarHBondContact O-N 3.3Å; I964-H966 VanDerWaalsContact C-N 3.33Å; I964-H966 PolarHBondContact O-N 2.89Å; I964-H967 PolarHBondContact O-N 3.38Å; I964-Y968 WeakPolarHBondContact O-CB 3.29Å; I964-Y968 PolarHBondContact O-N 3.43Å; I964-M1012 VanDerWaalsContact C-SD 3.59Å; I964-M1012 HydrophobicContact CB-SD 4.06Å; I964-M1012 HydrophobicContact CG1-CE 4.26Å; I964-M1012 HydrophobicContact CG1-SD 3.85Å; I964-M1012 HydrophobicContact CG2-CB 4.42Å; I964-M1012 HydrophobicContact CG2-SD 3.54Å; I964-M1012 VanDerWaalsContact CG2-SD 3.54Å; I964-T1020 HydrophobicContact CG2-CG2 4.37Å; I964-M1022 HydrophobicContact CD1-CE 3.55Å; I964-M1022 HydrophobicContact CD1-CG 4.23Å; I964-M1022 HydrophobicContact CD1-SD 3.33Å; I964-M1022 WeakPolarHBondContact CD1-SD 3.24Å; I964-M1022 HydrophobicContact CG1-CE 3.97Å; I964-M1022 HydrophobicContact CG1-SD 4.35Å; I964-I1045 HydrophobicContact CD1-CG1 4.29Å; I964-L1048 HydrophobicContact CB-CD2 3.91Å; I964-L1048 HydrophobicContact CD1-CD2 3.93Å; I964-L1048 HydrophobicContact CG1-CD2 4.12Å
965G89.2Confident88.1Confident0 Ų050.9 Ų50.90%029%0.293CS..Hα-helixtrans-59.6-41.8173.300000112.5S961 T962 Y968 A969 M1012S961-G965 PolarHBondContact O-N 3.48Å; T962-G965 PolarHBondContact O-N 3.29Å; G965-Y968 PolarHBondContact O-N 2.91Å; G965-A969 WeakPolarHBondContact O-CB 3.45Å; G965-A969 PolarHBondContact O-N 2.86Å; G965-M1012 VanDerWaalsContact CA-SD 3.56Å; G965-M1012 PolarHBondContact N-SD 2.92Å; G965-M1012 VanDerWaalsContact N-SD 3.42Å
966H90.5Very high87.7Confident124 Ų12451.7 Ų51.757%0.57430%0.296SS*.Hα-helixtrans-68.1-39.8176.4-163.2-37.6000112.3T962 A963 I964 Y968 A969 S970T962-H966 WeakPolarHBondContact O-CB 3.36Å; T962-H966 PolarHBondContact O-N 2.87Å; A963-H966 PolarHBondContact O-N 3.06Å; I964-H966 VanDerWaalsContact C-N 3.33Å; I964-H966 PolarHBondContact O-N 2.89Å; H966-Y968 VanDerWaalsContact C-N 3.33Å; H966-A969 PolarHBondContact O-N 2.83Å; H966-S970 WeakPolarHBondContact O-CB 3.37Å; H966-S970 PolarHBondContact O-N 2.85Å; H966-S970 PolarHBondContact O-OG 3.15Å
967H90.4Very high87.5Confident32 Ų3253.8 Ų53.815%0.14831%0.314CS..Hα-helixtrans-65.6-37.9176.2-79.1-62.6000112A963 I964 S970 R1047 N1051A963-H967 PolarHBondContact O-CD2 2.8Å; A963-H967 PolarHBondContact O-N 3.42Å; I964-H967 PolarHBondContact O-N 3.38Å; H967-S970 PolarHBondContact O-OG 3.44Å; H967-R1047 HydrophobicContact CB-CB 4.03Å; H967-N1051 PolarHBondContact CE1-ND2 3.3Å; H967-N1051 VanDerWaalsContact CE1-ND2 3.33Å; H967-N1051 PolarHBondContact NE2-ND2 3.49Å
968Y92.2Very high87.3Confident0 Ų054.3 Ų54.30%032%0.321CS..Hα-helixtrans-64.1-46.7172.3-172.3-84.1000112V953 L955 I964 G965 H966 S970 Q971 F972 I1008 A1010 M1012 A1040 L1041 A1044V953-Y968 HydrophobicContact CG1-CE1 3.96Å; L955-Y968 HydrophobicContact CD1-CD1 3.48Å; L955-Y968 VanDerWaalsContact CD1-CD1 3.48Å; L955-Y968 HydrophobicContact CD1-CE1 3.85Å; L955-Y968 HydrophobicContact CD1-CG 4.22Å; L955-Y968 HydrophobicContact CD2-CD1 3.85Å; L955-Y968 HydrophobicContact CG-CD1 4.26Å; I964-Y968 WeakPolarHBondContact O-CB 3.29Å; I964-Y968 PolarHBondContact O-N 3.43Å; G965-Y968 PolarHBondContact O-N 2.91Å; H966-Y968 VanDerWaalsContact C-N 3.33Å; Y968-S970 PolarHBondContact O-N 2.92Å; Y968-Q971 VanDerWaalsContact CD2-NE2 3.34Å; Y968-Q971 WeakPolarHBondContact O-CG 3.38Å; Y968-Q971 PolarHBondContact O-N 2.84Å; Y968-Q971 PolarHBondContact O-NE2 2.85Å; Y968-Q971 VanDerWaalsContact O-NE2 3.12Å; Y968-F972 AromaticContact CD1-CE2 3.87Å; Y968-F972 HydrophobicContact CD1-CE2 3.87Å; Y968-F972 HydrophobicContact CD1-CZ 4.48Å; Y968-F972 AromaticContact CE1-CE2 3.53Å; Y968-F972 HydrophobicContact CE1-CE2 3.53Å; Y968-F972 AromaticContact CE1-CZ 3.85Å; Y968-F972 HydrophobicContact CE1-CZ 3.85Å; Y968-F972 AromaticContact CZ-CZ 3.91Å; Y968-F972 WeakPolarHBondContact O-CE2 3.37Å; Y968-I1008 WeakPolarHBondContact OH-CD1 3.34Å; Y968-A1010 HydrophobicContact CD1-CB 4.41Å; Y968-A1010 HydrophobicContact CD2-CB 4.45Å; Y968-A1010 HydrophobicContact CE1-CB 3.79Å; Y968-A1010 HydrophobicContact CE2-CB 3.86Å; Y968-A1010 VanDerWaalsContact CZ-CB 3.5Å; Y968-M1012 VanDerWaalsContact CB-CE 3.43Å; Y968-M1012 HydrophobicContact CD1-CE 4.47Å; Y968-M1012 HydrophobicContact CD2-CE 3.62Å; Y968-M1012 HydrophobicContact CG-CE 3.59Å; Y968-A1040 WeakPolarHBondContact CD2-O 3.3Å; Y968-A1040 HydrophobicContact CE2-CB 3.76Å; Y968-L1041 HydrophobicContact CD2-CD2 4.26Å; Y968-L1041 HydrophobicContact CE2-CD2 3.83Å; Y968-L1041 HydrophobicContact CE2-CG 4.37Å; Y968-A1044 HydrophobicContact CD2-CB 3.75Å; Y968-A1044 HydrophobicContact CG-CB 4.2Å
969A89.9Confident87.2Confident26 Ų2654.6 Ų54.622%0.21532%0.322CS..Hα-helixtrans-62.6-41.117900000112.9L955 G965 H966 Q971 V978L955-A969 HydrophobicContact CD2-CB 3.67Å; G965-A969 WeakPolarHBondContact O-CB 3.45Å; G965-A969 PolarHBondContact O-N 2.86Å; H966-A969 PolarHBondContact O-N 2.83Å; A969-Q971 PolarHBondContact O-N 3.46Å; A969-V978 HydrophobicContact CB-CG1 4.02Å
970S89.1Confident87.4Confident56 Ų5653.3 Ų53.339%0.39231%0.31SS..THydrogen-bonded Turntrans-72.8-4.1-177.368.30000114.6H966 H967 Y968 R1047H966-S970 WeakPolarHBondContact O-CB 3.37Å; H966-S970 PolarHBondContact O-N 2.85Å; H966-S970 PolarHBondContact O-OG 3.15Å; H967-S970 PolarHBondContact O-OG 3.44Å; Y968-S970 PolarHBondContact O-N 2.92Å; S970-R1047 VanDerWaalsContact C-NH1 3.26Å; S970-R1047 PolarHBondContact O-NH1 3.41Å; S970-R1047 PolarHBondContact OG-NH1 2.91Å
971Q88.7Confident87.6Confident33 Ų3347.2 Ų47.215%0.15428%0.282CS..THydrogen-bonded Turntrans-78.1-28.6-179.689.3-175.8-79.200114.3Y968 A969 A1040 R1047Y968-Q971 VanDerWaalsContact CD2-NE2 3.34Å; Y968-Q971 WeakPolarHBondContact O-CG 3.38Å; Y968-Q971 PolarHBondContact O-N 2.84Å; Y968-Q971 PolarHBondContact O-NE2 2.85Å; Y968-Q971 VanDerWaalsContact O-NE2 3.12Å; A969-Q971 PolarHBondContact O-N 3.46Å; Q971-A1040 PolarHBondContact NE2-O 3.41Å; Q971-A1040 PolarHBondContact OE1-O 3.29Å; Q971-R1047 VanDerWaalsContact CA-CZ 3.45Å
972F89.7Confident87.5Confident28 Ų2853.1 Ų53.112%0.12332%0.323CS..SBendtrans-83.9142.5-174.8-55.6-69.9000111V945 V953 Y968 H976 V978 I1008 A1040V945-F972 HydrophobicContact CB-CD1 4.37Å; V945-F972 HydrophobicContact CB-CE1 4.19Å; V945-F972 HydrophobicContact CG2-CD1 4.42Å; V945-F972 HydrophobicContact CG2-CE1 3.76Å; V953-F972 HydrophobicContact CB-CE2 4.42Å; V953-F972 HydrophobicContact CG1-CE2 3.87Å; V953-F972 HydrophobicContact CG1-CZ 4.09Å; V953-F972 HydrophobicContact CG2-CD2 4.48Å; V953-F972 HydrophobicContact CG2-CE1 4.41Å; V953-F972 HydrophobicContact CG2-CE2 4.36Å; V953-F972 HydrophobicContact CG2-CZ 4.32Å; Y968-F972 AromaticContact CD1-CE2 3.87Å; Y968-F972 HydrophobicContact CD1-CE2 3.87Å; Y968-F972 HydrophobicContact CD1-CZ 4.48Å; Y968-F972 AromaticContact CE1-CE2 3.53Å; Y968-F972 HydrophobicContact CE1-CE2 3.53Å; Y968-F972 AromaticContact CE1-CZ 3.85Å; Y968-F972 HydrophobicContact CE1-CZ 3.85Å; Y968-F972 AromaticContact CZ-CZ 3.91Å; Y968-F972 WeakPolarHBondContact O-CE2 3.37Å; F972-H976 HydrophobicContact CB-CB 4.05Å; F972-V978 HydrophobicContact CB-CG2 4.39Å; F972-V978 HydrophobicContact CD2-CG2 3.78Å; F972-V978 HydrophobicContact CG-CG2 4.48Å; F972-I1008 HydrophobicContact CE1-CD1 4.23Å; F972-I1008 HydrophobicContact CZ-CD1 4.06Å; F972-A1040 HydrophobicContact CE1-CB 4.38Å; F972-A1040 HydrophobicContact CZ-CB 4.06Å
973S85.1Confident87.4Confident52 Ų5253.2 Ų53.236%0.36433%0.326SS..  trans-67.2164.4174.473.30000111.4A975 H976S973-A975 PolarHBondContact O-N 2.93Å; S973-H976 PolarHBondContact O-N 3.44Å; S973-H976 PolarHBondContact OG-CD2 3.24Å; S973-H976 VanDerWaalsContact OG-CD2 3.26Å
974S81.1Confident87.1Confident134 Ų13453 Ų5394%0.93732%0.317SS*.THydrogen-bonded Turntrans-62.4-8.217859.20000114.6H976S974-H976 VanDerWaalsContact C-N 3.28Å
975A80.9Confident87Confident40 Ų4056.9 Ų56.933%0.33134%0.338SS..THydrogen-bonded Turntrans-74.3-19.9173.200000112.8S973S973-A975 PolarHBondContact O-N 2.93Å
976H86.4Confident86.9Confident16 Ų1657.1 Ų57.17%0.07434%0.339CS..SBendtrans-109.7131.9-177-52.2-70.8000110.3D946 T951 F972 S973 S974D946-H976 IonicContact OD1-CD2 2.71Å; D946-H976 IonicContact OD1-NE2 3.77Å; D946-H976 PolarHBondContact OD1-NE2 3.34Å; T951-H976 PolarHBondContact N-ND1 3.45Å; T951-H976 CarbonylContact O-C 3.52Å; T951-H976 WeakPolarHBondContact O-CA 3.42Å; T951-H976 PolarHBondContact OG1-ND1 2.95Å; F972-H976 HydrophobicContact CB-CB 4.05Å; S973-H976 PolarHBondContact O-N 3.44Å; S973-H976 PolarHBondContact OG-CD2 3.24Å; S973-H976 VanDerWaalsContact OG-CD2 3.26Å; S974-H976 VanDerWaalsContact C-N 3.28Å
977V87.7Confident86.7Confident90 Ų9052.3 Ų52.355%0.54532%0.318SS..EExtended strand (participates in β ladder)trans-92.8115.8-179.4-179.90000108.8T951 I952 V953T951-V977 PolarHBondContact O-N 3.28Å; I952-V977 CarbonylContact C-O 3.53Å; I952-V977 VanDerWaalsContact CA-O 3.3Å; I952-V977 WeakPolarHBondContact CA-O 3.24Å; I952-V977 HydrophobicContact CG1-CB 4.45Å; V953-V977 PolarHBondContact N-O 2.81Å
978V87.7Confident86.6Confident47 Ų4753.6 Ų53.629%0.28533%0.331SS..EExtended strand (participates in β ladder)trans-86.4113173.2-175.60000108.9V953 L955 A969 F972V953-V978 WeakPolarHBondContact O-CA 3.3Å; L955-V978 HydrophobicContact CB-CG1 3.97Å; L955-V978 HydrophobicContact CD2-CG1 3.64Å; L955-V978 HydrophobicContact CG-CG1 4.49Å; A969-V978 HydrophobicContact CB-CG1 4.02Å; F972-V978 HydrophobicContact CB-CG2 4.39Å; F972-V978 HydrophobicContact CD2-CG2 3.78Å; F972-V978 HydrophobicContact CG-CG2 4.48Å
979D88.5Confident86.4Confident37 Ų3754.8 Ų54.820%0.19834%0.335CS..EExtended strand (participates in β ladder)trans-9899.9-177-172.633000109.9I952 V953 L955 L981 Y989 R993I952-D979 HydrophobicContact CG2-CB 3.91Å; V953-D979 PolarHBondContact O-N 3.36Å; L955-D979 PolarHBondContact N-O 2.8Å; D979-L981 PolarHBondContact O-N 2.94Å; D979-Y989 VanDerWaalsContact OD2-CE2 3.26Å; D979-Y989 WeakPolarHBondContact OD2-CE2 3.45Å; D979-Y989 PolarHBondContact OD2-OH 3.39Å; D979-R993 VanDerWaalsContact CG-NH2 3.34Å; D979-R993 IonicContact OD1-NH2 3.74Å; D979-R993 IonicContact OD2-CZ 2.93Å; D979-R993 IonicContact OD2-NE 3.6Å; D979-R993 IonicContact OD2-NH2 2.7Å; D979-R993 PolarHBondContact OD2-NH2 2.99Å
980K87.9Confident86.3Confident127 Ų12753.6 Ų53.655%0.55233%0.326SS*.EExtended strand (participates in β ladder)trans-73.3120.9179.3-173.6-175.8-178.5175.70110.5L955 W957L955-K980 CarbonylContact O-C 3.58Å; L955-K980 WeakPolarHBondContact O-CA 3.43Å; W957-K980 HydrophobicContact CE3-CG 4.43Å; W957-K980 HydrophobicContact CH2-CB 4.49Å; W957-K980 HydrophobicContact CH2-CD 3.44Å; W957-K980 VanDerWaalsContact CH2-CD 3.44Å; W957-K980 HydrophobicContact CH2-CG 3.83Å; W957-K980 HydrophobicContact CZ2-CD 3.68Å; W957-K980 HydrophobicContact CZ2-CG 4.43Å; W957-K980 HydrophobicContact CZ3-CB 4.44Å; W957-K980 HydrophobicContact CZ3-CD 3.94Å; W957-K980 HydrophobicContact CZ3-CG 3.79Å
981L87.4Confident86.3Confident22 Ų2253.2 Ų53.212%0.11532%0.319CS..  trans-90.1146.9-178.9-53.4-178.7000111.9L955 D979 F986 Y989L955-L981 PolarHBondContact O-N 2.75Å; D979-L981 PolarHBondContact O-N 2.94Å; L981-F986 HydrophobicContact CD1-CD1 3.89Å; L981-F986 HydrophobicContact CD1-CE1 3.31Å; L981-F986 HydrophobicContact CD1-CE2 4.16Å; L981-F986 HydrophobicContact CD1-CZ 3.48Å; L981-F986 VanDerWaalsContact CD1-CZ 3.48Å; L981-Y989 HydrophobicContact CD1-CD1 4.05Å; L981-Y989 HydrophobicContact CD1-CD2 4.12Å; L981-Y989 HydrophobicContact CD1-CE1 4.37Å; L981-Y989 HydrophobicContact CD1-CE2 4.41Å; L981-Y989 HydrophobicContact CD1-CG 3.89Å; L981-Y989 HydrophobicContact CD2-CD2 3.35Å; L981-Y989 HydrophobicContact CD2-CE1 4.45Å; L981-Y989 HydrophobicContact CD2-CE2 3.23Å; L981-Y989 HydrophobicContact CD2-CG 4.01Å; L981-Y989 HydrophobicContact CG-CD2 4.4Å; L981-Y989 HydrophobicContact CG-CE2 4.43Å
982S84.3Confident86.2Confident127 Ų12755.3 Ų55.389%0.88833%0.331SS*.SBendtrans-85.3-18.9175.453.80000113.6
983S83.7Confident86.2Confident65 Ų6556.9 Ų56.946%0.45534%0.336SS..SBendtrans-136.2146.8-175.5178.80000110.2Y956 N985Y956-S983 VanDerWaalsContact CD2-C 3.49Å; S983-N985 PolarHBondContact O-N 2.96Å; S983-N985 PolarHBondContact OG-N 3.44Å
984D80.3Confident86.2Confident53 Ų5355 Ų5528%0.28332%0.323SS..SBendtrans-74.7-2.7175-173.540.1000113.7Y956 F986 A1011 H1013Y956-D984 HydrophobicContact CD1-CB 3.82Å; Y956-D984 HydrophobicContact CE1-CB 3.61Å; Y956-D984 HydrophobicContact CE2-CB 4.32Å; Y956-D984 HydrophobicContact CG-CB 4.28Å; D984-F986 WeakPolarHBondContact O-CD2 3.33Å; D984-F986 PolarHBondContact O-N 2.92Å; D984-A1011 WeakPolarHBondContact OD1-CB 3.35Å; D984-H1013 IonicContact OD1-CE1 3.58Å; D984-H1013 PolarHBondContact OD1-CE1 3.32Å; D984-H1013 IonicContact OD1-NE2 2.7Å; D984-H1013 PolarHBondContact OD1-NE2 3.46Å; D984-H1013 IonicContact OD2-CE1 3.93Å; D984-H1013 PolarHBondContact OD2-CE1 2.91Å; D984-H1013 IonicContact OD2-NE2 2.79Å; D984-H1013 PolarHBondContact OD2-NE2 2.78Å
985N86.6Confident86.3Confident86 Ų8652.5 Ų52.546%0.4631%0.31SS..  trans-76.175.8179.6-168.1-17.8000111.6S983 T987 S988 Y989S983-N985 PolarHBondContact O-N 2.96Å; S983-N985 PolarHBondContact OG-N 3.44Å; N985-T987 PolarHBondContact O-N 2.73Å; N985-T987 PolarHBondContact OD1-N 2.95Å; N985-S988 WeakPolarHBondContact CB-OG 3.47Å; N985-S988 PolarHBondContact O-N 3.28Å; N985-S988 VanDerWaalsContact O-N 3.15Å; N985-S988 PolarHBondContact O-OG 3.33Å; N985-S988 PolarHBondContact OD1-N 3.4Å; N985-Y989 PolarHBondContact O-N 2.95Å; N985-Y989 VanDerWaalsContact O-N 3.12Å
986F87.2Confident86.4Confident4 Ų457.2 Ų57.22%0.01832%0.323CS..Hα-helixtrans-60.8-32.1178.8-86.7-86.5000112.7L981 D984 S988 Y989 V990 A1009 A1010 A1011 Y1025L981-F986 HydrophobicContact CD1-CD1 3.89Å; L981-F986 HydrophobicContact CD1-CE1 3.31Å; L981-F986 HydrophobicContact CD1-CE2 4.16Å; L981-F986 HydrophobicContact CD1-CZ 3.48Å; L981-F986 VanDerWaalsContact CD1-CZ 3.48Å; D984-F986 WeakPolarHBondContact O-CD2 3.33Å; D984-F986 PolarHBondContact O-N 2.92Å; F986-S988 VanDerWaalsContact C-N 3.35Å; F986-S988 PolarHBondContact O-N 3.37Å; F986-Y989 HydrophobicContact CD1-CD1 4.24Å; F986-Y989 WeakPolarHBondContact O-CB 3.12Å; F986-Y989 PolarHBondContact O-N 3.15Å; F986-V990 WeakPolarHBondContact O-CB 3.45Å; F986-V990 VanDerWaalsContact O-CG2 3.27Å; F986-V990 WeakPolarHBondContact O-CG2 3.35Å; F986-V990 PolarHBondContact O-N 3.49Å; F986-A1009 HydrophobicContact CD1-CB 4.07Å; F986-A1009 HydrophobicContact CE1-CB 3.58Å; F986-A1010 VanDerWaalsContact CZ-O 3.29Å; F986-A1010 WeakPolarHBondContact CZ-O 3.24Å; F986-A1011 HydrophobicContact CD2-CB 4.25Å; F986-A1011 HydrophobicContact CE2-CB 3.6Å; F986-A1011 HydrophobicContact CZ-CB 4.37Å; F986-Y1025 HydrophobicContact CB-CD1 4.26Å; F986-Y1025 HydrophobicContact CB-CE1 3.79Å; F986-Y1025 HydrophobicContact CB-CE2 4.27Å; F986-Y1025 HydrophobicContact CD1-CD2 4.22Å; F986-Y1025 HydrophobicContact CD1-CE2 4.37Å; F986-Y1025 HydrophobicContact CD1-CG 4.43Å; F986-Y1025 HydrophobicContact CD2-CD2 4.1Å; F986-Y1025 HydrophobicContact CD2-CE1 4.49Å; F986-Y1025 AromaticContact CD2-CE2 3.48Å; F986-Y1025 HydrophobicContact CD2-CE2 3.48Å; F986-Y1025 VanDerWaalsContact CD2-CE2 3.48Å; F986-Y1025 AromaticContact CD2-CZ 3.7Å; F986-Y1025 HydrophobicContact CE1-CD2 4.4Å; F986-Y1025 HydrophobicContact CE2-CD2 4.31Å; F986-Y1025 AromaticContact CE2-CE2 3.87Å; F986-Y1025 HydrophobicContact CE2-CE2 3.87Å; F986-Y1025 HydrophobicContact CG-CD1 4.44Å; F986-Y1025 HydrophobicContact CG-CD2 4.06Å; F986-Y1025 HydrophobicContact CG-CE1 4.16Å; F986-Y1025 AromaticContact CG-CE2 3.76Å; F986-Y1025 HydrophobicContact CG-CE2 3.76Å; F986-Y1025 HydrophobicContact CG-CG 4.38Å; F986-Y1025 AromaticContact CG-CZ 3.81Å; F986-Y1025 HydrophobicContact CZ-CD2 4.43Å; F986-Y1025 HydrophobicContact CZ-CE2 4.43Å
987T86.9Confident86.1Confident23 Ų2358.6 Ų58.614%0.14133%0.331CS..Hα-helixtrans-58.6-47.9174.3-57.10000110.6Y53 D55 A257 N985 V990 L991Y53-T987 HydrophobicContact CE2-CG2 4.28Å; D55-T987 PolarHBondContact OD2-OG1 3.42Å; A257-T987 HydrophobicContact CB-CG2 3.73Å; N985-T987 PolarHBondContact O-N 2.73Å; N985-T987 PolarHBondContact OD1-N 2.95Å; T987-V990 PolarHBondContact O-N 3.08Å; T987-L991 HydrophobicContact CG2-CD1 4.15Å; T987-L991 VanDerWaalsContact O-CG 3.26Å; T987-L991 WeakPolarHBondContact O-CG 3.39Å; T987-L991 PolarHBondContact O-N 2.61Å
988S87.3Confident85.6Confident60 Ų6056.6 Ų56.642%0.4232%0.317SS..Hα-helixtrans-65.8-38.7176.9730000113N985 F986 L991 D992N985-S988 WeakPolarHBondContact CB-OG 3.47Å; N985-S988 PolarHBondContact O-N 3.28Å; N985-S988 VanDerWaalsContact O-N 3.15Å; N985-S988 PolarHBondContact O-OG 3.33Å; N985-S988 PolarHBondContact OD1-N 3.4Å; F986-S988 VanDerWaalsContact C-N 3.35Å; F986-S988 PolarHBondContact O-N 3.37Å; S988-L991 PolarHBondContact O-N 2.94Å; S988-D992 WeakPolarHBondContact O-CB 3.45Å; S988-D992 PolarHBondContact O-N 3.39Å
989Y88.4Confident85.1Confident24 Ų2454.9 Ų54.99%0.09431%0.306CS..Hα-helixtrans-61.4-48.8176.4169.3-105.6000111.8D979 L981 N985 F986 D992 R993D979-Y989 VanDerWaalsContact OD2-CE2 3.26Å; D979-Y989 WeakPolarHBondContact OD2-CE2 3.45Å; D979-Y989 PolarHBondContact OD2-OH 3.39Å; L981-Y989 HydrophobicContact CD1-CD1 4.05Å; L981-Y989 HydrophobicContact CD1-CD2 4.12Å; L981-Y989 HydrophobicContact CD1-CE1 4.37Å; L981-Y989 HydrophobicContact CD1-CE2 4.41Å; L981-Y989 HydrophobicContact CD1-CG 3.89Å; L981-Y989 HydrophobicContact CD2-CD2 3.35Å; L981-Y989 HydrophobicContact CD2-CE1 4.45Å; L981-Y989 HydrophobicContact CD2-CE2 3.23Å; L981-Y989 HydrophobicContact CD2-CG 4.01Å; L981-Y989 HydrophobicContact CG-CD2 4.4Å; L981-Y989 HydrophobicContact CG-CE2 4.43Å; N985-Y989 PolarHBondContact O-N 2.95Å; N985-Y989 VanDerWaalsContact O-N 3.12Å; F986-Y989 HydrophobicContact CD1-CD1 4.24Å; F986-Y989 WeakPolarHBondContact O-CB 3.12Å; F986-Y989 PolarHBondContact O-N 3.15Å; Y989-D992 PolarHBondContact O-N 2.88Å; Y989-R993 HydrophobicContact CD2-CG 3.96Å; Y989-R993 HydrophobicContact CE1-CG 4.24Å; Y989-R993 HydrophobicContact CE2-CG 3.58Å; Y989-R993 HydrophobicContact CG-CG 4.47Å; Y989-R993 VanDerWaalsContact O-CB 3.29Å; Y989-R993 WeakPolarHBondContact O-CB 3.27Å; Y989-R993 VanDerWaalsContact O-CG 3.28Å; Y989-R993 WeakPolarHBondContact O-CG 3.35Å; Y989-R993 PolarHBondContact O-N 3.3Å
990V88.4Confident84.5Confident2 Ų253.3 Ų53.31%0.01230%0.299CS..Hα-helixtrans-61.1-48.3179.11680000110.2F256 A257 F986 T987 D992 R993 V994 F1002F256-V990 HydrophobicContact CB-CG1 4.48Å; F256-V990 HydrophobicContact CB-CG2 4.36Å; F256-V990 HydrophobicContact CD1-CG2 4.43Å; F256-V990 HydrophobicContact CD2-CG2 4.05Å; F256-V990 HydrophobicContact CE2-CG2 4.46Å; F256-V990 HydrophobicContact CG-CG2 4.03Å; A257-V990 WeakPolarHBondContact O-CG1 3.24Å; F986-V990 WeakPolarHBondContact O-CB 3.45Å; F986-V990 VanDerWaalsContact O-CG2 3.27Å; F986-V990 WeakPolarHBondContact O-CG2 3.35Å; F986-V990 PolarHBondContact O-N 3.49Å; T987-V990 PolarHBondContact O-N 3.08Å; V990-D992 PolarHBondContact O-N 3.19Å; V990-R993 PolarHBondContact O-N 3.01Å; V990-V994 HydrophobicContact CG1-CG2 4.27Å; V990-V994 WeakPolarHBondContact O-CB 3.43Å; V990-V994 VanDerWaalsContact O-CG2 3.23Å; V990-V994 WeakPolarHBondContact O-CG2 3.38Å; V990-V994 PolarHBondContact O-N 3Å; V990-F1002 HydrophobicContact CB-CZ 4.27Å; V990-F1002 HydrophobicContact CG1-CE1 4.11Å; V990-F1002 HydrophobicContact CG1-CE2 4.29Å; V990-F1002 HydrophobicContact CG1-CZ 3.58Å; V990-F1002 HydrophobicContact CG2-CZ 4.17Å
991L88Confident84.1Confident48 Ų4848.7 Ų48.725%0.25128%0.281SS..Hα-helixtrans-64-41.4-179.3-66.9174.9000112.8Y53 P259 T987 S988 A995Y53-L991 HydrophobicContact CD2-CD1 4.37Å; Y53-L991 HydrophobicContact CG-CD1 4.41Å; P259-L991 HydrophobicContact CB-CD2 4.05Å; T987-L991 HydrophobicContact CG2-CD1 4.15Å; T987-L991 VanDerWaalsContact O-CG 3.26Å; T987-L991 WeakPolarHBondContact O-CG 3.39Å; T987-L991 PolarHBondContact O-N 2.61Å; S988-L991 PolarHBondContact O-N 2.94Å; L991-A995 WeakPolarHBondContact O-CB 3.31Å; L991-A995 PolarHBondContact O-N 3.36Å; L991-A995 VanDerWaalsContact O-N 3.1Å
992D87.5Confident84Confident76 Ų7647.8 Ų47.841%0.40628%0.276SS..Hα-helixtrans-66.3-40.4175.5176.963.5000112S988 Y989 V990 A995 K996S988-D992 WeakPolarHBondContact O-CB 3.45Å; S988-D992 PolarHBondContact O-N 3.39Å; Y989-D992 PolarHBondContact O-N 2.88Å; V990-D992 PolarHBondContact O-N 3.19Å; D992-A995 PolarHBondContact O-N 3.26Å; D992-K996 VanDerWaalsContact CG-NZ 3.33Å; D992-K996 WeakPolarHBondContact O-CG 3.41Å; D992-K996 PolarHBondContact O-N 3.21Å; D992-K996 VanDerWaalsContact O-N 3.14Å; D992-K996 VanDerWaalsContact OD1-CE 3.24Å; D992-K996 WeakPolarHBondContact OD1-CE 3.38Å; D992-K996 IonicContact OD1-NZ 3.46Å; D992-K996 PolarHBondContact OD1-NZ 3.22Å; D992-K996 WeakPolarHBondContact OD2-CE 3.41Å; D992-K996 IonicContact OD2-NZ 3.96Å; D992-K996 PolarHBondContact OD2-NZ 3.32Å
993R88.3Confident84.1Confident61 Ų6142.1 Ų42.123%0.2324%0.236CC..Hα-helixtrans-67.7-43.9177.6-77.9-69.3-169.9176-1.8112.5D979 Y989 V990 A995 K996 L997 F1002D979-R993 VanDerWaalsContact CG-NH2 3.34Å; D979-R993 IonicContact OD1-NH2 3.74Å; D979-R993 IonicContact OD2-CZ 2.93Å; D979-R993 IonicContact OD2-NE 3.6Å; D979-R993 IonicContact OD2-NH2 2.7Å; D979-R993 PolarHBondContact OD2-NH2 2.99Å; Y989-R993 HydrophobicContact CD2-CG 3.96Å; Y989-R993 HydrophobicContact CE1-CG 4.24Å; Y989-R993 HydrophobicContact CE2-CG 3.58Å; Y989-R993 HydrophobicContact CG-CG 4.47Å; Y989-R993 VanDerWaalsContact O-CB 3.29Å; Y989-R993 WeakPolarHBondContact O-CB 3.27Å; Y989-R993 VanDerWaalsContact O-CG 3.28Å; Y989-R993 WeakPolarHBondContact O-CG 3.35Å; Y989-R993 PolarHBondContact O-N 3.3Å; V990-R993 PolarHBondContact O-N 3.01Å; R993-A995 VanDerWaalsContact C-N 3.29Å; R993-A995 PolarHBondContact O-N 2.97Å; R993-K996 PolarHBondContact O-N 3.4Å; R993-K996 VanDerWaalsContact O-N 3.12Å; R993-L997 WeakPolarHBondContact O-CB 3.37Å; R993-L997 PolarHBondContact O-N 3.02Å; R993-F1002 HydrophobicContact CB-CD2 3.91Å; R993-F1002 HydrophobicContact CB-CE2 3.9Å
994V85.9Confident84Confident14 Ų1441.5 Ų41.59%0.08523%0.225CC..Hα-helixtrans-57.6-44.4174166.70000110.6P259 V990 K996 D998 Q999 F1002P259-V994 HydrophobicContact CB-CG1 4.19Å; P259-V994 HydrophobicContact CG-CG1 3.98Å; V990-V994 HydrophobicContact CG1-CG2 4.27Å; V990-V994 WeakPolarHBondContact O-CB 3.43Å; V990-V994 VanDerWaalsContact O-CG2 3.23Å; V990-V994 WeakPolarHBondContact O-CG2 3.38Å; V990-V994 PolarHBondContact O-N 3Å; V994-K996 PolarHBondContact O-N 3.42Å; V994-D998 WeakPolarHBondContact O-CA 3.27Å; V994-D998 PolarHBondContact O-N 3.24Å; V994-D998 VanDerWaalsContact O-N 3.13Å; V994-Q999 HydrophobicContact CG1-CB 4.4Å; V994-F1002 HydrophobicContact CB-CG 4.46Å; V994-F1002 HydrophobicContact CG2-CB 4.06Å; V994-F1002 HydrophobicContact CG2-CD1 3.46Å; V994-F1002 VanDerWaalsContact CG2-CD1 3.46Å; V994-F1002 HydrophobicContact CG2-CD2 3.74Å; V994-F1002 HydrophobicContact CG2-CE1 3.76Å; V994-F1002 HydrophobicContact CG2-CE2 4.02Å; V994-F1002 HydrophobicContact CG2-CG 3.45Å; V994-F1002 VanDerWaalsContact CG2-CG 3.45Å; V994-F1002 HydrophobicContact CG2-CZ 4.04Å
995A82.7Confident84.3Confident81 Ų8141.9 Ų41.967%0.66923%0.226SC*.Hα-helixtrans-63.5-28.3178.100000113.2L991 D992 R993L991-A995 WeakPolarHBondContact O-CB 3.31Å; L991-A995 PolarHBondContact O-N 3.36Å; L991-A995 VanDerWaalsContact O-N 3.1Å; D992-A995 PolarHBondContact O-N 3.26Å; R993-A995 VanDerWaalsContact C-N 3.29Å; R993-A995 PolarHBondContact O-N 2.97Å
996K83.7Confident84.4Confident139 Ų13937.9 Ų37.960%0.60421%0.205SC*.Hα-helixtrans-87.6-36.1179.7-74.2170.9-179.7165.20114.4D992 R993 V994D992-K996 VanDerWaalsContact CG-NZ 3.33Å; D992-K996 WeakPolarHBondContact O-CG 3.41Å; D992-K996 PolarHBondContact O-N 3.21Å; D992-K996 VanDerWaalsContact O-N 3.14Å; D992-K996 VanDerWaalsContact OD1-CE 3.24Å; D992-K996 WeakPolarHBondContact OD1-CE 3.38Å; D992-K996 IonicContact OD1-NZ 3.46Å; D992-K996 PolarHBondContact OD1-NZ 3.22Å; D992-K996 WeakPolarHBondContact OD2-CE 3.41Å; D992-K996 IonicContact OD2-NZ 3.96Å; D992-K996 PolarHBondContact OD2-NZ 3.32Å; R993-K996 PolarHBondContact O-N 3.4Å; R993-K996 VanDerWaalsContact O-N 3.12Å; V994-K996 PolarHBondContact O-N 3.42Å
997L78.8Confident84.6Confident44 Ų4437.8 Ų37.823%0.2321%0.205CC..Hα-helixtrans-98.5-10.8-171.6-70.1170.6000113.8I952 R993 V1001 F1002I952-L997 HydrophobicContact CD1-CD1 4.49Å; R993-L997 WeakPolarHBondContact O-CB 3.37Å; R993-L997 PolarHBondContact O-N 3.02Å; L997-V1001 HydrophobicContact CB-CB 4.31Å; L997-V1001 HydrophobicContact CB-CG1 4.42Å; L997-V1001 WeakPolarHBondContact O-CB 3.29Å; L997-V1001 VanDerWaalsContact O-CG2 3.24Å; L997-V1001 WeakPolarHBondContact O-CG2 3.47Å; L997-F1002 HydrophobicContact CB-CB 4.48Å
998D77.6Confident85Confident48 Ų4836.7 Ų36.726%0.25720%0.198SC..  trans67.1144.9-156.8-65.4-26.7000112.2V440 Y445 V994 G1000 V1001 F1002V440-D998 HydrophobicContact CG2-CB 4.24Å; Y445-D998 WeakPolarHBondContact CE2-OD2 3.34Å; Y445-D998 PolarHBondContact OH-OD2 2.72Å; V994-D998 WeakPolarHBondContact O-CA 3.27Å; V994-D998 PolarHBondContact O-N 3.24Å; V994-D998 VanDerWaalsContact O-N 3.13Å; D998-G1000 VanDerWaalsContact C-N 3.28Å; D998-G1000 PolarHBondContact O-N 2.92Å; D998-V1001 PolarHBondContact O-N 3.47Å; D998-F1002 WeakPolarHBondContact O-CB 3.17Å; D998-F1002 PolarHBondContact O-N 3.36Å
999Q78.5Confident85.3Confident12 Ų1233.9 Ų33.96%0.05618%0.178CC..Hα-helixtrans-53.1-45.3-177.4-18061.931.600112.4Y258 P259 V994 V1001 F1002 D1003Y258-Q999 VanDerWaalsContact CE2-NE2 3.31Å; P259-Q999 VanDerWaalsContact CG-OE1 3.22Å; V994-Q999 HydrophobicContact CG1-CB 4.4Å; Q999-V1001 PolarHBondContact O-N 2.9Å; Q999-F1002 PolarHBondContact O-N 3.16Å; Q999-D1003 VanDerWaalsContact NE2-CG 3.3Å; Q999-D1003 PolarHBondContact NE2-OD1 3.43Å; Q999-D1003 PolarHBondContact NE2-OD2 3.34Å; Q999-D1003 PolarHBondContact O-N 2.64Å; Q999-D1003 VanDerWaalsContact O-OD2 3.13Å
1000G75.9Confident85.5Confident4 Ų432.7 Ų32.74%0.04117%0.174CC..Hα-helixtrans-56.7-52.9179.300000111.6M453 D998 D1003 Q1004M453-G1000 WeakPolarHBondContact CE-O 3.21Å; D998-G1000 VanDerWaalsContact C-N 3.28Å; D998-G1000 PolarHBondContact O-N 2.92Å; G1000-D1003 PolarHBondContact O-N 3.38Å; G1000-Q1004 PolarHBondContact O-N 2.8Å
1001V78.8Confident85.8Confident29 Ų2932.6 Ų32.618%0.17617%0.173CC..Hα-helixtrans-69.3-37.9-177-175.20000111.4L997 D998 Q999 D1003 Q1004 M1005L997-V1001 HydrophobicContact CB-CB 4.31Å; L997-V1001 HydrophobicContact CB-CG1 4.42Å; L997-V1001 WeakPolarHBondContact O-CB 3.29Å; L997-V1001 VanDerWaalsContact O-CG2 3.24Å; L997-V1001 WeakPolarHBondContact O-CG2 3.47Å; D998-V1001 PolarHBondContact O-N 3.47Å; Q999-V1001 PolarHBondContact O-N 2.9Å; V1001-D1003 VanDerWaalsContact C-N 3.25Å; V1001-D1003 PolarHBondContact O-N 3.12Å; V1001-Q1004 WeakPolarHBondContact O-CB 3.44Å; V1001-Q1004 PolarHBondContact O-N 2.94Å; V1001-M1005 HydrophobicContact CG1-CE 3.28Å; V1001-M1005 HydrophobicContact CG1-CG 4.24Å; V1001-M1005 HydrophobicContact CG1-SD 3.82Å; V1001-M1005 PolarHBondContact O-N 2.83Å
1002F86.2Confident86Confident4 Ų430.3 Ų30.32%0.01816%0.161CC..Hα-helixtrans-54.3-45.1172.3174-93.1000111F256 V990 R993 V994 L997 D998 Q999 Q1004 M1005 C1006F256-F1002 AromaticContact CD2-CE1 3.81Å; F256-F1002 HydrophobicContact CD2-CE1 3.81Å; F256-F1002 AromaticContact CD2-CZ 3.53Å; F256-F1002 HydrophobicContact CD2-CZ 3.53Å; F256-F1002 HydrophobicContact CE2-CE1 4.19Å; F256-F1002 AromaticContact CE2-CZ 3.66Å; F256-F1002 HydrophobicContact CE2-CZ 3.66Å; V990-F1002 HydrophobicContact CB-CZ 4.27Å; V990-F1002 HydrophobicContact CG1-CE1 4.11Å; V990-F1002 HydrophobicContact CG1-CE2 4.29Å; V990-F1002 HydrophobicContact CG1-CZ 3.58Å; V990-F1002 HydrophobicContact CG2-CZ 4.17Å; R993-F1002 HydrophobicContact CB-CD2 3.91Å; R993-F1002 HydrophobicContact CB-CE2 3.9Å; V994-F1002 HydrophobicContact CB-CG 4.46Å; V994-F1002 HydrophobicContact CG2-CB 4.06Å; V994-F1002 HydrophobicContact CG2-CD1 3.46Å; V994-F1002 VanDerWaalsContact CG2-CD1 3.46Å; V994-F1002 HydrophobicContact CG2-CD2 3.74Å; V994-F1002 HydrophobicContact CG2-CE1 3.76Å; V994-F1002 HydrophobicContact CG2-CE2 4.02Å; V994-F1002 HydrophobicContact CG2-CG 3.45Å; V994-F1002 VanDerWaalsContact CG2-CG 3.45Å; V994-F1002 HydrophobicContact CG2-CZ 4.04Å; L997-F1002 HydrophobicContact CB-CB 4.48Å; D998-F1002 WeakPolarHBondContact O-CB 3.17Å; D998-F1002 PolarHBondContact O-N 3.36Å; Q999-F1002 PolarHBondContact O-N 3.16Å; F1002-Q1004 PolarHBondContact O-N 3.43Å; F1002-M1005 PolarHBondContact O-N 3.49Å; F1002-C1006 HydrophobicContact CD2-CB 3.76Å; F1002-C1006 HydrophobicContact CE1-CB 4.34Å; F1002-C1006 HydrophobicContact CE2-CB 3.48Å; F1002-C1006 VanDerWaalsContact CE2-CB 3.48Å; F1002-C1006 HydrophobicContact CG-CB 4.3Å; F1002-C1006 HydrophobicContact CZ-CB 3.79Å; F1002-C1006 WeakPolarHBondContact O-CA 3.42Å; F1002-C1006 WeakPolarHBondContact O-CB 3.1Å; F1002-C1006 PolarHBondContact O-N 2.96Å
1003D85.5Confident86.1Confident8 Ų829 Ų294%0.04315%0.152CC..Hα-helixtrans-65.2-21.3178.2-65.5-33.5000113.8M453 Q999 G1000 V1001 I1007 N1027 Q1029M453-D1003 HydrophobicContact CG-CB 4.39Å; M453-D1003 HydrophobicContact SD-CB 3.95Å; Q999-D1003 VanDerWaalsContact NE2-CG 3.3Å; Q999-D1003 PolarHBondContact NE2-OD1 3.43Å; Q999-D1003 PolarHBondContact NE2-OD2 3.34Å; Q999-D1003 PolarHBondContact O-N 2.64Å; Q999-D1003 VanDerWaalsContact O-OD2 3.13Å; G1000-D1003 PolarHBondContact O-N 3.38Å; V1001-D1003 VanDerWaalsContact C-N 3.25Å; V1001-D1003 PolarHBondContact O-N 3.12Å; D1003-I1007 WeakPolarHBondContact O-CD1 3.12Å; D1003-N1027 WeakPolarHBondContact CA-ND2 3.41Å; D1003-N1027 PolarHBondContact OD1-ND2 3.28Å; D1003-Q1029 HydrophobicContact CB-CB 4.08Å; D1003-Q1029 HydrophobicContact CB-CG 4.42Å
1004Q81Confident86Confident51 Ų5127.3 Ų27.324%0.23815%0.152CC..Hα-helixtrans-80-46.8174.5-134.6167.5-35.300112.1M453 G1000 V1001 F1002 I1007M453-Q1004 HydrophobicContact CE-CB 3.2Å; M453-Q1004 HydrophobicContact CE-CG 3.34Å; M453-Q1004 WeakPolarHBondContact SD-CA 3.28Å; M453-Q1004 HydrophobicContact SD-CB 3.71Å; M453-Q1004 HydrophobicContact SD-CG 3.74Å; M453-Q1004 PolarHBondContact SD-N 2.89Å; G1000-Q1004 PolarHBondContact O-N 2.8Å; V1001-Q1004 WeakPolarHBondContact O-CB 3.44Å; V1001-Q1004 PolarHBondContact O-N 2.94Å; F1002-Q1004 PolarHBondContact O-N 3.43Å; Q1004-I1007 WeakPolarHBondContact O-CD1 2.89Å
1005M86.4Confident85.9Confident61 Ų6130.4 Ų30.430%0.317%0.17SC..Hα-helixtrans-89.8-43.8-164.6-66-174.1-170.400109.1T951 I952 V1001 F1002 I1007T951-M1005 CarbonylContact C-O 3.53Å; T951-M1005 WeakPolarHBondContact CA-O 3.45Å; T951-M1005 WeakPolarHBondContact CB-O 3.39Å; I952-M1005 HydrophobicContact CD1-CB 4.09Å; I952-M1005 HydrophobicContact CD1-SD 4.04Å; I952-M1005 HydrophobicContact CG1-CB 4.18Å; I952-M1005 PolarHBondContact N-O 3.18Å; V1001-M1005 HydrophobicContact CG1-CE 3.28Å; V1001-M1005 HydrophobicContact CG1-CG 4.24Å; V1001-M1005 HydrophobicContact CG1-SD 3.82Å; V1001-M1005 PolarHBondContact O-N 2.83Å; F1002-M1005 PolarHBondContact O-N 3.49Å; M1005-I1007 PolarHBondContact O-N 3.42Å
1006C90.2Very high85.8Confident3 Ų331.5 Ų31.52%0.0217%0.165CC..  trans-9586-175.1-57.80000109.9F256 F1002 N1027F256-C1006 HydrophobicContact CE2-CB 4.06Å; F256-C1006 WeakPolarHBondContact CE2-O 3.38Å; F1002-C1006 HydrophobicContact CD2-CB 3.76Å; F1002-C1006 HydrophobicContact CE1-CB 4.34Å; F1002-C1006 HydrophobicContact CE2-CB 3.48Å; F1002-C1006 VanDerWaalsContact CE2-CB 3.48Å; F1002-C1006 HydrophobicContact CG-CB 4.3Å; F1002-C1006 HydrophobicContact CZ-CB 3.79Å; F1002-C1006 WeakPolarHBondContact O-CA 3.42Å; F1002-C1006 WeakPolarHBondContact O-CB 3.1Å; F1002-C1006 PolarHBondContact O-N 2.96Å; C1006-N1027 VanDerWaalsContact O-CB 3.27Å; C1006-N1027 WeakPolarHBondContact O-CB 3.44Å; C1006-N1027 PolarHBondContact O-ND2 2.95Å
1007I91.4Very high85.4Confident1 Ų134.1 Ų34.11%0.00518%0.179CC..  trans-90-49.9-178-53.5-62000111.6F199 Y948 T951 D1003 Q1004 M1005 N1027 P1030 A1033F199-I1007 HydrophobicContact CZ-CD1 4.18Å; Y948-I1007 HydrophobicContact CD1-CD1 3.93Å; Y948-I1007 HydrophobicContact CD1-CG1 4.23Å; Y948-I1007 HydrophobicContact CD1-CG2 4.5Å; Y948-I1007 HydrophobicContact CD2-CG2 4.12Å; Y948-I1007 HydrophobicContact CE1-CD1 4.31Å; Y948-I1007 HydrophobicContact CE1-CG2 4.32Å; Y948-I1007 HydrophobicContact CE2-CG2 3.89Å; Y948-I1007 HydrophobicContact CG-CD1 4.32Å; Y948-I1007 HydrophobicContact CG-CG1 4.11Å; Y948-I1007 HydrophobicContact CG-CG2 4.4Å; T951-I1007 HydrophobicContact CG2-CB 4.39Å; T951-I1007 HydrophobicContact CG2-CG1 3.54Å; D1003-I1007 WeakPolarHBondContact O-CD1 3.12Å; Q1004-I1007 WeakPolarHBondContact O-CD1 2.89Å; M1005-I1007 PolarHBondContact O-N 3.42Å; I1007-N1027 WeakPolarHBondContact O-CB 3.21Å; I1007-N1027 PolarHBondContact O-N 3.5Å; I1007-P1030 HydrophobicContact CD1-CB 4.29Å; I1007-P1030 HydrophobicContact CD1-CG 3.49Å; I1007-P1030 VanDerWaalsContact CD1-CG 3.49Å; I1007-P1030 HydrophobicContact CG2-CB 4.48Å; I1007-P1030 HydrophobicContact CG2-CG 4.15Å; I1007-A1033 HydrophobicContact CG2-CB 3.81Å
1008I94.2Very high85.4Confident1 Ų137.4 Ų37.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-133.9157.7-179.766.9167.5000110.6V945 V953 Y968 F972 Y1025 A1040V945-I1008 HydrophobicContact CG2-CD1 3.28Å; V945-I1008 HydrophobicContact CG2-CG1 3.74Å; V953-I1008 HydrophobicContact CG1-CG1 4.23Å; V953-I1008 HydrophobicContact CG2-CG1 4.27Å; Y968-I1008 WeakPolarHBondContact OH-CD1 3.34Å; F972-I1008 HydrophobicContact CE1-CD1 4.23Å; F972-I1008 HydrophobicContact CZ-CD1 4.06Å; I1008-Y1025 WeakPolarHBondContact CA-O 3.23Å; I1008-A1040 HydrophobicContact CD1-CB 3.79Å
1009A93.3Very high85.8Confident0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-145167.6170.200000109.2F256 G954 F986 Y1025F256-A1009 HydrophobicContact CE1-CB 3.81Å; F256-A1009 HydrophobicContact CZ-CB 3.93Å; G954-A1009 CarbonylContact O-C 3.57Å; G954-A1009 WeakPolarHBondContact O-CA 3.38Å; G954-A1009 WeakPolarHBondContact O-CB 3.46Å; F986-A1009 HydrophobicContact CD1-CB 4.07Å; F986-A1009 HydrophobicContact CE1-CB 3.58Å; A1009-Y1025 PolarHBondContact N-O 3.4Å; A1009-Y1025 WeakPolarHBondContact O-CA 3.46Å; A1009-Y1025 PolarHBondContact O-N 3.09Å; A1009-Y1025 VanDerWaalsContact O-O 3.09Å
1010A94.2Very high86.4Confident0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-145.3144.517600000112.6G954 L955 Y956 Y968 F986 T1023 L1041G954-A1010 PolarHBondContact O-N 2.94Å; L955-A1010 WeakPolarHBondContact CA-O 3.46Å; L955-A1010 HydrophobicContact CD1-CB 3.98Å; Y956-A1010 PolarHBondContact N-O 3.39Å; Y968-A1010 HydrophobicContact CD1-CB 4.41Å; Y968-A1010 HydrophobicContact CD2-CB 4.45Å; Y968-A1010 HydrophobicContact CE1-CB 3.79Å; Y968-A1010 HydrophobicContact CE2-CB 3.86Å; Y968-A1010 VanDerWaalsContact CZ-CB 3.5Å; F986-A1010 VanDerWaalsContact CZ-O 3.29Å; F986-A1010 WeakPolarHBondContact CZ-O 3.24Å; A1010-T1023 CarbonylContact C-O 3.58Å; A1010-T1023 VanDerWaalsContact CA-O 3.31Å; A1010-T1023 WeakPolarHBondContact CA-O 3.31Å; A1010-L1041 HydrophobicContact CB-CD2 4.09Å
1011A92.9Very high87.1Confident0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-118.1140.9168.800000110.1Y956 D984 F986 T1023 Y1025Y956-A1011 HydrophobicContact CD1-CB 4.28Å; Y956-A1011 CarbonylContact O-C 3.47Å; Y956-A1011 WeakPolarHBondContact O-CA 3.28Å; D984-A1011 WeakPolarHBondContact OD1-CB 3.35Å; F986-A1011 HydrophobicContact CD2-CB 4.25Å; F986-A1011 HydrophobicContact CE2-CB 3.6Å; F986-A1011 HydrophobicContact CZ-CB 4.37Å; A1011-T1023 PolarHBondContact N-O 2.99Å; A1011-T1023 PolarHBondContact O-N 3.13Å; A1011-Y1025 HydrophobicContact CB-CE2 3.8Å
1012M92.5Very high87.8Confident0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-129.4122.3178.8-57.3-175.9176.800109.9Y956 W957 D958 I964 G965 Y968 M1022Y956-M1012 PolarHBondContact O-N 3.34Å; W957-M1012 WeakPolarHBondContact CA-O 3.49Å; W957-M1012 HydrophobicContact CB-CB 4.14Å; D958-M1012 PolarHBondContact N-O 3.05Å; I964-M1012 VanDerWaalsContact C-SD 3.59Å; I964-M1012 HydrophobicContact CB-SD 4.06Å; I964-M1012 HydrophobicContact CG1-CE 4.26Å; I964-M1012 HydrophobicContact CG1-SD 3.85Å; I964-M1012 HydrophobicContact CG2-CB 4.42Å; I964-M1012 HydrophobicContact CG2-SD 3.54Å; I964-M1012 VanDerWaalsContact CG2-SD 3.54Å; G965-M1012 VanDerWaalsContact CA-SD 3.56Å; G965-M1012 PolarHBondContact N-SD 2.92Å; G965-M1012 VanDerWaalsContact N-SD 3.42Å; Y968-M1012 VanDerWaalsContact CB-CE 3.43Å; Y968-M1012 HydrophobicContact CD1-CE 4.47Å; Y968-M1012 HydrophobicContact CD2-CE 3.62Å; Y968-M1012 HydrophobicContact CG-CE 3.59Å; M1012-M1022 HydrophobicContact CE-CE 3.66Å; M1012-M1022 HydrophobicContact CG-CG 4.49Å; M1012-M1022 HydrophobicContact SD-CE 4.46Å
1013H90Very high88.2Confident48 Ų4838 Ų3822%0.22220%0.2CC..EExtended strand (participates in β ladder)trans-128.5128.5-174.5-65.1-77.5000110.4Y956 D958 D984 V1015 T1020 M1021Y956-H1013 AromaticContact CD1-CE1 3.94Å; Y956-H1013 AromaticContact CE1-CE1 3.42Å; Y956-H1013 VanDerWaalsContact CE1-CE1 3.42Å; Y956-H1013 WeakPolarHBondContact CE1-CE1 3.44Å; Y956-H1013 AromaticContact CE1-ND1 3.94Å; D958-H1013 WeakPolarHBondContact OD2-CA 3.44Å; D984-H1013 IonicContact OD1-CE1 3.58Å; D984-H1013 PolarHBondContact OD1-CE1 3.32Å; D984-H1013 IonicContact OD1-NE2 2.7Å; D984-H1013 PolarHBondContact OD1-NE2 3.46Å; D984-H1013 IonicContact OD2-CE1 3.93Å; D984-H1013 PolarHBondContact OD2-CE1 2.91Å; D984-H1013 IonicContact OD2-NE2 2.79Å; D984-H1013 PolarHBondContact OD2-NE2 2.78Å; H1013-V1015 PolarHBondContact O-N 2.83Å; H1013-T1020 CarbonylContact O-C 3.5Å; H1013-T1020 WeakPolarHBondContact O-CA 3.26Å; H1013-T1020 WeakPolarHBondContact O-CG2 3.35Å; H1013-M1021 HydrophobicContact CB-CB 4.5Å; H1013-M1021 PolarHBondContact N-O 3.35Å; H1013-M1021 PolarHBondContact O-N 2.97Å
1014A87.1Confident88.6Confident26 Ų2637.7 Ų37.722%0.21520%0.198CC..EExtended strand (participates in β ladder)trans-71.3118.2165.900000108.6D958 E960 S961D958-A1014 PolarHBondContact OD2-N 3.22Å; E960-A1014 HydrophobicContact CB-CB 3.71Å; E960-A1014 WeakPolarHBondContact OE2-CB 3.36Å; S961-A1014 PolarHBondContact OG-N 3.3Å
1015V82.2Confident89.2Confident78 Ų7836 Ų3647%0.47319%0.189SC..EExtended strand (participates in β ladder)trans-78.4-48.5173.6-178.60000108.9H1013 N1019 M1021H1013-V1015 PolarHBondContact O-N 2.83Å; V1015-N1019 HydrophobicContact CB-CB 4.28Å; V1015-N1019 PolarHBondContact N-O 3.21Å; V1015-M1021 HydrophobicContact CG2-CB 3.55Å
1016N81.5Confident89.6Confident105 Ų10533 Ų3356%0.56118%0.175SC*.EExtended strand (participates in β ladder)trans-141.2170.7176.3-63.9-6.6000107.8N1018 N1019N1016-N1018 PolarHBondContact O-N 3.21Å; N1016-N1019 PolarHBondContact N-O 3.29Å; N1016-N1019 PolarHBondContact O-N 3.47Å; N1016-N1019 VanDerWaalsContact O-O 3.12Å
1017E74.6Confident89.7Confident193 Ų19333.2 Ų33.290%0.90218%0.176SC*.THydrogen-bonded Turntrans-48.4-32177.8-68.7-175.6167.700114.4
1018N79.7Confident89.6Confident114 Ų11433.4 Ų33.461%0.6118%0.177SC*.THydrogen-bonded Turntrans-99.7-24.2179.8-69.7-3.5000114.4N248 N1016N248-N1018 VanDerWaalsContact CB-O 3.23Å; N248-N1018 WeakPolarHBondContact CB-O 3.41Å; N248-N1018 PolarHBondContact ND2-O 2.93Å; N1016-N1018 PolarHBondContact O-N 3.21Å
1019N86.3Confident89.3Confident45 Ų4534 Ų3424%0.24118%0.179CC..EExtended strand (participates in β ladder)trans-111.2128.2-167.5-72.3-5.4000111N248 V1015 N1016N248-N1019 VanDerWaalsContact O-CA 3.32Å; N248-N1019 WeakPolarHBondContact O-CA 3.13Å; V1015-N1019 HydrophobicContact CB-CB 4.28Å; V1015-N1019 PolarHBondContact N-O 3.21Å; N1016-N1019 PolarHBondContact N-O 3.29Å; N1016-N1019 PolarHBondContact O-N 3.47Å; N1016-N1019 VanDerWaalsContact O-O 3.12Å
1020T90Very high89.1Confident17 Ų1734 Ų3410%0.10418%0.18CC..EExtended strand (participates in β ladder)trans-113.9127.7176.1-52.10000109.7N248 Y249 K250 I964 H1013 M1022N248-T1020 PolarHBondContact O-N 3.21Å; Y249-T1020 WeakPolarHBondContact CA-O 3.41Å; K250-T1020 PolarHBondContact N-O 2.86Å; I964-T1020 HydrophobicContact CG2-CG2 4.37Å; H1013-T1020 CarbonylContact O-C 3.5Å; H1013-T1020 WeakPolarHBondContact O-CA 3.26Å; H1013-T1020 WeakPolarHBondContact O-CG2 3.35Å; T1020-M1022 HydrophobicContact CG2-CG 4.33Å
1021M91.3Very high88.8Confident31 Ų3134.7 Ų34.715%0.15318%0.183CC..EExtended strand (participates in β ladder)trans-88.6123168-176.963.480.700109.3E60 K250 H1013 V1015E60-M1021 VanDerWaalsContact OE1-CE 3.25Å; E60-M1021 WeakPolarHBondContact OE1-CE 3.44Å; K250-M1021 HydrophobicContact CB-CE 3.95Å; K250-M1021 HydrophobicContact CB-SD 3.7Å; K250-M1021 HydrophobicContact CD-CE 4.01Å; H1013-M1021 HydrophobicContact CB-CB 4.5Å; H1013-M1021 PolarHBondContact N-O 3.35Å; H1013-M1021 PolarHBondContact O-N 2.97Å; V1015-M1021 HydrophobicContact CG2-CB 3.55Å
1022M93.5Very high88.8Confident0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-112.1112.7177.9-60.6174.471.400109Y249 K250 V251 S252 I964 M1012 T1020 L1041 A1044 I1045Y249-M1022 HydrophobicContact CD1-SD 4.19Å; K250-M1022 PolarHBondContact O-N 3.33Å; V251-M1022 WeakPolarHBondContact CA-O 3.5Å; S252-M1022 PolarHBondContact N-O 3.11Å; I964-M1022 HydrophobicContact CD1-CE 3.55Å; I964-M1022 HydrophobicContact CD1-CG 4.23Å; I964-M1022 HydrophobicContact CD1-SD 3.33Å; I964-M1022 WeakPolarHBondContact CD1-SD 3.24Å; I964-M1022 HydrophobicContact CG1-CE 3.97Å; I964-M1022 HydrophobicContact CG1-SD 4.35Å; M1012-M1022 HydrophobicContact CE-CE 3.66Å; M1012-M1022 HydrophobicContact CG-CG 4.49Å; M1012-M1022 HydrophobicContact SD-CE 4.46Å; T1020-M1022 HydrophobicContact CG2-CG 4.33Å; M1022-L1041 HydrophobicContact CB-CD2 4.29Å; M1022-L1041 HydrophobicContact CE-CB 4.2Å; M1022-L1041 HydrophobicContact CE-CD2 3.91Å; M1022-A1044 HydrophobicContact CE-CB 4.25Å; M1022-I1045 HydrophobicContact CE-CD1 4.4Å; M1022-I1045 HydrophobicContact CE-CG1 3.96Å; M1022-I1045 HydrophobicContact SD-CD1 3.78Å; M1022-I1045 HydrophobicContact SD-CG1 3.62Å
1023T93.4Very high88.8Confident17 Ų1734.8 Ų34.810%0.10418%0.183CC..EExtended strand (participates in β ladder)trans-101.9107.9178.1-51.20000109.7S252 R254 A1010 A1011 Y1025S252-T1023 CarbonylContact O-C 3.55Å; S252-T1023 VanDerWaalsContact O-CA 3.28Å; S252-T1023 WeakPolarHBondContact O-CA 3.48Å; R254-T1023 HydrophobicContact CB-CG2 3.91Å; A1010-T1023 CarbonylContact C-O 3.58Å; A1010-T1023 VanDerWaalsContact CA-O 3.31Å; A1010-T1023 WeakPolarHBondContact CA-O 3.31Å; A1011-T1023 PolarHBondContact N-O 2.99Å; A1011-T1023 PolarHBondContact O-N 3.13Å; T1023-Y1025 HydrophobicContact CG2-CD2 4.17Å; T1023-Y1025 HydrophobicContact CG2-CE2 3.71Å
1024G94.2Very high89Confident0 Ų032.9 Ų32.90%018%0.175CC..EExtended strand (participates in β ladder)trans-81114.617100000110.9S252 L253 R254S252-G1024 PolarHBondContact O-N 3.26Å; L253-G1024 CarbonylContact C-O 3.54Å; L253-G1024 WeakPolarHBondContact CA-O 3.31Å; R254-G1024 PolarHBondContact N-O 3.15Å
1025Y94.6Very high89.4Confident15 Ų1531.7 Ų31.76%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-90.6143.5172.7-67-96.3000111.1R254 F256 F986 I1008 A1009 A1011 T1023 S1037R254-Y1025 HydrophobicContact CB-CD1 3.99Å; R254-Y1025 HydrophobicContact CB-CE1 4.02Å; R254-Y1025 HydrophobicContact CG-CD1 4.14Å; R254-Y1025 HydrophobicContact CG-CE1 3.91Å; R254-Y1025 CarbonylContact O-C 3.57Å; R254-Y1025 WeakPolarHBondContact O-CA 3.41Å; F256-Y1025 VanDerWaalsContact CE1-CB 3.47Å; F986-Y1025 HydrophobicContact CB-CD1 4.26Å; F986-Y1025 HydrophobicContact CB-CE1 3.79Å; F986-Y1025 HydrophobicContact CB-CE2 4.27Å; F986-Y1025 HydrophobicContact CD1-CD2 4.22Å; F986-Y1025 HydrophobicContact CD1-CE2 4.37Å; F986-Y1025 HydrophobicContact CD1-CG 4.43Å; F986-Y1025 HydrophobicContact CD2-CD2 4.1Å; F986-Y1025 HydrophobicContact CD2-CE1 4.49Å; F986-Y1025 AromaticContact CD2-CE2 3.48Å; F986-Y1025 HydrophobicContact CD2-CE2 3.48Å; F986-Y1025 VanDerWaalsContact CD2-CE2 3.48Å; F986-Y1025 AromaticContact CD2-CZ 3.7Å; F986-Y1025 HydrophobicContact CE1-CD2 4.4Å; F986-Y1025 HydrophobicContact CE2-CD2 4.31Å; F986-Y1025 AromaticContact CE2-CE2 3.87Å; F986-Y1025 HydrophobicContact CE2-CE2 3.87Å; F986-Y1025 HydrophobicContact CG-CD1 4.44Å; F986-Y1025 HydrophobicContact CG-CD2 4.06Å; F986-Y1025 HydrophobicContact CG-CE1 4.16Å; F986-Y1025 AromaticContact CG-CE2 3.76Å; F986-Y1025 HydrophobicContact CG-CE2 3.76Å; F986-Y1025 HydrophobicContact CG-CG 4.38Å; F986-Y1025 AromaticContact CG-CZ 3.81Å; F986-Y1025 HydrophobicContact CZ-CD2 4.43Å; F986-Y1025 HydrophobicContact CZ-CE2 4.43Å; I1008-Y1025 WeakPolarHBondContact CA-O 3.23Å; A1009-Y1025 PolarHBondContact N-O 3.4Å; A1009-Y1025 WeakPolarHBondContact O-CA 3.46Å; A1009-Y1025 PolarHBondContact O-N 3.09Å; A1009-Y1025 VanDerWaalsContact O-O 3.09Å; A1011-Y1025 HydrophobicContact CB-CE2 3.8Å; T1023-Y1025 HydrophobicContact CG2-CD2 4.17Å; T1023-Y1025 HydrophobicContact CG2-CE2 3.71Å; Y1025-S1037 PolarHBondContact O-OG 2.71Å; Y1025-S1037 VanDerWaalsContact O-OG 3.13Å
1026F94.3Very high89.9Confident0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-138.3139.3177.266.7-81.4000112R254 R255 F256 N1028 A1033 L1034R254-F1026 WeakPolarHBondContact O-CD1 3.28Å; R254-F1026 WeakPolarHBondContact O-CE1 3.4Å; R254-F1026 PolarHBondContact O-N 2.64Å; R255-F1026 HydrophobicContact CB-CE1 3.99Å; R255-F1026 HydrophobicContact CB-CE2 4.08Å; R255-F1026 HydrophobicContact CB-CZ 3.64Å; R255-F1026 HydrophobicContact CG-CE2 4.2Å; R255-F1026 HydrophobicContact CG-CZ 4.25Å; F256-F1026 VanDerWaalsContact CD1-C 3.47Å; F256-F1026 WeakPolarHBondContact CD1-O 3.32Å; F256-F1026 PolarHBondContact N-O 3.18Å; F1026-N1028 HydrophobicContact CE2-CB 4.46Å; F1026-A1033 HydrophobicContact CB-CB 4.11Å; F1026-L1034 HydrophobicContact CD1-CB 4.49Å; F1026-L1034 HydrophobicContact CD1-CD1 3.59Å; F1026-L1034 HydrophobicContact CD2-CB 3.88Å; F1026-L1034 HydrophobicContact CD2-CD1 4.39Å; F1026-L1034 HydrophobicContact CE1-CD1 3.48Å; F1026-L1034 VanDerWaalsContact CE1-CD1 3.48Å; F1026-L1034 HydrophobicContact CE2-CB 4.06Å; F1026-L1034 HydrophobicContact CE2-CD1 4.28Å; F1026-L1034 HydrophobicContact CE2-CD2 4.48Å; F1026-L1034 HydrophobicContact CG-CB 4.1Å; F1026-L1034 HydrophobicContact CG-CD1 4.06Å; F1026-L1034 HydrophobicContact CZ-CB 4.45Å; F1026-L1034 HydrophobicContact CZ-CD1 3.83Å; F1026-L1034 HydrophobicContact CZ-CD2 4.31Å; F1026-L1034 HydrophobicContact CZ-CG 4.45Å
1027N91.8Very high90.6Very high6 Ų623 Ų233%0.03212%0.116CC..  trans-75.1130.1167.4-171.2-17.6000109F256 D1003 C1006 I1007 Q1029 P1030 A1033F256-N1027 HydrophobicContact CD2-CB 3.63Å; F256-N1027 HydrophobicContact CE2-CB 3.79Å; F256-N1027 HydrophobicContact CG-CB 4.26Å; D1003-N1027 WeakPolarHBondContact CA-ND2 3.41Å; D1003-N1027 PolarHBondContact OD1-ND2 3.28Å; C1006-N1027 VanDerWaalsContact O-CB 3.27Å; C1006-N1027 WeakPolarHBondContact O-CB 3.44Å; C1006-N1027 PolarHBondContact O-ND2 2.95Å; I1007-N1027 WeakPolarHBondContact O-CB 3.21Å; I1007-N1027 PolarHBondContact O-N 3.5Å; N1027-Q1029 PolarHBondContact OD1-N 3.04Å; N1027-P1030 HydrophobicContact CB-CG 4.32Å; N1027-P1030 WeakPolarHBondContact O-CD 3.44Å; N1027-A1033 WeakPolarHBondContact O-CB 3.05Å
1028N91Very high91.6Very high6 Ų613.9 Ų13.93%0.0327%0.073CC..SBendtrans-83-10.2-179.4-162.541.3000114.5R208 G215 R255 F1026R208-N1028 PolarHBondContact NE-O 2.62Å; R208-N1028 PolarHBondContact NH2-O 3.3Å; R208-N1028 PolarHBondContact NH2-OD1 3.22Å; R208-N1028 PolarHBondContact O-ND2 3.34Å; G215-N1028 WeakPolarHBondContact CA-ND2 3.09Å; G215-N1028 WeakPolarHBondContact CA-OD1 3.24Å; G215-N1028 PolarHBondContact O-ND2 3.47Å; G215-N1028 PolarHBondContact O-OD1 3.18Å; R255-N1028 HydrophobicContact CG-CB 4.09Å; R255-N1028 VanDerWaalsContact CZ-ND2 3.28Å; R255-N1028 VanDerWaalsContact NE-CB 3.31Å; R255-N1028 PolarHBondContact NH1-ND2 3.04Å; R255-N1028 PolarHBondContact NH2-ND2 3.13Å; F1026-N1028 HydrophobicContact CE2-CB 4.46Å
1029Q87.5Confident92.3Very high12 Ų128.7 Ų8.76%0.0565%0.046CC..SBendtrans-67.5-44.2178.9-62.4-65.1-14.400112.6G206 D1003 N1027G206-Q1029 PolarHBondContact O-NE2 3.03Å; D1003-Q1029 HydrophobicContact CB-CB 4.08Å; D1003-Q1029 HydrophobicContact CB-CG 4.42Å; N1027-Q1029 PolarHBondContact OD1-N 3.04Å
1030P88.7Confident92.7Very high1 Ų16.8 Ų6.81%0.0064%0.036CC..BIsolated β-bridgetrans-65.1134.1163.6-6.416.1000111.8L198 F199 Y948 I1007 N1027 H1032 A1033L198-P1030 CarbonylContact O-C 3.51Å; L198-P1030 WeakPolarHBondContact O-CA 3.2Å; F199-P1030 HydrophobicContact CD1-CB 4.08Å; F199-P1030 HydrophobicContact CD1-CG 4.3Å; F199-P1030 HydrophobicContact CE1-CB 3.74Å; F199-P1030 HydrophobicContact CE1-CG 3.65Å; F199-P1030 HydrophobicContact CZ-CB 4.24Å; F199-P1030 HydrophobicContact CZ-CG 4.28Å; Y948-P1030 HydrophobicContact CE1-CB 3.7Å; I1007-P1030 HydrophobicContact CD1-CB 4.29Å; I1007-P1030 HydrophobicContact CD1-CG 3.49Å; I1007-P1030 VanDerWaalsContact CD1-CG 3.49Å; I1007-P1030 HydrophobicContact CG2-CB 4.48Å; I1007-P1030 HydrophobicContact CG2-CG 4.15Å; N1027-P1030 HydrophobicContact CB-CG 4.32Å; N1027-P1030 WeakPolarHBondContact O-CD 3.44Å; P1030-H1032 PolarHBondContact O-N 3.07Å; P1030-A1033 HydrophobicContact CB-CB 4.06Å; P1030-A1033 HydrophobicContact CG-CB 4.19Å
1031L87.6Confident92.9Very high14 Ų146 Ų67%0.0733%0.031CC..THydrogen-bonded Turntrans-68.7-22.2-174.9-74.7168.9000113.6K194 S197 L198 F199 A200 Y220K194-L1031 HydrophobicContact CB-CD1 3.78Å; K194-L1031 HydrophobicContact CG-CD1 4.29Å; S197-L1031 WeakPolarHBondContact O-CD1 3.49Å; L198-L1031 PolarHBondContact O-N 3.19Å; F199-L1031 VanDerWaalsContact C-CD1 3.46Å; A200-L1031 HydrophobicContact CB-CD1 4.44Å; A200-L1031 HydrophobicContact CB-CD2 4.05Å; A200-L1031 HydrophobicContact CB-CG 4.32Å; Y220-L1031 WeakPolarHBondContact CE2-O 3.35Å
1032H92.3Very high93.1Very high2 Ų24.5 Ų4.51%0.0092%0.024CC..THydrogen-bonded Turntrans-127.219.7-169.7-45.3-49.2000112.6W193 K194 S197 Y220 L941 L943 Y948 P1030 P1035 A1036W193-H1032 PolarHBondContact O-CE1 2.79Å; K194-H1032 PolarHBondContact O-NE2 2.95Å; S197-H1032 PolarHBondContact O-NE2 3.37Å; Y220-H1032 HydrophobicContact CE2-CB 4.45Å; Y220-H1032 AromaticContact CE2-ND1 3.48Å; Y220-H1032 WeakPolarHBondContact CE2-ND1 3.12Å; Y220-H1032 AromaticContact CZ-ND1 3.64Å; Y220-H1032 PolarHBondContact OH-ND1 3.3Å; L941-H1032 HydrophobicContact CD2-CB 3.93Å; L941-H1032 WeakPolarHBondContact CD2-CD2 3.47Å; L941-H1032 WeakPolarHBondContact CD2-NE2 3.37Å; L943-H1032 HydrophobicContact CD2-CB 4.16Å; Y948-H1032 PolarHBondContact OH-O 3.17Å; P1030-H1032 PolarHBondContact O-N 3.07Å; H1032-P1035 HydrophobicContact CB-CG 4.47Å; H1032-P1035 WeakPolarHBondContact O-CG 3.2Å; H1032-A1036 WeakPolarHBondContact O-CB 3.45Å; H1032-A1036 PolarHBondContact O-N 3.22Å
1033A93.1Very high93Very high0 Ų05.1 Ų5.10%03%0.027CC..Hα-helixtrans-68.8-38.2179.200000112.4Y948 I1007 F1026 N1027 P1030 A1036 S1037Y948-A1033 PolarHBondContact OH-N 2.96Å; I1007-A1033 HydrophobicContact CG2-CB 3.81Å; F1026-A1033 HydrophobicContact CB-CB 4.11Å; N1027-A1033 WeakPolarHBondContact O-CB 3.05Å; P1030-A1033 HydrophobicContact CB-CB 4.06Å; P1030-A1033 HydrophobicContact CG-CB 4.19Å; A1033-A1036 PolarHBondContact O-N 3.45Å; A1033-S1037 WeakPolarHBondContact O-CB 3.12Å; A1033-S1037 PolarHBondContact O-N 3.33Å
1034L94.6Very high93Very high9 Ų94.3 Ų4.35%0.0472%0.022CC..Hα-helixtrans-57.1-58.5180175.659.3000113.6F59 D214 L226 L253 F1026 A1036 S1037 L1038F59-L1034 HydrophobicContact CZ-CD1 4.14Å; F59-L1034 HydrophobicContact CZ-CD2 4.49Å; D214-L1034 VanDerWaalsContact O-CD2 3.22Å; D214-L1034 WeakPolarHBondContact O-CD2 3.39Å; L226-L1034 HydrophobicContact CD1-CD1 4.01Å; L226-L1034 HydrophobicContact CD1-CD2 3.54Å; L226-L1034 HydrophobicContact CD1-CG 3.61Å; L226-L1034 HydrophobicContact CD2-CG 4.2Å; L253-L1034 HydrophobicContact CB-CD1 4.08Å; L253-L1034 HydrophobicContact CD1-CD1 3.78Å; L253-L1034 HydrophobicContact CD2-CD1 4.41Å; L253-L1034 HydrophobicContact CG-CD1 4.3Å; F1026-L1034 HydrophobicContact CD1-CB 4.49Å; F1026-L1034 HydrophobicContact CD1-CD1 3.59Å; F1026-L1034 HydrophobicContact CD2-CB 3.88Å; F1026-L1034 HydrophobicContact CD2-CD1 4.39Å; F1026-L1034 HydrophobicContact CE1-CD1 3.48Å; F1026-L1034 VanDerWaalsContact CE1-CD1 3.48Å; F1026-L1034 HydrophobicContact CE2-CB 4.06Å; F1026-L1034 HydrophobicContact CE2-CD1 4.28Å; F1026-L1034 HydrophobicContact CE2-CD2 4.48Å; F1026-L1034 HydrophobicContact CG-CB 4.1Å; F1026-L1034 HydrophobicContact CG-CD1 4.06Å; F1026-L1034 HydrophobicContact CZ-CB 4.45Å; F1026-L1034 HydrophobicContact CZ-CD1 3.83Å; F1026-L1034 HydrophobicContact CZ-CD2 4.31Å; F1026-L1034 HydrophobicContact CZ-CG 4.45Å; L1034-A1036 VanDerWaalsContact C-N 3.26Å; L1034-A1036 PolarHBondContact O-N 2.76Å; L1034-S1037 WeakPolarHBondContact O-CB 3.44Å; L1034-S1037 PolarHBondContact O-N 3.37Å; L1034-S1037 VanDerWaalsContact O-N 3.17Å; L1034-L1038 PolarHBondContact O-N 2.84Å; L1034-L1038 VanDerWaalsContact O-N 3.16Å
1035P94.7Very high92.8Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-65.9-28.1177.728.4-39.4000113.3Y220 F225 L226 Q229 L943 H1032 N1039Y220-P1035 HydrophobicContact CD1-CB 4.02Å; Y220-P1035 HydrophobicContact CD1-CG 3.81Å; Y220-P1035 HydrophobicContact CD2-CG 3.93Å; Y220-P1035 HydrophobicContact CE1-CB 4.14Å; Y220-P1035 HydrophobicContact CE1-CG 3.7Å; Y220-P1035 HydrophobicContact CE2-CG 3.8Å; Y220-P1035 HydrophobicContact CG-CB 4.39Å; Y220-P1035 HydrophobicContact CG-CG 3.95Å; F225-P1035 HydrophobicContact CE1-CB 4.33Å; L226-P1035 HydrophobicContact CD2-CB 3.76Å; Q229-P1035 PolarHBondContact NE2-O 3.16Å; L943-P1035 HydrophobicContact CD1-CB 3.88Å; L943-P1035 HydrophobicContact CD1-CG 4.3Å; L943-P1035 HydrophobicContact CD2-CB 4.31Å; L943-P1035 HydrophobicContact CD2-CG 3.83Å; L943-P1035 HydrophobicContact CG-CB 4.48Å; H1032-P1035 HydrophobicContact CB-CG 4.47Å; H1032-P1035 WeakPolarHBondContact O-CG 3.2Å; P1035-N1039 WeakPolarHBondContact O-CB 3.13Å; P1035-N1039 PolarHBondContact O-N 2.98Å
1036A93.8Very high92.6Very high2 Ų23.6 Ų3.62%0.0172%0.02CC..Hα-helixtrans-69.9-35.2174.100000112.1H1032 A1033 L1034 N1039 A1040H1032-A1036 WeakPolarHBondContact O-CB 3.45Å; H1032-A1036 PolarHBondContact O-N 3.22Å; A1033-A1036 PolarHBondContact O-N 3.45Å; L1034-A1036 VanDerWaalsContact C-N 3.26Å; L1034-A1036 PolarHBondContact O-N 2.76Å; A1036-N1039 PolarHBondContact O-N 3.38Å; A1036-A1040 PolarHBondContact O-N 3.15Å; A1036-A1040 VanDerWaalsContact O-N 3.08Å
1037S95.3Very high92.4Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-63.8-47.1174.1-169.70000110.5Y1025 A1033 L1034 N1039 A1040 L1041Y1025-S1037 PolarHBondContact O-OG 2.71Å; Y1025-S1037 VanDerWaalsContact O-OG 3.13Å; A1033-S1037 WeakPolarHBondContact O-CB 3.12Å; A1033-S1037 PolarHBondContact O-N 3.33Å; L1034-S1037 WeakPolarHBondContact O-CB 3.44Å; L1034-S1037 PolarHBondContact O-N 3.37Å; L1034-S1037 VanDerWaalsContact O-N 3.17Å; S1037-N1039 PolarHBondContact O-N 2.97Å; S1037-A1040 PolarHBondContact O-N 3.38Å; S1037-L1041 WeakPolarHBondContact O-CG 3.3Å; S1037-L1041 PolarHBondContact O-N 3.01Å; S1037-L1041 VanDerWaalsContact O-N 3.14Å
1038L95.6Very high92.2Very high0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-59.3-47.1174.9179.861000112.3I61 L226 Q229 H230 V251 L253 L1034 A1040 L1041 D1042I61-L1038 HydrophobicContact CD1-CD2 4.12Å; I61-L1038 HydrophobicContact CG2-CD1 4.16Å; L226-L1038 HydrophobicContact CB-CD2 4Å; L226-L1038 HydrophobicContact CD2-CD2 3.94Å; Q229-L1038 HydrophobicContact CB-CD2 4.44Å; Q229-L1038 HydrophobicContact CG-CD2 4.17Å; H230-L1038 HydrophobicContact CB-CD1 4.48Å; H230-L1038 HydrophobicContact CB-CD2 4.16Å; V251-L1038 HydrophobicContact CG1-CD1 3.94Å; L253-L1038 HydrophobicContact CD1-CB 4.38Å; L253-L1038 HydrophobicContact CD1-CD1 4.46Å; L253-L1038 HydrophobicContact CD2-CB 4.31Å; L1034-L1038 PolarHBondContact O-N 2.84Å; L1034-L1038 VanDerWaalsContact O-N 3.16Å; L1038-A1040 PolarHBondContact O-N 3.11Å; L1038-L1041 WeakPolarHBondContact O-CB 3.12Å; L1038-L1041 PolarHBondContact O-N 3.5Å; L1038-D1042 PolarHBondContact O-N 3.08Å
1039N95.1Very high92.1Very high5 Ų56.1 Ų6.13%0.0273%0.03CC..Hα-helixtrans-58.1-38.3177.5-170.5-13.9000111.7L943 P1035 A1036 S1037 N1043 I1060 T1062L943-N1039 PolarHBondContact O-ND2 3.27Å; P1035-N1039 WeakPolarHBondContact O-CB 3.13Å; P1035-N1039 PolarHBondContact O-N 2.98Å; A1036-N1039 PolarHBondContact O-N 3.38Å; S1037-N1039 PolarHBondContact O-N 2.97Å; N1039-N1043 WeakPolarHBondContact O-CB 3.36Å; N1039-N1043 PolarHBondContact O-N 3.09Å; N1039-N1043 PolarHBondContact O-ND2 2.99Å; N1039-N1043 PolarHBondContact OD1-ND2 3.24Å; N1039-I1060 PolarHBondContact OD1-O 2.81Å; N1039-I1060 VanDerWaalsContact OD1-O 3.1Å; N1039-T1062 PolarHBondContact ND2-N 3.24Å
1040A94.7Very high92Very high5 Ų55.6 Ų5.64%0.0413%0.027CC..Hα-helixtrans-68.1-3417700000113.2Y968 Q971 F972 I1008 A1036 S1037 L1038 A1044Y968-A1040 WeakPolarHBondContact CD2-O 3.3Å; Y968-A1040 HydrophobicContact CE2-CB 3.76Å; Q971-A1040 PolarHBondContact NE2-O 3.41Å; Q971-A1040 PolarHBondContact OE1-O 3.29Å; F972-A1040 HydrophobicContact CE1-CB 4.38Å; F972-A1040 HydrophobicContact CZ-CB 4.06Å; I1008-A1040 HydrophobicContact CD1-CB 3.79Å; A1036-A1040 PolarHBondContact O-N 3.15Å; A1036-A1040 VanDerWaalsContact O-N 3.08Å; S1037-A1040 PolarHBondContact O-N 3.38Å; L1038-A1040 PolarHBondContact O-N 3.11Å; A1040-A1044 PolarHBondContact O-N 3.19Å
1041L94.6Very high91.7Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-70.6-46.9175.8-62.9165.6000111V251 L253 Y968 A1010 M1022 S1037 L1038 N1043 A1044 I1045V251-L1041 HydrophobicContact CG1-CD1 3.67Å; L253-L1041 HydrophobicContact CD2-CD1 4Å; Y968-L1041 HydrophobicContact CD2-CD2 4.26Å; Y968-L1041 HydrophobicContact CE2-CD2 3.83Å; Y968-L1041 HydrophobicContact CE2-CG 4.37Å; A1010-L1041 HydrophobicContact CB-CD2 4.09Å; M1022-L1041 HydrophobicContact CB-CD2 4.29Å; M1022-L1041 HydrophobicContact CE-CB 4.2Å; M1022-L1041 HydrophobicContact CE-CD2 3.91Å; S1037-L1041 WeakPolarHBondContact O-CG 3.3Å; S1037-L1041 PolarHBondContact O-N 3.01Å; S1037-L1041 VanDerWaalsContact O-N 3.14Å; L1038-L1041 WeakPolarHBondContact O-CB 3.12Å; L1038-L1041 PolarHBondContact O-N 3.5Å; L1041-N1043 VanDerWaalsContact C-N 3.3Å; L1041-N1043 PolarHBondContact O-N 3.23Å; L1041-A1044 WeakPolarHBondContact O-CB 3.24Å; L1041-A1044 PolarHBondContact O-N 2.87Å; L1041-I1045 PolarHBondContact O-N 3.31Å
1042D93.8Very high91.3Very high1 Ų113.3 Ų13.31%0.0058%0.075CC..Hα-helixtrans-63.7-37179.7-74.5-25.8000111.7H230 D233 L1038 A1044 I1045 L1046H230-D1042 IonicContact CE1-OD1 3.15Å; H230-D1042 PolarHBondContact CE1-OD1 3.19Å; H230-D1042 IonicContact CE1-OD2 2.86Å; H230-D1042 IonicContact CG-OD2 3.12Å; H230-D1042 VanDerWaalsContact ND1-CG 3.32Å; H230-D1042 IonicContact ND1-OD1 3.68Å; H230-D1042 PolarHBondContact ND1-OD1 3.24Å; H230-D1042 IonicContact ND1-OD2 3.51Å; H230-D1042 PolarHBondContact ND1-OD2 2.86Å; D233-D1042 HydrophobicContact CB-CB 4.01Å; L1038-D1042 PolarHBondContact O-N 3.08Å; D1042-A1044 VanDerWaalsContact C-N 3.34Å; D1042-A1044 PolarHBondContact O-N 3.36Å; D1042-I1045 PolarHBondContact O-N 2.8Å; D1042-L1046 WeakPolarHBondContact O-CB 3.39Å; D1042-L1046 PolarHBondContact O-N 3.15Å
1043N92.9Very high90.6Very high12 Ų1215.7 Ų15.76%0.0649%0.092CC..Hα-helixtrans-64-35.1171-87.5-53.8000113.7N1039 L1041 R1047 S1059 I1060N1039-N1043 WeakPolarHBondContact O-CB 3.36Å; N1039-N1043 PolarHBondContact O-N 3.09Å; N1039-N1043 PolarHBondContact O-ND2 2.99Å; N1039-N1043 PolarHBondContact OD1-ND2 3.24Å; L1041-N1043 VanDerWaalsContact C-N 3.3Å; L1041-N1043 PolarHBondContact O-N 3.23Å; N1043-R1047 WeakPolarHBondContact O-CB 3.39Å; N1043-R1047 VanDerWaalsContact O-CG 3.26Å; N1043-R1047 WeakPolarHBondContact O-CG 3.48Å; N1043-R1047 PolarHBondContact O-N 3.26Å; N1043-S1059 VanDerWaalsContact OD1-CA 3.28Å; N1043-S1059 WeakPolarHBondContact OD1-CA 3.23Å; N1043-I1060 PolarHBondContact ND2-O 3.15Å; N1043-I1060 PolarHBondContact OD1-N 3.32Å; N1043-I1060 PolarHBondContact OD1-O 2.64Å
1044A91.9Very high89.5Confident0 Ų019.1 Ų19.10%013%0.127CC..Hα-helixtrans-67.7-40.617600000111.5Y968 M1022 A1040 L1041 D1042 R1047 L1048Y968-A1044 HydrophobicContact CD2-CB 3.75Å; Y968-A1044 HydrophobicContact CG-CB 4.2Å; M1022-A1044 HydrophobicContact CE-CB 4.25Å; A1040-A1044 PolarHBondContact O-N 3.19Å; L1041-A1044 WeakPolarHBondContact O-CB 3.24Å; L1041-A1044 PolarHBondContact O-N 2.87Å; D1042-A1044 VanDerWaalsContact C-N 3.34Å; D1042-A1044 PolarHBondContact O-N 3.36Å; A1044-R1047 PolarHBondContact O-N 3.43Å; A1044-L1048 WeakPolarHBondContact O-CB 3.42Å; A1044-L1048 PolarHBondContact O-N 3.21Å
1045I91.6Very high88.4Confident0 Ų020.9 Ų20.90%014%0.136CC..Hα-helixtrans-63-47.8174.1-62.5166.6000110.3I237 L246 Y249 V251 I964 M1022 L1041 D1042 R1047 L1048 L1049I237-I1045 HydrophobicContact CD1-CG2 4.39Å; L246-I1045 HydrophobicContact CD1-CG2 3.48Å; L246-I1045 VanDerWaalsContact CD1-CG2 3.48Å; Y249-I1045 HydrophobicContact CD2-CG2 4.25Å; Y249-I1045 HydrophobicContact CG-CG1 4.36Å; V251-I1045 HydrophobicContact CG2-CD1 4.04Å; I964-I1045 HydrophobicContact CD1-CG1 4.29Å; M1022-I1045 HydrophobicContact CE-CD1 4.4Å; M1022-I1045 HydrophobicContact CE-CG1 3.96Å; M1022-I1045 HydrophobicContact SD-CD1 3.78Å; M1022-I1045 HydrophobicContact SD-CG1 3.62Å; L1041-I1045 PolarHBondContact O-N 3.31Å; D1042-I1045 PolarHBondContact O-N 2.8Å; I1045-R1047 VanDerWaalsContact C-N 3.34Å; I1045-R1047 PolarHBondContact O-N 2.93Å; I1045-L1048 PolarHBondContact O-N 3.36Å; I1045-L1049 HydrophobicContact CG2-CD1 3.75Å; I1045-L1049 HydrophobicContact CG2-CG 4.27Å; I1045-L1049 WeakPolarHBondContact O-CB 3.31Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.31Å
1046L90.2Very high87.2Confident0 Ų027.2 Ų27.20%017%0.166CC..Hα-helixtrans-56.2-48.8176.4177.259.2000111.5I237 L240 T241 D1042 L1048 L1049 S1050 R1058 I1060I237-L1046 HydrophobicContact CB-CD1 4.49Å; I237-L1046 HydrophobicContact CD1-CB 4.22Å; I237-L1046 HydrophobicContact CG1-CB 3.89Å; I237-L1046 HydrophobicContact CG1-CD1 3.98Å; I237-L1046 HydrophobicContact CG1-CG 4.41Å; I237-L1046 HydrophobicContact CG2-CD1 4.46Å; L240-L1046 HydrophobicContact CD1-CD1 3.85Å; T241-L1046 HydrophobicContact CG2-CD1 4.5Å; D1042-L1046 WeakPolarHBondContact O-CB 3.39Å; D1042-L1046 PolarHBondContact O-N 3.15Å; L1046-L1048 PolarHBondContact O-N 2.87Å; L1046-L1049 PolarHBondContact O-N 3.44Å; L1046-S1050 WeakPolarHBondContact O-CB 3.3Å; L1046-S1050 PolarHBondContact O-N 3.06Å; L1046-S1050 PolarHBondContact O-OG 2.82Å; L1046-R1058 HydrophobicContact CD2-CB 4.06Å; L1046-I1060 HydrophobicContact CD2-CD1 3.79Å; L1046-I1060 HydrophobicContact CD2-CG1 3.72Å
1047R89.1Confident85.9Confident43 Ų4330 Ų3016%0.16219%0.188CC..Hα-helixtrans-63.5-41.8-178.4-77.2176.2174.4-144.97.6111.9H967 S970 Q971 N1043 A1044 I1045 S1050 N1051H967-R1047 HydrophobicContact CB-CB 4.03Å; S970-R1047 VanDerWaalsContact C-NH1 3.26Å; S970-R1047 PolarHBondContact O-NH1 3.41Å; S970-R1047 PolarHBondContact OG-NH1 2.91Å; Q971-R1047 VanDerWaalsContact CA-CZ 3.45Å; N1043-R1047 WeakPolarHBondContact O-CB 3.39Å; N1043-R1047 VanDerWaalsContact O-CG 3.26Å; N1043-R1047 WeakPolarHBondContact O-CG 3.48Å; N1043-R1047 PolarHBondContact O-N 3.26Å; A1044-R1047 PolarHBondContact O-N 3.43Å; I1045-R1047 VanDerWaalsContact C-N 3.34Å; I1045-R1047 PolarHBondContact O-N 2.93Å; R1047-S1050 WeakPolarHBondContact CA-OG 3Å; R1047-S1050 PolarHBondContact O-OG 3.01Å; R1047-N1051 VanDerWaalsContact O-CB 3.25Å; R1047-N1051 WeakPolarHBondContact O-CB 3.09Å; R1047-N1051 PolarHBondContact O-N 2.98Å
1048L88.8Confident85.2Confident22 Ų2231.4 Ų31.412%0.11519%0.194CC..Hα-helixtrans-62.2-52.6176-179.772000111.8Y249 A963 I964 A1044 I1045 L1046 S1050 N1051 S1052Y249-L1048 HydrophobicContact CE1-CD2 3.8Å; Y249-L1048 HydrophobicContact CE2-CD2 4.25Å; Y249-L1048 VanDerWaalsContact CZ-CD2 3.47Å; Y249-L1048 WeakPolarHBondContact OH-CD2 3.44Å; A963-L1048 HydrophobicContact CB-CD1 3.76Å; I964-L1048 HydrophobicContact CB-CD2 3.91Å; I964-L1048 HydrophobicContact CD1-CD2 3.93Å; I964-L1048 HydrophobicContact CG1-CD2 4.12Å; A1044-L1048 WeakPolarHBondContact O-CB 3.42Å; A1044-L1048 PolarHBondContact O-N 3.21Å; I1045-L1048 PolarHBondContact O-N 3.36Å; L1046-L1048 PolarHBondContact O-N 2.87Å; L1048-S1050 VanDerWaalsContact C-N 3.35Å; L1048-S1050 PolarHBondContact O-N 3.18Å; L1048-N1051 PolarHBondContact O-N 3.1Å; L1048-S1052 PolarHBondContact O-N 3.39Å
1049L88.6Confident84.8Confident0 Ų032.8 Ų32.80%020%0.203CC..Hα-helixtrans-70.6-30.9-177.5-65.4179.4000112.5I237 T241 E245 L246 Y249 I1045 L1046 S1052 S1053I237-L1049 HydrophobicContact CG2-CD1 3.81Å; T241-L1049 HydrophobicContact CG2-CB 3.75Å; E245-L1049 HydrophobicContact CB-CD2 3.93Å; L246-L1049 HydrophobicContact CB-CD1 4.05Å; L246-L1049 HydrophobicContact CD1-CD1 3.97Å; Y249-L1049 HydrophobicContact CE2-CD2 4.16Å; I1045-L1049 HydrophobicContact CG2-CD1 3.75Å; I1045-L1049 HydrophobicContact CG2-CG 4.27Å; I1045-L1049 WeakPolarHBondContact O-CB 3.31Å; I1045-L1049 WeakPolarHBondContact O-CG 3.49Å; I1045-L1049 PolarHBondContact O-N 3.31Å; L1046-L1049 PolarHBondContact O-N 3.44Å; L1049-S1052 WeakPolarHBondContact CA-OG 3.44Å; L1049-S1052 PolarHBondContact O-OG 2.72Å; L1049-S1053 VanDerWaalsContact O-CB 3.31Å; L1049-S1053 WeakPolarHBondContact O-CB 3.18Å; L1049-S1053 PolarHBondContact O-N 3.37Å; L1049-S1053 PolarHBondContact O-OG 3.49Å
1050S85.2Confident84.6Confident1 Ų132.6 Ų32.61%0.00720%0.203CC..Hα-helixtrans-66.6-43.6172.366.20000111L1046 R1047 L1048 S1053 G1054 I1055L1046-S1050 WeakPolarHBondContact O-CB 3.3Å; L1046-S1050 PolarHBondContact O-N 3.06Å; L1046-S1050 PolarHBondContact O-OG 2.82Å; R1047-S1050 WeakPolarHBondContact CA-OG 3Å; R1047-S1050 PolarHBondContact O-OG 3.01Å; L1048-S1050 VanDerWaalsContact C-N 3.35Å; L1048-S1050 PolarHBondContact O-N 3.18Å; S1050-S1053 CarbonylContact O-C 3.56Å; S1050-S1053 PolarHBondContact O-N 3.44Å; S1050-G1054 PolarHBondContact O-N 3.16Å; S1050-G1054 VanDerWaalsContact O-N 3.14Å; S1050-I1055 CarbonylContact C-O 3.48Å; S1050-I1055 WeakPolarHBondContact O-CB 3.1Å; S1050-I1055 PolarHBondContact O-N 3.16Å
1051N82.1Confident84.5Confident100 Ų10033.2 Ų33.254%0.53521%0.206SC..Hα-helixtrans-65.3-41.5177.6-168.727.9000111.6H967 R1047 L1048 S1053 G1054H967-N1051 PolarHBondContact CE1-ND2 3.3Å; H967-N1051 VanDerWaalsContact CE1-ND2 3.33Å; H967-N1051 PolarHBondContact NE2-ND2 3.49Å; R1047-N1051 VanDerWaalsContact O-CB 3.25Å; R1047-N1051 WeakPolarHBondContact O-CB 3.09Å; R1047-N1051 PolarHBondContact O-N 2.98Å; L1048-N1051 PolarHBondContact O-N 3.1Å; N1051-S1053 VanDerWaalsContact C-N 3.26Å; N1051-S1053 PolarHBondContact O-N 2.66Å; N1051-G1054 PolarHBondContact O-N 3.35Å; N1051-G1054 VanDerWaalsContact O-N 3.11Å
1052S78.7Confident84.5Confident77 Ų7733.2 Ų33.254%0.53821%0.206SC..Hα-helixtrans-64.5-30.9174.367.30000112.7L1048 L1049 G1054L1048-S1052 PolarHBondContact O-N 3.39Å; L1049-S1052 WeakPolarHBondContact CA-OG 3.44Å; L1049-S1052 PolarHBondContact O-OG 2.72Å; S1052-G1054 VanDerWaalsContact C-N 3.3Å; S1052-G1054 PolarHBondContact O-N 2.75Å
1053S77.3Confident84.5Confident52 Ų5233.6 Ų33.636%0.36421%0.208SC..THydrogen-bonded Turntrans-81.8-1.7175.2-52.60000113.9L1049 S1050 N1051 I1055L1049-S1053 VanDerWaalsContact O-CB 3.31Å; L1049-S1053 WeakPolarHBondContact O-CB 3.18Å; L1049-S1053 PolarHBondContact O-N 3.37Å; L1049-S1053 PolarHBondContact O-OG 3.49Å; S1050-S1053 CarbonylContact O-C 3.56Å; S1050-S1053 PolarHBondContact O-N 3.44Å; N1051-S1053 VanDerWaalsContact C-N 3.26Å; N1051-S1053 PolarHBondContact O-N 2.66Å; S1053-I1055 VanDerWaalsContact C-N 3.35Å
1054G71.6Confident84.6Confident72 Ų7233 Ų3374%0.74221%0.205SC*.THydrogen-bonded Turntrans74.119.6-176.500000114.9S1050 N1051 S1052S1050-G1054 PolarHBondContact O-N 3.16Å; S1050-G1054 VanDerWaalsContact O-N 3.14Å; N1051-G1054 PolarHBondContact O-N 3.35Å; N1051-G1054 VanDerWaalsContact O-N 3.11Å; S1052-G1054 VanDerWaalsContact C-N 3.3Å; S1052-G1054 PolarHBondContact O-N 2.75Å
1055I70.7Confident84.6Confident47 Ų4734.6 Ų34.624%0.24121%0.212CC..  trans-98.6136.8-179.6-56.4172000108.9L240 S1050 S1053L240-I1055 VanDerWaalsContact O-CD1 3.28Å; L240-I1055 WeakPolarHBondContact O-CD1 3.26Å; S1050-I1055 CarbonylContact C-O 3.48Å; S1050-I1055 WeakPolarHBondContact O-CB 3.1Å; S1050-I1055 PolarHBondContact O-N 3.16Å; S1053-I1055 VanDerWaalsContact C-N 3.35Å
1056E69.6Low84.4Confident132 Ų13234.7 Ų34.762%0.61721%0.212SC*.  trans-60.6153.5175.3-71.3-167.7-166.800112.8V155 R1058V155-E1056 HydrophobicContact CG1-CB 3.64Å; V155-E1056 HydrophobicContact CG1-CG 3.65Å; V155-E1056 WeakPolarHBondContact CG1-OE2 3.18Å; E1056-R1058 PolarHBondContact O-N 2.84Å; E1056-R1058 VanDerWaalsContact O-N 3.11Å
1057A66.7Low84.2Confident60 Ų6034.7 Ų34.750%0.49621%0.213SC..  trans-56.6114-175.800000112.3
1058R81.1Confident83.9Confident30 Ų3035 Ų3511%0.11322%0.22CC..  trans-100.5163.2171.1-69.2173.3175.2151.9-5.3110.2L152 L1046 E1056L152-R1058 PolarHBondContact O-NH2 2.85Å; L152-R1058 VanDerWaalsContact O-NH2 3.09Å; L1046-R1058 HydrophobicContact CD2-CB 4.06Å; E1056-R1058 PolarHBondContact O-N 2.84Å; E1056-R1058 VanDerWaalsContact O-N 3.11Å
1059S87.3Confident83.1Confident29 Ų2934.9 Ų34.920%0.20322%0.221CC..EExtended strand (participates in β ladder)trans-135.5153.6168.262.90000111.5S157 N158 L159 N1043S157-S1059 PolarHBondContact O-N 3.01Å; N158-S1059 CarbonylContact C-O 3.49Å; N158-S1059 WeakPolarHBondContact CA-O 3.47Å; N158-S1059 PolarHBondContact OD1-O 3.46Å; N158-S1059 PolarHBondContact OD1-OG 2.63Å; L159-S1059 PolarHBondContact N-O 3Å; N1043-S1059 VanDerWaalsContact OD1-CA 3.28Å; N1043-S1059 WeakPolarHBondContact OD1-CA 3.23Å
1060I91Very high82.1Confident2 Ų235.4 Ų35.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-110.1136.9172.6-62.2164.5000107.8L159 Y161 D233 I236 I237 N1039 N1043 L1046L159-I1060 HydrophobicContact CB-CG1 4.43Å; L159-I1060 CarbonylContact O-C 3.58Å; L159-I1060 WeakPolarHBondContact O-CA 3.39Å; Y161-I1060 HydrophobicContact CD1-CG2 4.19Å; Y161-I1060 HydrophobicContact CE1-CG2 3.66Å; D233-I1060 WeakPolarHBondContact OD1-CG2 3.5Å; I236-I1060 HydrophobicContact CB-CD1 4.06Å; I236-I1060 HydrophobicContact CG2-CD1 3.72Å; I236-I1060 HydrophobicContact CG2-CG1 4.12Å; I237-I1060 HydrophobicContact CG1-CD1 4.1Å; N1039-I1060 PolarHBondContact OD1-O 2.81Å; N1039-I1060 VanDerWaalsContact OD1-O 3.1Å; N1043-I1060 PolarHBondContact ND2-O 3.15Å; N1043-I1060 PolarHBondContact OD1-N 3.32Å; N1043-I1060 PolarHBondContact OD1-O 2.64Å; L1046-I1060 HydrophobicContact CD2-CD1 3.79Å; L1046-I1060 HydrophobicContact CD2-CG1 3.72Å
1061T91.9Very high80.9Confident17 Ų1742.7 Ų42.710%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-124.9116.2171.7-52.90000110N158 L159 R160 Y161 T942N158-T1061 VanDerWaalsContact CG-OG1 3.23Å; N158-T1061 PolarHBondContact ND2-OG1 2.8Å; N158-T1061 PolarHBondContact OD1-OG1 3.04Å; L159-T1061 PolarHBondContact O-N 3.19Å; R160-T1061 WeakPolarHBondContact CA-O 3.33Å; Y161-T1061 PolarHBondContact N-O 2.91Å; T942-T1061 HydrophobicContact CG2-CG2 4.45Å
1062T93.8Very high79.6Confident0 Ų041.5 Ų41.50%025%0.251CS..EExtended strand (participates in β ladder)trans-86137.3172.6-450000110.5Y161 I163 F225 Q229 L943 N1039Y161-T1062 HydrophobicContact CE1-CG2 4.46Å; Y161-T1062 HydrophobicContact CE2-CG2 3.75Å; Y161-T1062 PolarHBondContact OH-OG1 3.08Å; Y161-T1062 VanDerWaalsContact OH-OG1 3.05Å; I163-T1062 HydrophobicContact CD1-CG2 3.8Å; I163-T1062 HydrophobicContact CG1-CG2 4.15Å; F225-T1062 HydrophobicContact CZ-CG2 4.47Å; Q229-T1062 HydrophobicContact CG-CG2 4.02Å; L943-T1062 WeakPolarHBondContact CB-O 3.33Å; L943-T1062 HydrophobicContact CD1-CG2 4.05Å; L943-T1062 PolarHBondContact N-O 3.05Å; N1039-T1062 PolarHBondContact ND2-N 3.24Å
1063I94.8Very high78.6Confident10 Ų1038.2 Ų38.25%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-118.7123.4177.6-58.1172.3000108.6E145 Y161 K162 I163 P940 L941 T942 H1065E145-I1063 WeakPolarHBondContact OE1-CD1 3.43Å; Y161-I1063 PolarHBondContact O-N 3.2Å; K162-I1063 CarbonylContact C-O 3.42Å; K162-I1063 VanDerWaalsContact CA-O 3.25Å; K162-I1063 WeakPolarHBondContact CA-O 3.38Å; K162-I1063 HydrophobicContact CB-CB 4.18Å; K162-I1063 HydrophobicContact CB-CG2 4.46Å; K162-I1063 HydrophobicContact CG-CB 4.03Å; K162-I1063 HydrophobicContact CG-CD1 4.2Å; K162-I1063 HydrophobicContact CG-CG2 4.22Å; I163-I1063 PolarHBondContact N-O 2.9Å; P940-I1063 HydrophobicContact CB-CG2 3.85Å; L941-I1063 CarbonylContact O-C 3.58Å; L941-I1063 WeakPolarHBondContact O-CA 3.47Å; L941-I1063 WeakPolarHBondContact O-CG2 3.28Å; T942-I1063 HydrophobicContact CG2-CD1 4.39Å; T942-I1063 HydrophobicContact CG2-CG1 4.05Å; I1063-H1065 HydrophobicContact CG2-CB 4.45Å; I1063-H1065 PolarHBondContact O-N 2.98Å
1064N94Very high77.7Confident0 Ų038.4 Ų38.40%022%0.224CC..EExtended strand (participates in β ladder)trans-81.3114.5167.4-174.7-2.6000108.8T195 Y220 F225 P940 L941 L943T195-N1064 HydrophobicContact CG2-CB 4.15Å; Y220-N1064 PolarHBondContact OH-ND2 3.42Å; F225-N1064 HydrophobicContact CE2-CB 3.94Å; F225-N1064 HydrophobicContact CZ-CB 3.84Å; P940-N1064 WeakPolarHBondContact CA-O 3.34Å; L941-N1064 PolarHBondContact N-O 2.97Å; L941-N1064 PolarHBondContact O-N 3.45Å; L943-N1064 HydrophobicContact CD1-CB 3.98Å; L943-N1064 HydrophobicContact CD2-CB 4.15Å; L943-N1064 HydrophobicContact CG-CB 4.19Å
1065H92.4Very high76.8Confident32 Ų3237.5 Ų37.515%0.14820%0.202CC..  trans-133.888.7177.1-167.8178.8000109.9K162 I163 R164 P940 I1063K162-H1065 HydrophobicContact CB-CB 4.23Å; K162-H1065 HydrophobicContact CD-CB 4.47Å; I163-H1065 CarbonylContact O-C 3.59Å; I163-H1065 PolarHBondContact O-N 3.09Å; R164-H1065 VanDerWaalsContact CA-O 3.3Å; R164-H1065 WeakPolarHBondContact CA-O 3.43Å; R164-H1065 WeakPolarHBondContact CB-O 3.42Å; R164-H1065 VanDerWaalsContact CG-O 3.27Å; R164-H1065 WeakPolarHBondContact CG-O 3.43Å; R164-H1065 PolarHBondContact NE-O 3.38Å; R164-H1065 VanDerWaalsContact NE-O 3.16Å; R164-H1065 PolarHBondContact NH1-CE1 2.97Å; R164-H1065 PolarHBondContact NH1-ND1 3.24Å; R164-H1065 PolarHBondContact NH1-NE2 3.4Å; R164-H1065 PolarHBondContact NH2-CD2 2.87Å; R164-H1065 PolarHBondContact NH2-NE2 2.96Å; P940-H1065 HydrophobicContact CB-CB 4.06Å; I1063-H1065 HydrophobicContact CG2-CB 4.45Å; I1063-H1065 PolarHBondContact O-N 2.98Å
1066P88.5Confident76Confident2 Ų236.9 Ų36.91%0.01320%0.201CC..PPolyproline II helixtrans-56.9153.4-175.5-23.533.2000112.7R164 W193 T195R164-P1066 PolarHBondContact NH2-O 2.79Å; W193-P1066 HydrophobicContact CB-CG 3.66Å; W193-P1066 VanDerWaalsContact CD1-CG 3.42Å; W193-P1066 HydrophobicContact CG-CB 4.31Å; W193-P1066 HydrophobicContact CG-CG 3.63Å; T195-P1066 HydrophobicContact CG2-CG 3.99Å
1067L86.2Confident75.2Confident1 Ų131 Ų311%0.00517%0.173CC..PPolyproline II helixtrans-63.1158172.4-71.2165.4000110.9Q121 I124 M125 M128 R164 L165 N167Q121-L1067 HydrophobicContact CG-CD2 4.11Å; I124-L1067 HydrophobicContact CB-CD1 4.46Å; I124-L1067 HydrophobicContact CD1-CD2 4.2Å; I124-L1067 HydrophobicContact CG2-CD1 3.52Å; I124-L1067 HydrophobicContact CG2-CD2 4.47Å; M125-L1067 HydrophobicContact CE-CB 3.92Å; M125-L1067 HydrophobicContact CE-CD1 4.12Å; M125-L1067 HydrophobicContact CE-CG 4.48Å; M125-L1067 HydrophobicContact SD-CB 4.46Å; M128-L1067 HydrophobicContact SD-CD1 3.73Å; R164-L1067 HydrophobicContact CB-CD2 4.01Å; R164-L1067 HydrophobicContact CB-CG 4.15Å; L165-L1067 WeakPolarHBondContact O-CB 3.43Å; L165-L1067 VanDerWaalsContact O-CG 3.31Å; L165-L1067 WeakPolarHBondContact O-CG 3.16Å; L165-L1067 PolarHBondContact O-N 3.2Å; N167-L1067 WeakPolarHBondContact CB-O 3.4Å; N167-L1067 PolarHBondContact ND2-O 3.37Å
1068P80.8Confident74.5Confident50 Ų5032.9 Ų32.933%0.32517%0.168SC..PPolyproline II helixtrans-51.8145.6166.5-21.332.4000110.5M125 T1070M125-P1068 HydrophobicContact SD-CB 3.95Å; M125-P1068 HydrophobicContact SD-CG 4.19Å; P1068-T1070 PolarHBondContact O-N 3.48Å
1069P73Confident72.9Confident19 Ų1932.6 Ų32.612%0.12317%0.166CC..PPolyproline II helixtrans-69.6132179.423.5-24.9000110.9N167 K936 D1073 N1074N167-P1069 HydrophobicContact CB-CB 4.03Å; N167-P1069 WeakPolarHBondContact ND2-CD 3.32Å; K936-P1069 WeakPolarHBondContact O-CD 3.42Å; K936-P1069 VanDerWaalsContact O-CG 3.29Å; K936-P1069 WeakPolarHBondContact O-CG 3.48Å; P1069-D1073 WeakPolarHBondContact CA-OD2 3.29Å; P1069-D1073 HydrophobicContact CB-CB 3.62Å; P1069-N1074 WeakPolarHBondContact CG-OD1 3.37Å; P1069-N1074 PolarHBondContact O-ND2 2.85Å
1070T66.8Low71.2Confident10 Ų1033.6 Ų33.66%0.06117%0.168CC..PPolyproline II helixtrans-66.6172.4166.567.20000111.1M125 M128 P1068 L1072 D1073 N1074M125-T1070 HydrophobicContact CE-CG2 3.99Å; M128-T1070 HydrophobicContact CB-CG2 4.03Å; P1068-T1070 PolarHBondContact O-N 3.48Å; T1070-L1072 PolarHBondContact O-N 3.5Å; T1070-L1072 PolarHBondContact OG1-N 2.85Å; T1070-D1073 PolarHBondContact N-OD2 3.41Å; T1070-D1073 PolarHBondContact O-N 3.21Å; T1070-D1073 PolarHBondContact OG1-N 3.39Å; T1070-D1073 PolarHBondContact OG1-OD1 3.39Å; T1070-D1073 PolarHBondContact OG1-OD2 3.27Å; T1070-N1074 PolarHBondContact O-N 3.24Å; T1070-N1074 PolarHBondContact O-ND2 2.86Å
1071E60Low69.2Low154 Ų15434.8 Ų34.872%0.7218%0.176SC*.Hα-helixtrans-56.8-40.2171.1-71.1-171.7166.800111.9N1074 L1075E1071-N1074 PolarHBondContact O-N 2.89Å; E1071-L1075 WeakPolarHBondContact O-CG 3.4Å; E1071-L1075 PolarHBondContact O-N 3.33Å; E1071-L1075 VanDerWaalsContact O-N 3.11Å
1072L56.3Low67.3Low76 Ų7634.9 Ų34.940%0.39818%0.18SC..Hα-helixtrans-65.5-43.7175.2-17466.7000112.1T1070 N1074 L1075 V1076T1070-L1072 PolarHBondContact O-N 3.5Å; T1070-L1072 PolarHBondContact OG1-N 2.85Å; L1072-N1074 VanDerWaalsContact C-N 3.28Å; L1072-N1074 PolarHBondContact O-N 2.85Å; L1072-L1075 WeakPolarHBondContact O-CB 3.34Å; L1072-L1075 PolarHBondContact O-N 3.28Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.24Å; L1072-V1076 PolarHBondContact O-N 2.88Å
1073D57.2Low65.6Low8 Ų838.3 Ų38.34%0.04320%0.197CC..Hα-helixtrans-64-37.1178.4-58.3-10000110.9N167 T168 P1069 T1070 L1075 V1076 N1077N167-D1073 HydrophobicContact CB-CB 4.11Å; N167-D1073 WeakPolarHBondContact CB-OD2 3.49Å; T168-D1073 HydrophobicContact CG2-CB 4Å; T168-D1073 VanDerWaalsContact OG1-CG 3.31Å; T168-D1073 PolarHBondContact OG1-OD1 2.74Å; P1069-D1073 WeakPolarHBondContact CA-OD2 3.29Å; P1069-D1073 HydrophobicContact CB-CB 3.62Å; T1070-D1073 PolarHBondContact N-OD2 3.41Å; T1070-D1073 PolarHBondContact O-N 3.21Å; T1070-D1073 PolarHBondContact OG1-N 3.39Å; T1070-D1073 PolarHBondContact OG1-OD1 3.39Å; T1070-D1073 PolarHBondContact OG1-OD2 3.27Å; D1073-L1075 VanDerWaalsContact C-N 3.34Å; D1073-V1076 PolarHBondContact O-N 3.17Å; D1073-N1077 WeakPolarHBondContact O-CB 3.33Å; D1073-N1077 VanDerWaalsContact O-CG 3.26Å; D1073-N1077 PolarHBondContact O-N 2.97Å; D1073-N1077 PolarHBondContact O-ND2 3.48Å
1074N58.3Low64.2Low56 Ų5638.2 Ų38.230%0.29920%0.197SC..Hα-helixtrans-63.9-40.5174.7-75-53.3000111.1P1069 T1070 E1071 L1072 W1078P1069-N1074 WeakPolarHBondContact CG-OD1 3.37Å; P1069-N1074 PolarHBondContact O-ND2 2.85Å; T1070-N1074 PolarHBondContact O-N 3.24Å; T1070-N1074 PolarHBondContact O-ND2 2.86Å; E1071-N1074 PolarHBondContact O-N 2.89Å; L1072-N1074 VanDerWaalsContact C-N 3.28Å; L1072-N1074 PolarHBondContact O-N 2.85Å; N1074-W1078 WeakPolarHBondContact O-CB 3.42Å; N1074-W1078 PolarHBondContact O-N 3.26Å
1075L53.4Low63.3Low52 Ų5239.4 Ų39.427%0.27220%0.203SC..Hα-helixtrans-63.1-48.6175.4-69.9166000111.4E1071 L1072 D1073 W1078 W1079 P1263E1071-L1075 WeakPolarHBondContact O-CG 3.4Å; E1071-L1075 PolarHBondContact O-N 3.33Å; E1071-L1075 VanDerWaalsContact O-N 3.11Å; L1072-L1075 WeakPolarHBondContact O-CB 3.34Å; L1072-L1075 PolarHBondContact O-N 3.28Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å; D1073-L1075 VanDerWaalsContact C-N 3.34Å; L1075-W1078 WeakPolarHBondContact O-CA 3.32Å; L1075-W1078 VanDerWaalsContact O-CB 3.24Å; L1075-W1078 WeakPolarHBondContact O-CB 3.32Å; L1075-W1078 PolarHBondContact O-N 3.23Å; L1075-W1078 VanDerWaalsContact O-N 3.09Å; L1075-W1079 PolarHBondContact O-N 3.32Å; L1075-P1263 HydrophobicContact CD1-CG 4.12Å
1076V54.1Low62.6Low35 Ų3539.4 Ų39.421%0.21220%0.202CC..Hα-helixtrans-62.8-44.6178.4168.90000112T168 L191 L1072 D1073 W1078 W1079T168-V1076 HydrophobicContact CG2-CB 4.26Å; T168-V1076 HydrophobicContact CG2-CG1 3.9Å; L191-V1076 HydrophobicContact CB-CG1 3.36Å; L191-V1076 HydrophobicContact CD1-CG1 3.47Å; L191-V1076 VanDerWaalsContact CD1-CG1 3.47Å; L191-V1076 HydrophobicContact CD2-CG1 4.35Å; L191-V1076 HydrophobicContact CG-CG1 3.86Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.24Å; L1072-V1076 PolarHBondContact O-N 2.88Å; D1073-V1076 PolarHBondContact O-N 3.17Å; V1076-W1078 PolarHBondContact O-N 3.02Å; V1076-W1079 WeakPolarHBondContact O-CB 3.31Å; V1076-W1079 PolarHBondContact O-N 2.92Å
1077N52.2Low62.2Low7 Ų739.4 Ų39.44%0.03720%0.202CC..Hα-helixtrans-62.2-28.2174.4-81.3-52.2000112.3N167 N935 D1073N167-N1077 PolarHBondContact OD1-ND2 3.3Å; N935-N1077 HydrophobicContact CB-CB 3.82Å; N935-N1077 PolarHBondContact ND2-OD1 2.87Å; N935-N1077 VanDerWaalsContact ND2-OD1 3.08Å; D1073-N1077 WeakPolarHBondContact O-CB 3.33Å; D1073-N1077 VanDerWaalsContact O-CG 3.26Å; D1073-N1077 PolarHBondContact O-N 2.97Å; D1073-N1077 PolarHBondContact O-ND2 3.48Å
1078W52.2Low62.2Low100 Ų10039.6 Ų39.638%0.37920%0.203SC..Hα-helixtrans-69.7-32.7176.3-13361.3000112.7N1074 L1075 V1076 E1080 T1081 V1159 F1256N1074-W1078 WeakPolarHBondContact O-CB 3.42Å; N1074-W1078 PolarHBondContact O-N 3.26Å; L1075-W1078 WeakPolarHBondContact O-CA 3.32Å; L1075-W1078 VanDerWaalsContact O-CB 3.24Å; L1075-W1078 WeakPolarHBondContact O-CB 3.32Å; L1075-W1078 PolarHBondContact O-N 3.23Å; L1075-W1078 VanDerWaalsContact O-N 3.09Å; V1076-W1078 PolarHBondContact O-N 3.02Å; W1078-E1080 PolarHBondContact O-N 3.08Å; W1078-T1081 PolarHBondContact O-N 2.9Å; W1078-T1081 PolarHBondContact O-OG1 3.5Å; W1078-V1159 HydrophobicContact CH2-CG2 3.75Å; W1078-V1159 HydrophobicContact CZ3-CG2 4.27Å; W1078-F1256 HydrophobicContact CB-CE2 4.41Å; W1078-F1256 HydrophobicContact CD2-CE2 4.17Å; W1078-F1256 AromaticContact CE3-CD2 3.47Å; W1078-F1256 HydrophobicContact CE3-CD2 3.47Å; W1078-F1256 VanDerWaalsContact CE3-CD2 3.47Å; W1078-F1256 AromaticContact CE3-CE2 3.3Å; W1078-F1256 HydrophobicContact CE3-CE2 3.3Å; W1078-F1256 AromaticContact CZ3-CD2 3.48Å; W1078-F1256 HydrophobicContact CZ3-CD2 3.48Å; W1078-F1256 VanDerWaalsContact CZ3-CD2 3.48Å; W1078-F1256 AromaticContact CZ3-CE2 3.85Å; W1078-F1256 HydrophobicContact CZ3-CE2 3.85Å
1079W47.6Very low62.6Low24 Ų2437.2 Ų37.29%0.09119%0.188CC..Hα-helixtrans-57.2-31.4173.9-82.964.3000114.2I181 V186 L1075 V1076 T1081 F1256 I1257 T1260 F1275I181-W1079 HydrophobicContact CD1-CE3 4.39Å; I181-W1079 HydrophobicContact CD1-CH2 3.92Å; I181-W1079 HydrophobicContact CD1-CZ3 3.78Å; I181-W1079 HydrophobicContact CG2-CZ3 3.92Å; V186-W1079 HydrophobicContact CG1-CE3 3.9Å; V186-W1079 HydrophobicContact CG1-CZ3 4.17Å; V186-W1079 HydrophobicContact CG2-CE3 4.26Å; V186-W1079 HydrophobicContact CG2-CZ3 3.82Å; L1075-W1079 PolarHBondContact O-N 3.32Å; V1076-W1079 WeakPolarHBondContact O-CB 3.31Å; V1076-W1079 PolarHBondContact O-N 2.92Å; W1079-T1081 PolarHBondContact O-N 2.91Å; W1079-F1256 HydrophobicContact CB-CE1 4.35Å; W1079-F1256 HydrophobicContact CB-CZ 3.88Å; W1079-F1256 AromaticContact CD1-CE1 3.67Å; W1079-F1256 AromaticContact CD1-CZ 3.22Å; W1079-F1256 AromaticContact CD2-CE1 3.42Å; W1079-F1256 HydrophobicContact CD2-CE1 3.42Å; W1079-F1256 VanDerWaalsContact CD2-CE1 3.42Å; W1079-F1256 AromaticContact CD2-CZ 3.76Å; W1079-F1256 HydrophobicContact CD2-CZ 3.76Å; W1079-F1256 AromaticContact CE2-CE1 3.32Å; W1079-F1256 AromaticContact CE2-CZ 3.78Å; W1079-F1256 HydrophobicContact CE3-CE1 4.02Å; W1079-F1256 AromaticContact CG-CE1 3.6Å; W1079-F1256 HydrophobicContact CG-CE1 3.6Å; W1079-F1256 AromaticContact CG-CZ 3.36Å; W1079-F1256 HydrophobicContact CG-CZ 3.36Å; W1079-F1256 HydrophobicContact CH2-CE1 4.4Å; W1079-F1256 HydrophobicContact CZ2-CD1 4.47Å; W1079-F1256 AromaticContact CZ2-CE1 3.87Å; W1079-F1256 HydrophobicContact CZ2-CE1 3.87Å; W1079-F1256 HydrophobicContact CZ3-CE1 4.45Å; W1079-F1256 AromaticContact NE1-CE1 3.39Å; W1079-F1256 AromaticContact NE1-CZ 3.37Å; W1079-I1257 HydrophobicContact CH2-CG1 4.02Å; W1079-I1257 HydrophobicContact CZ2-CG1 4.26Å; W1079-T1260 HydrophobicContact CZ2-CG2 4.05Å; W1079-T1260 PolarHBondContact NE1-OG1 3.23Å; W1079-F1275 HydrophobicContact CH2-CD1 4.09Å; W1079-F1275 AromaticContact CH2-CE1 3.61Å; W1079-F1275 HydrophobicContact CH2-CE1 3.61Å; W1079-F1275 HydrophobicContact CH2-CZ 4.34Å; W1079-F1275 HydrophobicContact CZ2-CE1 4.49Å; W1079-F1275 HydrophobicContact CZ3-CE1 4.44Å
1080E50.6Low63.3Low51 Ų5136.6 Ų36.624%0.23818%0.183CC..THydrogen-bonded Turntrans-67.9-23.7175.4-55.9-174.8160.900112.9G190 L191 K194 N935 W1078 G1082G190-E1080 WeakPolarHBondContact CA-OE1 3.46Å; L191-E1080 PolarHBondContact N-OE1 3.31Å; K194-E1080 IonicContact NZ-OE1 3.95Å; K194-E1080 PolarHBondContact NZ-OE1 3.29Å; K194-E1080 IonicContact NZ-OE2 3.21Å; K194-E1080 PolarHBondContact NZ-OE2 3.24Å; N935-E1080 PolarHBondContact ND2-OE2 2.86Å; W1078-E1080 PolarHBondContact O-N 3.08Å; E1080-G1082 PolarHBondContact O-N 3.5Å
1081T49.3Very low64.3Low27 Ų2736.2 Ų36.217%0.16618%0.181CC..THydrogen-bonded Turntrans-83.717.5-175.769.10000114.1W1078 W1079 I1083 T1084W1078-T1081 PolarHBondContact O-N 2.9Å; W1078-T1081 PolarHBondContact O-OG1 3.5Å; W1079-T1081 PolarHBondContact O-N 2.91Å; T1081-I1083 PolarHBondContact O-N 3.04Å; T1081-T1084 WeakPolarHBondContact O-CG2 3.21Å; T1081-T1084 PolarHBondContact O-N 3.31Å; T1081-T1084 PolarHBondContact O-OG1 3.2Å
1082G52.2Low65.8Low19 Ų1929.1 Ų29.120%0.19615%0.148CC..THydrogen-bonded Turntrans-49.6-11.7178.200000116.1E1080 T1084E1080-G1082 PolarHBondContact O-N 3.5Å; G1082-T1084 PolarHBondContact O-N 3.01Å
1083I57.9Low67.5Low72 Ų7225.5 Ų25.537%0.36913%0.129SC..Hα-helixtrans-54.1-29.4164-59.2173.4000112.6T1081 N1087T1081-I1083 PolarHBondContact O-N 3.04Å; I1083-N1087 VanDerWaalsContact O-CB 3.25Å; I1083-N1087 WeakPolarHBondContact O-CB 3.29Å; I1083-N1087 PolarHBondContact O-N 2.72Å; I1083-N1087 VanDerWaalsContact O-N 3.09Å
1084T66.3Low69Low7 Ų725.3 Ų25.34%0.04313%0.127CC..Hα-helixtrans-66.8-41-175.954.40000113.5N929 L932 T1081 G1082 N1087 I1088 Y1252N929-T1084 HydrophobicContact CB-CG2 3.98Å; N929-T1084 PolarHBondContact ND2-O 2.76Å; L932-T1084 HydrophobicContact CD1-CG2 3.37Å; T1081-T1084 WeakPolarHBondContact O-CG2 3.21Å; T1081-T1084 PolarHBondContact O-N 3.31Å; T1081-T1084 PolarHBondContact O-OG1 3.2Å; G1082-T1084 PolarHBondContact O-N 3.01Å; T1084-N1087 PolarHBondContact O-N 2.99Å; T1084-I1088 WeakPolarHBondContact O-CG1 3.16Å; T1084-I1088 PolarHBondContact O-N 3.44Å; T1084-Y1252 PolarHBondContact OG1-OH 3.22Å
1085E73.3Confident70.4Confident25 Ų2522.6 Ų22.612%0.11711%0.113CC..Hα-helixtrans-59.6-57.7178.7176.5-170.1160.900110.9N1087 I1088 A1089 S1249 Y1252 F1253E1085-N1087 VanDerWaalsContact C-N 3.26Å; E1085-N1087 PolarHBondContact O-N 3.48Å; E1085-I1088 PolarHBondContact O-N 2.84Å; E1085-A1089 WeakPolarHBondContact O-CB 3.3Å; E1085-A1089 PolarHBondContact O-N 3.23Å; E1085-S1249 VanDerWaalsContact CD-O 3.31Å; E1085-S1249 VanDerWaalsContact OE1-CA 3.27Å; E1085-S1249 WeakPolarHBondContact OE1-CA 3.48Å; E1085-S1249 VanDerWaalsContact OE1-CB 3.31Å; E1085-S1249 WeakPolarHBondContact OE1-CB 3.27Å; E1085-S1249 PolarHBondContact OE1-OG 2.98Å; E1085-Y1252 HydrophobicContact CB-CD1 3.65Å; E1085-Y1252 HydrophobicContact CB-CE1 4.13Å; E1085-Y1252 HydrophobicContact CB-CG 4.33Å; E1085-Y1252 HydrophobicContact CG-CD1 4.06Å; E1085-Y1252 HydrophobicContact CG-CG 4.4Å; E1085-F1253 WeakPolarHBondContact OE2-CB 3.13Å; E1085-F1253 VanDerWaalsContact OE2-CD2 3.28Å; E1085-F1253 WeakPolarHBondContact OE2-CD2 3.43Å
1086F77.8Confident72.3Confident33 Ų3320.1 Ų20.115%0.14510%0.1CC..Hα-helixtrans-60.5-39.8-179.2178.5-94.8000110.5A1089 F1090 L1213 V1214 T1217F1086-A1089 PolarHBondContact O-N 3.37Å; F1086-F1090 HydrophobicContact CD1-CB 4.41Å; F1086-F1090 HydrophobicContact CE1-CB 4.14Å; F1086-F1090 AromaticContact CE1-CD2 3.9Å; F1086-F1090 HydrophobicContact CE1-CD2 3.9Å; F1086-F1090 HydrophobicContact CE1-CG 4.17Å; F1086-F1090 HydrophobicContact CE2-CD2 4.44Å; F1086-F1090 HydrophobicContact CZ-CB 4.34Å; F1086-F1090 AromaticContact CZ-CD2 3.61Å; F1086-F1090 HydrophobicContact CZ-CD2 3.61Å; F1086-F1090 HydrophobicContact CZ-CE2 4.32Å; F1086-F1090 HydrophobicContact CZ-CG 4.28Å; F1086-F1090 WeakPolarHBondContact O-CB 3.47Å; F1086-F1090 PolarHBondContact O-N 3.21Å; F1086-L1213 HydrophobicContact CE2-CD2 4.21Å; F1086-L1213 HydrophobicContact CE2-CG 4.19Å; F1086-V1214 HydrophobicContact CE2-CG2 4.24Å; F1086-V1214 HydrophobicContact CZ-CG2 3.85Å; F1086-T1217 HydrophobicContact CD2-CG2 4.25Å
1087N81Confident74Confident1 Ų118.5 Ų18.51%0.0059%0.09CC..Hα-helixtrans-62.4-46.4-179.8-167.3-66.6000112.7F400 A925 I1083 T1084 E1085 N1091F400-N1087 WeakPolarHBondContact CD1-ND2 3.46Å; A925-N1087 WeakPolarHBondContact CA-OD1 2.93Å; A925-N1087 VanDerWaalsContact CB-OD1 3.31Å; A925-N1087 WeakPolarHBondContact CB-OD1 3.33Å; I1083-N1087 VanDerWaalsContact O-CB 3.25Å; I1083-N1087 WeakPolarHBondContact O-CB 3.29Å; I1083-N1087 PolarHBondContact O-N 2.72Å; I1083-N1087 VanDerWaalsContact O-N 3.09Å; T1084-N1087 PolarHBondContact O-N 2.99Å; E1085-N1087 VanDerWaalsContact C-N 3.26Å; E1085-N1087 PolarHBondContact O-N 3.48Å; N1087-N1091 WeakPolarHBondContact O-CB 3.45Å; N1087-N1091 PolarHBondContact O-N 3.45Å; N1087-N1091 PolarHBondContact O-ND2 3.38Å; N1087-N1091 PolarHBondContact OD1-ND2 3.45Å
1088I86.1Confident75.6Confident6 Ų618.7 Ų18.73%0.0319%0.091CC..Hα-helixtrans-64.5-49.9178.1-67.7168.4000110A925 N929 T1084 E1085 F1090 N1091 L1092 L1160 V1248 Y1252A925-I1088 HydrophobicContact CB-CG1 4.49Å; N929-I1088 WeakPolarHBondContact ND2-CD1 3.37Å; N929-I1088 VanDerWaalsContact ND2-CG1 3.34Å; N929-I1088 WeakPolarHBondContact ND2-CG1 3.35Å; T1084-I1088 WeakPolarHBondContact O-CG1 3.16Å; T1084-I1088 PolarHBondContact O-N 3.44Å; E1085-I1088 PolarHBondContact O-N 2.84Å; I1088-F1090 PolarHBondContact O-N 3.43Å; I1088-N1091 PolarHBondContact O-N 2.76Å; I1088-L1092 WeakPolarHBondContact O-CB 3.32Å; I1088-L1092 PolarHBondContact O-N 3.48Å; I1088-L1160 HydrophobicContact CG2-CD1 4.48Å; I1088-V1248 HydrophobicContact CG2-CG1 4.22Å; I1088-Y1252 HydrophobicContact CD1-CD2 4.21Å; I1088-Y1252 HydrophobicContact CD1-CE2 3.74Å
1089A89.1Confident77.3Confident0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-60.5-45.7-179.700000111.8E1085 F1086 L1092 V1093 L1213 V1248E1085-A1089 WeakPolarHBondContact O-CB 3.3Å; E1085-A1089 PolarHBondContact O-N 3.23Å; F1086-A1089 PolarHBondContact O-N 3.37Å; A1089-L1092 PolarHBondContact O-N 3.44Å; A1089-V1093 WeakPolarHBondContact O-CB 3.38Å; A1089-V1093 VanDerWaalsContact O-CG2 3.29Å; A1089-V1093 WeakPolarHBondContact O-CG2 3.32Å; A1089-V1093 PolarHBondContact O-N 2.91Å; A1089-L1213 HydrophobicContact CB-CD2 4.24Å; A1089-V1248 HydrophobicContact CB-CG1 4.43Å
1090F87.2Confident79.4Confident6 Ų613 Ų133%0.0267%0.069CC..Hα-helixtrans-60.5-52179.1-176.1-87.1000111.8V276 F400 F1086 I1088 V1093 F1094 L1210 L1213 V1214V276-F1090 HydrophobicContact CG1-CE2 3.71Å; V276-F1090 HydrophobicContact CG1-CZ 3.89Å; F400-F1090 HydrophobicContact CE2-CD1 4.25Å; F400-F1090 HydrophobicContact CE2-CE1 4.14Å; F400-F1090 HydrophobicContact CZ-CD1 4.01Å; F400-F1090 HydrophobicContact CZ-CE1 4.11Å; F1086-F1090 HydrophobicContact CD1-CB 4.41Å; F1086-F1090 HydrophobicContact CE1-CB 4.14Å; F1086-F1090 AromaticContact CE1-CD2 3.9Å; F1086-F1090 HydrophobicContact CE1-CD2 3.9Å; F1086-F1090 HydrophobicContact CE1-CG 4.17Å; F1086-F1090 HydrophobicContact CE2-CD2 4.44Å; F1086-F1090 HydrophobicContact CZ-CB 4.34Å; F1086-F1090 AromaticContact CZ-CD2 3.61Å; F1086-F1090 HydrophobicContact CZ-CD2 3.61Å; F1086-F1090 HydrophobicContact CZ-CE2 4.32Å; F1086-F1090 HydrophobicContact CZ-CG 4.28Å; F1086-F1090 WeakPolarHBondContact O-CB 3.47Å; F1086-F1090 PolarHBondContact O-N 3.21Å; I1088-F1090 PolarHBondContact O-N 3.43Å; F1090-V1093 PolarHBondContact O-N 3.02Å; F1090-F1094 WeakPolarHBondContact O-CB 3.46Å; F1090-F1094 PolarHBondContact O-N 2.85Å; F1090-L1210 HydrophobicContact CD2-CD2 3.74Å; F1090-L1210 HydrophobicContact CE2-CB 4.15Å; F1090-L1210 HydrophobicContact CE2-CD1 4.12Å; F1090-L1210 HydrophobicContact CE2-CD2 3.89Å; F1090-L1210 HydrophobicContact CE2-CG 4.28Å; F1090-L1210 HydrophobicContact CG-CD2 4.07Å; F1090-L1210 HydrophobicContact CZ-CD1 3.99Å; F1090-L1210 HydrophobicContact CZ-CD2 4.36Å; F1090-L1210 WeakPolarHBondContact O-CD2 3.1Å; F1090-L1213 HydrophobicContact CB-CD2 4.46Å; F1090-V1214 HydrophobicContact CE2-CG2 4.33Å
1091N88.8Confident81.3Confident2 Ų210.6 Ų10.61%0.0116%0.058CC..Hα-helixtrans-69.7-33.8-178.5-78.3-74.3000112.7W397 F921 A925 N1087 I1088 F1094 G1095W397-N1091 PolarHBondContact NE1-OD1 3.09Å; F921-N1091 HydrophobicContact CB-CB 4.39Å; F921-N1091 WeakPolarHBondContact CB-O 3.46Å; F921-N1091 HydrophobicContact CD1-CB 4.46Å; A925-N1091 HydrophobicContact CB-CB 3.76Å; N1087-N1091 WeakPolarHBondContact O-CB 3.45Å; N1087-N1091 PolarHBondContact O-N 3.45Å; N1087-N1091 PolarHBondContact O-ND2 3.38Å; N1087-N1091 PolarHBondContact OD1-ND2 3.45Å; I1088-N1091 PolarHBondContact O-N 2.76Å; N1091-F1094 WeakPolarHBondContact O-CB 3.33Å; N1091-F1094 PolarHBondContact O-N 2.93Å; N1091-G1095 PolarHBondContact O-N 2.88Å
1092L91Very high83Confident4 Ų49.5 Ų9.52%0.0215%0.052CC..Hα-helixtrans-62.5-51.7174.8-173.274.6000111.2V922 I1088 A1089 F1094 G1095 F1096 I1148 L1244 V1248V922-L1092 HydrophobicContact CG2-CB 4.49Å; V922-L1092 HydrophobicContact CG2-CD1 3.39Å; I1088-L1092 WeakPolarHBondContact O-CB 3.32Å; I1088-L1092 PolarHBondContact O-N 3.48Å; A1089-L1092 PolarHBondContact O-N 3.44Å; L1092-F1094 VanDerWaalsContact C-N 3.25Å; L1092-F1094 PolarHBondContact O-N 3.34Å; L1092-G1095 PolarHBondContact O-N 3.06Å; L1092-F1096 HydrophobicContact CD1-CD2 3.96Å; L1092-F1096 HydrophobicContact CD1-CE2 3.63Å; L1092-F1096 HydrophobicContact CG-CD2 3.93Å; L1092-F1096 HydrophobicContact CG-CE2 4Å; L1092-F1096 WeakPolarHBondContact O-CD2 3.47Å; L1092-F1096 PolarHBondContact O-N 3.2Å; L1092-I1148 HydrophobicContact CD1-CD1 4.09Å; L1092-I1148 HydrophobicContact CD1-CG2 4.16Å; L1092-L1244 HydrophobicContact CD2-CD1 4.2Å; L1092-L1244 HydrophobicContact CD2-CG 4.35Å; L1092-V1248 HydrophobicContact CD2-CB 4.43Å; L1092-V1248 HydrophobicContact CD2-CG1 4.39Å; L1092-V1248 HydrophobicContact CD2-CG2 3.68Å
1093V92.1Very high84.9Confident0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-59.8-39.7176.8170.80000110.9A1089 F1090 S1097 L1210 L1244A1089-V1093 WeakPolarHBondContact O-CB 3.38Å; A1089-V1093 VanDerWaalsContact O-CG2 3.29Å; A1089-V1093 WeakPolarHBondContact O-CG2 3.32Å; A1089-V1093 PolarHBondContact O-N 2.91Å; F1090-V1093 PolarHBondContact O-N 3.02Å; V1093-S1097 WeakPolarHBondContact O-CB 3.18Å; V1093-S1097 PolarHBondContact O-N 3.46Å; V1093-S1097 PolarHBondContact O-OG 2.98Å; V1093-L1210 HydrophobicContact CB-CD2 3.87Å; V1093-L1210 HydrophobicContact CG1-CD2 3.67Å; V1093-L1210 HydrophobicContact CG1-CG 4.17Å; V1093-L1244 HydrophobicContact CG2-CD2 4.48Å; V1093-L1244 HydrophobicContact CG2-CG 4.47Å
1094F87.7Confident86.4Confident4 Ų45.3 Ų5.32%0.0183%0.025CC..Hα-helixtrans-57.9-55.3175.8-166.9-72.6000111.2L390 C393 F921 F1090 N1091 L1092 F1096 S1097 F1098 L1206 L1210L390-F1094 HydrophobicContact CD2-CE1 4.09Å; C393-F1094 HydrophobicContact CB-CD2 4.39Å; C393-F1094 HydrophobicContact CB-CE1 4.02Å; C393-F1094 HydrophobicContact CB-CE2 3.25Å; C393-F1094 HydrophobicContact CB-CZ 3.04Å; C393-F1094 WeakPolarHBondContact SG-CE2 3.25Å; C393-F1094 WeakPolarHBondContact SG-CZ 3.15Å; F921-F1094 HydrophobicContact CD1-CB 4.05Å; F921-F1094 AromaticContact CD1-CD1 3.49Å; F921-F1094 HydrophobicContact CD1-CD1 3.49Å; F921-F1094 VanDerWaalsContact CD1-CD1 3.49Å; F921-F1094 HydrophobicContact CD1-CE1 4.28Å; F921-F1094 AromaticContact CD1-CG 3.94Å; F921-F1094 HydrophobicContact CD1-CG 3.94Å; F921-F1094 HydrophobicContact CD2-CD1 4.33Å; F921-F1094 HydrophobicContact CE1-CB 4.26Å; F921-F1094 AromaticContact CE1-CD1 2.99Å; F921-F1094 HydrophobicContact CE1-CD1 2.99Å; F921-F1094 HydrophobicContact CE1-CD2 4.4Å; F921-F1094 AromaticContact CE1-CE1 3.36Å; F921-F1094 HydrophobicContact CE1-CE1 3.36Å; F921-F1094 AromaticContact CE1-CG 3.64Å; F921-F1094 HydrophobicContact CE1-CG 3.64Å; F921-F1094 HydrophobicContact CE1-CZ 4.28Å; F921-F1094 AromaticContact CE2-CD1 3.92Å; F921-F1094 HydrophobicContact CE2-CD1 3.92Å; F921-F1094 AromaticContact CE2-CE1 3.99Å; F921-F1094 HydrophobicContact CE2-CE1 3.99Å; F921-F1094 HydrophobicContact CG-CD1 4.16Å; F921-F1094 AromaticContact CZ-CD1 3.25Å; F921-F1094 HydrophobicContact CZ-CD1 3.25Å; F921-F1094 AromaticContact CZ-CE1 3.18Å; F921-F1094 HydrophobicContact CZ-CE1 3.18Å; F921-F1094 HydrophobicContact CZ-CG 4.3Å; F921-F1094 HydrophobicContact CZ-CZ 4.23Å; F1090-F1094 WeakPolarHBondContact O-CB 3.46Å; F1090-F1094 PolarHBondContact O-N 2.85Å; N1091-F1094 WeakPolarHBondContact O-CB 3.33Å; N1091-F1094 PolarHBondContact O-N 2.93Å; L1092-F1094 VanDerWaalsContact C-N 3.25Å; L1092-F1094 PolarHBondContact O-N 3.34Å; F1094-F1096 PolarHBondContact O-N 3.12Å; F1094-S1097 WeakPolarHBondContact O-CB 3.36Å; F1094-S1097 PolarHBondContact O-N 3.31Å; F1094-F1098 HydrophobicContact CD1-CD2 4.21Å; F1094-F1098 AromaticContact CD1-CE2 3.89Å; F1094-F1098 HydrophobicContact CD1-CE2 3.89Å; F1094-F1098 AromaticContact CE1-CD2 3.87Å; F1094-F1098 HydrophobicContact CE1-CD2 3.87Å; F1094-F1098 AromaticContact CE1-CE2 3.23Å; F1094-F1098 HydrophobicContact CE1-CE2 3.23Å; F1094-F1098 HydrophobicContact CE1-CZ 4.1Å; F1094-F1098 HydrophobicContact CE2-CE2 4.38Å; F1094-F1098 HydrophobicContact CZ-CD2 4.48Å; F1094-F1098 AromaticContact CZ-CE2 3.45Å; F1094-F1098 HydrophobicContact CZ-CE2 3.45Å; F1094-F1098 VanDerWaalsContact CZ-CE2 3.45Å; F1094-F1098 HydrophobicContact CZ-CZ 4Å; F1094-F1098 WeakPolarHBondContact O-CD2 3.45Å; F1094-L1206 HydrophobicContact CD2-CD1 3.58Å; F1094-L1206 HydrophobicContact CE2-CD1 3.43Å; F1094-L1206 VanDerWaalsContact CE2-CD1 3.43Å; F1094-L1206 HydrophobicContact CG-CD1 4.23Å; F1094-L1206 HydrophobicContact CZ-CD1 4.04Å; F1094-L1210 HydrophobicContact CB-CD1 4.36Å; F1094-L1210 HydrophobicContact CD2-CD1 3.54Å; F1094-L1210 HydrophobicContact CE2-CD1 4.24Å; F1094-L1210 HydrophobicContact CG-CD1 4.39Å
1095G89.3Confident87.2Confident0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-56.9-48.3179.900000112.6N1091 L1092 S1097 F1098 M1099N1091-G1095 PolarHBondContact O-N 2.88Å; L1092-G1095 PolarHBondContact O-N 3.06Å; G1095-S1097 VanDerWaalsContact C-N 3.32Å; G1095-S1097 PolarHBondContact O-N 3.27Å; G1095-F1098 PolarHBondContact O-N 3.15Å; G1095-M1099 PolarHBondContact O-N 3.3Å
1096F92.4Very high87.8Confident0 Ų06 Ų60%03%0.031CC..Hα-helixtrans-65.3-30.8179.3-86.5-70.8000113.8L1092 F1094 F1098 M1099 V1100 Y1141 I1148 L1173 Y1176 L1244L1092-F1096 HydrophobicContact CD1-CD2 3.96Å; L1092-F1096 HydrophobicContact CD1-CE2 3.63Å; L1092-F1096 HydrophobicContact CG-CD2 3.93Å; L1092-F1096 HydrophobicContact CG-CE2 4Å; L1092-F1096 WeakPolarHBondContact O-CD2 3.47Å; L1092-F1096 PolarHBondContact O-N 3.2Å; F1094-F1096 PolarHBondContact O-N 3.12Å; F1096-F1098 VanDerWaalsContact C-N 3.26Å; F1096-F1098 PolarHBondContact O-N 3.11Å; F1096-M1099 HydrophobicContact CD1-SD 3.6Å; F1096-M1099 VanDerWaalsContact CD1-SD 3.6Å; F1096-M1099 HydrophobicContact CE1-CE 4.4Å; F1096-M1099 HydrophobicContact CE1-SD 3.57Å; F1096-M1099 VanDerWaalsContact CE1-SD 3.57Å; F1096-M1099 PolarHBondContact O-N 2.81Å; F1096-V1100 WeakPolarHBondContact O-CB 3.08Å; F1096-V1100 WeakPolarHBondContact O-CG2 3.3Å; F1096-V1100 PolarHBondContact O-N 3.39Å; F1096-Y1141 AromaticContact CD1-CE2 3.95Å; F1096-Y1141 HydrophobicContact CD1-CE2 3.95Å; F1096-Y1141 HydrophobicContact CE1-CD2 4.35Å; F1096-Y1141 AromaticContact CE1-CE2 3.43Å; F1096-Y1141 HydrophobicContact CE1-CE2 3.43Å; F1096-Y1141 VanDerWaalsContact CE1-CE2 3.43Å; F1096-Y1141 AromaticContact CE1-CZ 3.88Å; F1096-Y1141 HydrophobicContact CZ-CE2 4.41Å; F1096-I1148 HydrophobicContact CD2-CD1 4.46Å; F1096-I1148 HydrophobicContact CE1-CD1 4.44Å; F1096-I1148 HydrophobicContact CE2-CD1 3.43Å; F1096-I1148 VanDerWaalsContact CE2-CD1 3.43Å; F1096-I1148 HydrophobicContact CZ-CD1 3.41Å; F1096-I1148 VanDerWaalsContact CZ-CD1 3.41Å; F1096-L1173 HydrophobicContact CE2-CD2 3.83Å; F1096-L1173 HydrophobicContact CZ-CD2 3.79Å; F1096-Y1176 HydrophobicContact CB-CE1 3.92Å; F1096-Y1176 HydrophobicContact CD1-CD1 4.35Å; F1096-Y1176 AromaticContact CD1-CE1 3.78Å; F1096-Y1176 HydrophobicContact CD1-CE1 3.78Å; F1096-Y1176 HydrophobicContact CE1-CE1 4.48Å; F1096-Y1176 AromaticContact CG-CE1 3.89Å; F1096-Y1176 HydrophobicContact CG-CE1 3.89Å; F1096-L1244 HydrophobicContact CB-CD2 4.2Å; F1096-L1244 HydrophobicContact CD2-CD2 3.75Å; F1096-L1244 HydrophobicContact CE2-CD2 4.38Å; F1096-L1244 HydrophobicContact CG-CD2 4.1Å
1097S89.6Confident88.4Confident0 Ų04.8 Ų4.80%03%0.025CC..Hα-helixtrans-57.3-38.3179.6-66.90000112.7V1093 F1094 G1095 S1101 N1205V1093-S1097 WeakPolarHBondContact O-CB 3.18Å; V1093-S1097 PolarHBondContact O-N 3.46Å; V1093-S1097 PolarHBondContact O-OG 2.98Å; F1094-S1097 WeakPolarHBondContact O-CB 3.36Å; F1094-S1097 PolarHBondContact O-N 3.31Å; G1095-S1097 VanDerWaalsContact C-N 3.32Å; G1095-S1097 PolarHBondContact O-N 3.27Å; S1097-S1101 WeakPolarHBondContact O-CB 3.27Å; S1097-S1101 PolarHBondContact O-N 2.94Å; S1097-S1101 PolarHBondContact O-OG 3.5Å; S1097-N1205 PolarHBondContact OG-O 2.87Å
1098F85.8Confident88.6Confident12 Ų124.8 Ų4.85%0.0533%0.025CC..Hα-helixtrans-79.8-41.8176.8-68.2-87.7000112.3L390 F1094 G1095 F1096 S1101 S1102 L1206L390-F1098 HydrophobicContact CD1-CD1 4.14Å; L390-F1098 HydrophobicContact CD1-CG 4.4Å; L390-F1098 HydrophobicContact CD2-CB 4.15Å; L390-F1098 HydrophobicContact CD2-CD1 3.67Å; L390-F1098 HydrophobicContact CD2-CD2 3.32Å; L390-F1098 HydrophobicContact CD2-CE1 3.81Å; L390-F1098 HydrophobicContact CD2-CE2 3.52Å; L390-F1098 HydrophobicContact CD2-CG 3.41Å; L390-F1098 VanDerWaalsContact CD2-CG 3.41Å; L390-F1098 HydrophobicContact CD2-CZ 3.73Å; L390-F1098 HydrophobicContact CG-CD1 3.63Å; L390-F1098 HydrophobicContact CG-CD2 4.21Å; L390-F1098 HydrophobicContact CG-CE1 3.62Å; L390-F1098 HydrophobicContact CG-CE2 4.24Å; L390-F1098 HydrophobicContact CG-CG 3.92Å; L390-F1098 HydrophobicContact CG-CZ 3.93Å; F1094-F1098 HydrophobicContact CD1-CD2 4.21Å; F1094-F1098 AromaticContact CD1-CE2 3.89Å; F1094-F1098 HydrophobicContact CD1-CE2 3.89Å; F1094-F1098 AromaticContact CE1-CD2 3.87Å; F1094-F1098 HydrophobicContact CE1-CD2 3.87Å; F1094-F1098 AromaticContact CE1-CE2 3.23Å; F1094-F1098 HydrophobicContact CE1-CE2 3.23Å; F1094-F1098 HydrophobicContact CE1-CZ 4.1Å; F1094-F1098 HydrophobicContact CE2-CE2 4.38Å; F1094-F1098 HydrophobicContact CZ-CD2 4.48Å; F1094-F1098 AromaticContact CZ-CE2 3.45Å; F1094-F1098 HydrophobicContact CZ-CE2 3.45Å; F1094-F1098 VanDerWaalsContact CZ-CE2 3.45Å; F1094-F1098 HydrophobicContact CZ-CZ 4Å; F1094-F1098 WeakPolarHBondContact O-CD2 3.45Å; G1095-F1098 PolarHBondContact O-N 3.15Å; F1096-F1098 VanDerWaalsContact C-N 3.26Å; F1096-F1098 PolarHBondContact O-N 3.11Å; F1098-S1101 PolarHBondContact O-N 3.4Å; F1098-S1102 PolarHBondContact O-N 3Å; F1098-L1206 HydrophobicContact CE2-CD1 4.29Å
1099M88.2Confident88.4Confident4 Ų47.8 Ų7.82%0.024%0.036CC..Hα-helixtrans-58.8-52.5177.7176.9-165.3172.400111.4Q914 P918 G1095 F1096 S1101 S1102 F1103 Y1141 T1144Q914-M1099 HydrophobicContact CB-CG 4.49Å; Q914-M1099 WeakPolarHBondContact O-CG 3.27Å; P918-M1099 HydrophobicContact CG-CB 3.6Å; P918-M1099 HydrophobicContact CG-CG 4.11Å; P918-M1099 HydrophobicContact CG-SD 3.77Å; G1095-M1099 PolarHBondContact O-N 3.3Å; F1096-M1099 HydrophobicContact CD1-SD 3.6Å; F1096-M1099 VanDerWaalsContact CD1-SD 3.6Å; F1096-M1099 HydrophobicContact CE1-CE 4.4Å; F1096-M1099 HydrophobicContact CE1-SD 3.57Å; F1096-M1099 VanDerWaalsContact CE1-SD 3.57Å; F1096-M1099 PolarHBondContact O-N 2.81Å; M1099-S1101 VanDerWaalsContact C-N 3.31Å; M1099-S1101 PolarHBondContact O-N 3.34Å; M1099-S1102 WeakPolarHBondContact O-CB 3.43Å; M1099-S1102 PolarHBondContact O-N 3.41Å; M1099-S1102 VanDerWaalsContact O-N 3.13Å; M1099-S1102 PolarHBondContact O-OG 3.19Å; M1099-F1103 HydrophobicContact CE-CE2 4.39Å; M1099-F1103 HydrophobicContact CE-CZ 4.09Å; M1099-Y1141 VanDerWaalsContact CE-CA 3.44Å; M1099-Y1141 HydrophobicContact CE-CD2 3.36Å; M1099-Y1141 HydrophobicContact CE-CE2 4.06Å; M1099-Y1141 HydrophobicContact CE-CG 3.96Å; M1099-Y1141 HydrophobicContact SD-CD2 4.29Å; M1099-T1144 VanDerWaalsContact CE-CB 3.46Å; M1099-T1144 HydrophobicContact CE-CG2 4.05Å; M1099-T1144 VanDerWaalsContact CE-OG1 3.25Å; M1099-T1144 WeakPolarHBondContact CE-OG1 3.02Å; M1099-T1144 HydrophobicContact SD-CG2 3.65Å
1100V92.5Very high88.2Confident0 Ų07.9 Ų7.90%04%0.036CC..Hα-helixtrans-58.8-45.4-179.3166.50000110.6F1096 S1102 F1103 Y1176 T1180 M1184F1096-V1100 WeakPolarHBondContact O-CB 3.08Å; F1096-V1100 WeakPolarHBondContact O-CG2 3.3Å; F1096-V1100 PolarHBondContact O-N 3.39Å; V1100-S1102 PolarHBondContact O-N 2.97Å; V1100-S1102 VanDerWaalsContact O-N 3.08Å; V1100-F1103 WeakPolarHBondContact O-CD2 3.41Å; V1100-F1103 PolarHBondContact O-N 3.07Å; V1100-F1103 VanDerWaalsContact O-N 3.16Å; V1100-Y1176 HydrophobicContact CG2-CE1 3.77Å; V1100-T1180 HydrophobicContact CG1-CG2 4.28Å; V1100-T1180 HydrophobicContact CG2-CG2 4.45Å; V1100-M1184 HydrophobicContact CG1-CE 3.91Å; V1100-M1184 HydrophobicContact CG1-CG 3.57Å; V1100-M1184 HydrophobicContact CG1-SD 3.95Å; V1100-M1184 WeakPolarHBondContact O-CG 3.5Å
1101S89.2Confident88Confident0 Ų011.9 Ų11.90%05%0.051CC..Hα-helixtrans-59.1-27-179.1-58.40000113.5S1097 F1098 M1099 F1103 L1104 Y1198 M1201 S1202 N1205S1097-S1101 WeakPolarHBondContact O-CB 3.27Å; S1097-S1101 PolarHBondContact O-N 2.94Å; S1097-S1101 PolarHBondContact O-OG 3.5Å; F1098-S1101 PolarHBondContact O-N 3.4Å; M1099-S1101 VanDerWaalsContact C-N 3.31Å; M1099-S1101 PolarHBondContact O-N 3.34Å; S1101-F1103 VanDerWaalsContact C-N 3.33Å; S1101-F1103 PolarHBondContact O-N 2.9Å; S1101-L1104 WeakPolarHBondContact O-CB 3.49Å; S1101-L1104 PolarHBondContact O-N 3.25Å; S1101-Y1198 WeakPolarHBondContact O-CD2 3.38Å; S1101-M1201 VanDerWaalsContact OG-C 3.28Å; S1101-M1201 PolarHBondContact OG-O 2.8Å; S1101-S1202 WeakPolarHBondContact CB-OG 3.37Å; S1101-S1202 WeakPolarHBondContact OG-CA 3.37Å; S1101-S1202 PolarHBondContact OG-N 3.18Å; S1101-S1202 VanDerWaalsContact OG-N 3.12Å; S1101-S1202 PolarHBondContact OG-OG 3.02Å; S1101-N1205 PolarHBondContact OG-ND2 3.42Å
1102S85.9Confident87.3Confident5 Ų517.6 Ų17.64%0.0358%0.078CC..Hα-helixtrans-68.5-27-17977.20000113.9Q914 F1098 M1099 V1100 L1104 V1105Q914-S1102 WeakPolarHBondContact CG-OG 3.36Å; Q914-S1102 PolarHBondContact NE2-OG 2.8Å; F1098-S1102 PolarHBondContact O-N 3Å; M1099-S1102 WeakPolarHBondContact O-CB 3.43Å; M1099-S1102 PolarHBondContact O-N 3.41Å; M1099-S1102 VanDerWaalsContact O-N 3.13Å; M1099-S1102 PolarHBondContact O-OG 3.19Å; V1100-S1102 PolarHBondContact O-N 2.97Å; V1100-S1102 VanDerWaalsContact O-N 3.08Å; S1102-L1104 PolarHBondContact O-N 3.3Å; S1102-V1105 WeakPolarHBondContact O-CB 3.34Å; S1102-V1105 WeakPolarHBondContact O-CG2 3.4Å; S1102-V1105 PolarHBondContact O-N 3.18Å
1103F91Very high86.5Confident2 Ų218.8 Ų18.81%0.0099%0.087CC..Hα-helixtrans-63.4-26.9179.1-64.2-57.3000112.5M1099 V1100 S1101 V1105 D1137 A1140 Y1141 I1181M1099-F1103 HydrophobicContact CE-CE2 4.39Å; M1099-F1103 HydrophobicContact CE-CZ 4.09Å; V1100-F1103 WeakPolarHBondContact O-CD2 3.41Å; V1100-F1103 PolarHBondContact O-N 3.07Å; V1100-F1103 VanDerWaalsContact O-N 3.16Å; S1101-F1103 VanDerWaalsContact C-N 3.33Å; S1101-F1103 PolarHBondContact O-N 2.9Å; F1103-V1105 VanDerWaalsContact C-N 3.3Å; F1103-V1105 PolarHBondContact O-N 3.28Å; F1103-D1137 HydrophobicContact CD1-CB 3.71Å; F1103-D1137 HydrophobicContact CE1-CB 3.95Å; F1103-D1137 HydrophobicContact CG-CB 4.38Å; F1103-A1140 HydrophobicContact CE1-CB 4.45Å; F1103-Y1141 HydrophobicContact CE2-CD2 4.33Å; F1103-I1181 HydrophobicContact CD2-CG1 4.01Å; F1103-I1181 HydrophobicContact CE2-CG1 4.15Å
1104L89.6Confident85.8Confident0 Ų019.3 Ų19.30%09%0.092CC..Hα-helixtrans-63.7-33.4174.4-178.5153.2000112.8S1101 S1102 F1106 I1107 V1108 M1184 A1187 A1188 F1191 M1201S1101-L1104 WeakPolarHBondContact O-CB 3.49Å; S1101-L1104 PolarHBondContact O-N 3.25Å; S1102-L1104 PolarHBondContact O-N 3.3Å; L1104-F1106 VanDerWaalsContact C-N 3.32Å; L1104-F1106 PolarHBondContact O-N 3.3Å; L1104-I1107 PolarHBondContact O-N 2.96Å; L1104-V1108 HydrophobicContact CD2-CB 4.29Å; L1104-V1108 HydrophobicContact CD2-CG2 3.47Å; L1104-V1108 VanDerWaalsContact CD2-CG2 3.47Å; L1104-V1108 HydrophobicContact CG-CG2 3.96Å; L1104-V1108 PolarHBondContact O-N 3.3Å; L1104-V1108 VanDerWaalsContact O-N 3.08Å; L1104-M1184 HydrophobicContact CB-CB 4.38Å; L1104-A1187 HydrophobicContact CD1-CB 4.14Å; L1104-A1188 HydrophobicContact CD1-CB 4.4Å; L1104-A1188 HydrophobicContact CG-CB 4.02Å; L1104-F1191 HydrophobicContact CD1-CD2 3.94Å; L1104-F1191 HydrophobicContact CD1-CE2 4.13Å; L1104-M1201 HydrophobicContact CD1-CB 4.42Å; L1104-M1201 HydrophobicContact CD1-CG 3.6Å
1105V84.5Confident85.5Confident35 Ų3519.1 Ų19.121%0.2129%0.091CC..Hα-helixtrans-58.4-44.9-169.4174.60000111.5S1102 F1103 R1109 A1194 Y1198S1102-V1105 WeakPolarHBondContact O-CB 3.34Å; S1102-V1105 WeakPolarHBondContact O-CG2 3.4Å; S1102-V1105 PolarHBondContact O-N 3.18Å; F1103-V1105 VanDerWaalsContact C-N 3.3Å; F1103-V1105 PolarHBondContact O-N 3.28Å; V1105-R1109 VanDerWaalsContact O-CB 3.31Å; V1105-R1109 WeakPolarHBondContact O-CB 3.4Å; V1105-R1109 PolarHBondContact O-N 3.35Å; V1105-A1194 HydrophobicContact CG1-CB 4.29Å; V1105-A1194 WeakPolarHBondContact O-CB 3.33Å; V1105-Y1198 HydrophobicContact CG2-CD2 3.82Å; V1105-Y1198 HydrophobicContact CG2-CG 4.03Å
1106F86.1Confident85.4Confident13 Ų1320.2 Ų20.26%0.05710%0.095CC..Hα-helixtrans-66.3-47.8-177.4-178.9-99.9000111.8K899 R900 D903 L1104 V1108 R1109 E1110K899-F1106 HydrophobicContact CD-CZ 4.48Å; R900-F1106 VanDerWaalsContact CZ-CD1 3.49Å; R900-F1106 VanDerWaalsContact NH1-CD1 3.26Å; D903-F1106 HydrophobicContact CB-CE2 4.13Å; D903-F1106 VanDerWaalsContact OD2-CD2 3.23Å; D903-F1106 WeakPolarHBondContact OD2-CD2 3.36Å; D903-F1106 WeakPolarHBondContact OD2-CE2 3.44Å; L1104-F1106 VanDerWaalsContact C-N 3.32Å; L1104-F1106 PolarHBondContact O-N 3.3Å; F1106-V1108 VanDerWaalsContact C-N 3.35Å; F1106-V1108 PolarHBondContact O-N 2.89Å; F1106-R1109 PolarHBondContact O-N 3.16Å; F1106-E1110 WeakPolarHBondContact CE1-OE2 3.08Å; F1106-E1110 WeakPolarHBondContact O-CB 3.46Å; F1106-E1110 PolarHBondContact O-N 3.18Å
1107I89.7Confident84.8Confident7 Ų722.9 Ų22.94%0.03611%0.108CC..Hα-helixtrans-61.5-43.3-178.2-60.6-60.5000111.2L1104 E1110 R1111 W1130 N1133 Y1185 A1188L1104-I1107 PolarHBondContact O-N 2.96Å; I1107-E1110 PolarHBondContact O-N 3.12Å; I1107-R1111 PolarHBondContact O-N 3.07Å; I1107-R1111 VanDerWaalsContact O-N 3.08Å; I1107-W1130 HydrophobicContact CD1-CZ3 4.1Å; I1107-W1130 HydrophobicContact CG2-CH2 4.15Å; I1107-W1130 HydrophobicContact CG2-CZ3 4.33Å; I1107-N1133 HydrophobicContact CD1-CB 4.41Å; I1107-Y1185 HydrophobicContact CD1-CE1 4.28Å; I1107-Y1185 HydrophobicContact CG1-CD1 3.82Å; I1107-Y1185 HydrophobicContact CG1-CE1 3.81Å; I1107-A1188 HydrophobicContact CB-CB 4.34Å; I1107-A1188 HydrophobicContact CG2-CB 3.91Å
1108V85.2Confident84.6Confident0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-69.7-39.2177.9179.60000111.5L1104 F1106 E1110 R1111 Q1112 A1188 F1191 S1193 A1194L1104-V1108 HydrophobicContact CD2-CB 4.29Å; L1104-V1108 HydrophobicContact CD2-CG2 3.47Å; L1104-V1108 VanDerWaalsContact CD2-CG2 3.47Å; L1104-V1108 HydrophobicContact CG-CG2 3.96Å; L1104-V1108 PolarHBondContact O-N 3.3Å; L1104-V1108 VanDerWaalsContact O-N 3.08Å; F1106-V1108 VanDerWaalsContact C-N 3.35Å; F1106-V1108 PolarHBondContact O-N 2.89Å; V1108-E1110 VanDerWaalsContact C-N 3.31Å; V1108-E1110 PolarHBondContact O-N 3.26Å; V1108-R1111 PolarHBondContact O-N 2.78Å; V1108-Q1112 VanDerWaalsContact O-CB 3.28Å; V1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; V1108-Q1112 PolarHBondContact O-N 2.8Å; V1108-A1188 HydrophobicContact CG2-CB 3.69Å; V1108-F1191 VanDerWaalsContact CG1-O 3.22Å; V1108-F1191 WeakPolarHBondContact CG1-O 3.38Å; V1108-S1193 VanDerWaalsContact CG1-C 3.46Å; V1108-A1194 HydrophobicContact CB-CB 3.86Å; V1108-A1194 HydrophobicContact CG1-CB 3.9Å
1109R81.3Confident84.7Confident69 Ų6922.8 Ų22.826%0.2611%0.108SC..Hα-helixtrans-61.5-42.9176.7-172.3-179.7-172.7-1775.6111.1V1105 F1106 R1111 Q1112 C1113 A1194 D1465 N1466V1105-R1109 VanDerWaalsContact O-CB 3.31Å; V1105-R1109 WeakPolarHBondContact O-CB 3.4Å; V1105-R1109 PolarHBondContact O-N 3.35Å; F1106-R1109 PolarHBondContact O-N 3.16Å; R1109-R1111 VanDerWaalsContact C-N 3.29Å; R1109-R1111 PolarHBondContact O-N 3.48Å; R1109-Q1112 PolarHBondContact O-N 2.59Å; R1109-C1113 PolarHBondContact O-N 3.45Å; R1109-C1113 PolarHBondContact O-SG 2.98Å; R1109-A1194 HydrophobicContact CB-CB 4.33Å; R1109-D1465 IonicContact CZ-OD2 3.72Å; R1109-D1465 IonicContact NE-OD2 3.68Å; R1109-D1465 IonicContact NH2-OD2 3.71Å; R1109-D1465 PolarHBondContact NH2-OD2 3.44Å; R1109-N1466 PolarHBondContact NH1-ND2 2.89Å
1110E85.5Confident84.6Confident2 Ų224.5 Ų24.51%0.00912%0.115CC..Hα-helixtrans-64.5-33.5178.1-172.2165.6-136.500112.7K899 F1106 I1107 V1108 C1113 G1114 A1115 K1116 Q1119 F1464K899-E1110 IonicContact NZ-OE1 3.59Å; K899-E1110 PolarHBondContact NZ-OE1 3.45Å; K899-E1110 IonicContact NZ-OE2 2.85Å; F1106-E1110 WeakPolarHBondContact CE1-OE2 3.08Å; F1106-E1110 WeakPolarHBondContact O-CB 3.46Å; F1106-E1110 PolarHBondContact O-N 3.18Å; I1107-E1110 PolarHBondContact O-N 3.12Å; V1108-E1110 VanDerWaalsContact C-N 3.31Å; V1108-E1110 PolarHBondContact O-N 3.26Å; E1110-C1113 PolarHBondContact O-SG 2.95Å; E1110-G1114 PolarHBondContact O-N 2.77Å; E1110-A1115 HydrophobicContact CG-CB 4.36Å; E1110-A1115 PolarHBondContact O-N 3.2Å; E1110-A1115 VanDerWaalsContact O-N 3.12Å; E1110-K1116 HydrophobicContact CG-CB 3.98Å; E1110-K1116 PolarHBondContact O-N 3.42Å; E1110-Q1119 PolarHBondContact OE1-NE2 2.63Å; E1110-Q1119 PolarHBondContact OE1-OE1 3.39Å; E1110-F1464 HydrophobicContact CG-CE1 4.02Å; E1110-F1464 HydrophobicContact CG-CZ 4.15Å; E1110-F1464 VanDerWaalsContact OE1-CZ 3.28Å; E1110-F1464 WeakPolarHBondContact OE1-CZ 3.41Å
1111R83.9Confident84.1Confident90 Ų9024.8 Ų24.834%0.3412%0.117SC..Hα-helixtrans-73.7-40.9170.7-174.5174.565.4168.4-0.1112.4I1107 V1108 R1109 G1114 A1188 V1189 F1191I1107-R1111 PolarHBondContact O-N 3.07Å; I1107-R1111 VanDerWaalsContact O-N 3.08Å; V1108-R1111 PolarHBondContact O-N 2.78Å; R1109-R1111 VanDerWaalsContact C-N 3.29Å; R1109-R1111 PolarHBondContact O-N 3.48Å; R1111-G1114 PolarHBondContact O-N 3.06Å; R1111-A1188 PolarHBondContact NH2-O 2.99Å; R1111-V1189 PolarHBondContact NH1-O 3.37Å; R1111-V1189 PolarHBondContact NH2-O 3.2Å; R1111-V1189 VanDerWaalsContact NH2-O 3.14Å; R1111-F1191 VanDerWaalsContact NH2-C 3.25Å; R1111-F1191 PolarHBondContact NH2-O 3.07Å
1112Q73.7Confident83.9Confident123 Ų12325 Ų2558%0.57512%0.118SC*.Hα-helixtrans-66.2-38.9-176.9-175.1-178.8-6.900112.1V1108 R1109 G1114V1108-Q1112 VanDerWaalsContact O-CB 3.28Å; V1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; V1108-Q1112 PolarHBondContact O-N 2.8Å; R1109-Q1112 PolarHBondContact O-N 2.59Å; Q1112-G1114 PolarHBondContact O-N 3.2Å
1113C73.9Confident83.7Confident29 Ų2926.4 Ų26.420%0.19613%0.125CC..THydrogen-bonded Turntrans-79.2-4.917265.30000113R1109 E1110 A1115 F1460 A1462R1109-C1113 PolarHBondContact O-N 3.45Å; R1109-C1113 PolarHBondContact O-SG 2.98Å; E1110-C1113 PolarHBondContact O-SG 2.95Å; C1113-A1115 PolarHBondContact O-N 3.18Å; C1113-A1115 WeakPolarHBondContact SG-CB 3.43Å; C1113-F1460 VanDerWaalsContact O-CE2 3.25Å; C1113-F1460 WeakPolarHBondContact O-CE2 3.4Å; C1113-A1462 WeakPolarHBondContact O-CA 3.14Å; C1113-A1462 WeakPolarHBondContact O-CB 3.24Å
1114G76.5Confident83.5Confident10 Ų1026.6 Ų26.610%0.10313%0.126CC..THydrogen-bonded Turntrans67.89.2-17600000114.8E1110 R1111 Q1112 K1116 H1117 L1118E1110-G1114 PolarHBondContact O-N 2.77Å; R1111-G1114 PolarHBondContact O-N 3.06Å; Q1112-G1114 PolarHBondContact O-N 3.2Å; G1114-K1116 VanDerWaalsContact C-N 3.3Å; G1114-K1116 PolarHBondContact O-N 2.93Å; G1114-H1117 WeakPolarHBondContact O-CB 3.42Å; G1114-H1117 PolarHBondContact O-N 3.41Å; G1114-H1117 VanDerWaalsContact O-N 3.13Å; G1114-L1118 PolarHBondContact O-N 3.23Å; G1114-L1118 VanDerWaalsContact O-N 3.11Å
1115A82.6Confident83.2Confident0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-67-30.5177.200000112.5E1110 C1113 H1117 L1118 Q1119 F1464E1110-A1115 HydrophobicContact CG-CB 4.36Å; E1110-A1115 PolarHBondContact O-N 3.2Å; E1110-A1115 VanDerWaalsContact O-N 3.12Å; C1113-A1115 PolarHBondContact O-N 3.18Å; C1113-A1115 WeakPolarHBondContact SG-CB 3.43Å; A1115-H1117 PolarHBondContact O-N 3.27Å; A1115-L1118 PolarHBondContact O-N 3Å; A1115-Q1119 VanDerWaalsContact O-CG 3.31Å; A1115-Q1119 WeakPolarHBondContact O-CG 3.33Å; A1115-Q1119 PolarHBondContact O-N 3Å; A1115-F1464 HydrophobicContact CB-CD2 4.45Å; A1115-F1464 HydrophobicContact CB-CE1 3.88Å; A1115-F1464 HydrophobicContact CB-CE2 3.67Å; A1115-F1464 HydrophobicContact CB-CZ 3.29Å
1116K87.1Confident83.3Confident23 Ų2329.8 Ų29.810%0.115%0.146CC..Hα-helixtrans-52.2-47.9169.5-176.8174.3174.3-175.50110.4E1110 G1114 Q1119 F1120 F1129 E1316E1110-K1116 HydrophobicContact CG-CB 3.98Å; E1110-K1116 PolarHBondContact O-N 3.42Å; G1114-K1116 VanDerWaalsContact C-N 3.3Å; G1114-K1116 PolarHBondContact O-N 2.93Å; K1116-Q1119 PolarHBondContact O-N 2.9Å; K1116-F1120 HydrophobicContact CD-CE2 4.3Å; K1116-F1120 HydrophobicContact CG-CD2 3.91Å; K1116-F1120 HydrophobicContact CG-CE2 3.67Å; K1116-F1120 WeakPolarHBondContact O-CD2 3.46Å; K1116-F1120 PolarHBondContact O-N 2.8Å; K1116-F1120 VanDerWaalsContact O-N 3.08Å; K1116-F1129 HydrophobicContact CD-CE1 4.44Å; K1116-F1129 HydrophobicContact CD-CZ 4.15Å; K1116-F1129 HydrophobicContact CG-CE2 4.34Å; K1116-F1129 HydrophobicContact CG-CZ 4Å; K1116-E1316 WeakPolarHBondContact CE-OE1 3.16Å; K1116-E1316 IonicContact NZ-OE1 3.45Å; K1116-E1316 PolarHBondContact NZ-OE1 3.35Å; K1116-E1316 IonicContact NZ-OE2 3.68Å; K1116-E1316 PolarHBondContact NZ-OE2 3.23Å
1117H80.2Confident83.3Confident57 Ų5731.2 Ų31.226%0.26416%0.164SC..Hα-helixtrans-67.1-44.2-179.7173.758.9000111.8G1114 A1115 Q1119 F1120 L1121 C1428G1114-H1117 WeakPolarHBondContact O-CB 3.42Å; G1114-H1117 PolarHBondContact O-N 3.41Å; G1114-H1117 VanDerWaalsContact O-N 3.13Å; A1115-H1117 PolarHBondContact O-N 3.27Å; H1117-Q1119 VanDerWaalsContact C-N 3.28Å; H1117-Q1119 PolarHBondContact O-N 3.38Å; H1117-F1120 CarbonylContact O-C 3.54Å; H1117-F1120 PolarHBondContact O-N 3.39Å; H1117-F1120 VanDerWaalsContact O-N 3.11Å; H1117-L1121 PolarHBondContact O-N 3.36Å; H1117-C1428 PolarHBondContact CE1-SG 3.16Å; H1117-C1428 PolarHBondContact NE2-SG 2.61Å
1118L84.6Confident83.4Confident9 Ų931.3 Ų31.35%0.04717%0.165CC..Hα-helixtrans-62.7-34.7178.2-168.857.4000112.4G1114 A1115 L1121 S1122 Y1456 A1462 Y1476 I1542G1114-L1118 PolarHBondContact O-N 3.23Å; G1114-L1118 VanDerWaalsContact O-N 3.11Å; A1115-L1118 PolarHBondContact O-N 3Å; L1118-L1121 PolarHBondContact O-N 3.04Å; L1118-S1122 WeakPolarHBondContact O-CB 3.19Å; L1118-S1122 PolarHBondContact O-N 2.97Å; L1118-S1122 PolarHBondContact O-OG 2.6Å; L1118-Y1456 HydrophobicContact CD1-CD1 4.41Å; L1118-A1462 HydrophobicContact CD2-CB 3.97Å; L1118-Y1476 HydrophobicContact CB-CE1 4.39Å; L1118-Y1476 HydrophobicContact CD2-CE1 4.13Å; L1118-Y1476 WeakPolarHBondContact CD2-OH 3.3Å; L1118-Y1476 HydrophobicContact CG-CE1 3.78Å; L1118-I1542 HydrophobicContact CD2-CG2 3.96Å; L1118-I1542 HydrophobicContact CG-CG2 4.47Å
1119Q88Confident83.7Confident0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-64.5-45.4171.1-71.6172.814.800112E1110 A1115 K1116 H1117 L1121 S1122 M1124 Y1476 L1479E1110-Q1119 PolarHBondContact OE1-NE2 2.63Å; E1110-Q1119 PolarHBondContact OE1-OE1 3.39Å; A1115-Q1119 VanDerWaalsContact O-CG 3.31Å; A1115-Q1119 WeakPolarHBondContact O-CG 3.33Å; A1115-Q1119 PolarHBondContact O-N 3Å; K1116-Q1119 PolarHBondContact O-N 2.9Å; H1117-Q1119 VanDerWaalsContact C-N 3.28Å; H1117-Q1119 PolarHBondContact O-N 3.38Å; Q1119-L1121 PolarHBondContact O-N 3.14Å; Q1119-S1122 CarbonylContact O-C 3.41Å; Q1119-S1122 WeakPolarHBondContact O-CA 3.34Å; Q1119-S1122 PolarHBondContact O-N 3.36Å; Q1119-M1124 HydrophobicContact CB-CB 4.48Å; Q1119-M1124 HydrophobicContact CB-SD 3.82Å; Q1119-M1124 WeakPolarHBondContact O-CB 3.47Å; Q1119-M1124 PolarHBondContact O-N 3.27Å; Q1119-Y1476 HydrophobicContact CG-CE1 4.46Å; Q1119-L1479 HydrophobicContact CB-CD1 4.26Å; Q1119-L1479 HydrophobicContact CG-CD1 3.85Å
1120F85.6Confident84.3Confident41 Ų4129 Ų2918%0.1816%0.156CC..Hα-helixtrans-65.2-19.7174-79.6-61000113.6K1116 H1117 M1124 L1126 F1129 K1451K1116-F1120 HydrophobicContact CD-CE2 4.3Å; K1116-F1120 HydrophobicContact CG-CD2 3.91Å; K1116-F1120 HydrophobicContact CG-CE2 3.67Å; K1116-F1120 WeakPolarHBondContact O-CD2 3.46Å; K1116-F1120 PolarHBondContact O-N 2.8Å; K1116-F1120 VanDerWaalsContact O-N 3.08Å; H1117-F1120 CarbonylContact O-C 3.54Å; H1117-F1120 PolarHBondContact O-N 3.39Å; H1117-F1120 VanDerWaalsContact O-N 3.11Å; F1120-M1124 HydrophobicContact CD1-CB 4.49Å; F1120-L1126 HydrophobicContact CE1-CB 4.44Å; F1120-L1126 HydrophobicContact CE1-CD1 4.41Å; F1120-L1126 HydrophobicContact CZ-CD1 4.11Å; F1120-F1129 HydrophobicContact CE1-CB 4.41Å; F1120-F1129 HydrophobicContact CE2-CD1 4.49Å; F1120-F1129 HydrophobicContact CE2-CG 4.47Å; F1120-F1129 HydrophobicContact CZ-CB 4.08Å; F1120-F1129 HydrophobicContact CZ-CD1 4.08Å; F1120-F1129 HydrophobicContact CZ-CD2 4.46Å; F1120-F1129 AromaticContact CZ-CG 3.95Å; F1120-F1129 HydrophobicContact CZ-CG 3.95Å; F1120-K1451 WeakPolarHBondContact O-CE 3.32Å; F1120-K1451 PolarHBondContact O-NZ 3.42Å
1121L83Confident84.7Confident6 Ų632.2 Ų32.23%0.03118%0.176CC..Hα-helixtrans-82.8-29.1169-164.271.9000111.9H1117 L1118 Q1119 N1123 C1426 W1447 K1451 L1454 Y1456H1117-L1121 PolarHBondContact O-N 3.36Å; L1118-L1121 PolarHBondContact O-N 3.04Å; Q1119-L1121 PolarHBondContact O-N 3.14Å; L1121-N1123 PolarHBondContact O-N 3.37Å; L1121-C1426 HydrophobicContact CD1-CB 4.31Å; L1121-C1426 WeakPolarHBondContact CD1-O 3.45Å; L1121-W1447 HydrophobicContact CD1-CH2 3.74Å; L1121-W1447 HydrophobicContact CD1-CZ2 3.95Å; L1121-K1451 VanDerWaalsContact C-CE 3.44Å; L1121-K1451 HydrophobicContact CD1-CG 4.43Å; L1121-K1451 WeakPolarHBondContact O-CE 3.14Å; L1121-K1451 WeakPolarHBondContact O-CG 3.17Å; L1121-L1454 HydrophobicContact CD1-CD2 4.14Å; L1121-L1454 HydrophobicContact CD2-CD2 4.43Å; L1121-Y1456 HydrophobicContact CD2-CD1 3.65Å; L1121-Y1456 HydrophobicContact CD2-CG 3.82Å
1122S85.1Confident85.2Confident4 Ų427.9 Ų27.93%0.02816%0.16CC..THydrogen-bonded Turntrans-83.447.1177.4-50.70000112.6L1118 Q1119 M1124 Y1476 L1479L1118-S1122 WeakPolarHBondContact O-CB 3.19Å; L1118-S1122 PolarHBondContact O-N 2.97Å; L1118-S1122 PolarHBondContact O-OG 2.6Å; Q1119-S1122 CarbonylContact O-C 3.41Å; Q1119-S1122 WeakPolarHBondContact O-CA 3.34Å; Q1119-S1122 PolarHBondContact O-N 3.36Å; S1122-M1124 PolarHBondContact O-N 2.95Å; S1122-Y1476 WeakPolarHBondContact OG-CD1 3.47Å; S1122-L1479 CarbonylContact O-C 3.57Å; S1122-L1479 VanDerWaalsContact O-C 3.25Å; S1122-L1479 VanDerWaalsContact O-CB 3.32Å; S1122-L1479 WeakPolarHBondContact O-CB 3.3Å
1123N82Confident86.1Confident35 Ų3522 Ų2219%0.18713%0.133CC..THydrogen-bonded Turntrans61.510.4176.3-67.6-21.7000118.3Q892 L1121 K1451Q892-N1123 VanDerWaalsContact NE2-C 3.33Å; Q892-N1123 PolarHBondContact NE2-O 3.03Å; L1121-N1123 PolarHBondContact O-N 3.37Å; N1123-K1451 VanDerWaalsContact CA-NZ 3.32Å; N1123-K1451 WeakPolarHBondContact OD1-CE 3.3Å
1124M85.9Confident87.2Confident5 Ų522.5 Ų22.53%0.02513%0.131CC..  trans-69.1135.8177.9-168.7169.2-15900113.9M896 Q1119 F1120 S1122 F1129 L1479M896-M1124 HydrophobicContact CE-CE 3.56Å; M896-M1124 HydrophobicContact CE-SD 4.38Å; M896-M1124 HydrophobicContact CG-CE 3.18Å; M896-M1124 HydrophobicContact CG-SD 4.44Å; M896-M1124 HydrophobicContact SD-CE 3.25Å; M896-M1124 WeakPolarHBondContact SD-CE 3.3Å; M896-M1124 HydrophobicContact SD-SD 3.89Å; Q1119-M1124 HydrophobicContact CB-CB 4.48Å; Q1119-M1124 HydrophobicContact CB-SD 3.82Å; Q1119-M1124 WeakPolarHBondContact O-CB 3.47Å; Q1119-M1124 PolarHBondContact O-N 3.27Å; F1120-M1124 HydrophobicContact CD1-CB 4.49Å; S1122-M1124 PolarHBondContact O-N 2.95Å; M1124-F1129 HydrophobicContact CE-CB 3.42Å; M1124-F1129 VanDerWaalsContact CE-CB 3.42Å; M1124-F1129 HydrophobicContact CE-CD2 3.63Å; M1124-F1129 HydrophobicContact CE-CG 4Å; M1124-F1129 HydrophobicContact CG-CB 4.33Å; M1124-F1129 HydrophobicContact SD-CB 3.91Å; M1124-F1129 HydrophobicContact SD-CD2 3.55Å; M1124-F1129 VanDerWaalsContact SD-CD2 3.55Å; M1124-F1129 HydrophobicContact SD-CG 4.18Å; M1124-L1479 HydrophobicContact CB-CD2 4.38Å; M1124-L1479 HydrophobicContact SD-CD2 4.43Å
1125S83.7Confident88Confident49 Ų4926.2 Ų26.234%0.34315%0.149SC..  trans-85.5149173.2100.30000112.2T1128 F1129S1125-T1128 VanDerWaalsContact OG-CB 3.3Å; S1125-T1128 WeakPolarHBondContact OG-CB 3.46Å; S1125-T1128 PolarHBondContact OG-N 3.03Å; S1125-T1128 PolarHBondContact OG-OG1 3.38Å; S1125-F1129 WeakPolarHBondContact O-CB 3.41Å; S1125-F1129 PolarHBondContact O-N 3.45Å; S1125-F1129 VanDerWaalsContact O-N 3.1Å
1126L86Confident88.6Confident53 Ų5328.6 Ų28.628%0.27716%0.158SC..Hα-helixtrans-61.4-44.8178.217863.2000112.4F1120 F1129 W1130 E1316 T1317F1120-L1126 HydrophobicContact CE1-CB 4.44Å; F1120-L1126 HydrophobicContact CE1-CD1 4.41Å; F1120-L1126 HydrophobicContact CZ-CD1 4.11Å; L1126-F1129 PolarHBondContact O-N 3.47Å; L1126-W1130 VanDerWaalsContact CD1-CD1 3.45Å; L1126-W1130 VanDerWaalsContact CD1-NE1 3.28Å; L1126-W1130 VanDerWaalsContact O-CD1 3.27Å; L1126-W1130 PolarHBondContact O-N 3.28Å; L1126-E1316 HydrophobicContact CD1-CB 4.19Å; L1126-E1316 HydrophobicContact CD1-CG 3.39Å; L1126-T1317 HydrophobicContact CD2-CG2 3.91Å
1127G86.4Confident88.9Confident43 Ų4327.6 Ų27.644%0.44315%0.153SC..Hα-helixtrans-65.9-45.7-179.800000112.4F1129 W1130 T1131G1127-F1129 VanDerWaalsContact C-N 3.29Å; G1127-F1129 PolarHBondContact O-N 2.97Å; G1127-W1130 PolarHBondContact O-N 3.46Å; G1127-T1131 WeakPolarHBondContact O-CB 3.37Å; G1127-T1131 VanDerWaalsContact O-CG2 3.26Å; G1127-T1131 WeakPolarHBondContact O-CG2 3.27Å; G1127-T1131 PolarHBondContact O-N 2.95Å; G1127-T1131 PolarHBondContact O-OG1 2.64Å
1128T90.7Very high89.6Confident9 Ų927 Ų276%0.05515%0.15CC..Hα-helixtrans-63.6-35.7178.6-48.10000111.8C889 Q892 F893 S1125 T1131 A1132C889-T1128 PolarHBondContact SG-OG1 3.08Å; Q892-T1128 HydrophobicContact CB-CG2 4.26Å; F893-T1128 HydrophobicContact CB-CG2 3.74Å; F893-T1128 HydrophobicContact CD2-CG2 4.24Å; S1125-T1128 VanDerWaalsContact OG-CB 3.3Å; S1125-T1128 WeakPolarHBondContact OG-CB 3.46Å; S1125-T1128 PolarHBondContact OG-N 3.03Å; S1125-T1128 PolarHBondContact OG-OG1 3.38Å; T1128-T1131 WeakPolarHBondContact CA-OG1 3.38Å; T1128-T1131 PolarHBondContact O-OG1 3Å; T1128-A1132 VanDerWaalsContact O-CB 3.24Å; T1128-A1132 WeakPolarHBondContact O-CB 3.4Å; T1128-A1132 PolarHBondContact O-N 3.26Å; T1128-A1132 VanDerWaalsContact O-N 3.14Å
1129F92.6Very high90Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-62-53.5177.3177-95.6000112.4M896 K1116 F1120 M1124 S1125 L1126 G1127 N1133M896-F1129 HydrophobicContact CE-CD2 3.55Å; M896-F1129 HydrophobicContact CE-CE2 3.88Å; M896-F1129 HydrophobicContact CE-CG 4.43Å; K1116-F1129 HydrophobicContact CD-CE1 4.44Å; K1116-F1129 HydrophobicContact CD-CZ 4.15Å; K1116-F1129 HydrophobicContact CG-CE2 4.34Å; K1116-F1129 HydrophobicContact CG-CZ 4Å; F1120-F1129 HydrophobicContact CE1-CB 4.41Å; F1120-F1129 HydrophobicContact CE2-CD1 4.49Å; F1120-F1129 HydrophobicContact CE2-CG 4.47Å; F1120-F1129 HydrophobicContact CZ-CB 4.08Å; F1120-F1129 HydrophobicContact CZ-CD1 4.08Å; F1120-F1129 HydrophobicContact CZ-CD2 4.46Å; F1120-F1129 AromaticContact CZ-CG 3.95Å; F1120-F1129 HydrophobicContact CZ-CG 3.95Å; M1124-F1129 HydrophobicContact CE-CB 3.42Å; M1124-F1129 VanDerWaalsContact CE-CB 3.42Å; M1124-F1129 HydrophobicContact CE-CD2 3.63Å; M1124-F1129 HydrophobicContact CE-CG 4Å; M1124-F1129 HydrophobicContact CG-CB 4.33Å; M1124-F1129 HydrophobicContact SD-CB 3.91Å; M1124-F1129 HydrophobicContact SD-CD2 3.55Å; M1124-F1129 VanDerWaalsContact SD-CD2 3.55Å; M1124-F1129 HydrophobicContact SD-CG 4.18Å; S1125-F1129 WeakPolarHBondContact O-CB 3.41Å; S1125-F1129 PolarHBondContact O-N 3.45Å; S1125-F1129 VanDerWaalsContact O-N 3.1Å; L1126-F1129 PolarHBondContact O-N 3.47Å; G1127-F1129 VanDerWaalsContact C-N 3.29Å; G1127-F1129 PolarHBondContact O-N 2.97Å; F1129-N1133 WeakPolarHBondContact CE1-ND2 3.46Å; F1129-N1133 VanDerWaalsContact CZ-ND2 3.29Å; F1129-N1133 WeakPolarHBondContact CZ-ND2 3.26Å; F1129-N1133 PolarHBondContact O-N 3.34Å; F1129-N1133 PolarHBondContact O-ND2 3.33Å; F1129-N1133 VanDerWaalsContact O-ND2 3.12Å
1130W93.7Very high90.1Very high20 Ų2033.6 Ų33.68%0.07618%0.182CC..Hα-helixtrans-73.6-38.5-176.1-70116.9000112.8I1107 L1126 G1127 N1133 F1134 Y1185 L1312 E1316I1107-W1130 HydrophobicContact CD1-CZ3 4.1Å; I1107-W1130 HydrophobicContact CG2-CH2 4.15Å; I1107-W1130 HydrophobicContact CG2-CZ3 4.33Å; L1126-W1130 VanDerWaalsContact CD1-CD1 3.45Å; L1126-W1130 VanDerWaalsContact CD1-NE1 3.28Å; L1126-W1130 VanDerWaalsContact O-CD1 3.27Å; L1126-W1130 PolarHBondContact O-N 3.28Å; G1127-W1130 PolarHBondContact O-N 3.46Å; W1130-N1133 PolarHBondContact O-N 2.8Å; W1130-F1134 VanDerWaalsContact O-CB 3.24Å; W1130-F1134 WeakPolarHBondContact O-CB 3.47Å; W1130-F1134 PolarHBondContact O-N 3.41Å; W1130-Y1185 AromaticContact CE3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CE3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CE3-CE2 4.23Å; W1130-Y1185 HydrophobicContact CE3-CG 4.42Å; W1130-Y1185 AromaticContact CZ3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CZ3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CZ3-CE2 4.45Å; W1130-Y1185 AromaticContact CZ3-CG 3.95Å; W1130-Y1185 HydrophobicContact CZ3-CG 3.95Å; W1130-L1312 HydrophobicContact CD2-CD2 3.93Å; W1130-L1312 HydrophobicContact CE3-CD2 3.84Å; W1130-L1312 HydrophobicContact CG-CD2 4.48Å; W1130-L1312 HydrophobicContact CH2-CD1 3.8Å; W1130-L1312 HydrophobicContact CH2-CD2 4.33Å; W1130-L1312 HydrophobicContact CH2-CG 4.47Å; W1130-L1312 HydrophobicContact CZ2-CD1 3.83Å; W1130-L1312 HydrophobicContact CZ2-CD2 4.42Å; W1130-L1312 HydrophobicContact CZ2-CG 4.29Å; W1130-L1312 HydrophobicContact CZ3-CD1 4.29Å; W1130-L1312 HydrophobicContact CZ3-CD2 4.05Å; W1130-E1316 HydrophobicContact CZ2-CG 4.35Å
1131T93.2Very high90.5Very high70 Ų7031.7 Ų31.743%0.42917%0.173SC..Hα-helixtrans-63.7-42.2177.250.90000112.3G1127 T1128 F1134 L1135G1127-T1131 WeakPolarHBondContact O-CB 3.37Å; G1127-T1131 VanDerWaalsContact O-CG2 3.26Å; G1127-T1131 WeakPolarHBondContact O-CG2 3.27Å; G1127-T1131 PolarHBondContact O-N 2.95Å; G1127-T1131 PolarHBondContact O-OG1 2.64Å; T1128-T1131 WeakPolarHBondContact CA-OG1 3.38Å; T1128-T1131 PolarHBondContact O-OG1 3Å; T1131-F1134 PolarHBondContact O-N 2.98Å; T1131-L1135 WeakPolarHBondContact O-CB 3.29Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.28Å; T1131-L1135 PolarHBondContact O-N 3.3Å
1132A94.6Very high91.1Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-65.9-41.8176.900000112.5F893 M896 I897 T1128 W1136F893-A1132 HydrophobicContact CD2-CB 3.76Å; F893-A1132 HydrophobicContact CE2-CB 3.78Å; M896-A1132 HydrophobicContact CB-CB 3.51Å; M896-A1132 HydrophobicContact CG-CB 4.32Å; I897-A1132 HydrophobicContact CD1-CB 4.21Å; I897-A1132 WeakPolarHBondContact CD1-O 3.25Å; T1128-A1132 VanDerWaalsContact O-CB 3.24Å; T1128-A1132 WeakPolarHBondContact O-CB 3.4Å; T1128-A1132 PolarHBondContact O-N 3.26Å; T1128-A1132 VanDerWaalsContact O-N 3.14Å; A1132-W1136 PolarHBondContact O-N 2.87Å
1133N93.9Very high91.4Very high0 Ų037.8 Ų37.80%021%0.205CC..Hα-helixtrans-65.1-47.1176.2-75.7-36.5000111.2R900 I1107 F1129 W1130 W1136 D1137 Y1185R900-N1133 WeakPolarHBondContact CD-OD1 3.49Å; I1107-N1133 HydrophobicContact CD1-CB 4.41Å; F1129-N1133 WeakPolarHBondContact CE1-ND2 3.46Å; F1129-N1133 VanDerWaalsContact CZ-ND2 3.29Å; F1129-N1133 WeakPolarHBondContact CZ-ND2 3.26Å; F1129-N1133 PolarHBondContact O-N 3.34Å; F1129-N1133 PolarHBondContact O-ND2 3.33Å; F1129-N1133 VanDerWaalsContact O-ND2 3.12Å; W1130-N1133 PolarHBondContact O-N 2.8Å; N1133-W1136 PolarHBondContact O-N 3.39Å; N1133-D1137 WeakPolarHBondContact O-CB 3.47Å; N1133-D1137 PolarHBondContact O-N 2.88Å; N1133-Y1185 PolarHBondContact O-OH 3.43Å; N1133-Y1185 VanDerWaalsContact O-OH 3.14Å
1134F95.4Very high92Very high38 Ų3836.1 Ų36.117%0.16720%0.196CC..Hα-helixtrans-59.2-49.3178.7177.3-96.8000111.5W1130 T1131 W1136 D1137 F1138 W1178 I1181 P1182 Y1185W1130-F1134 VanDerWaalsContact O-CB 3.24Å; W1130-F1134 WeakPolarHBondContact O-CB 3.47Å; W1130-F1134 PolarHBondContact O-N 3.41Å; T1131-F1134 PolarHBondContact O-N 2.98Å; F1134-W1136 VanDerWaalsContact C-N 3.34Å; F1134-W1136 PolarHBondContact O-N 2.69Å; F1134-D1137 PolarHBondContact O-N 3.41Å; F1134-F1138 HydrophobicContact CE1-CB 4.25Å; F1134-F1138 HydrophobicContact CE1-CD2 4.22Å; F1134-F1138 HydrophobicContact CE1-CG 4.31Å; F1134-F1138 HydrophobicContact CE2-CD2 4.34Å; F1134-F1138 HydrophobicContact CZ-CB 4.33Å; F1134-F1138 AromaticContact CZ-CD2 3.69Å; F1134-F1138 HydrophobicContact CZ-CD2 3.69Å; F1134-F1138 HydrophobicContact CZ-CE2 4.34Å; F1134-F1138 HydrophobicContact CZ-CG 4.22Å; F1134-F1138 WeakPolarHBondContact O-CB 3.14Å; F1134-F1138 PolarHBondContact O-N 3.47Å; F1134-W1178 HydrophobicContact CE1-CE3 4.18Å; F1134-W1178 HydrophobicContact CE1-CZ3 4.12Å; F1134-W1178 HydrophobicContact CE2-CE3 4.33Å; F1134-W1178 AromaticContact CZ-CE3 3.57Å; F1134-W1178 HydrophobicContact CZ-CE3 3.57Å; F1134-W1178 AromaticContact CZ-CZ3 3.88Å; F1134-W1178 HydrophobicContact CZ-CZ3 3.88Å; F1134-I1181 HydrophobicContact CD2-CB 4.32Å; F1134-I1181 HydrophobicContact CD2-CG2 3.8Å; F1134-I1181 HydrophobicContact CE2-CB 4.17Å; F1134-I1181 HydrophobicContact CE2-CG2 4.16Å; F1134-P1182 HydrophobicContact CD2-CG 4.42Å; F1134-P1182 HydrophobicContact CE2-CG 4.14Å; F1134-Y1185 WeakPolarHBondContact CA-OH 3.27Å; F1134-Y1185 HydrophobicContact CB-CE2 4.27Å; F1134-Y1185 PolarHBondContact N-OH 2.96Å
1135L94.8Very high92.3Very high89 Ų8935.9 Ų35.947%0.46620%0.195SC..Hα-helixtrans-63.2-38.5-178.5-73.7171.2000112.6F893 T1131 F1139F893-L1135 HydrophobicContact CE2-CD1 3.88Å; F893-L1135 HydrophobicContact CZ-CD1 3.64Å; T1131-L1135 WeakPolarHBondContact O-CB 3.29Å; T1131-L1135 VanDerWaalsContact O-CG 3.27Å; T1131-L1135 WeakPolarHBondContact O-CG 3.28Å; T1131-L1135 PolarHBondContact O-N 3.3Å; L1135-F1139 VanDerWaalsContact O-CB 3.3Å; L1135-F1139 WeakPolarHBondContact O-CB 3Å; L1135-F1139 PolarHBondContact O-N 3.02Å
1136W94.2Very high92.8Very high50 Ų5037.2 Ų37.219%0.18920%0.197CC..Hα-helixtrans-66-46.9175.4-179.8-87.6000112I897 R900 A901 A904 A1132 N1133 F1134 F1138 F1139 A1140I897-W1136 HydrophobicContact CD1-CB 4.35Å; I897-W1136 HydrophobicContact CG2-CE3 4.17Å; I897-W1136 HydrophobicContact CG2-CZ3 4.41Å; R900-W1136 HydrophobicContact CB-CB 4.06Å; R900-W1136 HydrophobicContact CB-CD2 3.58Å; R900-W1136 HydrophobicContact CB-CE3 4.23Å; R900-W1136 HydrophobicContact CB-CG 3.43Å; R900-W1136 VanDerWaalsContact CB-CG 3.43Å; R900-W1136 HydrophobicContact CG-CB 4.14Å; R900-W1136 HydrophobicContact CG-CG 3.99Å; A901-W1136 HydrophobicContact CB-CE3 4.49Å; A901-W1136 HydrophobicContact CB-CH2 3.44Å; A901-W1136 VanDerWaalsContact CB-CH2 3.44Å; A901-W1136 HydrophobicContact CB-CZ2 4.17Å; A901-W1136 HydrophobicContact CB-CZ3 3.61Å; A904-W1136 HydrophobicContact CB-CZ2 3.5Å; A904-W1136 VanDerWaalsContact CB-CZ2 3.5Å; A1132-W1136 PolarHBondContact O-N 2.87Å; N1133-W1136 PolarHBondContact O-N 3.39Å; F1134-W1136 VanDerWaalsContact C-N 3.34Å; F1134-W1136 PolarHBondContact O-N 2.69Å; W1136-F1138 VanDerWaalsContact C-N 3.32Å; W1136-F1139 PolarHBondContact O-N 2.89Å; W1136-A1140 PolarHBondContact O-N 3.23Å
1137D93.4Very high93.1Very high1 Ų135.8 Ų35.81%0.00519%0.193CC..Hα-helixtrans-67.5-36.7-179.7-71.3-7.8000111.2R900 F1103 N1133 F1134 A1140 Y1141 I1181 Y1185R900-D1137 IonicContact CZ-OD1 3.26Å; R900-D1137 IonicContact NE-OD1 2.95Å; R900-D1137 IonicContact NH2-OD1 3Å; R900-D1137 PolarHBondContact NH2-OD1 3.32Å; R900-D1137 IonicContact NH2-OD2 2.76Å; F1103-D1137 HydrophobicContact CD1-CB 3.71Å; F1103-D1137 HydrophobicContact CE1-CB 3.95Å; F1103-D1137 HydrophobicContact CG-CB 4.38Å; N1133-D1137 WeakPolarHBondContact O-CB 3.47Å; N1133-D1137 PolarHBondContact O-N 2.88Å; F1134-D1137 PolarHBondContact O-N 3.41Å; D1137-A1140 PolarHBondContact O-N 2.99Å; D1137-Y1141 VanDerWaalsContact O-CB 3.25Å; D1137-Y1141 WeakPolarHBondContact O-CB 3.43Å; D1137-Y1141 PolarHBondContact O-N 3.2Å; D1137-I1181 HydrophobicContact CB-CD1 4.29Å; D1137-I1181 HydrophobicContact CB-CG2 4.19Å; D1137-Y1185 VanDerWaalsContact CG-OH 3.28Å; D1137-Y1185 WeakPolarHBondContact OD2-CE1 3.18Å; D1137-Y1185 PolarHBondContact OD2-OH 3.47Å
1138F95.2Very high93.4Very high45 Ų4533.8 Ų33.820%0.19717%0.172CC..Hα-helixtrans-66.4-38.8174-164.7-92.5000111.6F1134 W1136 Y1141 L1142 L1174 I1181F1134-F1138 HydrophobicContact CE1-CB 4.25Å; F1134-F1138 HydrophobicContact CE1-CD2 4.22Å; F1134-F1138 HydrophobicContact CE1-CG 4.31Å; F1134-F1138 HydrophobicContact CE2-CD2 4.34Å; F1134-F1138 HydrophobicContact CZ-CB 4.33Å; F1134-F1138 AromaticContact CZ-CD2 3.69Å; F1134-F1138 HydrophobicContact CZ-CD2 3.69Å; F1134-F1138 HydrophobicContact CZ-CE2 4.34Å; F1134-F1138 HydrophobicContact CZ-CG 4.22Å; F1134-F1138 WeakPolarHBondContact O-CB 3.14Å; F1134-F1138 PolarHBondContact O-N 3.47Å; W1136-F1138 VanDerWaalsContact C-N 3.32Å; F1138-Y1141 WeakPolarHBondContact O-CB 3.27Å; F1138-Y1141 PolarHBondContact O-N 2.91Å; F1138-L1142 VanDerWaalsContact O-CB 3.28Å; F1138-L1142 WeakPolarHBondContact O-CB 3.22Å; F1138-L1142 PolarHBondContact O-N 2.99Å; F1138-L1174 HydrophobicContact CE1-CD2 3.96Å; F1138-L1174 HydrophobicContact CZ-CD2 3.72Å; F1138-I1181 HydrophobicContact CB-CD1 4.16Å; F1138-I1181 HydrophobicContact CD2-CD1 4.06Å
1139F93.5Very high93.5Very high131 Ų13134 Ų3458%0.57517%0.173SC*.Hα-helixtrans-64.3-45.6172.6176.1-99.2000112.1L1135 W1136 Y1141 L1142 L1143L1135-F1139 VanDerWaalsContact O-CB 3.3Å; L1135-F1139 WeakPolarHBondContact O-CB 3Å; L1135-F1139 PolarHBondContact O-N 3.02Å; W1136-F1139 PolarHBondContact O-N 2.89Å; F1139-Y1141 VanDerWaalsContact C-N 3.27Å; F1139-Y1141 PolarHBondContact O-N 3.4Å; F1139-L1142 WeakPolarHBondContact O-CB 3.39Å; F1139-L1142 PolarHBondContact O-N 3.2Å; F1139-L1143 PolarHBondContact O-N 3.43Å; F1139-L1143 VanDerWaalsContact O-N 3.14Å
1140A89.9Confident93.5Very high17 Ų1738.2 Ų38.214%0.1420%0.195CC..Hα-helixtrans-62.6-37.1174.700000111.7F1103 W1136 D1137F1103-A1140 HydrophobicContact CE1-CB 4.45Å; W1136-A1140 PolarHBondContact O-N 3.23Å; D1137-A1140 PolarHBondContact O-N 2.99Å
1141Y94.4Very high93.4Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-63.8-45.4173.6172.3-89.2000112.1F1096 M1099 F1103 D1137 F1138 F1139 L1143 T1144 A1145 L1173 Y1176F1096-Y1141 AromaticContact CD1-CE2 3.95Å; F1096-Y1141 HydrophobicContact CD1-CE2 3.95Å; F1096-Y1141 HydrophobicContact CE1-CD2 4.35Å; F1096-Y1141 AromaticContact CE1-CE2 3.43Å; F1096-Y1141 HydrophobicContact CE1-CE2 3.43Å; F1096-Y1141 VanDerWaalsContact CE1-CE2 3.43Å; F1096-Y1141 AromaticContact CE1-CZ 3.88Å; F1096-Y1141 HydrophobicContact CZ-CE2 4.41Å; M1099-Y1141 VanDerWaalsContact CE-CA 3.44Å; M1099-Y1141 HydrophobicContact CE-CD2 3.36Å; M1099-Y1141 HydrophobicContact CE-CE2 4.06Å; M1099-Y1141 HydrophobicContact CE-CG 3.96Å; M1099-Y1141 HydrophobicContact SD-CD2 4.29Å; F1103-Y1141 HydrophobicContact CE2-CD2 4.33Å; D1137-Y1141 VanDerWaalsContact O-CB 3.25Å; D1137-Y1141 WeakPolarHBondContact O-CB 3.43Å; D1137-Y1141 PolarHBondContact O-N 3.2Å; F1138-Y1141 WeakPolarHBondContact O-CB 3.27Å; F1138-Y1141 PolarHBondContact O-N 2.91Å; F1139-Y1141 VanDerWaalsContact C-N 3.27Å; F1139-Y1141 PolarHBondContact O-N 3.4Å; Y1141-L1143 VanDerWaalsContact C-N 3.25Å; Y1141-L1143 PolarHBondContact O-N 2.92Å; Y1141-T1144 WeakPolarHBondContact O-CB 3.26Å; Y1141-T1144 PolarHBondContact O-N 3.34Å; Y1141-A1145 HydrophobicContact CE1-CB 4.15Å; Y1141-A1145 PolarHBondContact O-N 2.89Å; Y1141-L1173 VanDerWaalsContact CE1-O 3.24Å; Y1141-L1173 WeakPolarHBondContact CE1-O 3.5Å; Y1141-L1173 PolarHBondContact OH-O 2.69Å; Y1141-Y1176 HydrophobicContact CE2-CD1 4.11Å; Y1141-Y1176 HydrophobicContact CE2-CE1 4.46Å
1142L94Very high93.2Very high47 Ų4734.9 Ų34.925%0.24618%0.176CC..Hα-helixtrans-60.1-36.2-179.8-176.862.8000111.8F1138 F1139 T1144 A1145 I1146 L1174F1138-L1142 VanDerWaalsContact O-CB 3.28Å; F1138-L1142 WeakPolarHBondContact O-CB 3.22Å; F1138-L1142 PolarHBondContact O-N 2.99Å; F1139-L1142 WeakPolarHBondContact O-CB 3.39Å; F1139-L1142 PolarHBondContact O-N 3.2Å; L1142-T1144 VanDerWaalsContact C-N 3.29Å; L1142-T1144 PolarHBondContact O-N 3.44Å; L1142-A1145 PolarHBondContact O-N 3.05Å; L1142-I1146 HydrophobicContact CD1-CD1 4.12Å; L1142-I1146 HydrophobicContact CD1-CG1 4.15Å; L1142-I1146 HydrophobicContact CD2-CD1 4.39Å; L1142-I1146 HydrophobicContact CG-CD1 3.8Å; L1142-I1146 HydrophobicContact CG-CG1 4.28Å; L1142-I1146 WeakPolarHBondContact O-CB 3.23Å; L1142-I1146 VanDerWaalsContact O-CG1 3.3Å; L1142-I1146 WeakPolarHBondContact O-CG1 3.26Å; L1142-I1146 PolarHBondContact O-N 2.85Å; L1142-L1174 HydrophobicContact CD1-CD2 3.8Å
1143L93Very high93Very high91 Ų9139.2 Ų39.248%0.47620%0.195SC..Hα-helixtrans-57.8-42.5174.4-176.463.8000111.9V915 F1139 Y1141 A1147V915-L1143 HydrophobicContact CG2-CD2 3.88Å; V915-L1143 HydrophobicContact CG2-CG 4.26Å; F1139-L1143 PolarHBondContact O-N 3.43Å; F1139-L1143 VanDerWaalsContact O-N 3.14Å; Y1141-L1143 VanDerWaalsContact C-N 3.25Å; Y1141-L1143 PolarHBondContact O-N 2.92Å; L1143-A1147 WeakPolarHBondContact O-CB 3.25Å; L1143-A1147 PolarHBondContact O-N 3.42Å
1144T92.5Very high92.8Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-70.7-40.9176.2-50.30000112Q914 V915 P918 V919 M1099 Y1141 L1142 I1146 A1147 I1148Q914-T1144 PolarHBondContact O-OG1 3.37Å; V915-T1144 WeakPolarHBondContact CA-OG1 3.34Å; P918-T1144 HydrophobicContact CB-CG2 3.73Å; P918-T1144 HydrophobicContact CG-CG2 3.82Å; V919-T1144 HydrophobicContact CG2-CG2 4.42Å; M1099-T1144 VanDerWaalsContact CE-CB 3.46Å; M1099-T1144 HydrophobicContact CE-CG2 4.05Å; M1099-T1144 VanDerWaalsContact CE-OG1 3.25Å; M1099-T1144 WeakPolarHBondContact CE-OG1 3.02Å; M1099-T1144 HydrophobicContact SD-CG2 3.65Å; Y1141-T1144 WeakPolarHBondContact O-CB 3.26Å; Y1141-T1144 PolarHBondContact O-N 3.34Å; L1142-T1144 VanDerWaalsContact C-N 3.29Å; L1142-T1144 PolarHBondContact O-N 3.44Å; T1144-I1146 PolarHBondContact O-N 3.31Å; T1144-A1147 PolarHBondContact O-N 2.92Å; T1144-I1148 HydrophobicContact CG2-CD1 4.13Å; T1144-I1148 WeakPolarHBondContact O-CG1 3.42Å; T1144-I1148 PolarHBondContact O-N 3.42Å
1145A93.3Very high92.3Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-61.1-44.6177.500000111.8Y1141 L1142 I1148 I1149 L1173Y1141-A1145 HydrophobicContact CE1-CB 4.15Å; Y1141-A1145 PolarHBondContact O-N 2.89Å; L1142-A1145 PolarHBondContact O-N 3.05Å; A1145-I1148 PolarHBondContact O-N 3.25Å; A1145-I1149 WeakPolarHBondContact O-CG1 3.42Å; A1145-I1149 PolarHBondContact O-N 3.48Å; A1145-I1149 VanDerWaalsContact O-N 3.11Å; A1145-L1173 HydrophobicContact CB-CB 4.13Å; A1145-L1173 HydrophobicContact CB-CD1 4.07Å
1146I94Very high91.6Very high77 Ų7750.9 Ų50.940%0.39525%0.248SC..Hα-helixtrans-64.1-43.6174.8-67169.3000110.6L1142 T1144 I1148 I1149 L1150L1142-I1146 HydrophobicContact CD1-CD1 4.12Å; L1142-I1146 HydrophobicContact CD1-CG1 4.15Å; L1142-I1146 HydrophobicContact CD2-CD1 4.39Å; L1142-I1146 HydrophobicContact CG-CD1 3.8Å; L1142-I1146 HydrophobicContact CG-CG1 4.28Å; L1142-I1146 WeakPolarHBondContact O-CB 3.23Å; L1142-I1146 VanDerWaalsContact O-CG1 3.3Å; L1142-I1146 WeakPolarHBondContact O-CG1 3.26Å; L1142-I1146 PolarHBondContact O-N 2.85Å; T1144-I1146 PolarHBondContact O-N 3.31Å; I1146-I1148 VanDerWaalsContact C-N 3.29Å; I1146-I1148 PolarHBondContact O-N 3.24Å; I1146-I1149 PolarHBondContact O-N 3.05Å; I1146-L1150 HydrophobicContact CG2-CD1 4.03Å; I1146-L1150 HydrophobicContact CG2-CG 4.23Å; I1146-L1150 WeakPolarHBondContact O-CG 3.19Å; I1146-L1150 PolarHBondContact O-N 3.22Å
1147A93.1Very high90.9Very high24 Ų2449.4 Ų49.420%0.19825%0.245CC..Hα-helixtrans-60-38.617800000112.6V919 L1143 T1144 L1150 V1151V919-A1147 HydrophobicContact CG2-CB 3.64Å; L1143-A1147 WeakPolarHBondContact O-CB 3.25Å; L1143-A1147 PolarHBondContact O-N 3.42Å; T1144-A1147 PolarHBondContact O-N 2.92Å; A1147-L1150 PolarHBondContact O-N 3.03Å; A1147-V1151 WeakPolarHBondContact O-CG2 3.49Å; A1147-V1151 PolarHBondContact O-N 3.34Å
1148I92.4Very high89.9Confident0 Ų054.1 Ų54.10%027%0.27CS..Hα-helixtrans-65.1-44.4174.9-71.7167.8000111.1P918 V919 V922 L1092 F1096 T1144 A1145 I1146 L1150 V1151 F1152P918-I1148 HydrophobicContact CB-CD1 4.05Å; V919-I1148 HydrophobicContact CG2-CG1 4.12Å; V922-I1148 HydrophobicContact CG1-CG2 4.42Å; V922-I1148 HydrophobicContact CG2-CD1 4.45Å; V922-I1148 HydrophobicContact CG2-CG1 4.3Å; V922-I1148 HydrophobicContact CG2-CG2 4.27Å; L1092-I1148 HydrophobicContact CD1-CD1 4.09Å; L1092-I1148 HydrophobicContact CD1-CG2 4.16Å; F1096-I1148 HydrophobicContact CD2-CD1 4.46Å; F1096-I1148 HydrophobicContact CE1-CD1 4.44Å; F1096-I1148 HydrophobicContact CE2-CD1 3.43Å; F1096-I1148 VanDerWaalsContact CE2-CD1 3.43Å; F1096-I1148 HydrophobicContact CZ-CD1 3.41Å; F1096-I1148 VanDerWaalsContact CZ-CD1 3.41Å; T1144-I1148 HydrophobicContact CG2-CD1 4.13Å; T1144-I1148 WeakPolarHBondContact O-CG1 3.42Å; T1144-I1148 PolarHBondContact O-N 3.42Å; A1145-I1148 PolarHBondContact O-N 3.25Å; I1146-I1148 VanDerWaalsContact C-N 3.29Å; I1146-I1148 PolarHBondContact O-N 3.24Å; I1148-L1150 VanDerWaalsContact C-N 3.33Å; I1148-L1150 PolarHBondContact O-N 3.42Å; I1148-V1151 WeakPolarHBondContact O-CB 3.33Å; I1148-V1151 PolarHBondContact O-N 3.2Å; I1148-F1152 HydrophobicContact CG2-CD2 4.15Å; I1148-F1152 HydrophobicContact CG2-CE2 3.52Å; I1148-F1152 HydrophobicContact CG2-CZ 3.78Å; I1148-F1152 PolarHBondContact O-N 2.95Å
1149I92.4Very high89Confident13 Ų1352.3 Ų52.37%0.06726%0.263CS..Hα-helixtrans-62-42.9176-67.4168.3000110.6A1145 I1146 V1151 F1152 F1153 L1170 L1173A1145-I1149 WeakPolarHBondContact O-CG1 3.42Å; A1145-I1149 PolarHBondContact O-N 3.48Å; A1145-I1149 VanDerWaalsContact O-N 3.11Å; I1146-I1149 PolarHBondContact O-N 3.05Å; I1149-V1151 VanDerWaalsContact C-N 3.29Å; I1149-V1151 PolarHBondContact O-N 3Å; I1149-F1152 WeakPolarHBondContact O-CB 3.48Å; I1149-F1152 PolarHBondContact O-N 2.67Å; I1149-F1152 VanDerWaalsContact O-N 3.08Å; I1149-F1153 HydrophobicContact CG2-CD2 3.77Å; I1149-F1153 HydrophobicContact CG2-CE2 3.59Å; I1149-F1153 VanDerWaalsContact O-CD2 3.3Å; I1149-F1153 WeakPolarHBondContact O-CD2 3.16Å; I1149-F1153 PolarHBondContact O-N 2.83Å; I1149-L1170 HydrophobicContact CD1-CB 3.88Å; I1149-L1170 HydrophobicContact CD1-CD1 3.73Å; I1149-L1170 HydrophobicContact CD1-CG 4.37Å; I1149-L1173 HydrophobicContact CD1-CD1 4.34Å; I1149-L1173 HydrophobicContact CG1-CD1 4.28Å
1150L92.5Very high88.5Confident90 Ų9046.1 Ų46.147%0.47124%0.236SC..Hα-helixtrans-60.8-37.7175.2-72.3174.3000112.2I1146 A1147 I1148 F1153 M1154I1146-L1150 HydrophobicContact CG2-CD1 4.03Å; I1146-L1150 HydrophobicContact CG2-CG 4.23Å; I1146-L1150 WeakPolarHBondContact O-CG 3.19Å; I1146-L1150 PolarHBondContact O-N 3.22Å; A1147-L1150 PolarHBondContact O-N 3.03Å; I1148-L1150 VanDerWaalsContact C-N 3.33Å; I1148-L1150 PolarHBondContact O-N 3.42Å; L1150-F1153 WeakPolarHBondContact O-CB 3.17Å; L1150-F1153 PolarHBondContact O-N 3.27Å; L1150-M1154 WeakPolarHBondContact O-CB 3.5Å; L1150-M1154 WeakPolarHBondContact O-CG 3.45Å; L1150-M1154 PolarHBondContact O-N 2.81Å
1151V91.3Very high88.1Confident14 Ų1446 Ų469%0.08523%0.233CC..Hα-helixtrans-62.5-43.7172.5165.30000110.7V919 V922 V923 I926 A1147 I1148 I1149 F1153 M1154 F1155V919-V1151 HydrophobicContact CG1-CG2 3.91Å; V922-V1151 HydrophobicContact CG1-CG1 4.05Å; V923-V1151 HydrophobicContact CG2-CG1 3.72Å; V923-V1151 HydrophobicContact CG2-CG2 3.9Å; I926-V1151 HydrophobicContact CD1-CG1 3.58Å; A1147-V1151 WeakPolarHBondContact O-CG2 3.49Å; A1147-V1151 PolarHBondContact O-N 3.34Å; I1148-V1151 WeakPolarHBondContact O-CB 3.33Å; I1148-V1151 PolarHBondContact O-N 3.2Å; I1149-V1151 VanDerWaalsContact C-N 3.29Å; I1149-V1151 PolarHBondContact O-N 3Å; V1151-F1153 VanDerWaalsContact C-N 3.3Å; V1151-F1153 PolarHBondContact O-N 3.15Å; V1151-M1154 PolarHBondContact O-N 3.41Å; V1151-M1154 VanDerWaalsContact O-N 3.17Å; V1151-F1155 HydrophobicContact CG1-CD2 3.8Å; V1151-F1155 HydrophobicContact CG1-CE2 4.03Å; V1151-F1155 WeakPolarHBondContact O-CD2 2.96Å; V1151-F1155 PolarHBondContact O-N 2.99Å
1152F90.2Very high87.3Confident6 Ų646.7 Ų46.73%0.02624%0.241CC..Hα-helixtrans-61.6-37.7175.2-62.2-39.5000112.8V922 I926 I1148 I1149 H1156 V1157 L1160 V1161V922-F1152 HydrophobicContact CG1-CD1 4.19Å; V922-F1152 HydrophobicContact CG1-CE1 3.45Å; V922-F1152 VanDerWaalsContact CG1-CE1 3.45Å; V922-F1152 HydrophobicContact CG1-CZ 3.91Å; I926-F1152 HydrophobicContact CD1-CD1 3.78Å; I926-F1152 HydrophobicContact CD1-CE1 4.01Å; I1148-F1152 HydrophobicContact CG2-CD2 4.15Å; I1148-F1152 HydrophobicContact CG2-CE2 3.52Å; I1148-F1152 HydrophobicContact CG2-CZ 3.78Å; I1148-F1152 PolarHBondContact O-N 2.95Å; I1149-F1152 WeakPolarHBondContact O-CB 3.48Å; I1149-F1152 PolarHBondContact O-N 2.67Å; I1149-F1152 VanDerWaalsContact O-N 3.08Å; F1152-H1156 PolarHBondContact O-N 2.98Å; F1152-V1157 HydrophobicContact CB-CB 4.31Å; F1152-V1157 HydrophobicContact CD1-CB 4.36Å; F1152-V1157 HydrophobicContact CD1-CG2 4.22Å; F1152-V1157 PolarHBondContact O-N 3.09Å; F1152-L1160 HydrophobicContact CD1-CD1 4.09Å; F1152-L1160 HydrophobicContact CD2-CB 4.38Å; F1152-L1160 HydrophobicContact CD2-CD1 4.13Å; F1152-L1160 HydrophobicContact CE1-CD1 3.76Å; F1152-L1160 HydrophobicContact CE2-CD1 3.8Å; F1152-L1160 HydrophobicContact CG-CD1 4.28Å; F1152-L1160 HydrophobicContact CZ-CD1 3.62Å; F1152-V1161 HydrophobicContact CB-CG2 3.35Å; F1152-V1161 HydrophobicContact CG-CG2 4.43Å
1153F90.2Very high86.6Confident90 Ų9051.1 Ų51.140%0.39527%0.265SS..Hα-helixtrans-63.9-45.8171-84-76.6000112.2I1149 L1150 V1151 F1155 H1156 V1161 W1166I1149-F1153 HydrophobicContact CG2-CD2 3.77Å; I1149-F1153 HydrophobicContact CG2-CE2 3.59Å; I1149-F1153 VanDerWaalsContact O-CD2 3.3Å; I1149-F1153 WeakPolarHBondContact O-CD2 3.16Å; I1149-F1153 PolarHBondContact O-N 2.83Å; L1150-F1153 WeakPolarHBondContact O-CB 3.17Å; L1150-F1153 PolarHBondContact O-N 3.27Å; V1151-F1153 VanDerWaalsContact C-N 3.3Å; V1151-F1153 PolarHBondContact O-N 3.15Å; F1153-F1155 VanDerWaalsContact C-N 3.32Å; F1153-F1155 PolarHBondContact O-N 2.88Å; F1153-H1156 PolarHBondContact O-N 3.17Å; F1153-V1161 HydrophobicContact CD1-CG1 3.26Å; F1153-V1161 HydrophobicContact CD2-CG1 3.95Å; F1153-V1161 HydrophobicContact CE1-CG1 3.06Å; F1153-V1161 HydrophobicContact CE2-CG1 3.78Å; F1153-V1161 HydrophobicContact CG-CG1 3.7Å; F1153-V1161 HydrophobicContact CZ-CG1 3.34Å; F1153-W1166 HydrophobicContact CE2-CB 4.38Å; F1153-W1166 HydrophobicContact CE2-CG 4.47Å; F1153-W1166 HydrophobicContact CZ-CB 4.36Å; F1153-W1166 HydrophobicContact CZ-CG 4.15Å
1154M88.5Confident86.1Confident146 Ų14650.3 Ų50.372%0.71927%0.266SS*.Hα-helixtrans-64.5-34.5-176.8-78.1-167.8-176.600113.4L1150 V1151L1150-M1154 WeakPolarHBondContact O-CB 3.5Å; L1150-M1154 WeakPolarHBondContact O-CG 3.45Å; L1150-M1154 PolarHBondContact O-N 2.81Å; V1151-M1154 PolarHBondContact O-N 3.41Å; V1151-M1154 VanDerWaalsContact O-N 3.17Å
1155F85.6Confident85.7Confident81 Ų8151.7 Ų51.736%0.35527%0.272SS..THydrogen-bonded Turntrans-95.110.8179-73.9-86000113.3V923 I926 L927 V1151 F1153 V1157V923-F1155 HydrophobicContact CG1-CE2 4.32Å; V923-F1155 HydrophobicContact CG1-CZ 4.15Å; V923-F1155 HydrophobicContact CG2-CE2 4.25Å; I926-F1155 HydrophobicContact CD1-CB 4.36Å; I926-F1155 HydrophobicContact CD1-CD2 4.22Å; I926-F1155 HydrophobicContact CD1-CG 4.45Å; I926-F1155 HydrophobicContact CG2-CB 3.58Å; I926-F1155 HydrophobicContact CG2-CD1 3.69Å; I926-F1155 HydrophobicContact CG2-CD2 4.26Å; I926-F1155 HydrophobicContact CG2-CE1 4.42Å; I926-F1155 HydrophobicContact CG2-CG 3.59Å; L927-F1155 HydrophobicContact CD2-CE1 4.12Å; V1151-F1155 HydrophobicContact CG1-CD2 3.8Å; V1151-F1155 HydrophobicContact CG1-CE2 4.03Å; V1151-F1155 WeakPolarHBondContact O-CD2 2.96Å; V1151-F1155 PolarHBondContact O-N 2.99Å; F1153-F1155 VanDerWaalsContact C-N 3.32Å; F1153-F1155 PolarHBondContact O-N 2.88Å; F1155-V1157 VanDerWaalsContact C-N 3.3Å; F1155-V1157 HydrophobicContact CB-CG2 4.14Å; F1155-V1157 PolarHBondContact O-N 3Å
1156H80.2Confident85.5Confident145 Ų14556 Ų5667%0.67129%0.288SS*.THydrogen-bonded Turntrans51.146.7179.7-60.6-76000113F1152 F1153 D1158F1152-H1156 PolarHBondContact O-N 2.98Å; F1153-H1156 PolarHBondContact O-N 3.17Å; H1156-D1158 PolarHBondContact O-N 3.32Å
1157V79.9Confident85.4Confident19 Ų1956.3 Ų56.312%0.11529%0.29CS..  trans-8073.8175.8-171.20000108.7I926 F1152 F1155 V1159 L1160 V1161I926-V1157 HydrophobicContact CD1-CG2 4.08Å; I926-V1157 HydrophobicContact CG1-CG2 4.27Å; I926-V1157 HydrophobicContact CG2-CG2 4.36Å; F1152-V1157 HydrophobicContact CB-CB 4.31Å; F1152-V1157 HydrophobicContact CD1-CB 4.36Å; F1152-V1157 HydrophobicContact CD1-CG2 4.22Å; F1152-V1157 PolarHBondContact O-N 3.09Å; F1155-V1157 VanDerWaalsContact C-N 3.3Å; F1155-V1157 HydrophobicContact CB-CG2 4.14Å; F1155-V1157 PolarHBondContact O-N 3Å; V1157-V1159 HydrophobicContact CG1-CB 4.48Å; V1157-V1159 PolarHBondContact O-N 2.73Å; V1157-V1159 VanDerWaalsContact O-N 3.08Å; V1157-L1160 HydrophobicContact CG1-CB 4.37Å; V1157-L1160 HydrophobicContact CG1-CD1 4.15Å; V1157-L1160 HydrophobicContact CG1-CG 4.21Å; V1157-L1160 PolarHBondContact O-N 3.31Å; V1157-V1161 PolarHBondContact O-N 3.47Å
1158D71.6Confident85.4Confident100 Ų10057.9 Ų57.954%0.53529%0.293SS..Hα-helixtrans-55.5-32.1-172.6-66.5-31.3000112.2H1156 L1160 V1161 G1162 R1165H1156-D1158 PolarHBondContact O-N 3.32Å; D1158-L1160 VanDerWaalsContact C-N 3.28Å; D1158-L1160 PolarHBondContact O-N 2.9Å; D1158-V1161 PolarHBondContact O-N 3.46Å; D1158-G1162 PolarHBondContact O-N 2.92Å; D1158-R1165 VanDerWaalsContact O-CZ 3.27Å; D1158-R1165 PolarHBondContact O-NH1 2.77Å
1159V76Confident85.3Confident8 Ų858.2 Ų58.25%0.04829%0.294CS..Hα-helixtrans-49.3-45.4174.6179.10000113.1W1078 V1157 R1165 Y1252 F1255W1078-V1159 HydrophobicContact CH2-CG2 3.75Å; W1078-V1159 HydrophobicContact CZ3-CG2 4.27Å; V1157-V1159 HydrophobicContact CG1-CB 4.48Å; V1157-V1159 PolarHBondContact O-N 2.73Å; V1157-V1159 VanDerWaalsContact O-N 3.08Å; V1159-R1165 PolarHBondContact O-NH1 2.95Å; V1159-Y1252 HydrophobicContact CB-CD2 4.12Å; V1159-Y1252 HydrophobicContact CB-CE2 3.92Å; V1159-Y1252 HydrophobicContact CG1-CD1 4.48Å; V1159-Y1252 HydrophobicContact CG1-CD2 3.36Å; V1159-Y1252 HydrophobicContact CG1-CE2 3.63Å; V1159-Y1252 HydrophobicContact CG1-CG 3.83Å; V1159-Y1252 HydrophobicContact CG2-CE2 3.97Å; V1159-F1255 HydrophobicContact CB-CD1 3.72Å; V1159-F1255 HydrophobicContact CB-CE1 4.06Å; V1159-F1255 HydrophobicContact CG1-CB 3.99Å; V1159-F1255 HydrophobicContact CG1-CD1 3.45Å; V1159-F1255 VanDerWaalsContact CG1-CD1 3.45Å; V1159-F1255 HydrophobicContact CG1-CE1 4.29Å; V1159-F1255 HydrophobicContact CG1-CG 3.96Å; V1159-F1255 HydrophobicContact CG2-CD1 3.66Å; V1159-F1255 HydrophobicContact CG2-CE1 3.72Å
1160L82.4Confident85.4Confident1 Ų159.3 Ų59.31%0.00530%0.301CS..Hα-helixtrans-98-16.2-173.7-64.1176.4000113I1088 F1152 V1157 D1158 R1165 W1166 I1169 Y1251 Y1252I1088-L1160 HydrophobicContact CG2-CD1 4.48Å; F1152-L1160 HydrophobicContact CD1-CD1 4.09Å; F1152-L1160 HydrophobicContact CD2-CB 4.38Å; F1152-L1160 HydrophobicContact CD2-CD1 4.13Å; F1152-L1160 HydrophobicContact CE1-CD1 3.76Å; F1152-L1160 HydrophobicContact CE2-CD1 3.8Å; F1152-L1160 HydrophobicContact CG-CD1 4.28Å; F1152-L1160 HydrophobicContact CZ-CD1 3.62Å; V1157-L1160 HydrophobicContact CG1-CB 4.37Å; V1157-L1160 HydrophobicContact CG1-CD1 4.15Å; V1157-L1160 HydrophobicContact CG1-CG 4.21Å; V1157-L1160 PolarHBondContact O-N 3.31Å; D1158-L1160 VanDerWaalsContact C-N 3.28Å; D1158-L1160 PolarHBondContact O-N 2.9Å; L1160-R1165 CarbonylContact O-C 3.58Å; L1160-W1166 PolarHBondContact O-N 2.8Å; L1160-I1169 HydrophobicContact CB-CG1 4.4Å; L1160-I1169 HydrophobicContact CD2-CD1 3.86Å; L1160-I1169 HydrophobicContact CD2-CG1 4.27Å; L1160-Y1251 HydrophobicContact CD2-CD1 4.07Å; L1160-Y1252 HydrophobicContact CD2-CD2 4.42Å; L1160-Y1252 HydrophobicContact CG-CD2 4.46Å
1161V82.8Confident85.5Confident13 Ų1358.3 Ų58.38%0.07930%0.295CS..Hα-helixtrans-121.2-28-166.9173.70000114.3F1152 F1153 V1157 D1158F1152-V1161 HydrophobicContact CB-CG2 3.35Å; F1152-V1161 HydrophobicContact CG-CG2 4.43Å; F1153-V1161 HydrophobicContact CD1-CG1 3.26Å; F1153-V1161 HydrophobicContact CD2-CG1 3.95Å; F1153-V1161 HydrophobicContact CE1-CG1 3.06Å; F1153-V1161 HydrophobicContact CE2-CG1 3.78Å; F1153-V1161 HydrophobicContact CG-CG1 3.7Å; F1153-V1161 HydrophobicContact CZ-CG1 3.34Å; V1157-V1161 PolarHBondContact O-N 3.47Å; D1158-V1161 PolarHBondContact O-N 3.46Å
1162G78.2Confident85.7Confident16 Ų1657.7 Ų57.717%0.16529%0.291CS..THydrogen-bonded Turntrans-61.6157.4-175.500000113.9D1158 S1164 R1165D1158-G1162 PolarHBondContact O-N 2.92Å; G1162-S1164 VanDerWaalsContact C-N 3.33Å; G1162-S1164 PolarHBondContact O-N 3.36Å; G1162-S1164 VanDerWaalsContact O-N 3.08Å; G1162-R1165 WeakPolarHBondContact O-CB 3.23Å; G1162-R1165 VanDerWaalsContact O-CG 3.23Å; G1162-R1165 WeakPolarHBondContact O-CG 3.4Å; G1162-R1165 PolarHBondContact O-N 3.12Å; G1162-R1165 PolarHBondContact O-NE 3.21Å
1163D77.9Confident86Confident140 Ų14057.6 Ų57.675%0.74929%0.291SS*.THydrogen-bonded Turntrans45.446.6168.3-44.6-52.5000115.7R1165D1163-R1165 PolarHBondContact O-N 3.04Å; D1163-R1165 IonicContact OD2-CZ 3.53Å; D1163-R1165 IonicContact OD2-NE 3.48Å; D1163-R1165 IonicContact OD2-NH2 3.45Å; D1163-R1165 PolarHBondContact OD2-NH2 3.29Å
1164S82.8Confident86.2Confident73 Ų7355.8 Ų55.851%0.5129%0.285SS..THydrogen-bonded Turntrans67.36.4-177.8-49.40000116.4G1162 W1166 L1167G1162-S1164 VanDerWaalsContact C-N 3.33Å; G1162-S1164 PolarHBondContact O-N 3.36Å; G1162-S1164 VanDerWaalsContact O-N 3.08Å; S1164-W1166 PolarHBondContact O-N 3.11Å; S1164-L1167 VanDerWaalsContact O-CB 3.3Å; S1164-L1167 WeakPolarHBondContact O-CB 3.46Å; S1164-L1167 PolarHBondContact O-N 2.71Å
1165R85Confident86.6Confident30 Ų3050.4 Ų50.411%0.11326%0.259CS..THydrogen-bonded Turntrans-63.1-25.7177.6-71.5174.4-87.2162.5-16.1113.8D1158 V1159 L1160 G1162 D1163 L1167 H1168 I1169 Y1251D1158-R1165 VanDerWaalsContact O-CZ 3.27Å; D1158-R1165 PolarHBondContact O-NH1 2.77Å; V1159-R1165 PolarHBondContact O-NH1 2.95Å; L1160-R1165 CarbonylContact O-C 3.58Å; G1162-R1165 WeakPolarHBondContact O-CB 3.23Å; G1162-R1165 VanDerWaalsContact O-CG 3.23Å; G1162-R1165 WeakPolarHBondContact O-CG 3.4Å; G1162-R1165 PolarHBondContact O-N 3.12Å; G1162-R1165 PolarHBondContact O-NE 3.21Å; D1163-R1165 PolarHBondContact O-N 3.04Å; D1163-R1165 IonicContact OD2-CZ 3.53Å; D1163-R1165 IonicContact OD2-NE 3.48Å; D1163-R1165 IonicContact OD2-NH2 3.45Å; D1163-R1165 PolarHBondContact OD2-NH2 3.29Å; R1165-L1167 PolarHBondContact O-N 3.26Å; R1165-L1167 VanDerWaalsContact O-N 3.09Å; R1165-H1168 WeakPolarHBondContact O-CB 3.36Å; R1165-H1168 PolarHBondContact O-N 3.29Å; R1165-I1169 PolarHBondContact O-N 3.38Å; R1165-Y1251 HydrophobicContact CB-CE1 4.42Å; R1165-Y1251 WeakPolarHBondContact CB-OH 3.06Å; R1165-Y1251 VanDerWaalsContact CG-OH 3.27Å; R1165-Y1251 WeakPolarHBondContact CG-OH 3.39Å
1166W88.8Confident87.2Confident91 Ų9146.6 Ų46.635%0.34524%0.242SC..Hα-helixtrans-55.2-26.4172.167.4-92000112.5F1153 L1160 S1164 L1170F1153-W1166 HydrophobicContact CE2-CB 4.38Å; F1153-W1166 HydrophobicContact CE2-CG 4.47Å; F1153-W1166 HydrophobicContact CZ-CB 4.36Å; F1153-W1166 HydrophobicContact CZ-CG 4.15Å; L1160-W1166 PolarHBondContact O-N 2.8Å; S1164-W1166 PolarHBondContact O-N 3.11Å; W1166-L1170 HydrophobicContact CE3-CD2 4.43Å; W1166-L1170 HydrophobicContact CZ3-CD2 3.97Å; W1166-L1170 VanDerWaalsContact O-CB 3.25Å; W1166-L1170 WeakPolarHBondContact O-CB 3.38Å; W1166-L1170 PolarHBondContact O-N 3.1Å
1167L91.9Very high87.9Confident83 Ų8339.7 Ų39.744%0.43521%0.21SC..Hα-helixtrans-66.9-39.5174.5-69.2171.2000112.3S1164 R1165 L1170 L1171S1164-L1167 VanDerWaalsContact O-CB 3.3Å; S1164-L1167 WeakPolarHBondContact O-CB 3.46Å; S1164-L1167 PolarHBondContact O-N 2.71Å; R1165-L1167 PolarHBondContact O-N 3.26Å; R1165-L1167 VanDerWaalsContact O-N 3.09Å; L1167-L1170 PolarHBondContact O-N 2.93Å; L1167-L1171 WeakPolarHBondContact O-CB 3.37Å; L1167-L1171 PolarHBondContact O-N 3.43Å
1168H91.9Very high88.7Confident56 Ų5643.1 Ų43.126%0.25922%0.222SC..Hα-helixtrans-66.8-42176.2-57.2132.9000111.3R1165 L1171 L1172 Y1251R1165-H1168 WeakPolarHBondContact O-CB 3.36Å; R1165-H1168 PolarHBondContact O-N 3.29Å; H1168-L1171 PolarHBondContact O-N 3.37Å; H1168-L1172 WeakPolarHBondContact O-CB 3.41Å; H1168-L1172 PolarHBondContact O-N 3.42Å; H1168-Y1251 HydrophobicContact CB-CE2 3.72Å; H1168-Y1251 AromaticContact ND1-CZ 3.95Å; H1168-Y1251 PolarHBondContact ND1-OH 3.02Å
1169I91.9Very high89.8Confident7 Ų738.4 Ų38.44%0.03620%0.196CC..Hα-helixtrans-65.3-41.6175.5-59.4-56.1000110.8L1160 R1165 L1171 L1172 L1173 Y1251L1160-I1169 HydrophobicContact CB-CG1 4.4Å; L1160-I1169 HydrophobicContact CD2-CD1 3.86Å; L1160-I1169 HydrophobicContact CD2-CG1 4.27Å; R1165-I1169 PolarHBondContact O-N 3.38Å; I1169-L1171 PolarHBondContact O-N 3.18Å; I1169-L1172 PolarHBondContact O-N 3.27Å; I1169-L1173 HydrophobicContact CG2-CD1 4.2Å; I1169-L1173 WeakPolarHBondContact O-CG 3.28Å; I1169-L1173 PolarHBondContact O-N 3.22Å; I1169-Y1251 HydrophobicContact CD1-CD1 3.84Å; I1169-Y1251 HydrophobicContact CD1-CE1 4.01Å; I1169-Y1251 HydrophobicContact CD1-CG 4.13Å; I1169-Y1251 HydrophobicContact CG1-CE1 4.42Å
1170L93.9Very high90.7Very high37 Ų3738 Ų3819%0.19419%0.194CC..Hα-helixtrans-59.8-46173.3179.463.1000111.1I1149 W1166 L1167 L1172 L1173 L1174I1149-L1170 HydrophobicContact CD1-CB 3.88Å; I1149-L1170 HydrophobicContact CD1-CD1 3.73Å; I1149-L1170 HydrophobicContact CD1-CG 4.37Å; W1166-L1170 HydrophobicContact CE3-CD2 4.43Å; W1166-L1170 HydrophobicContact CZ3-CD2 3.97Å; W1166-L1170 VanDerWaalsContact O-CB 3.25Å; W1166-L1170 WeakPolarHBondContact O-CB 3.38Å; W1166-L1170 PolarHBondContact O-N 3.1Å; L1167-L1170 PolarHBondContact O-N 2.93Å; L1170-L1172 VanDerWaalsContact C-N 3.35Å; L1170-L1172 PolarHBondContact O-N 2.88Å; L1170-L1173 PolarHBondContact O-N 2.8Å; L1170-L1174 HydrophobicContact CD1-CD1 4.27Å; L1170-L1174 HydrophobicContact CD1-CG 4.19Å; L1170-L1174 HydrophobicContact CG-CD1 3.96Å; L1170-L1174 HydrophobicContact CG-CG 4.32Å; L1170-L1174 WeakPolarHBondContact O-CB 3.46Å; L1170-L1174 WeakPolarHBondContact O-CG 3.43Å; L1170-L1174 PolarHBondContact O-N 2.88Å
1171L95Very high91.3Very high69 Ų6938 Ų3836%0.36119%0.194SC..Hα-helixtrans-59.7-44.1176.9179.262.5000111.9L1167 H1168 I1169 L1174 L1175 L1287 L1298L1167-L1171 WeakPolarHBondContact O-CB 3.37Å; L1167-L1171 PolarHBondContact O-N 3.43Å; H1168-L1171 PolarHBondContact O-N 3.37Å; I1169-L1171 PolarHBondContact O-N 3.18Å; L1171-L1174 PolarHBondContact O-N 2.93Å; L1171-L1175 HydrophobicContact CD1-CD1 4.14Å; L1171-L1175 HydrophobicContact CD1-CG 4.32Å; L1171-L1175 HydrophobicContact CG-CD1 4.25Å; L1171-L1175 WeakPolarHBondContact O-CG 3.27Å; L1171-L1175 PolarHBondContact O-N 2.87Å; L1171-L1287 HydrophobicContact CD2-CD2 4.42Å; L1171-L1298 HydrophobicContact CD2-CD1 4.08Å
1172L95.2Very high91.9Very high1 Ų137.4 Ų37.41%0.00519%0.19CC..Hα-helixtrans-59.1-48.1175.6176.163.5000111.6H1168 I1169 L1170 L1175 Y1176 L1244 A1247 V1248 L1298 L1301H1168-L1172 WeakPolarHBondContact O-CB 3.41Å; H1168-L1172 PolarHBondContact O-N 3.42Å; I1169-L1172 PolarHBondContact O-N 3.27Å; L1170-L1172 VanDerWaalsContact C-N 3.35Å; L1170-L1172 PolarHBondContact O-N 2.88Å; L1172-L1175 PolarHBondContact O-N 3Å; L1172-Y1176 WeakPolarHBondContact O-CB 3.19Å; L1172-Y1176 PolarHBondContact O-N 3.44Å; L1172-L1244 HydrophobicContact CD2-CD1 4.27Å; L1172-L1244 HydrophobicContact CG-CD1 4.23Å; L1172-A1247 HydrophobicContact CD1-CB 3.68Å; L1172-A1247 HydrophobicContact CD2-CB 3.76Å; L1172-A1247 HydrophobicContact CG-CB 4.4Å; L1172-V1248 HydrophobicContact CD2-CG2 3.7Å; L1172-L1298 HydrophobicContact CB-CD2 4.01Å; L1172-L1298 HydrophobicContact CD1-CD2 3.75Å; L1172-L1301 HydrophobicContact CD1-CD1 3.74Å
1173L95.2Very high92.7Very high3 Ų337 Ų372%0.01618%0.184CC..Hα-helixtrans-64.6-42.8178.1-67.6175.7000111.5F1096 Y1141 A1145 I1149 I1169 L1170 L1175 Y1176 G1177 L1244F1096-L1173 HydrophobicContact CE2-CD2 3.83Å; F1096-L1173 HydrophobicContact CZ-CD2 3.79Å; Y1141-L1173 VanDerWaalsContact CE1-O 3.24Å; Y1141-L1173 WeakPolarHBondContact CE1-O 3.5Å; Y1141-L1173 PolarHBondContact OH-O 2.69Å; A1145-L1173 HydrophobicContact CB-CB 4.13Å; A1145-L1173 HydrophobicContact CB-CD1 4.07Å; I1149-L1173 HydrophobicContact CD1-CD1 4.34Å; I1149-L1173 HydrophobicContact CG1-CD1 4.28Å; I1169-L1173 HydrophobicContact CG2-CD1 4.2Å; I1169-L1173 WeakPolarHBondContact O-CG 3.28Å; I1169-L1173 PolarHBondContact O-N 3.22Å; L1170-L1173 PolarHBondContact O-N 2.8Å; L1173-L1175 PolarHBondContact O-N 2.94Å; L1173-Y1176 PolarHBondContact O-N 3.38Å; L1173-G1177 PolarHBondContact O-N 3.36Å; L1173-L1244 HydrophobicContact CD2-CD1 4.03Å
1174L96.2Very high93.5Very high52 Ų5230.3 Ų30.327%0.27215%0.149SC..Hα-helixtrans-59.5-46.1176.6-72.2172000112F1138 L1142 L1170 L1171 Y1176 G1177 W1178F1138-L1174 HydrophobicContact CE1-CD2 3.96Å; F1138-L1174 HydrophobicContact CZ-CD2 3.72Å; L1142-L1174 HydrophobicContact CD1-CD2 3.8Å; L1170-L1174 HydrophobicContact CD1-CD1 4.27Å; L1170-L1174 HydrophobicContact CD1-CG 4.19Å; L1170-L1174 HydrophobicContact CG-CD1 3.96Å; L1170-L1174 HydrophobicContact CG-CG 4.32Å; L1170-L1174 WeakPolarHBondContact O-CB 3.46Å; L1170-L1174 WeakPolarHBondContact O-CG 3.43Å; L1170-L1174 PolarHBondContact O-N 2.88Å; L1171-L1174 PolarHBondContact O-N 2.93Å; L1174-Y1176 VanDerWaalsContact C-N 3.34Å; L1174-G1177 PolarHBondContact O-N 2.63Å; L1174-W1178 WeakPolarHBondContact O-CB 3.45Å; L1174-W1178 PolarHBondContact O-N 3.23Å
1175L96.9Very high94.1Very high34 Ų3427.1 Ų27.118%0.17813%0.125CC..Hα-helixtrans-68.8-33177.9-73.2175.1000112.4L1171 L1172 L1173 W1178 A1179 L1298 L1301L1171-L1175 HydrophobicContact CD1-CD1 4.14Å; L1171-L1175 HydrophobicContact CD1-CG 4.32Å; L1171-L1175 HydrophobicContact CG-CD1 4.25Å; L1171-L1175 WeakPolarHBondContact O-CG 3.27Å; L1171-L1175 PolarHBondContact O-N 2.87Å; L1172-L1175 PolarHBondContact O-N 3Å; L1173-L1175 PolarHBondContact O-N 2.94Å; L1175-W1178 WeakPolarHBondContact O-CB 3.29Å; L1175-W1178 PolarHBondContact O-N 2.83Å; L1175-A1179 WeakPolarHBondContact O-CB 3.25Å; L1175-A1179 PolarHBondContact O-N 2.76Å; L1175-L1298 HydrophobicContact CD1-CB 3.8Å; L1175-L1298 HydrophobicContact CD1-CD2 3.93Å; L1175-L1298 HydrophobicContact CD1-CG 4.4Å; L1175-L1301 HydrophobicContact CB-CB 3.98Å; L1175-L1301 HydrophobicContact CB-CD1 4.33Å
1176Y96.6Very high94.5Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-64.9-43.2172.5178.2-104.5000112.1F1096 V1100 Y1141 L1172 L1173 L1174 A1179 T1180 N1241 L1244 L1301F1096-Y1176 HydrophobicContact CB-CE1 3.92Å; F1096-Y1176 HydrophobicContact CD1-CD1 4.35Å; F1096-Y1176 AromaticContact CD1-CE1 3.78Å; F1096-Y1176 HydrophobicContact CD1-CE1 3.78Å; F1096-Y1176 HydrophobicContact CE1-CE1 4.48Å; F1096-Y1176 AromaticContact CG-CE1 3.89Å; F1096-Y1176 HydrophobicContact CG-CE1 3.89Å; V1100-Y1176 HydrophobicContact CG2-CE1 3.77Å; Y1141-Y1176 HydrophobicContact CE2-CD1 4.11Å; Y1141-Y1176 HydrophobicContact CE2-CE1 4.46Å; L1172-Y1176 WeakPolarHBondContact O-CB 3.19Å; L1172-Y1176 PolarHBondContact O-N 3.44Å; L1173-Y1176 PolarHBondContact O-N 3.38Å; L1174-Y1176 VanDerWaalsContact C-N 3.34Å; Y1176-A1179 PolarHBondContact O-N 3.38Å; Y1176-T1180 HydrophobicContact CD2-CG2 3.78Å; Y1176-T1180 HydrophobicContact CE1-CG2 4.17Å; Y1176-T1180 HydrophobicContact CE2-CG2 3.36Å; Y1176-T1180 HydrophobicContact CG-CG2 4.35Å; Y1176-T1180 WeakPolarHBondContact O-CB 3.27Å; Y1176-T1180 WeakPolarHBondContact O-CG2 3.26Å; Y1176-T1180 PolarHBondContact O-N 2.93Å; Y1176-T1180 PolarHBondContact O-OG1 3.23Å; Y1176-N1241 WeakPolarHBondContact CE2-OD1 3.47Å; Y1176-N1241 PolarHBondContact OH-OD1 2.96Å; Y1176-L1244 HydrophobicContact CD1-CD2 4.02Å; Y1176-L1244 HydrophobicContact CD2-CB 3.81Å; Y1176-L1244 HydrophobicContact CD2-CD2 4.22Å; Y1176-L1244 HydrophobicContact CD2-CG 4.48Å; Y1176-L1244 HydrophobicContact CE1-CD2 3.83Å; Y1176-L1244 HydrophobicContact CE2-CB 3.96Å; Y1176-L1244 HydrophobicContact CE2-CD2 4.05Å; Y1176-L1244 HydrophobicContact CG-CB 4.32Å; Y1176-L1244 HydrophobicContact CG-CD1 4.45Å; Y1176-L1244 HydrophobicContact CG-CD2 4.19Å; Y1176-L1301 HydrophobicContact CD2-CD2 4.21Å
1177G95.1Very high94.6Very high0 Ų023.6 Ų23.60%012%0.115CC..Hα-helixtrans-60.8-42.7171.600000112.7L1173 L1174 A1179 T1180 I1181L1173-G1177 PolarHBondContact O-N 3.36Å; L1174-G1177 PolarHBondContact O-N 2.63Å; G1177-A1179 VanDerWaalsContact C-N 3.34Å; G1177-A1179 PolarHBondContact O-N 2.88Å; G1177-T1180 PolarHBondContact O-N 3.35Å; G1177-I1181 WeakPolarHBondContact O-CB 3.4Å; G1177-I1181 WeakPolarHBondContact O-CG1 3.47Å; G1177-I1181 PolarHBondContact O-N 3.34Å; G1177-I1181 VanDerWaalsContact O-N 3.15Å
1178W96.7Very high94.4Very high92 Ų9219.8 Ų19.835%0.34810%0.095SC..Hα-helixtrans-60.2-39175.2171.1-102.6000113F1134 L1174 L1175 P1182 S1302 G1305 I1306F1134-W1178 HydrophobicContact CE1-CE3 4.18Å; F1134-W1178 HydrophobicContact CE1-CZ3 4.12Å; F1134-W1178 HydrophobicContact CE2-CE3 4.33Å; F1134-W1178 AromaticContact CZ-CE3 3.57Å; F1134-W1178 HydrophobicContact CZ-CE3 3.57Å; F1134-W1178 AromaticContact CZ-CZ3 3.88Å; F1134-W1178 HydrophobicContact CZ-CZ3 3.88Å; L1174-W1178 WeakPolarHBondContact O-CB 3.45Å; L1174-W1178 PolarHBondContact O-N 3.23Å; L1175-W1178 WeakPolarHBondContact O-CB 3.29Å; L1175-W1178 PolarHBondContact O-N 2.83Å; W1178-P1182 WeakPolarHBondContact O-CD 3.09Å; W1178-P1182 VanDerWaalsContact O-CG 3.27Å; W1178-P1182 WeakPolarHBondContact O-CG 3.29Å; W1178-S1302 PolarHBondContact NE1-O 2.98Å; W1178-G1305 WeakPolarHBondContact O-CA 3.38Å; W1178-I1306 HydrophobicContact CZ2-CG1 4.47Å
1179A96.3Very high94.1Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-74.3-4617800000112.8L1175 Y1176 G1177 M1183 P1240 L1301 H1304L1175-A1179 WeakPolarHBondContact O-CB 3.25Å; L1175-A1179 PolarHBondContact O-N 2.76Å; Y1176-A1179 PolarHBondContact O-N 3.38Å; G1177-A1179 VanDerWaalsContact C-N 3.34Å; G1177-A1179 PolarHBondContact O-N 2.88Å; A1179-M1183 PolarHBondContact O-N 2.92Å; A1179-P1240 HydrophobicContact CB-CB 4.05Å; A1179-L1301 HydrophobicContact CB-CD2 3.93Å; A1179-L1301 WeakPolarHBondContact CB-O 3.22Å; A1179-H1304 HydrophobicContact CB-CB 3.82Å
1180T94.4Very high93.7Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-85.6-31.7-165.155.50000114.4V1100 Y1176 G1177 M1183 M1184 P1240V1100-T1180 HydrophobicContact CG1-CG2 4.28Å; V1100-T1180 HydrophobicContact CG2-CG2 4.45Å; Y1176-T1180 HydrophobicContact CD2-CG2 3.78Å; Y1176-T1180 HydrophobicContact CE1-CG2 4.17Å; Y1176-T1180 HydrophobicContact CE2-CG2 3.36Å; Y1176-T1180 HydrophobicContact CG-CG2 4.35Å; Y1176-T1180 WeakPolarHBondContact O-CB 3.27Å; Y1176-T1180 WeakPolarHBondContact O-CG2 3.26Å; Y1176-T1180 PolarHBondContact O-N 2.93Å; Y1176-T1180 PolarHBondContact O-OG1 3.23Å; G1177-T1180 PolarHBondContact O-N 3.35Å; T1180-M1183 HydrophobicContact CG2-CE 4.14Å; T1180-M1183 WeakPolarHBondContact O-CB 3.32Å; T1180-M1183 PolarHBondContact O-N 3.4Å; T1180-M1184 WeakPolarHBondContact O-CG 3.49Å; T1180-M1184 PolarHBondContact O-N 3.31Å; T1180-P1240 HydrophobicContact CG2-CB 4.09Å; T1180-P1240 HydrophobicContact CG2-CG 4.05Å
1181I95.3Very high93.1Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-62.8-50.1177.7-65.2169000110.8F1103 F1134 D1137 F1138 G1177 M1183 M1184 Y1185F1103-I1181 HydrophobicContact CD2-CG1 4.01Å; F1103-I1181 HydrophobicContact CE2-CG1 4.15Å; F1134-I1181 HydrophobicContact CD2-CB 4.32Å; F1134-I1181 HydrophobicContact CD2-CG2 3.8Å; F1134-I1181 HydrophobicContact CE2-CB 4.17Å; F1134-I1181 HydrophobicContact CE2-CG2 4.16Å; D1137-I1181 HydrophobicContact CB-CD1 4.29Å; D1137-I1181 HydrophobicContact CB-CG2 4.19Å; F1138-I1181 HydrophobicContact CB-CD1 4.16Å; F1138-I1181 HydrophobicContact CD2-CD1 4.06Å; G1177-I1181 WeakPolarHBondContact O-CB 3.4Å; G1177-I1181 WeakPolarHBondContact O-CG1 3.47Å; G1177-I1181 PolarHBondContact O-N 3.34Å; G1177-I1181 VanDerWaalsContact O-N 3.15Å; I1181-M1183 VanDerWaalsContact C-N 3.31Å; I1181-M1183 PolarHBondContact O-N 3.26Å; I1181-M1184 PolarHBondContact O-N 3.47Å; I1181-M1184 VanDerWaalsContact O-N 3.14Å; I1181-Y1185 HydrophobicContact CG2-CD2 4.39Å; I1181-Y1185 HydrophobicContact CG2-CE1 3.91Å; I1181-Y1185 HydrophobicContact CG2-CE2 3.76Å; I1181-Y1185 VanDerWaalsContact CG2-CZ 3.49Å; I1181-Y1185 PolarHBondContact O-N 3.19Å
1182P95.3Very high92.1Very high2 Ų227 Ų271%0.01314%0.138CC..Hα-helixtrans-62.3-35.8173.9-23.636.4000113F1134 W1178 M1184 Y1185 F1186F1134-P1182 HydrophobicContact CD2-CG 4.42Å; F1134-P1182 HydrophobicContact CE2-CG 4.14Å; W1178-P1182 WeakPolarHBondContact O-CD 3.09Å; W1178-P1182 VanDerWaalsContact O-CG 3.27Å; W1178-P1182 WeakPolarHBondContact O-CG 3.29Å; P1182-M1184 VanDerWaalsContact C-N 3.29Å; P1182-M1184 PolarHBondContact O-N 3.37Å; P1182-Y1185 PolarHBondContact O-N 3.34Å; P1182-F1186 PolarHBondContact O-N 3.03Å
1183M95.1Very high91Very high7 Ų728.2 Ų28.23%0.03415%0.147CC..Hα-helixtrans-57-43.9173-175.3177.171.200111.3A1179 T1180 I1181 F1186 A1187 N1205 P1240 Y1308A1179-M1183 PolarHBondContact O-N 2.92Å; T1180-M1183 HydrophobicContact CG2-CE 4.14Å; T1180-M1183 WeakPolarHBondContact O-CB 3.32Å; T1180-M1183 PolarHBondContact O-N 3.4Å; I1181-M1183 VanDerWaalsContact C-N 3.31Å; I1181-M1183 PolarHBondContact O-N 3.26Å; M1183-F1186 PolarHBondContact O-N 3.02Å; M1183-A1187 VanDerWaalsContact O-CB 3.29Å; M1183-A1187 WeakPolarHBondContact O-CB 3.3Å; M1183-A1187 PolarHBondContact O-N 3.3Å; M1183-N1205 WeakPolarHBondContact CE-OD1 3.48Å; M1183-P1240 HydrophobicContact CE-CG 3.8Å; M1183-P1240 HydrophobicContact SD-CG 3.55Å; M1183-P1240 VanDerWaalsContact SD-CG 3.55Å; M1183-Y1308 HydrophobicContact CB-CD1 4.33Å; M1183-Y1308 HydrophobicContact CB-CD2 3.59Å; M1183-Y1308 HydrophobicContact CB-CE1 4.44Å; M1183-Y1308 HydrophobicContact CB-CE2 3.7Å; M1183-Y1308 HydrophobicContact CB-CG 3.93Å; M1183-Y1308 HydrophobicContact CG-CD1 4.35Å; M1183-Y1308 HydrophobicContact CG-CD2 4.08Å; M1183-Y1308 HydrophobicContact CG-CE1 4.02Å; M1183-Y1308 HydrophobicContact CG-CE2 3.7Å; M1183-Y1308 HydrophobicContact CG-CG 4.4Å; M1183-Y1308 HydrophobicContact SD-CE2 3.83Å
1184M94.8Very high89.9Confident0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-68.1-36177-68-57.2108.800112.9V1100 L1104 T1180 I1181 P1182 A1187 A1188 M1201 N1205V1100-M1184 HydrophobicContact CG1-CE 3.91Å; V1100-M1184 HydrophobicContact CG1-CG 3.57Å; V1100-M1184 HydrophobicContact CG1-SD 3.95Å; V1100-M1184 WeakPolarHBondContact O-CG 3.5Å; L1104-M1184 HydrophobicContact CB-CB 4.38Å; T1180-M1184 WeakPolarHBondContact O-CG 3.49Å; T1180-M1184 PolarHBondContact O-N 3.31Å; I1181-M1184 PolarHBondContact O-N 3.47Å; I1181-M1184 VanDerWaalsContact O-N 3.14Å; P1182-M1184 VanDerWaalsContact C-N 3.29Å; P1182-M1184 PolarHBondContact O-N 3.37Å; M1184-A1187 PolarHBondContact O-N 2.77Å; M1184-A1188 WeakPolarHBondContact O-CB 3.35Å; M1184-A1188 PolarHBondContact O-N 3.48Å; M1184-M1201 HydrophobicContact CE-CE 3.47Å; M1184-M1201 VanDerWaalsContact CE-CE 3.47Å; M1184-M1201 HydrophobicContact SD-CB 4.05Å; M1184-M1201 HydrophobicContact SD-CE 4.12Å; M1184-M1201 HydrophobicContact SD-CG 4.29Å; M1184-N1205 WeakPolarHBondContact CE-ND2 3.16Å
1185Y94.4Very high88.4Confident5 Ų526.8 Ų26.82%0.0214%0.143CC..Hα-helixtrans-66.5-42.4175.3-66.2-9.6000112.1I1107 W1130 N1133 F1134 D1137 I1181 P1182 A1188 L1312I1107-Y1185 HydrophobicContact CD1-CE1 4.28Å; I1107-Y1185 HydrophobicContact CG1-CD1 3.82Å; I1107-Y1185 HydrophobicContact CG1-CE1 3.81Å; W1130-Y1185 AromaticContact CE3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CE3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CE3-CE2 4.23Å; W1130-Y1185 HydrophobicContact CE3-CG 4.42Å; W1130-Y1185 AromaticContact CZ3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CZ3-CD2 3.89Å; W1130-Y1185 HydrophobicContact CZ3-CE2 4.45Å; W1130-Y1185 AromaticContact CZ3-CG 3.95Å; W1130-Y1185 HydrophobicContact CZ3-CG 3.95Å; N1133-Y1185 PolarHBondContact O-OH 3.43Å; N1133-Y1185 VanDerWaalsContact O-OH 3.14Å; F1134-Y1185 WeakPolarHBondContact CA-OH 3.27Å; F1134-Y1185 HydrophobicContact CB-CE2 4.27Å; F1134-Y1185 PolarHBondContact N-OH 2.96Å; D1137-Y1185 VanDerWaalsContact CG-OH 3.28Å; D1137-Y1185 WeakPolarHBondContact OD2-CE1 3.18Å; D1137-Y1185 PolarHBondContact OD2-OH 3.47Å; I1181-Y1185 HydrophobicContact CG2-CD2 4.39Å; I1181-Y1185 HydrophobicContact CG2-CE1 3.91Å; I1181-Y1185 HydrophobicContact CG2-CE2 3.76Å; I1181-Y1185 VanDerWaalsContact CG2-CZ 3.49Å; I1181-Y1185 PolarHBondContact O-N 3.19Å; P1182-Y1185 PolarHBondContact O-N 3.34Å; Y1185-A1188 VanDerWaalsContact O-CB 3.28Å; Y1185-A1188 WeakPolarHBondContact O-CB 3.18Å; Y1185-A1188 PolarHBondContact O-N 2.93Å; Y1185-L1312 HydrophobicContact CD2-CD2 3.9Å; Y1185-L1312 HydrophobicContact CG-CD2 4.33Å
1186F93.2Very high87Confident39 Ų3927 Ų2717%0.17114%0.144CC..Hα-helixtrans-63.6-45.5173175.7-109.8000110.9P1182 M1183 A1188 V1189 F1190 Y1308 L1311 T1315P1182-F1186 PolarHBondContact O-N 3.03Å; M1183-F1186 PolarHBondContact O-N 3.02Å; F1186-A1188 PolarHBondContact O-N 3.37Å; F1186-V1189 WeakPolarHBondContact O-CB 3.16Å; F1186-V1189 WeakPolarHBondContact O-CG2 3.26Å; F1186-V1189 PolarHBondContact O-N 3.47Å; F1186-V1189 VanDerWaalsContact O-N 3.07Å; F1186-F1190 HydrophobicContact CD1-CE2 4.15Å; F1186-F1190 AromaticContact CE1-CE2 3.67Å; F1186-F1190 HydrophobicContact CE1-CE2 3.67Å; F1186-F1190 HydrophobicContact CE1-CZ 4.05Å; F1186-F1190 HydrophobicContact CE2-CE2 4.4Å; F1186-F1190 HydrophobicContact CE2-CZ 4.43Å; F1186-F1190 AromaticContact CZ-CE2 3.81Å; F1186-F1190 HydrophobicContact CZ-CE2 3.81Å; F1186-F1190 AromaticContact CZ-CZ 3.78Å; F1186-F1190 HydrophobicContact CZ-CZ 3.78Å; F1186-Y1308 HydrophobicContact CD1-CD1 4.25Å; F1186-L1311 HydrophobicContact CD2-CB 3.77Å; F1186-L1311 HydrophobicContact CE1-CD1 4.36Å; F1186-L1311 HydrophobicContact CE2-CB 3.81Å; F1186-L1311 HydrophobicContact CG-CB 4.3Å; F1186-L1311 HydrophobicContact CZ-CB 4.37Å; F1186-L1311 HydrophobicContact CZ-CD1 4.3Å; F1186-T1315 HydrophobicContact CD2-CG2 4.14Å; F1186-T1315 HydrophobicContact CE2-CG2 3.7Å
1187A91.1Very high86.1Confident8 Ų827 Ų277%0.06614%0.144CC..Hα-helixtrans-59.6-33.8176.600000112.7L1104 M1183 M1184 V1189 F1190 F1191 M1201L1104-A1187 HydrophobicContact CD1-CB 4.14Å; M1183-A1187 VanDerWaalsContact O-CB 3.29Å; M1183-A1187 WeakPolarHBondContact O-CB 3.3Å; M1183-A1187 PolarHBondContact O-N 3.3Å; M1184-A1187 PolarHBondContact O-N 2.77Å; A1187-V1189 PolarHBondContact O-N 3.19Å; A1187-V1189 VanDerWaalsContact O-N 3.09Å; A1187-F1190 PolarHBondContact O-N 3.01Å; A1187-F1190 VanDerWaalsContact O-N 3.08Å; A1187-F1191 HydrophobicContact CB-CE2 4.43Å; A1187-F1191 WeakPolarHBondContact O-CD2 3.37Å; A1187-F1191 VanDerWaalsContact O-CE2 3.31Å; A1187-F1191 WeakPolarHBondContact O-CE2 3.5Å; A1187-M1201 HydrophobicContact CB-CE 3.77Å; A1187-M1201 HydrophobicContact CB-CG 4.1Å; A1187-M1201 HydrophobicContact CB-SD 3.73Å
1188A88.9Confident85.5Confident3 Ų328.4 Ų28.43%0.02515%0.149CC..Hα-helixtrans-55.3-29.417700000112.3L1104 I1107 V1108 R1111 M1184 Y1185 F1186 F1190 F1191L1104-A1188 HydrophobicContact CD1-CB 4.4Å; L1104-A1188 HydrophobicContact CG-CB 4.02Å; I1107-A1188 HydrophobicContact CB-CB 4.34Å; I1107-A1188 HydrophobicContact CG2-CB 3.91Å; V1108-A1188 HydrophobicContact CG2-CB 3.69Å; R1111-A1188 PolarHBondContact NH2-O 2.99Å; M1184-A1188 WeakPolarHBondContact O-CB 3.35Å; M1184-A1188 PolarHBondContact O-N 3.48Å; Y1185-A1188 VanDerWaalsContact O-CB 3.28Å; Y1185-A1188 WeakPolarHBondContact O-CB 3.18Å; Y1185-A1188 PolarHBondContact O-N 2.93Å; F1186-A1188 PolarHBondContact O-N 3.37Å; A1188-F1190 PolarHBondContact O-N 3.12Å; A1188-F1191 PolarHBondContact O-N 3.09Å
1189V85.6Confident84.4Confident53 Ų5324.2 Ų24.232%0.32113%0.134SC..THydrogen-bonded Turntrans-59-37.2179.5-179.20000111.5R1111 F1186 A1187 F1191R1111-V1189 PolarHBondContact NH1-O 3.37Å; R1111-V1189 PolarHBondContact NH2-O 3.2Å; R1111-V1189 VanDerWaalsContact NH2-O 3.14Å; F1186-V1189 WeakPolarHBondContact O-CB 3.16Å; F1186-V1189 WeakPolarHBondContact O-CG2 3.26Å; F1186-V1189 PolarHBondContact O-N 3.47Å; F1186-V1189 VanDerWaalsContact O-N 3.07Å; A1187-V1189 PolarHBondContact O-N 3.19Å; A1187-V1189 VanDerWaalsContact O-N 3.09Å; V1189-F1191 VanDerWaalsContact C-N 3.32Å; V1189-F1191 PolarHBondContact O-N 3.49Å
1190F83.8Confident83.5Confident143 Ų14327.4 Ų27.463%0.62715%0.148SC*.THydrogen-bonded Turntrans-77.8-6.5-175.2-57.7-74.8000114.9F1186 A1187 A1188F1186-F1190 HydrophobicContact CD1-CE2 4.15Å; F1186-F1190 AromaticContact CE1-CE2 3.67Å; F1186-F1190 HydrophobicContact CE1-CE2 3.67Å; F1186-F1190 HydrophobicContact CE1-CZ 4.05Å; F1186-F1190 HydrophobicContact CE2-CE2 4.4Å; F1186-F1190 HydrophobicContact CE2-CZ 4.43Å; F1186-F1190 AromaticContact CZ-CE2 3.81Å; F1186-F1190 HydrophobicContact CZ-CE2 3.81Å; F1186-F1190 AromaticContact CZ-CZ 3.78Å; F1186-F1190 HydrophobicContact CZ-CZ 3.78Å; A1187-F1190 PolarHBondContact O-N 3.01Å; A1187-F1190 VanDerWaalsContact O-N 3.08Å; A1188-F1190 PolarHBondContact O-N 3.12Å
1191F81.1Confident83.2Confident27 Ų2728.2 Ų28.212%0.11815%0.152CC..  trans-121.9116.5-171.8-56.5-65.4000115.2L1104 V1108 R1111 A1187 A1188 V1189 S1193 G1197 K1200 M1201L1104-F1191 HydrophobicContact CD1-CD2 3.94Å; L1104-F1191 HydrophobicContact CD1-CE2 4.13Å; V1108-F1191 VanDerWaalsContact CG1-O 3.22Å; V1108-F1191 WeakPolarHBondContact CG1-O 3.38Å; R1111-F1191 VanDerWaalsContact NH2-C 3.25Å; R1111-F1191 PolarHBondContact NH2-O 3.07Å; A1187-F1191 HydrophobicContact CB-CE2 4.43Å; A1187-F1191 WeakPolarHBondContact O-CD2 3.37Å; A1187-F1191 VanDerWaalsContact O-CE2 3.31Å; A1187-F1191 WeakPolarHBondContact O-CE2 3.5Å; A1188-F1191 PolarHBondContact O-N 3.09Å; V1189-F1191 VanDerWaalsContact C-N 3.32Å; V1189-F1191 PolarHBondContact O-N 3.49Å; F1191-S1193 VanDerWaalsContact C-N 3.32Å; F1191-S1193 PolarHBondContact O-N 3.26Å; F1191-G1197 VanDerWaalsContact CD2-CA 3.41Å; F1191-K1200 HydrophobicContact CD1-CD 4.16Å; F1191-K1200 HydrophobicContact CE1-CB 4.04Å; F1191-K1200 HydrophobicContact CE1-CD 3.44Å; F1191-K1200 VanDerWaalsContact CE1-CD 3.44Å; F1191-K1200 HydrophobicContact CE1-CG 4.38Å; F1191-K1200 HydrophobicContact CZ-CB 4.01Å; F1191-K1200 HydrophobicContact CZ-CD 4.22Å; F1191-M1201 HydrophobicContact CE2-CG 3.81Å; F1191-M1201 HydrophobicContact CE2-SD 3.92Å; F1191-M1201 HydrophobicContact CZ-CG 4.34Å; F1191-M1201 HydrophobicContact CZ-SD 4.13Å
1192S73.7Confident82.5Confident99 Ų9928.5 Ų28.569%0.69215%0.154SC*.SBendtrans-72.4-20.3176.355.90000114.9
1193S71.3Confident81.8Confident26 Ų2629.5 Ų29.518%0.18216%0.159CC..SBendtrans-121.3131.2178.71600000110V1108 F1191 A1195 N1196 G1197V1108-S1193 VanDerWaalsContact CG1-C 3.46Å; F1191-S1193 VanDerWaalsContact C-N 3.32Å; F1191-S1193 PolarHBondContact O-N 3.26Å; S1193-A1195 PolarHBondContact O-N 3.26Å; S1193-N1196 PolarHBondContact O-N 3.13Å; S1193-G1197 PolarHBondContact O-N 3.08Å; S1193-G1197 VanDerWaalsContact O-N 3.09Å
1194A71.6Confident81.4Confident12 Ų1233.1 Ų33.110%0.09918%0.175CC..Hα-helixtrans-59.6-37.2-174.900000112.6V1105 V1108 R1109 Y1198V1105-A1194 HydrophobicContact CG1-CB 4.29Å; V1105-A1194 WeakPolarHBondContact O-CB 3.33Å; V1108-A1194 HydrophobicContact CB-CB 3.86Å; V1108-A1194 HydrophobicContact CG1-CB 3.9Å; R1109-A1194 HydrophobicContact CB-CB 4.33Å; A1194-Y1198 PolarHBondContact O-N 2.88Å
1195A64.5Low81.1Confident12 Ų1233.1 Ų33.110%0.09918%0.175CC..Hα-helixtrans-77.7-37179.300000114.3N382 S1193 G1197 Y1198 V1199N382-A1195 HydrophobicContact CB-CB 3.14Å; N382-A1195 VanDerWaalsContact ND2-CB 3.3Å; N382-A1195 WeakPolarHBondContact ND2-CB 3.32Å; N382-A1195 WeakPolarHBondContact OD1-CB 3.2Å; S1193-A1195 PolarHBondContact O-N 3.26Å; A1195-G1197 PolarHBondContact O-N 3.18Å; A1195-Y1198 PolarHBondContact O-N 3.15Å; A1195-V1199 VanDerWaalsContact O-CG2 3.3Å; A1195-V1199 WeakPolarHBondContact O-CG2 3.27Å; A1195-V1199 PolarHBondContact O-N 3.1Å
1196N69.1Low80.6Confident38 Ų3833.4 Ų33.420%0.20318%0.176CC..Hα-helixtrans-57.2-41.3171.9-77.9-14.4000110.4R291 S1193 K1200R291-N1196 PolarHBondContact NH1-OD1 3.43Å; R291-N1196 PolarHBondContact NH2-OD1 3.34Å; S1193-N1196 PolarHBondContact O-N 3.13Å; N1196-K1200 WeakPolarHBondContact O-CB 3.29Å; N1196-K1200 VanDerWaalsContact O-CG 3.25Å; N1196-K1200 WeakPolarHBondContact O-CG 3.41Å; N1196-K1200 PolarHBondContact O-N 3.08Å
1197G78.1Confident80.2Confident0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-66.2-48.9174.800000112.3F1191 S1193 A1195 V1199 K1200 M1201F1191-G1197 VanDerWaalsContact CD2-CA 3.41Å; S1193-G1197 PolarHBondContact O-N 3.08Å; S1193-G1197 VanDerWaalsContact O-N 3.09Å; A1195-G1197 PolarHBondContact O-N 3.18Å; G1197-V1199 PolarHBondContact O-N 3.48Å; G1197-K1200 PolarHBondContact O-N 2.85Å; G1197-M1201 WeakPolarHBondContact O-CB 3.45Å; G1197-M1201 WeakPolarHBondContact O-CG 3.45Å; G1197-M1201 PolarHBondContact O-N 3.06Å
1198Y81.8Confident80Confident30 Ų3033 Ų3312%0.11818%0.175CC..Hα-helixtrans-54.3-49.6179176.7-104.3000112.6S1101 V1105 A1194 A1195 S1202S1101-Y1198 WeakPolarHBondContact O-CD2 3.38Å; V1105-Y1198 HydrophobicContact CG2-CD2 3.82Å; V1105-Y1198 HydrophobicContact CG2-CG 4.03Å; A1194-Y1198 PolarHBondContact O-N 2.88Å; A1195-Y1198 PolarHBondContact O-N 3.15Å; Y1198-S1202 VanDerWaalsContact O-CB 3.3Å; Y1198-S1202 WeakPolarHBondContact O-CB 3.44Å; Y1198-S1202 PolarHBondContact O-N 3.43Å; Y1198-S1202 PolarHBondContact O-OG 3.44Å
1199V73.4Confident80Confident5 Ų532.9 Ų32.93%0.0317%0.174CC..Hα-helixtrans-65.4-48.4-177.4174.20000111.2V287 A385 A1195 G1197 M1201 S1202 I1203V287-V1199 HydrophobicContact CG1-CG1 3.5Å; A385-V1199 HydrophobicContact CB-CB 4.34Å; A385-V1199 HydrophobicContact CB-CG1 4.1Å; A385-V1199 HydrophobicContact CB-CG2 3.26Å; A1195-V1199 VanDerWaalsContact O-CG2 3.3Å; A1195-V1199 WeakPolarHBondContact O-CG2 3.27Å; A1195-V1199 PolarHBondContact O-N 3.1Å; G1197-V1199 PolarHBondContact O-N 3.48Å; V1199-M1201 VanDerWaalsContact C-N 3.34Å; V1199-M1201 PolarHBondContact O-N 3.44Å; V1199-S1202 PolarHBondContact O-N 3.39Å; V1199-I1203 HydrophobicContact CG1-CD1 4.07Å; V1199-I1203 WeakPolarHBondContact O-CG1 3.22Å; V1199-I1203 PolarHBondContact O-N 3.39Å
1200K78Confident80Confident67 Ų6730.3 Ų30.329%0.29116%0.159SC..Hα-helixtrans-64.8-39.7-178.8-72.7178.5174.1-166.30111.8W24 F1191 N1196 G1197 F1204W24-K1200 HydrophobicContact CH2-CG 4.39Å; W24-K1200 VanDerWaalsContact CZ2-CE 3.47Å; F1191-K1200 HydrophobicContact CD1-CD 4.16Å; F1191-K1200 HydrophobicContact CE1-CB 4.04Å; F1191-K1200 HydrophobicContact CE1-CD 3.44Å; F1191-K1200 VanDerWaalsContact CE1-CD 3.44Å; F1191-K1200 HydrophobicContact CE1-CG 4.38Å; F1191-K1200 HydrophobicContact CZ-CB 4.01Å; F1191-K1200 HydrophobicContact CZ-CD 4.22Å; N1196-K1200 WeakPolarHBondContact O-CB 3.29Å; N1196-K1200 VanDerWaalsContact O-CG 3.25Å; N1196-K1200 WeakPolarHBondContact O-CG 3.41Å; N1196-K1200 PolarHBondContact O-N 3.08Å; G1197-K1200 PolarHBondContact O-N 2.85Å; K1200-F1204 WeakPolarHBondContact O-CB 3.15Å; K1200-F1204 PolarHBondContact O-N 3.05Å
1201M87.3Confident80Confident16 Ų1624.6 Ų24.68%0.07914%0.135CC..Hα-helixtrans-73.1-34176.7-67.3-47.6-62.200112.7S1101 L1104 M1184 A1187 F1191 G1197 V1199 I1203 F1204 N1205S1101-M1201 VanDerWaalsContact OG-C 3.28Å; S1101-M1201 PolarHBondContact OG-O 2.8Å; L1104-M1201 HydrophobicContact CD1-CB 4.42Å; L1104-M1201 HydrophobicContact CD1-CG 3.6Å; M1184-M1201 HydrophobicContact CE-CE 3.47Å; M1184-M1201 VanDerWaalsContact CE-CE 3.47Å; M1184-M1201 HydrophobicContact SD-CB 4.05Å; M1184-M1201 HydrophobicContact SD-CE 4.12Å; M1184-M1201 HydrophobicContact SD-CG 4.29Å; A1187-M1201 HydrophobicContact CB-CE 3.77Å; A1187-M1201 HydrophobicContact CB-CG 4.1Å; A1187-M1201 HydrophobicContact CB-SD 3.73Å; F1191-M1201 HydrophobicContact CE2-CG 3.81Å; F1191-M1201 HydrophobicContact CE2-SD 3.92Å; F1191-M1201 HydrophobicContact CZ-CG 4.34Å; F1191-M1201 HydrophobicContact CZ-SD 4.13Å; G1197-M1201 WeakPolarHBondContact O-CB 3.45Å; G1197-M1201 WeakPolarHBondContact O-CG 3.45Å; G1197-M1201 PolarHBondContact O-N 3.06Å; V1199-M1201 VanDerWaalsContact C-N 3.34Å; V1199-M1201 PolarHBondContact O-N 3.44Å; M1201-I1203 VanDerWaalsContact C-N 3.33Å; M1201-I1203 PolarHBondContact O-N 3.33Å; M1201-F1204 HydrophobicContact CE-CB 4.5Å; M1201-F1204 HydrophobicContact CE-CD1 3.64Å; M1201-F1204 HydrophobicContact CE-CE1 4.26Å; M1201-F1204 HydrophobicContact CE-CG 4.31Å; M1201-F1204 PolarHBondContact O-N 2.89Å; M1201-N1205 VanDerWaalsContact O-CB 3.24Å; M1201-N1205 WeakPolarHBondContact O-CB 3.21Å; M1201-N1205 PolarHBondContact O-N 3.16Å; M1201-N1205 PolarHBondContact O-ND2 2.82Å; M1201-N1205 VanDerWaalsContact O-ND2 3.16Å
1202S81.5Confident80.3Confident6 Ų623.7 Ų23.74%0.04213%0.131CC..Hα-helixtrans-60.7-45.9173.4-58.90000110.8S1101 Y1198 V1199 N1205 L1206S1101-S1202 WeakPolarHBondContact CB-OG 3.37Å; S1101-S1202 WeakPolarHBondContact OG-CA 3.37Å; S1101-S1202 PolarHBondContact OG-N 3.18Å; S1101-S1202 VanDerWaalsContact OG-N 3.12Å; S1101-S1202 PolarHBondContact OG-OG 3.02Å; Y1198-S1202 VanDerWaalsContact O-CB 3.3Å; Y1198-S1202 WeakPolarHBondContact O-CB 3.44Å; Y1198-S1202 PolarHBondContact O-N 3.43Å; Y1198-S1202 PolarHBondContact O-OG 3.44Å; V1199-S1202 PolarHBondContact O-N 3.39Å; S1202-N1205 PolarHBondContact O-N 2.94Å; S1202-L1206 VanDerWaalsContact O-CB 3.27Å; S1202-L1206 WeakPolarHBondContact O-CB 3.41Å; S1202-L1206 PolarHBondContact O-N 2.9Å
1203I79.4Confident81Confident24 Ų2419 Ų1912%0.12310%0.099CC..Hα-helixtrans-67-45.7177.2-63.8171.1000110.8F284 V287 V1199 M1201 N1205 L1206 L1207F284-I1203 HydrophobicContact CD2-CD1 3.66Å; F284-I1203 HydrophobicContact CD2-CG2 4.22Å; F284-I1203 HydrophobicContact CE2-CD1 4.24Å; V287-I1203 HydrophobicContact CB-CD1 4.43Å; V287-I1203 HydrophobicContact CG1-CD1 4.14Å; V1199-I1203 HydrophobicContact CG1-CD1 4.07Å; V1199-I1203 WeakPolarHBondContact O-CG1 3.22Å; V1199-I1203 PolarHBondContact O-N 3.39Å; M1201-I1203 VanDerWaalsContact C-N 3.33Å; M1201-I1203 PolarHBondContact O-N 3.33Å; I1203-N1205 VanDerWaalsContact C-N 3.3Å; I1203-N1205 PolarHBondContact O-N 3.24Å; I1203-L1206 WeakPolarHBondContact O-CB 3.02Å; I1203-L1206 PolarHBondContact O-N 3.4Å; I1203-L1207 HydrophobicContact CG2-CD1 3.72Å; I1203-L1207 HydrophobicContact CG2-CG 4.16Å; I1203-L1207 WeakPolarHBondContact O-CB 3.34Å; I1203-L1207 WeakPolarHBondContact O-CG 3.4Å; I1203-L1207 PolarHBondContact O-N 2.88Å
1204F86.1Confident81.7Confident83 Ų8317.9 Ų17.936%0.3649%0.091SC..Hα-helixtrans-58.2-43.2176.4174-95.9000112K1200 M1201 L1207 S1208 F1239K1200-F1204 WeakPolarHBondContact O-CB 3.15Å; K1200-F1204 PolarHBondContact O-N 3.05Å; M1201-F1204 HydrophobicContact CE-CB 4.5Å; M1201-F1204 HydrophobicContact CE-CD1 3.64Å; M1201-F1204 HydrophobicContact CE-CE1 4.26Å; M1201-F1204 HydrophobicContact CE-CG 4.31Å; M1201-F1204 PolarHBondContact O-N 2.89Å; F1204-L1207 PolarHBondContact O-N 3.47Å; F1204-S1208 VanDerWaalsContact O-CB 3.24Å; F1204-S1208 WeakPolarHBondContact O-CB 3.39Å; F1204-S1208 PolarHBondContact O-N 2.9Å; F1204-S1208 PolarHBondContact O-OG 2.49Å; F1204-F1239 HydrophobicContact CE2-CE1 4.21Å; F1204-F1239 HydrophobicContact CZ-CD1 4.12Å; F1204-F1239 AromaticContact CZ-CE1 3.94Å; F1204-F1239 HydrophobicContact CZ-CE1 3.94Å
1205N89.4Confident82.2Confident0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-67-41.7178.7-72.5-29.1000111.6S1097 S1101 M1183 M1184 M1201 S1202 I1203 L1207 S1208 G1209 N1241S1097-N1205 PolarHBondContact OG-O 2.87Å; S1101-N1205 PolarHBondContact OG-ND2 3.42Å; M1183-N1205 WeakPolarHBondContact CE-OD1 3.48Å; M1184-N1205 WeakPolarHBondContact CE-ND2 3.16Å; M1201-N1205 VanDerWaalsContact O-CB 3.24Å; M1201-N1205 WeakPolarHBondContact O-CB 3.21Å; M1201-N1205 PolarHBondContact O-N 3.16Å; M1201-N1205 PolarHBondContact O-ND2 2.82Å; M1201-N1205 VanDerWaalsContact O-ND2 3.16Å; S1202-N1205 PolarHBondContact O-N 2.94Å; I1203-N1205 VanDerWaalsContact C-N 3.3Å; I1203-N1205 PolarHBondContact O-N 3.24Å; N1205-L1207 PolarHBondContact O-N 2.89Å; N1205-S1208 WeakPolarHBondContact CA-OG 3.28Å; N1205-S1208 PolarHBondContact O-OG 2.91Å; N1205-G1209 PolarHBondContact O-N 3.48Å; N1205-N1241 VanDerWaalsContact CA-ND2 3.32Å; N1205-N1241 WeakPolarHBondContact CA-ND2 3.25Å; N1205-N1241 WeakPolarHBondContact CB-ND2 3.09Å; N1205-N1241 PolarHBondContact OD1-ND2 3.11Å
1206L84.7Confident83.2Confident10 Ų1017.4 Ų17.45%0.0529%0.085CC..Hα-helixtrans-59.4-46.4174.7-169.578.1000111.7L280 F1094 F1098 S1202 I1203 L1210L280-L1206 HydrophobicContact CD2-CD2 3.98Å; L280-L1206 HydrophobicContact CD2-CG 4.23Å; F1094-L1206 HydrophobicContact CD2-CD1 3.58Å; F1094-L1206 HydrophobicContact CE2-CD1 3.43Å; F1094-L1206 VanDerWaalsContact CE2-CD1 3.43Å; F1094-L1206 HydrophobicContact CG-CD1 4.23Å; F1094-L1206 HydrophobicContact CZ-CD1 4.04Å; F1098-L1206 HydrophobicContact CE2-CD1 4.29Å; S1202-L1206 VanDerWaalsContact O-CB 3.27Å; S1202-L1206 WeakPolarHBondContact O-CB 3.41Å; S1202-L1206 PolarHBondContact O-N 2.9Å; I1203-L1206 WeakPolarHBondContact O-CB 3.02Å; I1203-L1206 PolarHBondContact O-N 3.4Å; L1206-L1210 HydrophobicContact CD1-CD1 3.32Å; L1206-L1210 HydrophobicContact CD1-CG 4.23Å; L1206-L1210 HydrophobicContact CG-CD1 3.85Å; L1206-L1210 VanDerWaalsContact O-CB 3.29Å; L1206-L1210 WeakPolarHBondContact O-CB 3.26Å; L1206-L1210 WeakPolarHBondContact O-CG 3.41Å; L1206-L1210 PolarHBondContact O-N 2.74Å
1207L83.1Confident83.7Confident32 Ų3216.7 Ų16.717%0.1688%0.082CC..Iπ-helixtrans-68.9-51.5179.7-67.6173000111.8L31 F35 I1203 F1204 N1205 G1209 L1211L31-L1207 HydrophobicContact CD1-CD1 3.44Å; L31-L1207 VanDerWaalsContact CD1-CD1 3.44Å; L31-L1207 HydrophobicContact CD1-CD2 3.99Å; L31-L1207 HydrophobicContact CD1-CG 4.37Å; L31-L1207 HydrophobicContact CD2-CD1 4.05Å; L31-L1207 HydrophobicContact CD2-CD2 4.14Å; L31-L1207 HydrophobicContact CG-CD1 4.38Å; L31-L1207 HydrophobicContact CG-CD2 4.48Å; F35-L1207 HydrophobicContact CE1-CD2 4.09Å; F35-L1207 HydrophobicContact CE2-CD2 4.11Å; F35-L1207 HydrophobicContact CZ-CD2 3.29Å; I1203-L1207 HydrophobicContact CG2-CD1 3.72Å; I1203-L1207 HydrophobicContact CG2-CG 4.16Å; I1203-L1207 WeakPolarHBondContact O-CB 3.34Å; I1203-L1207 WeakPolarHBondContact O-CG 3.4Å; I1203-L1207 PolarHBondContact O-N 2.88Å; F1204-L1207 PolarHBondContact O-N 3.47Å; N1205-L1207 PolarHBondContact O-N 2.89Å; L1207-G1209 PolarHBondContact O-N 3.24Å; L1207-L1211 VanDerWaalsContact O-CB 3.26Å; L1207-L1211 WeakPolarHBondContact O-CB 3.24Å; L1207-L1211 PolarHBondContact O-N 3.05Å; L1207-L1211 VanDerWaalsContact O-N 3.15Å
1208S87.7Confident83.8Confident7 Ų716.8 Ų16.85%0.0498%0.083CC..Iπ-helixtrans-63.7-22.4-179.258.50000113.5F1204 N1205 T1212 N1241F1204-S1208 VanDerWaalsContact O-CB 3.24Å; F1204-S1208 WeakPolarHBondContact O-CB 3.39Å; F1204-S1208 PolarHBondContact O-N 2.9Å; F1204-S1208 PolarHBondContact O-OG 2.49Å; N1205-S1208 WeakPolarHBondContact CA-OG 3.28Å; N1205-S1208 PolarHBondContact O-OG 2.91Å; S1208-T1212 WeakPolarHBondContact O-CG2 3.5Å; S1208-T1212 PolarHBondContact O-OG1 3.09Å; S1208-N1241 PolarHBondContact OG-ND2 2.92Å
1209G88.2Confident83.7Confident0 Ų015.4 Ų15.40%08%0.077CC..Iπ-helixtrans-91.6-58.417400000113.8N1205 L1207 T1212 L1213N1205-G1209 PolarHBondContact O-N 3.48Å; L1207-G1209 PolarHBondContact O-N 3.24Å; G1209-T1212 PolarHBondContact O-OG1 2.69Å; G1209-L1213 VanDerWaalsContact O-CB 3.26Å; G1209-L1213 WeakPolarHBondContact O-CB 3.31Å; G1209-L1213 PolarHBondContact O-N 2.92Å
1210L87.1Confident83.8Confident0 Ų016.7 Ų16.70%08%0.084CC..Iπ-helixtrans-82-40.7-168.6-58.6179.3000113.6L280 F1090 V1093 F1094 L1206 L1213 V1214L280-L1210 HydrophobicContact CD1-CB 4.26Å; L280-L1210 HydrophobicContact CD2-CD1 4.21Å; F1090-L1210 HydrophobicContact CD2-CD2 3.74Å; F1090-L1210 HydrophobicContact CE2-CB 4.15Å; F1090-L1210 HydrophobicContact CE2-CD1 4.12Å; F1090-L1210 HydrophobicContact CE2-CD2 3.89Å; F1090-L1210 HydrophobicContact CE2-CG 4.28Å; F1090-L1210 HydrophobicContact CG-CD2 4.07Å; F1090-L1210 HydrophobicContact CZ-CD1 3.99Å; F1090-L1210 HydrophobicContact CZ-CD2 4.36Å; F1090-L1210 WeakPolarHBondContact O-CD2 3.1Å; V1093-L1210 HydrophobicContact CB-CD2 3.87Å; V1093-L1210 HydrophobicContact CG1-CD2 3.67Å; V1093-L1210 HydrophobicContact CG1-CG 4.17Å; F1094-L1210 HydrophobicContact CB-CD1 4.36Å; F1094-L1210 HydrophobicContact CD2-CD1 3.54Å; F1094-L1210 HydrophobicContact CE2-CD1 4.24Å; F1094-L1210 HydrophobicContact CG-CD1 4.39Å; L1206-L1210 HydrophobicContact CD1-CD1 3.32Å; L1206-L1210 HydrophobicContact CD1-CG 4.23Å; L1206-L1210 HydrophobicContact CG-CD1 3.85Å; L1206-L1210 VanDerWaalsContact O-CB 3.29Å; L1206-L1210 WeakPolarHBondContact O-CB 3.26Å; L1206-L1210 WeakPolarHBondContact O-CG 3.41Å; L1206-L1210 PolarHBondContact O-N 2.74Å; L1210-L1213 PolarHBondContact O-N 3.13Å; L1210-V1214 WeakPolarHBondContact O-CB 3.32Å; L1210-V1214 VanDerWaalsContact O-CG2 3.23Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.44Å; L1210-V1214 PolarHBondContact O-N 3.39Å
1211L83Confident83.5Confident23 Ų2315.1 Ų15.112%0.128%0.078CC..Iπ-helixtrans-66.1-43.8-180174.455.7000110.6L34 F35 L1207 L1213 V1214 T1215L34-L1211 HydrophobicContact CD2-CD2 3.87Å; F35-L1211 HydrophobicContact CD1-CD1 3.45Å; F35-L1211 VanDerWaalsContact CD1-CD1 3.45Å; F35-L1211 HydrophobicContact CD1-CD2 3.77Å; F35-L1211 HydrophobicContact CD1-CG 4.12Å; F35-L1211 HydrophobicContact CE1-CB 3.96Å; F35-L1211 HydrophobicContact CE1-CD1 3.46Å; F35-L1211 VanDerWaalsContact CE1-CD1 3.46Å; F35-L1211 HydrophobicContact CE1-CD2 3.44Å; F35-L1211 VanDerWaalsContact CE1-CD2 3.44Å; F35-L1211 HydrophobicContact CE1-CG 3.76Å; F35-L1211 HydrophobicContact CZ-CD2 4.34Å; L1207-L1211 VanDerWaalsContact O-CB 3.26Å; L1207-L1211 WeakPolarHBondContact O-CB 3.24Å; L1207-L1211 PolarHBondContact O-N 3.05Å; L1207-L1211 VanDerWaalsContact O-N 3.15Å; L1211-L1213 VanDerWaalsContact C-N 3.33Å; L1211-V1214 PolarHBondContact O-N 2.73Å; L1211-T1215 VanDerWaalsContact O-CB 3.28Å; L1211-T1215 WeakPolarHBondContact O-CB 3.04Å; L1211-T1215 PolarHBondContact O-N 3.19Å; L1211-T1215 PolarHBondContact O-OG1 3.28Å
1212T88Confident82.8Confident8 Ų815.3 Ų15.35%0.0498%0.08CC..Hα-helixtrans-63-42.3178.153.60000110.6S1208 G1209 T1215 V1216 F1235 F1239 F1242S1208-T1212 WeakPolarHBondContact O-CG2 3.5Å; S1208-T1212 PolarHBondContact O-OG1 3.09Å; G1209-T1212 PolarHBondContact O-OG1 2.69Å; T1212-T1215 PolarHBondContact O-N 3.33Å; T1212-V1216 WeakPolarHBondContact O-CG2 3.27Å; T1212-V1216 PolarHBondContact O-N 3.47Å; T1212-F1235 HydrophobicContact CG2-CB 4.4Å; T1212-F1235 HydrophobicContact CG2-CD1 3.91Å; T1212-F1235 HydrophobicContact CG2-CD2 3.91Å; T1212-F1235 HydrophobicContact CG2-CE1 4.1Å; T1212-F1235 HydrophobicContact CG2-CE2 4.09Å; T1212-F1235 HydrophobicContact CG2-CG 3.82Å; T1212-F1235 HydrophobicContact CG2-CZ 4.18Å; T1212-F1239 HydrophobicContact CG2-CD2 4.07Å; T1212-F1239 HydrophobicContact CG2-CE2 4.35Å; T1212-F1242 WeakPolarHBondContact OG1-CD2 3.28Å
1213L87.8Confident82.2Confident1 Ų120.2 Ų20.21%0.00511%0.105CC..Hα-helixtrans-59.5-53.4173.4-172.468.9000111.4F1086 A1089 F1090 G1209 L1210 L1211 T1215 V1216 T1217F1086-L1213 HydrophobicContact CE2-CD2 4.21Å; F1086-L1213 HydrophobicContact CE2-CG 4.19Å; A1089-L1213 HydrophobicContact CB-CD2 4.24Å; F1090-L1213 HydrophobicContact CB-CD2 4.46Å; G1209-L1213 VanDerWaalsContact O-CB 3.26Å; G1209-L1213 WeakPolarHBondContact O-CB 3.31Å; G1209-L1213 PolarHBondContact O-N 2.92Å; L1210-L1213 PolarHBondContact O-N 3.13Å; L1211-L1213 VanDerWaalsContact C-N 3.33Å; L1213-T1215 VanDerWaalsContact C-N 3.3Å; L1213-T1215 PolarHBondContact O-N 3.27Å; L1213-V1216 PolarHBondContact O-N 2.96Å; L1213-T1217 PolarHBondContact O-N 3.24Å; L1213-T1217 PolarHBondContact O-OG1 3.28Å
1214V85Confident82.1Confident2 Ų220.6 Ų20.61%0.01211%0.108CC..Hα-helixtrans-58.5-41.8178.5169.90000111.5H273 V276 V277 F1086 F1090 L1210 L1211 V1216 T1217 I1218H273-V1214 HydrophobicContact CB-CG1 4.44Å; V276-V1214 HydrophobicContact CG1-CG2 3.99Å; V277-V1214 HydrophobicContact CG2-CG1 4.38Å; F1086-V1214 HydrophobicContact CE2-CG2 4.24Å; F1086-V1214 HydrophobicContact CZ-CG2 3.85Å; F1090-V1214 HydrophobicContact CE2-CG2 4.33Å; L1210-V1214 WeakPolarHBondContact O-CB 3.32Å; L1210-V1214 VanDerWaalsContact O-CG2 3.23Å; L1210-V1214 WeakPolarHBondContact O-CG2 3.44Å; L1210-V1214 PolarHBondContact O-N 3.39Å; L1211-V1214 PolarHBondContact O-N 2.73Å; V1214-V1216 VanDerWaalsContact C-N 3.34Å; V1214-V1216 PolarHBondContact O-N 3.03Å; V1214-T1217 PolarHBondContact O-N 3.03Å; V1214-I1218 HydrophobicContact CG1-CD1 3.59Å; V1214-I1218 HydrophobicContact CG1-CG1 4.18Å; V1214-I1218 WeakPolarHBondContact O-CB 3.2Å; V1214-I1218 WeakPolarHBondContact O-CG1 3.5Å; V1214-I1218 PolarHBondContact O-N 2.95Å
1215T83.5Confident81.6Confident10 Ų1018.8 Ų18.86%0.06110%0.103CC..Hα-helixtrans-64.1-41.8-179.9-60.10000111.1V38 L1211 T1212 L1213 I1218 L1219 F1235V38-T1215 HydrophobicContact CG1-CG2 4.14Å; L1211-T1215 VanDerWaalsContact O-CB 3.28Å; L1211-T1215 WeakPolarHBondContact O-CB 3.04Å; L1211-T1215 PolarHBondContact O-N 3.19Å; L1211-T1215 PolarHBondContact O-OG1 3.28Å; T1212-T1215 PolarHBondContact O-N 3.33Å; L1213-T1215 VanDerWaalsContact C-N 3.3Å; L1213-T1215 PolarHBondContact O-N 3.27Å; T1215-I1218 PolarHBondContact O-N 3.39Å; T1215-L1219 HydrophobicContact CG2-CD1 4.03Å; T1215-L1219 WeakPolarHBondContact O-CB 3.46Å; T1215-L1219 WeakPolarHBondContact O-CD1 3.45Å; T1215-L1219 VanDerWaalsContact O-CG 3.26Å; T1215-L1219 WeakPolarHBondContact O-CG 3.29Å; T1215-L1219 PolarHBondContact O-N 2.86Å; T1215-F1235 HydrophobicContact CG2-CE2 4.45Å
1216V84.4Confident81Confident4 Ų424.7 Ų24.72%0.02413%0.131CC..Hα-helixtrans-66.4-39.6176.3170.10000111.3T1212 L1213 V1214 L1219 L1220 Q1228 V1232 F1235 F1242T1212-V1216 WeakPolarHBondContact O-CG2 3.27Å; T1212-V1216 PolarHBondContact O-N 3.47Å; L1213-V1216 PolarHBondContact O-N 2.96Å; V1214-V1216 VanDerWaalsContact C-N 3.34Å; V1214-V1216 PolarHBondContact O-N 3.03Å; V1216-L1219 PolarHBondContact O-N 3.41Å; V1216-L1220 PolarHBondContact O-N 3.43Å; V1216-L1220 VanDerWaalsContact O-N 3.12Å; V1216-Q1228 HydrophobicContact CG1-CG 4.07Å; V1216-V1232 HydrophobicContact CB-CG2 4.46Å; V1216-V1232 HydrophobicContact CG1-CG2 3.77Å; V1216-V1232 HydrophobicContact CG2-CG2 3.74Å; V1216-F1235 HydrophobicContact CG2-CD2 4.1Å; V1216-F1235 HydrophobicContact CG2-CE2 4.28Å; V1216-F1242 HydrophobicContact CB-CE2 4.48Å; V1216-F1242 HydrophobicContact CG2-CE2 3.83Å; V1216-F1242 HydrophobicContact CG2-CZ 4.07Å
1217T80.7Confident80.8Confident23 Ų2327 Ų2714%0.14115%0.145CC..Hα-helixtrans-64.6-44.7174.9-52.10000111.7F1086 L1213 V1214 L1219 L1220 I1221F1086-T1217 HydrophobicContact CD2-CG2 4.25Å; L1213-T1217 PolarHBondContact O-N 3.24Å; L1213-T1217 PolarHBondContact O-OG1 3.28Å; V1214-T1217 PolarHBondContact O-N 3.03Å; T1217-L1219 VanDerWaalsContact C-N 3.34Å; T1217-L1219 PolarHBondContact O-N 2.82Å; T1217-L1220 WeakPolarHBondContact O-CB 3.14Å; T1217-L1220 PolarHBondContact O-N 3.43Å; T1217-I1221 HydrophobicContact CG2-CD1 4.16Å; T1217-I1221 WeakPolarHBondContact O-CG1 3.35Å; T1217-I1221 PolarHBondContact O-N 2.85Å
1218I79.6Confident80.8Confident2 Ų225.9 Ų25.91%0.0114%0.139CC..Hα-helixtrans-61.7-43.1177.3-67167.9000110.9L39 L42 V269 H273 V1214 T1215 L1220 I1221 L1222L39-I1218 HydrophobicContact CD2-CD1 4.01Å; L42-I1218 HydrophobicContact CD1-CB 4.35Å; L42-I1218 HydrophobicContact CD1-CG2 3.72Å; V269-I1218 HydrophobicContact CB-CG2 4.44Å; V269-I1218 HydrophobicContact CG1-CB 4.46Å; V269-I1218 HydrophobicContact CG1-CD1 4.09Å; V269-I1218 HydrophobicContact CG1-CG1 4Å; V269-I1218 HydrophobicContact CG1-CG2 3.62Å; V269-I1218 HydrophobicContact CG2-CG2 3.9Å; H273-I1218 HydrophobicContact CB-CD1 3.96Å; H273-I1218 HydrophobicContact CB-CG1 4.02Å; V1214-I1218 HydrophobicContact CG1-CD1 3.59Å; V1214-I1218 HydrophobicContact CG1-CG1 4.18Å; V1214-I1218 WeakPolarHBondContact O-CB 3.2Å; V1214-I1218 WeakPolarHBondContact O-CG1 3.5Å; V1214-I1218 PolarHBondContact O-N 2.95Å; T1215-I1218 PolarHBondContact O-N 3.39Å; I1218-L1220 PolarHBondContact O-N 3.29Å; I1218-I1221 PolarHBondContact O-N 3.23Å; I1218-L1222 HydrophobicContact CG2-CD1 3.74Å; I1218-L1222 HydrophobicContact CG2-CG 4.25Å; I1218-L1222 WeakPolarHBondContact O-CB 3.48Å; I1218-L1222 VanDerWaalsContact O-CG 3.32Å; I1218-L1222 WeakPolarHBondContact O-CG 2.93Å; I1218-L1222 PolarHBondContact O-N 2.73Å
1219L80.9Confident80.6Confident0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-62-34.4177.6-77.2162.1000112.6L42 T1215 V1216 T1217 D1223 L1224 V1227 Q1228 L1231L42-L1219 HydrophobicContact CD2-CD1 4.46Å; L42-L1219 HydrophobicContact CD2-CD2 3.19Å; L42-L1219 HydrophobicContact CD2-CG 3.65Å; T1215-L1219 HydrophobicContact CG2-CD1 4.03Å; T1215-L1219 WeakPolarHBondContact O-CB 3.46Å; T1215-L1219 WeakPolarHBondContact O-CD1 3.45Å; T1215-L1219 VanDerWaalsContact O-CG 3.26Å; T1215-L1219 WeakPolarHBondContact O-CG 3.29Å; T1215-L1219 PolarHBondContact O-N 2.86Å; V1216-L1219 PolarHBondContact O-N 3.41Å; T1217-L1219 VanDerWaalsContact C-N 3.34Å; T1217-L1219 PolarHBondContact O-N 2.82Å; L1219-D1223 PolarHBondContact O-N 3.38Å; L1219-L1224 HydrophobicContact CD2-CB 3.73Å; L1219-L1224 HydrophobicContact CD2-CD1 3.91Å; L1219-L1224 HydrophobicContact CD2-CG 4.5Å; L1219-L1224 PolarHBondContact O-N 3.34Å; L1219-V1227 HydrophobicContact CD1-CG1 4.5Å; L1219-V1227 HydrophobicContact CD2-CB 4.2Å; L1219-V1227 HydrophobicContact CD2-CG1 3.92Å; L1219-Q1228 HydrophobicContact CB-CB 3.88Å; L1219-Q1228 HydrophobicContact CB-CG 4Å; L1219-Q1228 HydrophobicContact CD1-CB 4.45Å; L1219-L1231 HydrophobicContact CD1-CD1 3.52Å
1220L75.1Confident80.4Confident33 Ų3333.7 Ų33.717%0.17318%0.179CC..Hα-helixtrans-68.8-43.7175-174.167.4000111.4Q183 F187 V1216 T1217 I1218 L1222 D1223Q183-L1220 HydrophobicContact CB-CD1 4.17Å; F187-L1220 HydrophobicContact CE2-CD2 4.45Å; V1216-L1220 PolarHBondContact O-N 3.43Å; V1216-L1220 VanDerWaalsContact O-N 3.12Å; T1217-L1220 WeakPolarHBondContact O-CB 3.14Å; T1217-L1220 PolarHBondContact O-N 3.43Å; I1218-L1220 PolarHBondContact O-N 3.29Å; L1220-L1222 VanDerWaalsContact C-N 3.25Å; L1220-L1222 PolarHBondContact O-N 2.78Å; L1220-D1223 PolarHBondContact O-N 3.08Å
1221I71.9Confident80.4Confident33 Ų3336 Ų3617%0.16919%0.192CC..Hα-helixtrans-62.6-34.4177-67.8166.6000111.6T268 V269 H273 T1217 I1218 D1223T268-I1221 HydrophobicContact CG2-CG2 4.47Å; V269-I1221 HydrophobicContact CG2-CG2 4.11Å; H273-I1221 WeakPolarHBondContact NE2-CD1 3.32Å; T1217-I1221 HydrophobicContact CG2-CD1 4.16Å; T1217-I1221 WeakPolarHBondContact O-CG1 3.35Å; T1217-I1221 PolarHBondContact O-N 2.85Å; I1218-I1221 PolarHBondContact O-N 3.23Å; I1221-D1223 VanDerWaalsContact C-N 3.29Å; I1221-D1223 PolarHBondContact O-N 3.25Å
1222L71.7Confident80.6Confident21 Ų2135 Ų3511%0.1119%0.186CC..THydrogen-bonded Turntrans-85.86.5179.7-65.3177.3000114L42 V46 F266 V269 I1218 L1220 L1224L42-L1222 HydrophobicContact CB-CD1 4.1Å; V46-L1222 HydrophobicContact CG2-CB 4.21Å; V46-L1222 HydrophobicContact CG2-CD1 3.75Å; V46-L1222 HydrophobicContact CG2-CD2 3.69Å; V46-L1222 HydrophobicContact CG2-CG 4.08Å; F266-L1222 HydrophobicContact CD2-CD1 3.94Å; F266-L1222 HydrophobicContact CD2-CD2 4.13Å; F266-L1222 HydrophobicContact CE2-CD1 4.02Å; V269-L1222 HydrophobicContact CG2-CD1 4.29Å; V269-L1222 HydrophobicContact CG2-CD2 3.68Å; V269-L1222 HydrophobicContact CG2-CG 3.9Å; I1218-L1222 HydrophobicContact CG2-CD1 3.74Å; I1218-L1222 HydrophobicContact CG2-CG 4.25Å; I1218-L1222 WeakPolarHBondContact O-CB 3.48Å; I1218-L1222 VanDerWaalsContact O-CG 3.32Å; I1218-L1222 WeakPolarHBondContact O-CG 2.93Å; I1218-L1222 PolarHBondContact O-N 2.73Å; L1220-L1222 VanDerWaalsContact C-N 3.25Å; L1220-L1222 PolarHBondContact O-N 2.78Å; L1222-L1224 HydrophobicContact CB-CD1 4.1Å; L1222-L1224 HydrophobicContact CB-CG 4.13Å; L1222-L1224 HydrophobicContact CD1-CD1 4.41Å; L1222-L1224 PolarHBondContact O-N 3.4Å
1223D69.7Low80.8Confident109 Ų10940.1 Ų40.158%0.58321%0.205SC*.THydrogen-bonded Turntrans55.828-177-162.132000114.6L1219 L1220 I1221 V1225L1219-D1223 PolarHBondContact O-N 3.38Å; L1220-D1223 PolarHBondContact O-N 3.08Å; I1221-D1223 VanDerWaalsContact C-N 3.29Å; I1221-D1223 PolarHBondContact O-N 3.25Å; D1223-V1225 PolarHBondContact O-N 2.93Å; D1223-V1225 VanDerWaalsContact O-N 3.1Å
1224L76.5Confident80.9Confident32 Ų3243.1 Ų43.117%0.16822%0.223CC..  trans-90.155.1178.7-66.4174.2000111.1L42 N45 L1219 L1222 E1226 V1227 Q1228L42-L1224 HydrophobicContact CD2-CD1 4.47Å; N45-L1224 HydrophobicContact CB-CD1 3.65Å; N45-L1224 HydrophobicContact CB-CD2 3.93Å; N45-L1224 HydrophobicContact CB-CG 4.48Å; L1219-L1224 HydrophobicContact CD2-CB 3.73Å; L1219-L1224 HydrophobicContact CD2-CD1 3.91Å; L1219-L1224 HydrophobicContact CD2-CG 4.5Å; L1219-L1224 PolarHBondContact O-N 3.34Å; L1222-L1224 HydrophobicContact CB-CD1 4.1Å; L1222-L1224 HydrophobicContact CB-CG 4.13Å; L1222-L1224 HydrophobicContact CD1-CD1 4.41Å; L1222-L1224 PolarHBondContact O-N 3.4Å; L1224-E1226 PolarHBondContact O-N 3.28Å; L1224-V1227 PolarHBondContact O-N 2.77Å; L1224-Q1228 WeakPolarHBondContact O-CB 3.48Å; L1224-Q1228 PolarHBondContact O-N 3.43Å
1225V76.5Confident81.2Confident45 Ų4544.5 Ų44.527%0.27323%0.229SC..Hα-helixtrans-61.1-37.7-167.6-179.40000113.3D1223 Q1228 K1229D1223-V1225 PolarHBondContact O-N 2.93Å; D1223-V1225 VanDerWaalsContact O-N 3.1Å; V1225-Q1228 WeakPolarHBondContact O-CB 3.34Å; V1225-Q1228 PolarHBondContact O-N 3.16Å; V1225-K1229 HydrophobicContact CG1-CD 4.24Å; V1225-K1229 HydrophobicContact CG1-CG 4.45Å; V1225-K1229 WeakPolarHBondContact O-CB 3.48Å; V1225-K1229 VanDerWaalsContact O-CG 3.26Å; V1225-K1229 WeakPolarHBondContact O-CG 3.22Å; V1225-K1229 PolarHBondContact O-N 3.31Å
1226E76.8Confident81.7Confident123 Ų12344 Ų4458%0.57523%0.226SC*.Hα-helixtrans-70-41.2-179.9-69.9-54.7128.500113L1224 Q1228 K1229 T1230L1224-E1226 PolarHBondContact O-N 3.28Å; E1226-Q1228 VanDerWaalsContact C-N 3.33Å; E1226-K1229 PolarHBondContact O-N 3.45Å; E1226-K1229 IonicContact OE1-NZ 2.78Å; E1226-K1229 PolarHBondContact OE1-NZ 3.07Å; E1226-T1230 PolarHBondContact O-N 3.11Å; E1226-T1230 VanDerWaalsContact O-N 3.13Å; E1226-T1230 PolarHBondContact O-OG1 3.4Å
1227V79.1Confident82Confident58 Ų5846 Ų4635%0.35224%0.242SC..Hα-helixtrans-67.1-40.5174.5-179.60000109.8L1219 L1224 T1230 L1231L1219-V1227 HydrophobicContact CD1-CG1 4.5Å; L1219-V1227 HydrophobicContact CD2-CB 4.2Å; L1219-V1227 HydrophobicContact CD2-CG1 3.92Å; L1224-V1227 PolarHBondContact O-N 2.77Å; V1227-T1230 PolarHBondContact O-N 2.76Å; V1227-L1231 HydrophobicContact CG1-CD1 3.92Å; V1227-L1231 WeakPolarHBondContact O-CB 3.48Å; V1227-L1231 PolarHBondContact O-N 3.02Å
1228Q83.2Confident82.4Confident9 Ų951.1 Ų51.14%0.04226%0.263CS..Hα-helixtrans-57.5-50.5174.1-168.6-91.68.600111.6V1216 L1219 L1224 V1225 E1226 T1230 L1231 V1232 R1291V1216-Q1228 HydrophobicContact CG1-CG 4.07Å; L1219-Q1228 HydrophobicContact CB-CB 3.88Å; L1219-Q1228 HydrophobicContact CB-CG 4Å; L1219-Q1228 HydrophobicContact CD1-CB 4.45Å; L1224-Q1228 WeakPolarHBondContact O-CB 3.48Å; L1224-Q1228 PolarHBondContact O-N 3.43Å; V1225-Q1228 WeakPolarHBondContact O-CB 3.34Å; V1225-Q1228 PolarHBondContact O-N 3.16Å; E1226-Q1228 VanDerWaalsContact C-N 3.33Å; Q1228-T1230 VanDerWaalsContact C-N 3.31Å; Q1228-T1230 PolarHBondContact O-N 2.89Å; Q1228-L1231 PolarHBondContact O-N 3.47Å; Q1228-V1232 HydrophobicContact CG-CG2 4.5Å; Q1228-V1232 WeakPolarHBondContact O-CB 3.48Å; Q1228-V1232 WeakPolarHBondContact O-CG2 3.44Å; Q1228-V1232 PolarHBondContact O-N 3.32Å; Q1228-R1291 VanDerWaalsContact OE1-CZ 3.32Å
1229K83.5Confident83.1Confident83 Ų8353.4 Ų53.436%0.36127%0.273SS..Hα-helixtrans-57-46178.5-76.6168.2-177.5166.40111.2V1225 E1226 V1232 W1233V1225-K1229 HydrophobicContact CG1-CD 4.24Å; V1225-K1229 HydrophobicContact CG1-CG 4.45Å; V1225-K1229 WeakPolarHBondContact O-CB 3.48Å; V1225-K1229 VanDerWaalsContact O-CG 3.26Å; V1225-K1229 WeakPolarHBondContact O-CG 3.22Å; V1225-K1229 PolarHBondContact O-N 3.31Å; E1226-K1229 PolarHBondContact O-N 3.45Å; E1226-K1229 IonicContact OE1-NZ 2.78Å; E1226-K1229 PolarHBondContact OE1-NZ 3.07Å; K1229-V1232 PolarHBondContact O-N 3.43Å; K1229-W1233 PolarHBondContact O-N 2.77Å
1230T85.3Confident83.7Confident88 Ų8853.4 Ų53.454%0.5427%0.273SS..Hα-helixtrans-64.2-48.1-179.4-550000111.7E1226 V1227 Q1228 V1232 W1233 V1234E1226-T1230 PolarHBondContact O-N 3.11Å; E1226-T1230 VanDerWaalsContact O-N 3.13Å; E1226-T1230 PolarHBondContact O-OG1 3.4Å; V1227-T1230 PolarHBondContact O-N 2.76Å; Q1228-T1230 VanDerWaalsContact C-N 3.31Å; Q1228-T1230 PolarHBondContact O-N 2.89Å; T1230-V1232 PolarHBondContact O-N 3.32Å; T1230-W1233 WeakPolarHBondContact O-CB 3.42Å; T1230-W1233 PolarHBondContact O-N 3.14Å; T1230-V1234 PolarHBondContact O-N 2.64Å; T1230-V1234 VanDerWaalsContact O-N 3.15Å
1231L85.7Confident84.5Confident49 Ų4951.9 Ų51.926%0.25727%0.265SS..Hα-helixtrans-67.3-35.3179.9-78171.1000112.7L1219 V1227 Q1228 W1233 V1234 F1235L1219-L1231 HydrophobicContact CD1-CD1 3.52Å; V1227-L1231 HydrophobicContact CG1-CD1 3.92Å; V1227-L1231 WeakPolarHBondContact O-CB 3.48Å; V1227-L1231 PolarHBondContact O-N 3.02Å; Q1228-L1231 PolarHBondContact O-N 3.47Å; L1231-W1233 VanDerWaalsContact C-N 3.28Å; L1231-W1233 PolarHBondContact O-N 2.96Å; L1231-V1234 PolarHBondContact O-N 3.45Å; L1231-F1235 HydrophobicContact CB-CD2 4.4Å; L1231-F1235 HydrophobicContact CB-CE2 4.04Å; L1231-F1235 HydrophobicContact CB-CZ 4.37Å; L1231-F1235 HydrophobicContact CD2-CE1 4.23Å; L1231-F1235 HydrophobicContact CD2-CE2 4.43Å; L1231-F1235 HydrophobicContact CD2-CZ 3.9Å; L1231-F1235 WeakPolarHBondContact O-CB 3.49Å; L1231-F1235 WeakPolarHBondContact O-CD2 3.41Å; L1231-F1235 VanDerWaalsContact O-CG 3.26Å; L1231-F1235 WeakPolarHBondContact O-CG 3.49Å; L1231-F1235 PolarHBondContact O-N 2.99Å
1232V88.9Confident85.6Confident1 Ų150.3 Ų50.31%0.00626%0.257CS..Hα-helixtrans-59.6-41.5173.8169.20000110.7V1216 Q1228 K1229 T1230 M1236 F1242V1216-V1232 HydrophobicContact CB-CG2 4.46Å; V1216-V1232 HydrophobicContact CG1-CG2 3.77Å; V1216-V1232 HydrophobicContact CG2-CG2 3.74Å; Q1228-V1232 HydrophobicContact CG-CG2 4.5Å; Q1228-V1232 WeakPolarHBondContact O-CB 3.48Å; Q1228-V1232 WeakPolarHBondContact O-CG2 3.44Å; Q1228-V1232 PolarHBondContact O-N 3.32Å; K1229-V1232 PolarHBondContact O-N 3.43Å; T1230-V1232 PolarHBondContact O-N 3.32Å; V1232-M1236 WeakPolarHBondContact O-CB 3.14Å; V1232-M1236 PolarHBondContact O-N 3.01Å; V1232-F1242 HydrophobicContact CB-CZ 4.33Å; V1232-F1242 HydrophobicContact CG1-CE1 4.16Å; V1232-F1242 HydrophobicContact CG1-CZ 4.12Å; V1232-F1242 HydrophobicContact CG2-CZ 4.11Å
1233W90.4Very high86.6Confident117 Ų11749.3 Ų49.344%0.44325%0.252SS..Hα-helixtrans-63.1-44.3174.8-90102.2000112.7K1229 T1230 L1231 M1236 A1237 W1289 F1300K1229-W1233 PolarHBondContact O-N 2.77Å; T1230-W1233 WeakPolarHBondContact O-CB 3.42Å; T1230-W1233 PolarHBondContact O-N 3.14Å; L1231-W1233 VanDerWaalsContact C-N 3.28Å; L1231-W1233 PolarHBondContact O-N 2.96Å; W1233-M1236 HydrophobicContact CD2-CE 3.82Å; W1233-M1236 HydrophobicContact CE3-CE 3.55Å; W1233-M1236 HydrophobicContact CG-CE 4.44Å; W1233-M1236 HydrophobicContact CH2-CE 4.4Å; W1233-M1236 HydrophobicContact CZ3-CE 3.87Å; W1233-A1237 WeakPolarHBondContact O-CB 3.16Å; W1233-A1237 PolarHBondContact O-N 2.62Å; W1233-W1289 HydrophobicContact CH2-CZ2 4Å; W1233-F1300 HydrophobicContact CE3-CE2 4.25Å; W1233-F1300 HydrophobicContact CE3-CZ 4.11Å; W1233-F1300 AromaticContact CZ3-CE2 3.73Å; W1233-F1300 HydrophobicContact CZ3-CE2 3.73Å; W1233-F1300 AromaticContact CZ3-CZ 3.72Å; W1233-F1300 HydrophobicContact CZ3-CZ 3.72Å
1234V89.7Confident87.8Confident63 Ų6344.1 Ų44.138%0.38222%0.224SC..Hα-helixtrans-62.9-52.1177.5175.30000110.8T1230 L1231 M1236 A1237 F1238T1230-V1234 PolarHBondContact O-N 2.64Å; T1230-V1234 VanDerWaalsContact O-N 3.15Å; L1231-V1234 PolarHBondContact O-N 3.45Å; V1234-M1236 VanDerWaalsContact C-N 3.33Å; V1234-M1236 PolarHBondContact O-N 3Å; V1234-A1237 PolarHBondContact O-N 2.87Å; V1234-A1237 VanDerWaalsContact O-N 3.15Å; V1234-F1238 HydrophobicContact CG1-CD2 3.99Å; V1234-F1238 HydrophobicContact CG1-CE2 4.17Å; V1234-F1238 VanDerWaalsContact O-CD2 3.26Å; V1234-F1238 WeakPolarHBondContact O-CD2 3.49Å; V1234-F1238 PolarHBondContact O-N 3.47Å
1235F92.8Very high88.5Confident31 Ų3142.6 Ų42.614%0.13622%0.217CC..Hα-helixtrans-64.8-37.8-178.7-62.2-25.1000112.2T1212 T1215 V1216 L1231 A1237 F1238 F1239 F1242T1212-F1235 HydrophobicContact CG2-CB 4.4Å; T1212-F1235 HydrophobicContact CG2-CD1 3.91Å; T1212-F1235 HydrophobicContact CG2-CD2 3.91Å; T1212-F1235 HydrophobicContact CG2-CE1 4.1Å; T1212-F1235 HydrophobicContact CG2-CE2 4.09Å; T1212-F1235 HydrophobicContact CG2-CG 3.82Å; T1212-F1235 HydrophobicContact CG2-CZ 4.18Å; T1215-F1235 HydrophobicContact CG2-CE2 4.45Å; V1216-F1235 HydrophobicContact CG2-CD2 4.1Å; V1216-F1235 HydrophobicContact CG2-CE2 4.28Å; L1231-F1235 HydrophobicContact CB-CD2 4.4Å; L1231-F1235 HydrophobicContact CB-CE2 4.04Å; L1231-F1235 HydrophobicContact CB-CZ 4.37Å; L1231-F1235 HydrophobicContact CD2-CE1 4.23Å; L1231-F1235 HydrophobicContact CD2-CE2 4.43Å; L1231-F1235 HydrophobicContact CD2-CZ 3.9Å; L1231-F1235 WeakPolarHBondContact O-CB 3.49Å; L1231-F1235 WeakPolarHBondContact O-CD2 3.41Å; L1231-F1235 VanDerWaalsContact O-CG 3.26Å; L1231-F1235 WeakPolarHBondContact O-CG 3.49Å; L1231-F1235 PolarHBondContact O-N 2.99Å; F1235-A1237 VanDerWaalsContact C-N 3.29Å; F1235-A1237 PolarHBondContact O-N 3.29Å; F1235-F1238 PolarHBondContact O-N 2.92Å; F1235-F1239 HydrophobicContact CB-CD2 4.29Å; F1235-F1239 HydrophobicContact CD1-CD2 4.14Å; F1235-F1239 HydrophobicContact CD1-CE2 4.03Å; F1235-F1239 WeakPolarHBondContact O-CB 3.28Å; F1235-F1239 PolarHBondContact O-N 3.32Å; F1235-F1242 VanDerWaalsContact C-CD1 3.5Å; F1235-F1242 HydrophobicContact CB-CB 4.35Å; F1235-F1242 HydrophobicContact CB-CD1 3.52Å; F1235-F1242 HydrophobicContact CB-CD2 4.1Å; F1235-F1242 HydrophobicContact CB-CE1 3.73Å; F1235-F1242 HydrophobicContact CB-CE2 4.29Å; F1235-F1242 HydrophobicContact CB-CG 3.7Å; F1235-F1242 HydrophobicContact CB-CZ 4.11Å; F1235-F1242 HydrophobicContact CD2-CD2 4.48Å; F1235-F1242 HydrophobicContact CD2-CE2 4.28Å
1236M93.2Very high89.2Confident0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-63.4-34.4174.6-178.2175.358.800112.2V1232 W1233 V1234 F1242 R1296 Y1297 F1300 H1304V1232-M1236 WeakPolarHBondContact O-CB 3.14Å; V1232-M1236 PolarHBondContact O-N 3.01Å; W1233-M1236 HydrophobicContact CD2-CE 3.82Å; W1233-M1236 HydrophobicContact CE3-CE 3.55Å; W1233-M1236 HydrophobicContact CG-CE 4.44Å; W1233-M1236 HydrophobicContact CH2-CE 4.4Å; W1233-M1236 HydrophobicContact CZ3-CE 3.87Å; V1234-M1236 VanDerWaalsContact C-N 3.33Å; V1234-M1236 PolarHBondContact O-N 3Å; M1236-F1242 HydrophobicContact CB-CD1 4.29Å; M1236-F1242 HydrophobicContact CB-CE1 4.13Å; M1236-R1296 HydrophobicContact CE-CB 4.49Å; M1236-R1296 HydrophobicContact CE-CG 4.46Å; M1236-R1296 HydrophobicContact SD-CB 4.04Å; M1236-R1296 HydrophobicContact SD-CG 3.73Å; M1236-Y1297 HydrophobicContact CG-CD1 3.97Å; M1236-Y1297 HydrophobicContact CG-CE1 4.25Å; M1236-Y1297 HydrophobicContact SD-CD1 3.62Å; M1236-Y1297 HydrophobicContact SD-CE1 3.75Å; M1236-Y1297 HydrophobicContact SD-CG 4.41Å; M1236-F1300 HydrophobicContact CE-CD2 3.61Å; M1236-F1300 HydrophobicContact CE-CE2 3.33Å; M1236-F1300 HydrophobicContact CE-CZ 4.08Å; M1236-F1300 HydrophobicContact CG-CB 3.92Å; M1236-F1300 HydrophobicContact CG-CD1 4.34Å; M1236-F1300 HydrophobicContact CG-CD2 3.55Å; M1236-F1300 HydrophobicContact CG-CE2 4.15Å; M1236-F1300 HydrophobicContact CG-CG 3.67Å; M1236-F1300 HydrophobicContact SD-CD2 3.5Å; M1236-F1300 VanDerWaalsContact SD-CD2 3.5Å; M1236-F1300 HydrophobicContact SD-CE2 3.92Å; M1236-F1300 HydrophobicContact SD-CG 4.24Å; M1236-H1304 PolarHBondContact O-CE1 2.83Å; M1236-H1304 VanDerWaalsContact O-CE1 3.23Å
1237A91.5Very high89.9Confident45 Ų4535.6 Ų35.637%0.37218%0.181SC..Hα-helixtrans-75.6-28.2179.900000114.2W1233 V1234 F1235 F1300 H1304W1233-A1237 WeakPolarHBondContact O-CB 3.16Å; W1233-A1237 PolarHBondContact O-N 2.62Å; V1234-A1237 PolarHBondContact O-N 2.87Å; V1234-A1237 VanDerWaalsContact O-N 3.15Å; F1235-A1237 VanDerWaalsContact C-N 3.29Å; F1235-A1237 PolarHBondContact O-N 3.29Å; A1237-F1300 HydrophobicContact CB-CE1 3.97Å; A1237-H1304 PolarHBondContact O-NE2 2.83Å
1238F89.2Confident90.5Very high132 Ų13233.1 Ų33.158%0.57917%0.166SC*.Hα-helixtrans-106.4-26.8-174.4-72.6-71.1000114.7V1234 F1235V1234-F1238 HydrophobicContact CG1-CD2 3.99Å; V1234-F1238 HydrophobicContact CG1-CE2 4.17Å; V1234-F1238 VanDerWaalsContact O-CD2 3.26Å; V1234-F1238 WeakPolarHBondContact O-CD2 3.49Å; V1234-F1238 PolarHBondContact O-N 3.47Å; F1235-F1238 PolarHBondContact O-N 2.92Å
1239F93Very high90.6Very high49 Ų4933.1 Ų33.122%0.21517%0.167CC..  trans-125.7106.1-166.3-55.9-52.4000112.6F1204 T1212 F1235 N1241 F1242 C1243F1204-F1239 HydrophobicContact CE2-CE1 4.21Å; F1204-F1239 HydrophobicContact CZ-CD1 4.12Å; F1204-F1239 AromaticContact CZ-CE1 3.94Å; F1204-F1239 HydrophobicContact CZ-CE1 3.94Å; T1212-F1239 HydrophobicContact CG2-CD2 4.07Å; T1212-F1239 HydrophobicContact CG2-CE2 4.35Å; F1235-F1239 HydrophobicContact CB-CD2 4.29Å; F1235-F1239 HydrophobicContact CD1-CD2 4.14Å; F1235-F1239 HydrophobicContact CD1-CE2 4.03Å; F1235-F1239 WeakPolarHBondContact O-CB 3.28Å; F1235-F1239 PolarHBondContact O-N 3.32Å; F1239-N1241 VanDerWaalsContact C-N 3.25Å; F1239-N1241 PolarHBondContact O-N 3.41Å; F1239-F1242 HydrophobicContact CB-CB 3.96Å; F1239-F1242 WeakPolarHBondContact O-CB 3.24Å; F1239-F1242 PolarHBondContact O-N 3.47Å; F1239-C1243 PolarHBondContact O-N 2.67Å
1240P93.4Very high90.7Very high1 Ų129.8 Ų29.81%0.00616%0.155CC..Hα-helixtrans-66.3-27176.225.6-33.6000112.8A1179 T1180 M1183 C1243 L1244 L1301A1179-P1240 HydrophobicContact CB-CB 4.05Å; T1180-P1240 HydrophobicContact CG2-CB 4.09Å; T1180-P1240 HydrophobicContact CG2-CG 4.05Å; M1183-P1240 HydrophobicContact CE-CG 3.8Å; M1183-P1240 HydrophobicContact SD-CG 3.55Å; M1183-P1240 VanDerWaalsContact SD-CG 3.55Å; P1240-C1243 WeakPolarHBondContact O-CB 3.43Å; P1240-C1243 PolarHBondContact O-N 3.22Å; P1240-L1244 PolarHBondContact O-N 2.97Å; P1240-L1301 HydrophobicContact CB-CD2 3.73Å
1241N92.9Very high90.8Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-66.6-37175.7-60.7-42.7000112.5Y1176 N1205 S1208 F1239 C1243 L1244 G1245Y1176-N1241 WeakPolarHBondContact CE2-OD1 3.47Å; Y1176-N1241 PolarHBondContact OH-OD1 2.96Å; N1205-N1241 VanDerWaalsContact CA-ND2 3.32Å; N1205-N1241 WeakPolarHBondContact CA-ND2 3.25Å; N1205-N1241 WeakPolarHBondContact CB-ND2 3.09Å; N1205-N1241 PolarHBondContact OD1-ND2 3.11Å; S1208-N1241 PolarHBondContact OG-ND2 2.92Å; F1239-N1241 VanDerWaalsContact C-N 3.25Å; F1239-N1241 PolarHBondContact O-N 3.41Å; N1241-C1243 VanDerWaalsContact C-N 3.33Å; N1241-L1244 PolarHBondContact O-N 3.44Å; N1241-G1245 PolarHBondContact O-N 3.31Å
1242F93.8Very high90.7Very high0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-63.2-42.5173.1171-104.3000110.9T1212 V1216 V1232 F1235 M1236 F1239 L1244 G1245 Q1246 Y1297T1212-F1242 WeakPolarHBondContact OG1-CD2 3.28Å; V1216-F1242 HydrophobicContact CB-CE2 4.48Å; V1216-F1242 HydrophobicContact CG2-CE2 3.83Å; V1216-F1242 HydrophobicContact CG2-CZ 4.07Å; V1232-F1242 HydrophobicContact CB-CZ 4.33Å; V1232-F1242 HydrophobicContact CG1-CE1 4.16Å; V1232-F1242 HydrophobicContact CG1-CZ 4.12Å; V1232-F1242 HydrophobicContact CG2-CZ 4.11Å; F1235-F1242 VanDerWaalsContact C-CD1 3.5Å; F1235-F1242 HydrophobicContact CB-CB 4.35Å; F1235-F1242 HydrophobicContact CB-CD1 3.52Å; F1235-F1242 HydrophobicContact CB-CD2 4.1Å; F1235-F1242 HydrophobicContact CB-CE1 3.73Å; F1235-F1242 HydrophobicContact CB-CE2 4.29Å; F1235-F1242 HydrophobicContact CB-CG 3.7Å; F1235-F1242 HydrophobicContact CB-CZ 4.11Å; F1235-F1242 HydrophobicContact CD2-CD2 4.48Å; F1235-F1242 HydrophobicContact CD2-CE2 4.28Å; M1236-F1242 HydrophobicContact CB-CD1 4.29Å; M1236-F1242 HydrophobicContact CB-CE1 4.13Å; F1239-F1242 HydrophobicContact CB-CB 3.96Å; F1239-F1242 WeakPolarHBondContact O-CB 3.24Å; F1239-F1242 PolarHBondContact O-N 3.47Å; F1242-L1244 VanDerWaalsContact C-N 3.3Å; F1242-L1244 PolarHBondContact O-N 2.9Å; F1242-G1245 PolarHBondContact O-N 3.26Å; F1242-Q1246 HydrophobicContact CD2-CB 4.46Å; F1242-Q1246 HydrophobicContact CE1-CB 4.24Å; F1242-Q1246 HydrophobicContact CE1-CG 4.4Å; F1242-Q1246 HydrophobicContact CE2-CB 4.02Å; F1242-Q1246 HydrophobicContact CE2-CG 4.32Å; F1242-Q1246 HydrophobicContact CZ-CB 3.9Å; F1242-Q1246 HydrophobicContact CZ-CG 3.88Å; F1242-Q1246 VanDerWaalsContact O-CB 3.28Å; F1242-Q1246 WeakPolarHBondContact O-CB 3.23Å; F1242-Q1246 PolarHBondContact O-N 2.9Å; F1242-Y1297 HydrophobicContact CE1-CE1 4.37Å
1243C94.4Very high90.3Very high0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-58.3-40.7178.3-62.60000112.2F1239 P1240 N1241 A1247 Y1297 L1301F1239-C1243 PolarHBondContact O-N 2.67Å; P1240-C1243 WeakPolarHBondContact O-CB 3.43Å; P1240-C1243 PolarHBondContact O-N 3.22Å; N1241-C1243 VanDerWaalsContact C-N 3.33Å; C1243-A1247 WeakPolarHBondContact O-CB 3.32Å; C1243-A1247 PolarHBondContact O-N 2.81Å; C1243-Y1297 HydrophobicContact CB-CD1 4.3Å; C1243-L1301 HydrophobicContact CB-CD1 4.23Å; C1243-L1301 HydrophobicContact CB-CD2 3.85Å; C1243-L1301 HydrophobicContact CB-CG 3.86Å
1244L94.3Very high89.9Confident0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-62.2-54.4176.2176.965.7000111.6L1092 V1093 F1096 L1172 L1173 Y1176 P1240 N1241 F1242 A1247 V1248L1092-L1244 HydrophobicContact CD2-CD1 4.2Å; L1092-L1244 HydrophobicContact CD2-CG 4.35Å; V1093-L1244 HydrophobicContact CG2-CD2 4.48Å; V1093-L1244 HydrophobicContact CG2-CG 4.47Å; F1096-L1244 HydrophobicContact CB-CD2 4.2Å; F1096-L1244 HydrophobicContact CD2-CD2 3.75Å; F1096-L1244 HydrophobicContact CE2-CD2 4.38Å; F1096-L1244 HydrophobicContact CG-CD2 4.1Å; L1172-L1244 HydrophobicContact CD2-CD1 4.27Å; L1172-L1244 HydrophobicContact CG-CD1 4.23Å; L1173-L1244 HydrophobicContact CD2-CD1 4.03Å; Y1176-L1244 HydrophobicContact CD1-CD2 4.02Å; Y1176-L1244 HydrophobicContact CD2-CB 3.81Å; Y1176-L1244 HydrophobicContact CD2-CD2 4.22Å; Y1176-L1244 HydrophobicContact CD2-CG 4.48Å; Y1176-L1244 HydrophobicContact CE1-CD2 3.83Å; Y1176-L1244 HydrophobicContact CE2-CB 3.96Å; Y1176-L1244 HydrophobicContact CE2-CD2 4.05Å; Y1176-L1244 HydrophobicContact CG-CB 4.32Å; Y1176-L1244 HydrophobicContact CG-CD1 4.45Å; Y1176-L1244 HydrophobicContact CG-CD2 4.19Å; P1240-L1244 PolarHBondContact O-N 2.97Å; N1241-L1244 PolarHBondContact O-N 3.44Å; F1242-L1244 VanDerWaalsContact C-N 3.3Å; F1242-L1244 PolarHBondContact O-N 2.9Å; L1244-A1247 PolarHBondContact O-N 2.66Å; L1244-V1248 HydrophobicContact CD1-CG2 4.34Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.48Å; L1244-V1248 PolarHBondContact O-N 2.91Å
1245G91.3Very high89.4Confident1 Ų119.8 Ų19.81%0.0110%0.1CC..Hα-helixtrans-60.6-48.9-177.800000112.1N1241 F1242 V1248 S1249N1241-G1245 PolarHBondContact O-N 3.31Å; F1242-G1245 PolarHBondContact O-N 3.26Å; G1245-V1248 PolarHBondContact O-N 2.74Å; G1245-S1249 WeakPolarHBondContact O-CB 3.41Å; G1245-S1249 PolarHBondContact O-N 3.2Å
1246Q91Very high88.5Confident21 Ų2118.9 Ų18.910%0.09810%0.096CC..Hα-helixtrans-69.8-33.5-178.4-169.164.941.500112.8F1242 A1250 Y1297F1242-Q1246 HydrophobicContact CD2-CB 4.46Å; F1242-Q1246 HydrophobicContact CE1-CB 4.24Å; F1242-Q1246 HydrophobicContact CE1-CG 4.4Å; F1242-Q1246 HydrophobicContact CE2-CB 4.02Å; F1242-Q1246 HydrophobicContact CE2-CG 4.32Å; F1242-Q1246 HydrophobicContact CZ-CB 3.9Å; F1242-Q1246 HydrophobicContact CZ-CG 3.88Å; F1242-Q1246 VanDerWaalsContact O-CB 3.28Å; F1242-Q1246 WeakPolarHBondContact O-CB 3.23Å; F1242-Q1246 PolarHBondContact O-N 2.9Å; Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.47Å; Q1246-Y1297 HydrophobicContact CB-CE1 4.03Å; Q1246-Y1297 HydrophobicContact CG-CE1 3.78Å; Q1246-Y1297 HydrophobicContact CG-CE2 4.29Å; Q1246-Y1297 VanDerWaalsContact CG-CZ 3.46Å; Q1246-Y1297 WeakPolarHBondContact CG-OH 2.77Å
1247A91.7Very high87.5Confident0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-69.3-42.6175.700000111.5L1172 C1243 L1244 Y1251 I1294 Y1297L1172-A1247 HydrophobicContact CD1-CB 3.68Å; L1172-A1247 HydrophobicContact CD2-CB 3.76Å; L1172-A1247 HydrophobicContact CG-CB 4.4Å; C1243-A1247 WeakPolarHBondContact O-CB 3.32Å; C1243-A1247 PolarHBondContact O-N 2.81Å; L1244-A1247 PolarHBondContact O-N 2.66Å; A1247-Y1251 WeakPolarHBondContact O-CB 3.35Å; A1247-Y1251 PolarHBondContact O-N 3.43Å; A1247-I1294 HydrophobicContact CB-CB 4.48Å; A1247-I1294 HydrophobicContact CB-CG2 4.26Å; A1247-I1294 WeakPolarHBondContact O-CG2 3.38Å; A1247-Y1297 HydrophobicContact CB-CD2 3.97Å; A1247-Y1297 HydrophobicContact CB-CG 4.07Å
1248V90.6Very high86.8Confident5 Ų517.1 Ų17.13%0.038%0.081CC..Hα-helixtrans-64.5-43.6175.5172.10000111.1I1088 A1089 L1092 L1172 L1244 G1245 Y1251 Y1252I1088-V1248 HydrophobicContact CG2-CG1 4.22Å; A1089-V1248 HydrophobicContact CB-CG1 4.43Å; L1092-V1248 HydrophobicContact CD2-CB 4.43Å; L1092-V1248 HydrophobicContact CD2-CG1 4.39Å; L1092-V1248 HydrophobicContact CD2-CG2 3.68Å; L1172-V1248 HydrophobicContact CD2-CG2 3.7Å; L1244-V1248 HydrophobicContact CD1-CG2 4.34Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.48Å; L1244-V1248 PolarHBondContact O-N 2.91Å; G1245-V1248 PolarHBondContact O-N 2.74Å; V1248-Y1251 PolarHBondContact O-N 3.45Å; V1248-Y1252 VanDerWaalsContact O-CB 3.29Å; V1248-Y1252 WeakPolarHBondContact O-CB 3.22Å; V1248-Y1252 PolarHBondContact O-N 3.48Å
1249S86.6Confident85.8Confident9 Ų912.3 Ų12.36%0.0636%0.064CC..Hα-helixtrans-54.8-59.9173.6-166.70000110.4E1085 G1245 Y1251 Y1252 F1253E1085-S1249 VanDerWaalsContact CD-O 3.31Å; E1085-S1249 VanDerWaalsContact OE1-CA 3.27Å; E1085-S1249 WeakPolarHBondContact OE1-CA 3.48Å; E1085-S1249 VanDerWaalsContact OE1-CB 3.31Å; E1085-S1249 WeakPolarHBondContact OE1-CB 3.27Å; E1085-S1249 PolarHBondContact OE1-OG 2.98Å; G1245-S1249 WeakPolarHBondContact O-CB 3.41Å; G1245-S1249 PolarHBondContact O-N 3.2Å; S1249-Y1251 VanDerWaalsContact C-N 3.3Å; S1249-Y1251 PolarHBondContact O-N 2.92Å; S1249-Y1252 PolarHBondContact O-N 3.28Å; S1249-F1253 WeakPolarHBondContact O-CB 3.31Å; S1249-F1253 PolarHBondContact O-N 3.4Å
1250A85.2Confident84.4Confident13 Ų1310.6 Ų10.611%0.1076%0.057CC..Hα-helixtrans-60-36.318000000113.6Q1246 N1254 I1294Q1246-A1250 WeakPolarHBondContact O-CB 3.44Å; Q1246-A1250 PolarHBondContact O-N 3.47Å; A1250-N1254 VanDerWaalsContact O-CB 3.22Å; A1250-N1254 WeakPolarHBondContact O-CB 3.37Å; A1250-N1254 PolarHBondContact O-N 3.06Å; A1250-I1294 HydrophobicContact CB-CG2 4.37Å
1251Y87.5Confident83.2Confident10 Ų1010.5 Ų10.54%0.0396%0.057CC..Hα-helixtrans-67.9-46.5178-166.4-85.2000111.7L1160 R1165 H1168 I1169 A1247 V1248 S1249 N1254 F1255 A1286 I1294L1160-Y1251 HydrophobicContact CD2-CD1 4.07Å; R1165-Y1251 HydrophobicContact CB-CE1 4.42Å; R1165-Y1251 WeakPolarHBondContact CB-OH 3.06Å; R1165-Y1251 VanDerWaalsContact CG-OH 3.27Å; R1165-Y1251 WeakPolarHBondContact CG-OH 3.39Å; H1168-Y1251 HydrophobicContact CB-CE2 3.72Å; H1168-Y1251 AromaticContact ND1-CZ 3.95Å; H1168-Y1251 PolarHBondContact ND1-OH 3.02Å; I1169-Y1251 HydrophobicContact CD1-CD1 3.84Å; I1169-Y1251 HydrophobicContact CD1-CE1 4.01Å; I1169-Y1251 HydrophobicContact CD1-CG 4.13Å; I1169-Y1251 HydrophobicContact CG1-CE1 4.42Å; A1247-Y1251 WeakPolarHBondContact O-CB 3.35Å; A1247-Y1251 PolarHBondContact O-N 3.43Å; V1248-Y1251 PolarHBondContact O-N 3.45Å; S1249-Y1251 VanDerWaalsContact C-N 3.3Å; S1249-Y1251 PolarHBondContact O-N 2.92Å; Y1251-N1254 PolarHBondContact O-N 3.4Å; Y1251-F1255 PolarHBondContact O-N 2.84Å; Y1251-A1286 HydrophobicContact CD2-CB 4.23Å; Y1251-A1286 HydrophobicContact CE2-CB 3.63Å; Y1251-I1294 HydrophobicContact CD2-CD1 3.8Å; Y1251-I1294 HydrophobicContact CD2-CG1 4.22Å; Y1251-I1294 HydrophobicContact CD2-CG2 4.22Å; Y1251-I1294 HydrophobicContact CE2-CD1 4.26Å
1252Y84.3Confident82.1Confident11 Ų1114.8 Ų14.84%0.0438%0.08CC..Hα-helixtrans-63.1-46.1177.1-170.3-77.4000110.4T1084 E1085 I1088 V1159 L1160 V1248 S1249 F1255 F1256T1084-Y1252 PolarHBondContact OG1-OH 3.22Å; E1085-Y1252 HydrophobicContact CB-CD1 3.65Å; E1085-Y1252 HydrophobicContact CB-CE1 4.13Å; E1085-Y1252 HydrophobicContact CB-CG 4.33Å; E1085-Y1252 HydrophobicContact CG-CD1 4.06Å; E1085-Y1252 HydrophobicContact CG-CG 4.4Å; I1088-Y1252 HydrophobicContact CD1-CD2 4.21Å; I1088-Y1252 HydrophobicContact CD1-CE2 3.74Å; V1159-Y1252 HydrophobicContact CB-CD2 4.12Å; V1159-Y1252 HydrophobicContact CB-CE2 3.92Å; V1159-Y1252 HydrophobicContact CG1-CD1 4.48Å; V1159-Y1252 HydrophobicContact CG1-CD2 3.36Å; V1159-Y1252 HydrophobicContact CG1-CE2 3.63Å; V1159-Y1252 HydrophobicContact CG1-CG 3.83Å; V1159-Y1252 HydrophobicContact CG2-CE2 3.97Å; L1160-Y1252 HydrophobicContact CD2-CD2 4.42Å; L1160-Y1252 HydrophobicContact CG-CD2 4.46Å; V1248-Y1252 VanDerWaalsContact O-CB 3.29Å; V1248-Y1252 WeakPolarHBondContact O-CB 3.22Å; V1248-Y1252 PolarHBondContact O-N 3.48Å; S1249-Y1252 PolarHBondContact O-N 3.28Å; Y1252-F1255 PolarHBondContact O-N 3.38Å; Y1252-F1256 WeakPolarHBondContact O-CB 3.43Å; Y1252-F1256 PolarHBondContact O-N 2.96Å
1253F79.4Confident80.5Confident29 Ų2917.1 Ų17.113%0.12710%0.095CC..Hα-helixtrans-60.7-44.3176.6-169.5-111.3000112.9Q183 E1085 S1249 F1256 I1257Q183-F1253 HydrophobicContact CG-CZ 4.46Å; E1085-F1253 WeakPolarHBondContact OE2-CB 3.13Å; E1085-F1253 VanDerWaalsContact OE2-CD2 3.28Å; E1085-F1253 WeakPolarHBondContact OE2-CD2 3.43Å; S1249-F1253 WeakPolarHBondContact O-CB 3.31Å; S1249-F1253 PolarHBondContact O-N 3.4Å; F1253-F1256 WeakPolarHBondContact O-CB 3.25Å; F1253-F1256 PolarHBondContact O-N 2.91Å; F1253-I1257 HydrophobicContact CD1-CD1 3.73Å; F1253-I1257 HydrophobicContact CE1-CD1 3.22Å; F1253-I1257 HydrophobicContact CE1-CG1 4.28Å; F1253-I1257 HydrophobicContact CE2-CD1 4.22Å; F1253-I1257 HydrophobicContact CG-CD1 4.43Å; F1253-I1257 HydrophobicContact CZ-CD1 3.51Å; F1253-I1257 HydrophobicContact CZ-CG1 4.29Å; F1253-I1257 WeakPolarHBondContact O-CG1 2.92Å; F1253-I1257 PolarHBondContact O-N 2.96Å
1254N82.4Confident79.1Confident12 Ų1219.4 Ų19.46%0.06411%0.107CC..Hα-helixtrans-63.6-44.5178.218062.1000111.8A1250 Y1251 F1256 I1257 A1258 F1282 T1283 P1292A1250-N1254 VanDerWaalsContact O-CB 3.22Å; A1250-N1254 WeakPolarHBondContact O-CB 3.37Å; A1250-N1254 PolarHBondContact O-N 3.06Å; Y1251-N1254 PolarHBondContact O-N 3.4Å; N1254-F1256 VanDerWaalsContact C-N 3.32Å; N1254-I1257 PolarHBondContact O-N 3.45Å; N1254-A1258 VanDerWaalsContact O-CB 3.29Å; N1254-A1258 WeakPolarHBondContact O-CB 3.42Å; N1254-A1258 PolarHBondContact O-N 3.27Å; N1254-F1282 WeakPolarHBondContact OD1-CA 3.45Å; N1254-T1283 PolarHBondContact ND2-O 3.17Å; N1254-T1283 PolarHBondContact OD1-N 3.32Å; N1254-P1292 HydrophobicContact CB-CB 4.24Å; N1254-P1292 VanDerWaalsContact OD1-CG 3.29Å; N1254-P1292 WeakPolarHBondContact OD1-CG 3.21Å
1255F79Confident77.9Confident47 Ų4723.5 Ų23.521%0.20613%0.127CC..Hα-helixtrans-62.7-44.9175.6175.6-98.2000111.1V1159 Y1251 Y1252 I1257 A1258 S1259V1159-F1255 HydrophobicContact CB-CD1 3.72Å; V1159-F1255 HydrophobicContact CB-CE1 4.06Å; V1159-F1255 HydrophobicContact CG1-CB 3.99Å; V1159-F1255 HydrophobicContact CG1-CD1 3.45Å; V1159-F1255 VanDerWaalsContact CG1-CD1 3.45Å; V1159-F1255 HydrophobicContact CG1-CE1 4.29Å; V1159-F1255 HydrophobicContact CG1-CG 3.96Å; V1159-F1255 HydrophobicContact CG2-CD1 3.66Å; V1159-F1255 HydrophobicContact CG2-CE1 3.72Å; Y1251-F1255 PolarHBondContact O-N 2.84Å; Y1252-F1255 PolarHBondContact O-N 3.38Å; F1255-I1257 VanDerWaalsContact C-N 3.31Å; F1255-I1257 PolarHBondContact O-N 3.45Å; F1255-A1258 PolarHBondContact O-N 3.43Å; F1255-A1258 VanDerWaalsContact O-N 3.16Å; F1255-S1259 WeakPolarHBondContact O-CB 3.34Å; F1255-S1259 PolarHBondContact O-N 2.8Å; F1255-S1259 PolarHBondContact O-OG 3.36Å; F1255-S1259 VanDerWaalsContact O-OG 3.08Å
1256F73.2Confident76.7Confident12 Ų1226.9 Ų26.95%0.05316%0.155CC..Hα-helixtrans-55.2-46.7178.6175.4-88.1000111.9W1078 W1079 Y1252 F1253 N1254 S1259 T1260W1078-F1256 HydrophobicContact CB-CE2 4.41Å; W1078-F1256 HydrophobicContact CD2-CE2 4.17Å; W1078-F1256 AromaticContact CE3-CD2 3.47Å; W1078-F1256 HydrophobicContact CE3-CD2 3.47Å; W1078-F1256 VanDerWaalsContact CE3-CD2 3.47Å; W1078-F1256 AromaticContact CE3-CE2 3.3Å; W1078-F1256 HydrophobicContact CE3-CE2 3.3Å; W1078-F1256 AromaticContact CZ3-CD2 3.48Å; W1078-F1256 HydrophobicContact CZ3-CD2 3.48Å; W1078-F1256 VanDerWaalsContact CZ3-CD2 3.48Å; W1078-F1256 AromaticContact CZ3-CE2 3.85Å; W1078-F1256 HydrophobicContact CZ3-CE2 3.85Å; W1079-F1256 HydrophobicContact CB-CE1 4.35Å; W1079-F1256 HydrophobicContact CB-CZ 3.88Å; W1079-F1256 AromaticContact CD1-CE1 3.67Å; W1079-F1256 AromaticContact CD1-CZ 3.22Å; W1079-F1256 AromaticContact CD2-CE1 3.42Å; W1079-F1256 HydrophobicContact CD2-CE1 3.42Å; W1079-F1256 VanDerWaalsContact CD2-CE1 3.42Å; W1079-F1256 AromaticContact CD2-CZ 3.76Å; W1079-F1256 HydrophobicContact CD2-CZ 3.76Å; W1079-F1256 AromaticContact CE2-CE1 3.32Å; W1079-F1256 AromaticContact CE2-CZ 3.78Å; W1079-F1256 HydrophobicContact CE3-CE1 4.02Å; W1079-F1256 AromaticContact CG-CE1 3.6Å; W1079-F1256 HydrophobicContact CG-CE1 3.6Å; W1079-F1256 AromaticContact CG-CZ 3.36Å; W1079-F1256 HydrophobicContact CG-CZ 3.36Å; W1079-F1256 HydrophobicContact CH2-CE1 4.4Å; W1079-F1256 HydrophobicContact CZ2-CD1 4.47Å; W1079-F1256 AromaticContact CZ2-CE1 3.87Å; W1079-F1256 HydrophobicContact CZ2-CE1 3.87Å; W1079-F1256 HydrophobicContact CZ3-CE1 4.45Å; W1079-F1256 AromaticContact NE1-CE1 3.39Å; W1079-F1256 AromaticContact NE1-CZ 3.37Å; Y1252-F1256 WeakPolarHBondContact O-CB 3.43Å; Y1252-F1256 PolarHBondContact O-N 2.96Å; F1253-F1256 WeakPolarHBondContact O-CB 3.25Å; F1253-F1256 PolarHBondContact O-N 2.91Å; N1254-F1256 VanDerWaalsContact C-N 3.32Å; F1256-S1259 PolarHBondContact O-OG 3.14Å; F1256-S1259 VanDerWaalsContact O-OG 3.1Å; F1256-T1260 PolarHBondContact O-N 3.41Å; F1256-T1260 PolarHBondContact O-OG1 2.82Å
1257I72.6Confident75.2Confident0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-65.3-49.2174.2-66173.1000110.7W1079 F1253 N1254 F1255 S1259 T1260 C1261 F1275 F1282W1079-I1257 HydrophobicContact CH2-CG1 4.02Å; W1079-I1257 HydrophobicContact CZ2-CG1 4.26Å; F1253-I1257 HydrophobicContact CD1-CD1 3.73Å; F1253-I1257 HydrophobicContact CE1-CD1 3.22Å; F1253-I1257 HydrophobicContact CE1-CG1 4.28Å; F1253-I1257 HydrophobicContact CE2-CD1 4.22Å; F1253-I1257 HydrophobicContact CG-CD1 4.43Å; F1253-I1257 HydrophobicContact CZ-CD1 3.51Å; F1253-I1257 HydrophobicContact CZ-CG1 4.29Å; F1253-I1257 WeakPolarHBondContact O-CG1 2.92Å; F1253-I1257 PolarHBondContact O-N 2.96Å; N1254-I1257 PolarHBondContact O-N 3.45Å; F1255-I1257 VanDerWaalsContact C-N 3.31Å; F1255-I1257 PolarHBondContact O-N 3.45Å; I1257-S1259 PolarHBondContact O-N 3.19Å; I1257-T1260 PolarHBondContact O-N 3.25Å; I1257-T1260 VanDerWaalsContact O-N 3.14Å; I1257-C1261 VanDerWaalsContact O-CB 3.32Å; I1257-C1261 WeakPolarHBondContact O-CB 3.29Å; I1257-C1261 PolarHBondContact O-N 3.5Å; I1257-C1261 PolarHBondContact O-SG 3.13Å; I1257-C1261 VanDerWaalsContact O-SG 3.41Å; I1257-F1275 HydrophobicContact CD1-CE1 4.1Å; I1257-F1275 HydrophobicContact CD1-CZ 3.94Å; I1257-F1275 HydrophobicContact CG1-CE1 4.25Å; I1257-F1275 HydrophobicContact CG2-CE1 3.69Å; I1257-F1275 HydrophobicContact CG2-CZ 4.47Å; I1257-F1282 HydrophobicContact CB-CB 4.16Å; I1257-F1282 HydrophobicContact CG2-CB 3.7Å; I1257-F1282 HydrophobicContact CG2-CD1 3.99Å; I1257-F1282 HydrophobicContact CG2-CG 4.13Å
1258A76Confident73.9Confident7 Ų729.5 Ų29.56%0.05817%0.168CC..Hα-helixtrans-58.1-48.6-177.400000112.4N1254 F1255 T1260 C1261 D1262 F1282N1254-A1258 VanDerWaalsContact O-CB 3.29Å; N1254-A1258 WeakPolarHBondContact O-CB 3.42Å; N1254-A1258 PolarHBondContact O-N 3.27Å; F1255-A1258 PolarHBondContact O-N 3.43Å; F1255-A1258 VanDerWaalsContact O-N 3.16Å; A1258-T1260 PolarHBondContact O-N 3.41Å; A1258-C1261 PolarHBondContact O-N 2.92Å; A1258-C1261 VanDerWaalsContact O-N 3.13Å; A1258-D1262 WeakPolarHBondContact O-CB 3.47Å; A1258-D1262 VanDerWaalsContact O-CG 3.25Å; A1258-D1262 PolarHBondContact O-N 3.47Å; A1258-F1282 HydrophobicContact CB-CB 4.33Å; A1258-F1282 HydrophobicContact CB-CD2 3.53Å; A1258-F1282 HydrophobicContact CB-CE2 4.12Å; A1258-F1282 HydrophobicContact CB-CG 4.17Å
1259S69.1Low72.6Confident32 Ų3236.4 Ų36.422%0.22421%0.205CC..Hα-helixtrans-62.3-28.2179.160.70000113.1F1255 F1256 I1257 P1263F1255-S1259 WeakPolarHBondContact O-CB 3.34Å; F1255-S1259 PolarHBondContact O-N 2.8Å; F1255-S1259 PolarHBondContact O-OG 3.36Å; F1255-S1259 VanDerWaalsContact O-OG 3.08Å; F1256-S1259 PolarHBondContact O-OG 3.14Å; F1256-S1259 VanDerWaalsContact O-OG 3.1Å; I1257-S1259 PolarHBondContact O-N 3.19Å; S1259-P1263 WeakPolarHBondContact O-CD 3.35Å
1260T62.9Low71Confident12 Ų1243.9 Ų43.97%0.07424%0.237CC..Hα-helixtrans-82.7-39176.1-48.20000111.4W1079 F1256 I1257 A1258 P1263W1079-T1260 HydrophobicContact CZ2-CG2 4.05Å; W1079-T1260 PolarHBondContact NE1-OG1 3.23Å; F1256-T1260 PolarHBondContact O-N 3.41Å; F1256-T1260 PolarHBondContact O-OG1 2.82Å; I1257-T1260 PolarHBondContact O-N 3.25Å; I1257-T1260 VanDerWaalsContact O-N 3.14Å; A1258-T1260 PolarHBondContact O-N 3.41Å; T1260-P1263 WeakPolarHBondContact O-CD 3.36Å; T1260-P1263 WeakPolarHBondContact O-CG 3.34Å
1261C68.8Low69.6Low0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-78.6-29.5-176.5-73.80000113.3I1257 A1258 L1264 M1265 C1276 F1282I1257-C1261 VanDerWaalsContact O-CB 3.32Å; I1257-C1261 WeakPolarHBondContact O-CB 3.29Å; I1257-C1261 PolarHBondContact O-N 3.5Å; I1257-C1261 PolarHBondContact O-SG 3.13Å; I1257-C1261 VanDerWaalsContact O-SG 3.41Å; A1258-C1261 PolarHBondContact O-N 2.92Å; A1258-C1261 VanDerWaalsContact O-N 3.13Å; C1261-L1264 CarbonylContact O-C 3.54Å; C1261-L1264 WeakPolarHBondContact O-CA 3.03Å; C1261-L1264 WeakPolarHBondContact O-CB 3.32Å; C1261-L1264 PolarHBondContact O-N 2.94Å; C1261-M1265 WeakPolarHBondContact O-CG 3.43Å; C1261-M1265 PolarHBondContact O-N 3.36Å; C1261-C1276 WeakPolarHBondContact CA-SG 3.42Å; C1261-C1276 HydrophobicContact CB-CB 3.45Å; C1261-C1276 VanDerWaalsContact CB-CB 3.45Å; C1261-C1276 WeakPolarHBondContact CB-SG 3.45Å; C1261-C1276 WeakPolarHBondContact SG-CA 3.19Å; C1261-C1276 WeakPolarHBondContact SG-CB 3.43Å; C1261-C1276 CovalentContact SG-SG 2.04Å; C1261-C1276 PolarHBondContact SG-SG 3.12Å; C1261-F1282 HydrophobicContact CB-CD1 3.9Å; C1261-F1282 HydrophobicContact CB-CE1 3.4Å; C1261-F1282 VanDerWaalsContact CB-CE1 3.4Å; C1261-F1282 HydrophobicContact CB-CZ 3.81Å
1262D69.2Low68.2Low90 Ų9050.8 Ų50.848%0.48128%0.28SS..Hα-helixtrans-49.2-50.8178.3-83.1-7.2000113.7A1258 L1264 M1265A1258-D1262 WeakPolarHBondContact O-CB 3.47Å; A1258-D1262 VanDerWaalsContact O-CG 3.25Å; A1258-D1262 PolarHBondContact O-N 3.47Å; D1262-L1264 VanDerWaalsContact C-N 3.29Å; D1262-L1264 PolarHBondContact O-N 3.21Å; D1262-M1265 PolarHBondContact O-N 3.15Å
1263P61.7Low66.8Low49 Ų4952 Ų5232%0.31830%0.296SS..Hα-helixtrans-68.5-26.6174.825-33.3000113.3L1075 S1259 T1260L1075-P1263 HydrophobicContact CD1-CG 4.12Å; S1259-P1263 WeakPolarHBondContact O-CD 3.35Å; T1260-P1263 WeakPolarHBondContact O-CD 3.36Å; T1260-P1263 WeakPolarHBondContact O-CG 3.34Å
1264L64.4Low65.6Low47 Ų4751 Ų5125%0.24629%0.293CS..Hα-helixtrans-82.5-16.4179.7-70.8165.2000113.5C1261 D1262 A1266 F1267 C1276C1261-L1264 CarbonylContact O-C 3.54Å; C1261-L1264 WeakPolarHBondContact O-CA 3.03Å; C1261-L1264 WeakPolarHBondContact O-CB 3.32Å; C1261-L1264 PolarHBondContact O-N 2.94Å; D1262-L1264 VanDerWaalsContact C-N 3.29Å; D1262-L1264 PolarHBondContact O-N 3.21Å; L1264-A1266 PolarHBondContact O-N 3.4Å; L1264-A1266 VanDerWaalsContact O-N 3.16Å; L1264-F1267 HydrophobicContact CD2-CD2 4.31Å; L1264-F1267 WeakPolarHBondContact O-CB 3.35Å; L1264-F1267 PolarHBondContact O-N 3.37Å; L1264-C1276 HydrophobicContact CB-CB 4.35Å
1265M68.3Low64.7Low87 Ų8750.9 Ų50.943%0.42929%0.292SS..G310 helixtrans-57.6-31.1-178.6-80.4-64.8-6400112.9C1261 D1262 F1267 C1268 F1282C1261-M1265 WeakPolarHBondContact O-CG 3.43Å; C1261-M1265 PolarHBondContact O-N 3.36Å; D1262-M1265 PolarHBondContact O-N 3.15Å; M1265-F1267 PolarHBondContact O-N 3.23Å; M1265-C1268 VanDerWaalsContact O-CB 3.31Å; M1265-C1268 WeakPolarHBondContact O-CB 3.16Å; M1265-C1268 PolarHBondContact O-N 2.82Å; M1265-C1268 VanDerWaalsContact O-N 3.12Å; M1265-F1282 HydrophobicContact CG-CZ 4.26Å; M1265-F1282 HydrophobicContact SD-CE1 4.26Å; M1265-F1282 HydrophobicContact SD-CZ 3.95Å
1266A66.2Low64.1Low71 Ų7149.1 Ų49.159%0.58729%0.286SS*.G310 helixtrans-62.4-24175.500000113.1L1264L1264-A1266 PolarHBondContact O-N 3.4Å; L1264-A1266 VanDerWaalsContact O-N 3.16Å
1267F59.4Low63.8Low57 Ų5749.9 Ų49.925%0.2529%0.292CS..G310 helixtrans-85.9-5.5177.9-65.9-82.7000113.7L131 L1264 M1265 D1269 F1270 T1271L131-F1267 VanDerWaalsContact O-CZ 3.3Å; L131-F1267 WeakPolarHBondContact O-CZ 3.39Å; L1264-F1267 HydrophobicContact CD2-CD2 4.31Å; L1264-F1267 WeakPolarHBondContact O-CB 3.35Å; L1264-F1267 PolarHBondContact O-N 3.37Å; M1265-F1267 PolarHBondContact O-N 3.23Å; F1267-D1269 PolarHBondContact O-N 3.29Å; F1267-F1270 PolarHBondContact O-N 2.79Å; F1267-T1271 PolarHBondContact O-N 3.21Å; F1267-T1271 PolarHBondContact O-OG1 3.2Å
1268C64.9Low63.6Low19 Ų1953.1 Ų53.113%0.12831%0.307CS..G310 helixtrans-66.3-24.5-178.7-69.80000113.7M1265 F1270 T1271 P1272 C1277M1265-C1268 VanDerWaalsContact O-CB 3.31Å; M1265-C1268 WeakPolarHBondContact O-CB 3.16Å; M1265-C1268 PolarHBondContact O-N 2.82Å; M1265-C1268 VanDerWaalsContact O-N 3.12Å; C1268-F1270 VanDerWaalsContact C-N 3.27Å; C1268-F1270 PolarHBondContact O-N 3.48Å; C1268-T1271 CarbonylContact O-C 3.59Å; C1268-P1272 WeakPolarHBondContact O-CA 3.26Å; C1268-C1277 WeakPolarHBondContact CA-SG 3.39Å; C1268-C1277 HydrophobicContact CB-CB 3.71Å; C1268-C1277 WeakPolarHBondContact CB-SG 3.26Å; C1268-C1277 WeakPolarHBondContact SG-CA 3.41Å; C1268-C1277 WeakPolarHBondContact SG-CB 3.48Å; C1268-C1277 CovalentContact SG-SG 2.03Å; C1268-C1277 PolarHBondContact SG-SG 3.28Å
1269D62.8Low63Low150 Ų15061.5 Ų61.580%0.80235%0.345SS*.G310 helixtrans-65.8-32.1172.1-70.2-19000112F1267F1267-D1269 PolarHBondContact O-N 3.29Å
1270F54.5Low62.8Low167 Ų16765.1 Ų65.173%0.73236%0.362SS*.THydrogen-bonded Turntrans-91.5-31.3-179.8-58.8-81.8000112.7F1267 C1268F1267-F1270 PolarHBondContact O-N 2.79Å; C1268-F1270 VanDerWaalsContact C-N 3.27Å; C1268-F1270 PolarHBondContact O-N 3.48Å
1271T55.3Low62.9Low70 Ų7065.4 Ų65.443%0.42936%0.364SS..  trans-132.467.5-175.554.30000111.9F1267 C1268 G1273 A1274 C1277F1267-T1271 PolarHBondContact O-N 3.21Å; F1267-T1271 PolarHBondContact O-OG1 3.2Å; C1268-T1271 CarbonylContact O-C 3.59Å; T1271-G1273 PolarHBondContact O-N 3.37Å; T1271-A1274 VanDerWaalsContact O-CB 3.3Å; T1271-A1274 WeakPolarHBondContact O-CB 3.38Å; T1271-A1274 PolarHBondContact O-N 2.98Å; T1271-C1277 PolarHBondContact O-SG 3Å; T1271-C1277 VanDerWaalsContact O-SG 3.41Å
1272P58.7Low63.2Low97 Ų9766.6 Ų66.663%0.6337%0.369SS*.THydrogen-bonded Turntrans-62-21.2-175.423.1-33.6000113.9C1268 A1274 C1277C1268-P1272 WeakPolarHBondContact O-CA 3.26Å; P1272-A1274 VanDerWaalsContact C-N 3.27Å; P1272-A1274 PolarHBondContact O-N 3.45Å; P1272-C1277 WeakPolarHBondContact O-CB 3.43Å
1273G53.5Low63.5Low37 Ų3763 Ų6338%0.38135%0.35SS..THydrogen-bonded Turntrans-78.7-2.3174.300000114.8G178 T1271G178-G1273 WeakPolarHBondContact CA-O 3.43Å; T1271-G1273 PolarHBondContact O-N 3.37Å
1274A55Low64.3Low8 Ų867 Ų677%0.06637%0.369CS..SBendtrans-71153.7-176.600000113.3F179 T1271 P1272 C1276 C1277 Q1278F179-A1274 HydrophobicContact CB-CB 3.82Å; F179-A1274 HydrophobicContact CD2-CB 4.07Å; F179-A1274 HydrophobicContact CG-CB 4.27Å; F179-A1274 CarbonylContact O-C 3.41Å; T1271-A1274 VanDerWaalsContact O-CB 3.3Å; T1271-A1274 WeakPolarHBondContact O-CB 3.38Å; T1271-A1274 PolarHBondContact O-N 2.98Å; P1272-A1274 VanDerWaalsContact C-N 3.27Å; P1272-A1274 PolarHBondContact O-N 3.45Å; A1274-C1276 VanDerWaalsContact C-N 3.26Å; A1274-C1276 PolarHBondContact O-N 2.89Å; A1274-C1277 HydrophobicContact CB-CB 4.46Å; A1274-C1277 WeakPolarHBondContact O-CA 3.43Å; A1274-C1277 WeakPolarHBondContact O-CB 3.42Å; A1274-C1277 PolarHBondContact O-N 2.95Å; A1274-Q1278 PolarHBondContact O-N 2.98Å
1275F62.8Low65.2Low9 Ų968.9 Ų68.94%0.03938%0.379CS..G310 helixtrans-53.9-46.6-174.5179.1-104.8000110.8F179 I181 W1079 I1257 C1277 Q1278 T1281F179-F1275 HydrophobicContact CB-CB 3.81Å; F179-F1275 WeakPolarHBondContact O-CA 3.38Å; F179-F1275 WeakPolarHBondContact O-CB 3.49Å; F179-F1275 PolarHBondContact O-N 2.84Å; I181-F1275 HydrophobicContact CB-CB 4.09Å; I181-F1275 HydrophobicContact CB-CD1 4.25Å; I181-F1275 HydrophobicContact CB-CD2 3.53Å; I181-F1275 HydrophobicContact CB-CE2 3.94Å; I181-F1275 HydrophobicContact CB-CG 3.69Å; I181-F1275 HydrophobicContact CB-CZ 4.45Å; I181-F1275 HydrophobicContact CD1-CB 3.91Å; I181-F1275 HydrophobicContact CD1-CD1 3.8Å; I181-F1275 HydrophobicContact CD1-CE1 4.47Å; I181-F1275 HydrophobicContact CD1-CG 3.84Å; I181-F1275 HydrophobicContact CG1-CB 3.81Å; I181-F1275 HydrophobicContact CG1-CD1 4.33Å; I181-F1275 HydrophobicContact CG1-CD2 4.22Å; I181-F1275 HydrophobicContact CG1-CG 3.87Å; I181-F1275 WeakPolarHBondContact O-CD2 3.46Å; I181-F1275 WeakPolarHBondContact O-CE2 3.33Å; W1079-F1275 HydrophobicContact CH2-CD1 4.09Å; W1079-F1275 AromaticContact CH2-CE1 3.61Å; W1079-F1275 HydrophobicContact CH2-CE1 3.61Å; W1079-F1275 HydrophobicContact CH2-CZ 4.34Å; W1079-F1275 HydrophobicContact CZ2-CE1 4.49Å; W1079-F1275 HydrophobicContact CZ3-CE1 4.44Å; I1257-F1275 HydrophobicContact CD1-CE1 4.1Å; I1257-F1275 HydrophobicContact CD1-CZ 3.94Å; I1257-F1275 HydrophobicContact CG1-CE1 4.25Å; I1257-F1275 HydrophobicContact CG2-CE1 3.69Å; I1257-F1275 HydrophobicContact CG2-CZ 4.47Å; F1275-C1277 PolarHBondContact O-N 2.81Å; F1275-Q1278 PolarHBondContact O-N 3.48Å; F1275-T1281 HydrophobicContact CD2-CG2 3.8Å; F1275-T1281 HydrophobicContact CE1-CG2 4.35Å; F1275-T1281 HydrophobicContact CE2-CG2 3.59Å; F1275-T1281 HydrophobicContact CG-CG2 4.3Å; F1275-T1281 HydrophobicContact CZ-CG2 3.9Å; F1275-T1281 WeakPolarHBondContact O-CB 3.3Å; F1275-T1281 VanDerWaalsContact O-CG2 3.23Å; F1275-T1281 WeakPolarHBondContact O-CG2 3.31Å; F1275-T1281 PolarHBondContact O-OG1 3.33Å
1276C67Low65.7Low10 Ų1065.2 Ų65.27%0.06836%0.363CS..G310 helixtrans-68.1-17.3178.4-67.10000113.6C1261 L1264 A1274C1261-C1276 WeakPolarHBondContact CA-SG 3.42Å; C1261-C1276 HydrophobicContact CB-CB 3.45Å; C1261-C1276 VanDerWaalsContact CB-CB 3.45Å; C1261-C1276 WeakPolarHBondContact CB-SG 3.45Å; C1261-C1276 WeakPolarHBondContact SG-CA 3.19Å; C1261-C1276 WeakPolarHBondContact SG-CB 3.43Å; C1261-C1276 CovalentContact SG-SG 2.04Å; C1261-C1276 PolarHBondContact SG-SG 3.12Å; L1264-C1276 HydrophobicContact CB-CB 4.35Å; A1274-C1276 VanDerWaalsContact C-N 3.26Å; A1274-C1276 PolarHBondContact O-N 2.89Å
1277C66.9Low66.7Low28 Ų2865.2 Ų65.219%0.18935%0.353CS..G310 helixtrans-93.3-6.8-176.8-52.20000113.4C1268 T1271 P1272 A1274 F1275C1268-C1277 WeakPolarHBondContact CA-SG 3.39Å; C1268-C1277 HydrophobicContact CB-CB 3.71Å; C1268-C1277 WeakPolarHBondContact CB-SG 3.26Å; C1268-C1277 WeakPolarHBondContact SG-CA 3.41Å; C1268-C1277 WeakPolarHBondContact SG-CB 3.48Å; C1268-C1277 CovalentContact SG-SG 2.03Å; C1268-C1277 PolarHBondContact SG-SG 3.28Å; T1271-C1277 PolarHBondContact O-SG 3Å; T1271-C1277 VanDerWaalsContact O-SG 3.41Å; P1272-C1277 WeakPolarHBondContact O-CB 3.43Å; A1274-C1277 HydrophobicContact CB-CB 4.46Å; A1274-C1277 WeakPolarHBondContact O-CA 3.43Å; A1274-C1277 WeakPolarHBondContact O-CB 3.42Å; A1274-C1277 PolarHBondContact O-N 2.95Å; F1275-C1277 PolarHBondContact O-N 2.81Å
1278Q67.9Low68Low68 Ų6866.3 Ų66.332%0.31836%0.355SS..SBendtrans-79.6128.5175.9-67.1179.713.400110.8H180 A1274 F1275 D1280 T1281H180-Q1278 PolarHBondContact CE1-NE2 3.17Å; H180-Q1278 PolarHBondContact ND1-NE2 2.94Å; H180-Q1278 VanDerWaalsContact ND1-NE2 3.13Å; A1274-Q1278 PolarHBondContact O-N 2.98Å; F1275-Q1278 PolarHBondContact O-N 3.48Å; Q1278-D1280 PolarHBondContact O-N 2.89Å; Q1278-T1281 HydrophobicContact CB-CG2 3.86Å; Q1278-T1281 PolarHBondContact O-N 2.86Å; Q1278-T1281 PolarHBondContact O-OG1 3.48Å
1279Q62.8Low69Low183 Ų18371.4 Ų71.486%0.85537%0.372SS*.THydrogen-bonded Turntrans-64.1-9.8-172.7-71.3-176.5-14.500115.9
1280D66.5Low69.8Low108 Ų10866.4 Ų66.458%0.57835%0.349SS*.THydrogen-bonded Turntrans-1175.8-177.5-77.9-29.8000114.2Q1278 R1288Q1278-D1280 PolarHBondContact O-N 2.89Å; D1280-R1288 IonicContact OD1-CZ 2.99Å; D1280-R1288 IonicContact OD1-NH1 3.87Å; D1280-R1288 IonicContact OD1-NH2 3.77Å; D1280-R1288 PolarHBondContact OD1-NH2 2.98Å
1281T65.3Low70.7Confident18 Ų1861.9 Ų61.911%0.1133%0.327CS..SBendtrans-77.5-37.7-179.5430000113.5F1275 Q1278F1275-T1281 HydrophobicContact CD2-CG2 3.8Å; F1275-T1281 HydrophobicContact CE1-CG2 4.35Å; F1275-T1281 HydrophobicContact CE2-CG2 3.59Å; F1275-T1281 HydrophobicContact CG-CG2 4.3Å; F1275-T1281 HydrophobicContact CZ-CG2 3.9Å; F1275-T1281 WeakPolarHBondContact O-CB 3.3Å; F1275-T1281 VanDerWaalsContact O-CG2 3.23Å; F1275-T1281 WeakPolarHBondContact O-CG2 3.31Å; F1275-T1281 PolarHBondContact O-OG1 3.33Å; Q1278-T1281 HydrophobicContact CB-CG2 3.86Å; Q1278-T1281 PolarHBondContact O-N 2.86Å; Q1278-T1281 PolarHBondContact O-OG1 3.48Å
1282F73.4Confident71.6Confident26 Ų2659.4 Ų59.411%0.11431%0.312CS..  trans-141.9165.8171.270.3-79.9000111.5N1254 I1257 A1258 C1261 M1265N1254-F1282 WeakPolarHBondContact OD1-CA 3.45Å; I1257-F1282 HydrophobicContact CB-CB 4.16Å; I1257-F1282 HydrophobicContact CG2-CB 3.7Å; I1257-F1282 HydrophobicContact CG2-CD1 3.99Å; I1257-F1282 HydrophobicContact CG2-CG 4.13Å; A1258-F1282 HydrophobicContact CB-CB 4.33Å; A1258-F1282 HydrophobicContact CB-CD2 3.53Å; A1258-F1282 HydrophobicContact CB-CE2 4.12Å; A1258-F1282 HydrophobicContact CB-CG 4.17Å; C1261-F1282 HydrophobicContact CB-CD1 3.9Å; C1261-F1282 HydrophobicContact CB-CE1 3.4Å; C1261-F1282 VanDerWaalsContact CB-CE1 3.4Å; C1261-F1282 HydrophobicContact CB-CZ 3.81Å; M1265-F1282 HydrophobicContact CG-CZ 4.26Å; M1265-F1282 HydrophobicContact SD-CE1 4.26Å; M1265-F1282 HydrophobicContact SD-CZ 3.95Å
1283T76.4Confident72.8Confident14 Ų1454.9 Ų54.99%0.08628%0.282CS..  trans-142134.4176.5179.80000110.9N1254 D1285 R1288 P1292N1254-T1283 PolarHBondContact ND2-O 3.17Å; N1254-T1283 PolarHBondContact OD1-N 3.32Å; T1283-D1285 VanDerWaalsContact C-N 3.28Å; T1283-D1285 WeakPolarHBondContact CG2-O 3.18Å; T1283-D1285 PolarHBondContact OG1-N 3.36Å; T1283-D1285 VanDerWaalsContact OG1-N 3.13Å; T1283-D1285 PolarHBondContact OG1-O 3.45Å; T1283-D1285 VanDerWaalsContact OG1-O 3.12Å; T1283-R1288 HydrophobicContact CG2-CB 4.42Å; T1283-P1292 HydrophobicContact CG2-CG 4.08Å
1284N77.6Confident74.5Confident133 Ų13353.1 Ų53.171%0.71126%0.264SS*.SBendtrans-72.9-25.3169.1-69.2-17.5000111.4A1286N1284-A1286 PolarHBondContact O-N 3.12Å
1285D83.2Confident76.3Confident87 Ų8753.4 Ų53.447%0.46527%0.268SS..  trans-81.591.7168.5179.517.4000110.4T1283 L1287 R1288T1283-D1285 VanDerWaalsContact C-N 3.28Å; T1283-D1285 WeakPolarHBondContact CG2-O 3.18Å; T1283-D1285 PolarHBondContact OG1-N 3.36Å; T1283-D1285 VanDerWaalsContact OG1-N 3.13Å; T1283-D1285 PolarHBondContact OG1-O 3.45Å; T1283-D1285 VanDerWaalsContact OG1-O 3.12Å; D1285-L1287 PolarHBondContact O-N 3.02Å; D1285-L1287 PolarHBondContact OD1-N 3.46Å; D1285-R1288 HydrophobicContact CB-CB 4.42Å; D1285-R1288 VanDerWaalsContact O-CB 3.26Å; D1285-R1288 WeakPolarHBondContact O-CB 3.1Å; D1285-R1288 PolarHBondContact O-N 3.43Å; D1285-R1288 PolarHBondContact OD1-N 2.99Å; D1285-R1288 PolarHBondContact OD2-N 2.84Å
1286A79.9Confident77.8Confident9 Ų953.8 Ų53.87%0.07427%0.269CS..THydrogen-bonded Turntrans-63.3-23.1176.900000113.1Y1251 N1284 R1288 I1294Y1251-A1286 HydrophobicContact CD2-CB 4.23Å; Y1251-A1286 HydrophobicContact CE2-CB 3.63Å; N1284-A1286 PolarHBondContact O-N 3.12Å; A1286-R1288 VanDerWaalsContact C-N 3.3Å; A1286-I1294 WeakPolarHBondContact O-CG1 3.27Å; A1286-I1294 PolarHBondContact O-N 3.07Å
1287L87.1Confident79Confident72 Ų7253.3 Ų53.338%0.37727%0.266SS..THydrogen-bonded Turntrans-87.11.9-178.6-63175.6000113.2L1171 D1285 G1295 L1298L1171-L1287 HydrophobicContact CD2-CD2 4.42Å; D1285-L1287 PolarHBondContact O-N 3.02Å; D1285-L1287 PolarHBondContact OD1-N 3.46Å; L1287-G1295 VanDerWaalsContact O-CA 3.32Å; L1287-G1295 WeakPolarHBondContact O-CA 3.31Å; L1287-L1298 HydrophobicContact CD2-CD1 3.43Å; L1287-L1298 VanDerWaalsContact CD2-CD1 3.43Å
1288R86.5Confident80.4Confident79 Ų7952.7 Ų52.730%0.29826%0.26SS..  trans-52.8143.8175.8-170.8170.5175.4-168.1-9.9111.8D1280 T1283 D1285 A1286 S1290 G1293 G1295D1280-R1288 IonicContact OD1-CZ 2.99Å; D1280-R1288 IonicContact OD1-NH1 3.87Å; D1280-R1288 IonicContact OD1-NH2 3.77Å; D1280-R1288 PolarHBondContact OD1-NH2 2.98Å; T1283-R1288 HydrophobicContact CG2-CB 4.42Å; D1285-R1288 HydrophobicContact CB-CB 4.42Å; D1285-R1288 VanDerWaalsContact O-CB 3.26Å; D1285-R1288 WeakPolarHBondContact O-CB 3.1Å; D1285-R1288 PolarHBondContact O-N 3.43Å; D1285-R1288 PolarHBondContact OD1-N 2.99Å; D1285-R1288 PolarHBondContact OD2-N 2.84Å; A1286-R1288 VanDerWaalsContact C-N 3.3Å; R1288-S1290 PolarHBondContact NE-OG 3.38Å; R1288-S1290 PolarHBondContact NH2-OG 3.27Å; R1288-G1293 CarbonylContact O-C 3.46Å; R1288-G1293 WeakPolarHBondContact O-CA 3.39Å; R1288-G1295 PolarHBondContact O-N 3.34Å; R1288-G1295 VanDerWaalsContact O-N 3.08Å
1289W86.1Confident81.7Confident126 Ų12654.4 Ų54.448%0.47727%0.267SS..SBendtrans-75.4-42.2179.6179.6-92.9000113.1W1233 R1296 F1299W1233-W1289 HydrophobicContact CH2-CZ2 4Å; W1289-R1296 HydrophobicContact CD2-CB 4.13Å; W1289-R1296 HydrophobicContact CE3-CB 4.03Å; W1289-R1296 HydrophobicContact CH2-CB 4.24Å; W1289-R1296 HydrophobicContact CZ2-CB 4.32Å; W1289-R1296 HydrophobicContact CZ3-CB 4.1Å; W1289-F1299 HydrophobicContact CH2-CB 4.4Å; W1289-F1299 AromaticContact CH2-CD1 3.82Å; W1289-F1299 HydrophobicContact CH2-CD1 3.82Å; W1289-F1299 HydrophobicContact CH2-CE1 4.39Å; W1289-F1299 HydrophobicContact CH2-CG 4.18Å; W1289-F1299 HydrophobicContact CZ3-CB 3.72Å; W1289-F1299 AromaticContact CZ3-CD1 3.97Å; W1289-F1299 HydrophobicContact CZ3-CD1 3.97Å; W1289-F1299 AromaticContact CZ3-CG 3.84Å; W1289-F1299 HydrophobicContact CZ3-CG 3.84Å
1290S80.1Confident83.2Confident46 Ų4647.4 Ų47.432%0.32223%0.234SC..SBendtrans-72.2156.2176.860.40000110.7R1288 G1293R1288-S1290 PolarHBondContact NE-OG 3.38Å; R1288-S1290 PolarHBondContact NH2-OG 3.27Å; S1290-G1293 PolarHBondContact O-N 3.09Å
1291R73.4Confident84.7Confident72 Ų7242.2 Ų42.227%0.27221%0.206SC..THydrogen-bonded Turntrans-58.3142.9169.8-69.8-175.3179.4178.30.4108.7Q1228 R1296Q1228-R1291 VanDerWaalsContact OE1-CZ 3.32Å; R1291-R1296 VanDerWaalsContact CG-NH1 3.26Å; R1291-R1296 VanDerWaalsContact CG-NH2 3.27Å
1292P72.6Confident86.1Confident18 Ų1843.4 Ų43.412%0.11722%0.215CC..THydrogen-bonded Turncis-90.213.84.129.4-26.1000116.5N1254 T1283N1254-P1292 HydrophobicContact CB-CB 4.24Å; N1254-P1292 VanDerWaalsContact OD1-CG 3.29Å; N1254-P1292 WeakPolarHBondContact OD1-CG 3.21Å; T1283-P1292 HydrophobicContact CG2-CG 4.08Å
1293G84.2Confident87.2Confident1 Ų145.9 Ų45.91%0.0123%0.228CC..  trans-69.1159-179.800000115.7R1288 S1290R1288-G1293 CarbonylContact O-C 3.46Å; R1288-G1293 WeakPolarHBondContact O-CA 3.39Å; S1290-G1293 PolarHBondContact O-N 3.09Å
1294I90.6Very high88.1Confident1 Ų145.8 Ų45.81%0.00523%0.227CC..SBendtrans-97.2-1-178.161.9158.5000114.5A1247 A1250 Y1251 A1286 R1296 Y1297 L1298A1247-I1294 HydrophobicContact CB-CB 4.48Å; A1247-I1294 HydrophobicContact CB-CG2 4.26Å; A1247-I1294 WeakPolarHBondContact O-CG2 3.38Å; A1250-I1294 HydrophobicContact CB-CG2 4.37Å; Y1251-I1294 HydrophobicContact CD2-CD1 3.8Å; Y1251-I1294 HydrophobicContact CD2-CG1 4.22Å; Y1251-I1294 HydrophobicContact CD2-CG2 4.22Å; Y1251-I1294 HydrophobicContact CE2-CD1 4.26Å; A1286-I1294 WeakPolarHBondContact O-CG1 3.27Å; A1286-I1294 PolarHBondContact O-N 3.07Å; I1294-R1296 VanDerWaalsContact C-N 3.3Å; I1294-R1296 PolarHBondContact O-N 2.71Å; I1294-Y1297 HydrophobicContact CB-CD2 4.31Å; I1294-Y1297 PolarHBondContact O-N 2.96Å; I1294-L1298 HydrophobicContact CD1-CD1 4.1Å; I1294-L1298 HydrophobicContact CD1-CD2 4.4Å; I1294-L1298 HydrophobicContact CD1-CG 4.38Å; I1294-L1298 HydrophobicContact CG1-CD1 4.3Å; I1294-L1298 PolarHBondContact O-N 2.99Å
1295G92.1Very high88.9Confident13 Ų1339.5 Ų39.513%0.13419%0.193CC..Hα-helixtrans-55.9-38.6-171.700000114.4L1287 R1288 Y1297 L1298 F1299L1287-G1295 VanDerWaalsContact O-CA 3.32Å; L1287-G1295 WeakPolarHBondContact O-CA 3.31Å; R1288-G1295 PolarHBondContact O-N 3.34Å; R1288-G1295 VanDerWaalsContact O-N 3.08Å; G1295-Y1297 PolarHBondContact O-N 3.29Å; G1295-L1298 PolarHBondContact O-N 2.64Å; G1295-F1299 PolarHBondContact O-N 2.97Å
1296R93.3Very high89.5Confident18 Ų1838.8 Ų38.87%0.06819%0.188CC..Hα-helixtrans-60.8-41.3175.964.9-178.3-177.9-151.2-9.3112.8M1236 W1289 R1291 I1294 L1298 F1299 F1300M1236-R1296 HydrophobicContact CE-CB 4.49Å; M1236-R1296 HydrophobicContact CE-CG 4.46Å; M1236-R1296 HydrophobicContact SD-CB 4.04Å; M1236-R1296 HydrophobicContact SD-CG 3.73Å; W1289-R1296 HydrophobicContact CD2-CB 4.13Å; W1289-R1296 HydrophobicContact CE3-CB 4.03Å; W1289-R1296 HydrophobicContact CH2-CB 4.24Å; W1289-R1296 HydrophobicContact CZ2-CB 4.32Å; W1289-R1296 HydrophobicContact CZ3-CB 4.1Å; R1291-R1296 VanDerWaalsContact CG-NH1 3.26Å; R1291-R1296 VanDerWaalsContact CG-NH2 3.27Å; I1294-R1296 VanDerWaalsContact C-N 3.3Å; I1294-R1296 PolarHBondContact O-N 2.71Å; R1296-L1298 VanDerWaalsContact C-N 3.34Å; R1296-L1298 PolarHBondContact O-N 2.94Å; R1296-F1299 PolarHBondContact O-N 3.28Å; R1296-F1300 VanDerWaalsContact O-CD2 3.27Å; R1296-F1300 WeakPolarHBondContact O-CD2 3.34Å; R1296-F1300 PolarHBondContact O-N 2.73Å
1297Y94.1Very high90.3Very high0 Ų041.5 Ų41.50%020%0.204CC..Hα-helixtrans-67.5-39.5-178.7-59.2-68.8000110.6M1236 F1242 C1243 Q1246 A1247 I1294 G1295 F1300 L1301M1236-Y1297 HydrophobicContact CG-CD1 3.97Å; M1236-Y1297 HydrophobicContact CG-CE1 4.25Å; M1236-Y1297 HydrophobicContact SD-CD1 3.62Å; M1236-Y1297 HydrophobicContact SD-CE1 3.75Å; M1236-Y1297 HydrophobicContact SD-CG 4.41Å; F1242-Y1297 HydrophobicContact CE1-CE1 4.37Å; C1243-Y1297 HydrophobicContact CB-CD1 4.3Å; Q1246-Y1297 HydrophobicContact CB-CE1 4.03Å; Q1246-Y1297 HydrophobicContact CG-CE1 3.78Å; Q1246-Y1297 HydrophobicContact CG-CE2 4.29Å; Q1246-Y1297 VanDerWaalsContact CG-CZ 3.46Å; Q1246-Y1297 WeakPolarHBondContact CG-OH 2.77Å; A1247-Y1297 HydrophobicContact CB-CD2 3.97Å; A1247-Y1297 HydrophobicContact CB-CG 4.07Å; I1294-Y1297 HydrophobicContact CB-CD2 4.31Å; I1294-Y1297 PolarHBondContact O-N 2.96Å; G1295-Y1297 PolarHBondContact O-N 3.29Å; Y1297-F1300 PolarHBondContact O-N 3.21Å; Y1297-L1301 WeakPolarHBondContact O-CB 3.32Å; Y1297-L1301 VanDerWaalsContact O-CG 3.28Å; Y1297-L1301 WeakPolarHBondContact O-CG 3.45Å; Y1297-L1301 PolarHBondContact O-N 2.82Å
1298L94.7Very high90.6Very high15 Ų1540 Ų408%0.07919%0.193CC..Hα-helixtrans-62.6-43.8175.2-57.7176.8000111.4L1171 L1172 L1175 L1287 I1294 G1295 R1296 L1301 S1302L1171-L1298 HydrophobicContact CD2-CD1 4.08Å; L1172-L1298 HydrophobicContact CB-CD2 4.01Å; L1172-L1298 HydrophobicContact CD1-CD2 3.75Å; L1175-L1298 HydrophobicContact CD1-CB 3.8Å; L1175-L1298 HydrophobicContact CD1-CD2 3.93Å; L1175-L1298 HydrophobicContact CD1-CG 4.4Å; L1287-L1298 HydrophobicContact CD2-CD1 3.43Å; L1287-L1298 VanDerWaalsContact CD2-CD1 3.43Å; I1294-L1298 HydrophobicContact CD1-CD1 4.1Å; I1294-L1298 HydrophobicContact CD1-CD2 4.4Å; I1294-L1298 HydrophobicContact CD1-CG 4.38Å; I1294-L1298 HydrophobicContact CG1-CD1 4.3Å; I1294-L1298 PolarHBondContact O-N 2.99Å; G1295-L1298 PolarHBondContact O-N 2.64Å; R1296-L1298 VanDerWaalsContact C-N 3.34Å; R1296-L1298 PolarHBondContact O-N 2.94Å; L1298-L1301 PolarHBondContact O-N 3.23Å; L1298-S1302 PolarHBondContact O-N 3.14Å
1299F95.4Very high90.9Very high104 Ų10437.8 Ų37.846%0.45619%0.19SC..Hα-helixtrans-60-49.5175.2175.2-97000112.1W1289 G1295 R1296 L1301 S1302 M1303W1289-F1299 HydrophobicContact CH2-CB 4.4Å; W1289-F1299 AromaticContact CH2-CD1 3.82Å; W1289-F1299 HydrophobicContact CH2-CD1 3.82Å; W1289-F1299 HydrophobicContact CH2-CE1 4.39Å; W1289-F1299 HydrophobicContact CH2-CG 4.18Å; W1289-F1299 HydrophobicContact CZ3-CB 3.72Å; W1289-F1299 AromaticContact CZ3-CD1 3.97Å; W1289-F1299 HydrophobicContact CZ3-CD1 3.97Å; W1289-F1299 AromaticContact CZ3-CG 3.84Å; W1289-F1299 HydrophobicContact CZ3-CG 3.84Å; G1295-F1299 PolarHBondContact O-N 2.97Å; R1296-F1299 PolarHBondContact O-N 3.28Å; F1299-L1301 PolarHBondContact O-N 3.2Å; F1299-S1302 WeakPolarHBondContact O-CB 3.34Å; F1299-S1302 PolarHBondContact O-N 3.16Å; F1299-M1303 HydrophobicContact CD1-CG 4.33Å; F1299-M1303 HydrophobicContact CE1-CG 3.85Å; F1299-M1303 HydrophobicContact CE2-CG 4.23Å; F1299-M1303 HydrophobicContact CZ-CG 3.79Å; F1299-M1303 HydrophobicContact CZ-SD 4.32Å; F1299-M1303 WeakPolarHBondContact O-CG 3.49Å; F1299-M1303 PolarHBondContact O-N 3.13Å
1300F95.6Very high91.2Very high35 Ų3536.4 Ų36.415%0.15419%0.192CC..Hα-helixtrans-62.3-43.2178-86.8-82.9000111.4W1233 M1236 A1237 R1296 Y1297 S1302 M1303 H1304W1233-F1300 HydrophobicContact CE3-CE2 4.25Å; W1233-F1300 HydrophobicContact CE3-CZ 4.11Å; W1233-F1300 AromaticContact CZ3-CE2 3.73Å; W1233-F1300 HydrophobicContact CZ3-CE2 3.73Å; W1233-F1300 AromaticContact CZ3-CZ 3.72Å; W1233-F1300 HydrophobicContact CZ3-CZ 3.72Å; M1236-F1300 HydrophobicContact CE-CD2 3.61Å; M1236-F1300 HydrophobicContact CE-CE2 3.33Å; M1236-F1300 HydrophobicContact CE-CZ 4.08Å; M1236-F1300 HydrophobicContact CG-CB 3.92Å; M1236-F1300 HydrophobicContact CG-CD1 4.34Å; M1236-F1300 HydrophobicContact CG-CD2 3.55Å; M1236-F1300 HydrophobicContact CG-CE2 4.15Å; M1236-F1300 HydrophobicContact CG-CG 3.67Å; M1236-F1300 HydrophobicContact SD-CD2 3.5Å; M1236-F1300 VanDerWaalsContact SD-CD2 3.5Å; M1236-F1300 HydrophobicContact SD-CE2 3.92Å; M1236-F1300 HydrophobicContact SD-CG 4.24Å; A1237-F1300 HydrophobicContact CB-CE1 3.97Å; R1296-F1300 VanDerWaalsContact O-CD2 3.27Å; R1296-F1300 WeakPolarHBondContact O-CD2 3.34Å; R1296-F1300 PolarHBondContact O-N 2.73Å; Y1297-F1300 PolarHBondContact O-N 3.21Å; F1300-S1302 VanDerWaalsContact C-N 3.33Å; F1300-S1302 PolarHBondContact O-N 2.81Å; F1300-M1303 PolarHBondContact O-N 3.47Å; F1300-H1304 VanDerWaalsContact C-ND1 3.33Å; F1300-H1304 PolarHBondContact O-N 3.15Å; F1300-H1304 PolarHBondContact O-ND1 3.44Å
1301L96.7Very high91.6Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-58.7-42.7175.2-74.4172.3000112.3L1172 L1175 Y1176 A1179 P1240 C1243 Y1297 L1298 F1299 M1303 H1304 G1305L1172-L1301 HydrophobicContact CD1-CD1 3.74Å; L1175-L1301 HydrophobicContact CB-CB 3.98Å; L1175-L1301 HydrophobicContact CB-CD1 4.33Å; Y1176-L1301 HydrophobicContact CD2-CD2 4.21Å; A1179-L1301 HydrophobicContact CB-CD2 3.93Å; A1179-L1301 WeakPolarHBondContact CB-O 3.22Å; P1240-L1301 HydrophobicContact CB-CD2 3.73Å; C1243-L1301 HydrophobicContact CB-CD1 4.23Å; C1243-L1301 HydrophobicContact CB-CD2 3.85Å; C1243-L1301 HydrophobicContact CB-CG 3.86Å; Y1297-L1301 WeakPolarHBondContact O-CB 3.32Å; Y1297-L1301 VanDerWaalsContact O-CG 3.28Å; Y1297-L1301 WeakPolarHBondContact O-CG 3.45Å; Y1297-L1301 PolarHBondContact O-N 2.82Å; L1298-L1301 PolarHBondContact O-N 3.23Å; F1299-L1301 PolarHBondContact O-N 3.2Å; L1301-M1303 PolarHBondContact O-N 3.24Å; L1301-H1304 PolarHBondContact O-N 3.38Å; L1301-G1305 PolarHBondContact O-N 3.12Å
1302S96.1Very high92.4Very high43 Ų4334 Ų3430%0.30118%0.181SC..Hα-helixtrans-58.4-47.5173.8-175.20000111.9W1178 L1298 F1299 F1300 H1304 G1305 I1306W1178-S1302 PolarHBondContact NE1-O 2.98Å; L1298-S1302 PolarHBondContact O-N 3.14Å; F1299-S1302 WeakPolarHBondContact O-CB 3.34Å; F1299-S1302 PolarHBondContact O-N 3.16Å; F1300-S1302 VanDerWaalsContact C-N 3.33Å; F1300-S1302 PolarHBondContact O-N 2.81Å; S1302-H1304 PolarHBondContact O-N 3.12Å; S1302-G1305 PolarHBondContact O-N 2.97Å; S1302-I1306 PolarHBondContact O-N 2.95Å
1303M95.9Very high93.1Very high78 Ų7837 Ų3738%0.38420%0.195SC..Hα-helixtrans-62.7-41.7177.7-74.3-59.4-63.300112.9F1299 F1300 L1301 G1305 I1306 V1307F1299-M1303 HydrophobicContact CD1-CG 4.33Å; F1299-M1303 HydrophobicContact CE1-CG 3.85Å; F1299-M1303 HydrophobicContact CE2-CG 4.23Å; F1299-M1303 HydrophobicContact CZ-CG 3.79Å; F1299-M1303 HydrophobicContact CZ-SD 4.32Å; F1299-M1303 WeakPolarHBondContact O-CG 3.49Å; F1299-M1303 PolarHBondContact O-N 3.13Å; F1300-M1303 PolarHBondContact O-N 3.47Å; L1301-M1303 PolarHBondContact O-N 3.24Å; M1303-G1305 VanDerWaalsContact C-N 3.31Å; M1303-G1305 PolarHBondContact O-N 3.47Å; M1303-I1306 PolarHBondContact O-N 3.14Å; M1303-I1306 HydrophobicContact SD-CD1 4.44Å; M1303-V1307 WeakPolarHBondContact O-CB 3.5Å; M1303-V1307 VanDerWaalsContact O-CG2 3.31Å; M1303-V1307 WeakPolarHBondContact O-CG2 3.21Å; M1303-V1307 PolarHBondContact O-N 3.04Å
1304H95.8Very high93.1Very high12 Ų1240.5 Ų40.56%0.05621%0.213CC..Hα-helixtrans-57-45.3175.4-75.795.8000111.3A1179 M1236 A1237 F1300 L1301 S1302 I1306 V1307 Y1308A1179-H1304 HydrophobicContact CB-CB 3.82Å; M1236-H1304 PolarHBondContact O-CE1 2.83Å; M1236-H1304 VanDerWaalsContact O-CE1 3.23Å; A1237-H1304 PolarHBondContact O-NE2 2.83Å; F1300-H1304 VanDerWaalsContact C-ND1 3.33Å; F1300-H1304 PolarHBondContact O-N 3.15Å; F1300-H1304 PolarHBondContact O-ND1 3.44Å; L1301-H1304 PolarHBondContact O-N 3.38Å; S1302-H1304 PolarHBondContact O-N 3.12Å; H1304-I1306 VanDerWaalsContact C-N 3.33Å; H1304-I1306 PolarHBondContact O-N 2.81Å; H1304-V1307 PolarHBondContact O-N 3.42Å; H1304-Y1308 HydrophobicContact CB-CD2 4.15Å; H1304-Y1308 HydrophobicContact CB-CE2 4.05Å; H1304-Y1308 AromaticContact CD2-CE2 3.8Å; H1304-Y1308 WeakPolarHBondContact O-CB 3.28Å; H1304-Y1308 WeakPolarHBondContact O-CD2 3.21Å; H1304-Y1308 PolarHBondContact O-N 3.32Å
1305G94.6Very high92.6Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-61.8-39.517900000112.8W1178 L1301 S1302 M1303 S1309W1178-G1305 WeakPolarHBondContact O-CA 3.38Å; L1301-G1305 PolarHBondContact O-N 3.12Å; S1302-G1305 PolarHBondContact O-N 2.97Å; M1303-G1305 VanDerWaalsContact C-N 3.31Å; M1303-G1305 PolarHBondContact O-N 3.47Å; G1305-S1309 WeakPolarHBondContact O-CB 3.27Å; G1305-S1309 PolarHBondContact O-N 2.88Å; G1305-S1309 PolarHBondContact O-OG 2.99Å
1306I95.6Very high92.1Very high73 Ų7344.6 Ų44.637%0.37423%0.232SC..Hα-helixtrans-65.8-51.1174.8-63.1169.3000110.7W1178 S1302 M1303 H1304 Y1308 S1309 L1310W1178-I1306 HydrophobicContact CZ2-CG1 4.47Å; S1302-I1306 PolarHBondContact O-N 2.95Å; M1303-I1306 PolarHBondContact O-N 3.14Å; M1303-I1306 HydrophobicContact SD-CD1 4.44Å; H1304-I1306 VanDerWaalsContact C-N 3.33Å; H1304-I1306 PolarHBondContact O-N 2.81Å; I1306-Y1308 PolarHBondContact O-N 3.47Å; I1306-S1309 PolarHBondContact O-N 3.22Å; I1306-L1310 HydrophobicContact CG2-CD1 3.92Å; I1306-L1310 HydrophobicContact CG2-CG 4.4Å; I1306-L1310 WeakPolarHBondContact O-CB 3.3Å; I1306-L1310 WeakPolarHBondContact O-CG 3.36Å; I1306-L1310 PolarHBondContact O-N 2.88Å
1307V95.1Very high91Very high66 Ų6646.7 Ų46.740%0.425%0.247SC..Hα-helixtrans-60.5-48.5-177.41710000111M1303 H1304 S1309 L1310 L1311M1303-V1307 WeakPolarHBondContact O-CB 3.5Å; M1303-V1307 VanDerWaalsContact O-CG2 3.31Å; M1303-V1307 WeakPolarHBondContact O-CG2 3.21Å; M1303-V1307 PolarHBondContact O-N 3.04Å; H1304-V1307 PolarHBondContact O-N 3.42Å; V1307-S1309 PolarHBondContact O-N 3.24Å; V1307-L1310 PolarHBondContact O-N 3.35Å; V1307-L1311 HydrophobicContact CG1-CD1 3.97Å; V1307-L1311 HydrophobicContact CG1-CG 4.42Å; V1307-L1311 WeakPolarHBondContact O-CB 3.44Å; V1307-L1311 VanDerWaalsContact O-CG 3.3Å; V1307-L1311 WeakPolarHBondContact O-CG 3.46Å; V1307-L1311 PolarHBondContact O-N 3.46Å
1308Y94.5Very high89.5Confident39 Ų3952 Ų5215%0.15327%0.271CS..Hα-helixtrans-68.3-34.2179.3-70.6-55000112.8M1183 F1186 H1304 I1306 L1311 L1312M1183-Y1308 HydrophobicContact CB-CD1 4.33Å; M1183-Y1308 HydrophobicContact CB-CD2 3.59Å; M1183-Y1308 HydrophobicContact CB-CE1 4.44Å; M1183-Y1308 HydrophobicContact CB-CE2 3.7Å; M1183-Y1308 HydrophobicContact CB-CG 3.93Å; M1183-Y1308 HydrophobicContact CG-CD1 4.35Å; M1183-Y1308 HydrophobicContact CG-CD2 4.08Å; M1183-Y1308 HydrophobicContact CG-CE1 4.02Å; M1183-Y1308 HydrophobicContact CG-CE2 3.7Å; M1183-Y1308 HydrophobicContact CG-CG 4.4Å; M1183-Y1308 HydrophobicContact SD-CE2 3.83Å; F1186-Y1308 HydrophobicContact CD1-CD1 4.25Å; H1304-Y1308 HydrophobicContact CB-CD2 4.15Å; H1304-Y1308 HydrophobicContact CB-CE2 4.05Å; H1304-Y1308 AromaticContact CD2-CE2 3.8Å; H1304-Y1308 WeakPolarHBondContact O-CB 3.28Å; H1304-Y1308 WeakPolarHBondContact O-CD2 3.21Å; H1304-Y1308 PolarHBondContact O-N 3.32Å; I1306-Y1308 PolarHBondContact O-N 3.47Å; Y1308-L1311 HydrophobicContact CD1-CD1 4.13Å; Y1308-L1311 PolarHBondContact O-N 3.32Å; Y1308-L1312 VanDerWaalsContact O-CB 3.32Å; Y1308-L1312 WeakPolarHBondContact O-CB 2.9Å; Y1308-L1312 PolarHBondContact O-N 3.43Å
1309S92.5Very high87.4Confident34 Ų3457.3 Ų57.324%0.23829%0.291CS..Hα-helixtrans-65.3-41.6173.2-62.60000111.7G1305 I1306 V1307 L1312 L1313G1305-S1309 WeakPolarHBondContact O-CB 3.27Å; G1305-S1309 PolarHBondContact O-N 2.88Å; G1305-S1309 PolarHBondContact O-OG 2.99Å; I1306-S1309 PolarHBondContact O-N 3.22Å; V1307-S1309 PolarHBondContact O-N 3.24Å; S1309-L1312 PolarHBondContact O-N 2.91Å; S1309-L1313 WeakPolarHBondContact O-CG 3.43Å; S1309-L1313 PolarHBondContact O-N 2.74Å
1310L91.6Very high85.3Confident97 Ų9755.5 Ų55.551%0.50829%0.29SS..Hα-helixtrans-65.1-43.5174-71.7173.6000111.6I1306 V1307 L1312 L1313 L1314I1306-L1310 HydrophobicContact CG2-CD1 3.92Å; I1306-L1310 HydrophobicContact CG2-CG 4.4Å; I1306-L1310 WeakPolarHBondContact O-CB 3.3Å; I1306-L1310 WeakPolarHBondContact O-CG 3.36Å; I1306-L1310 PolarHBondContact O-N 2.88Å; V1307-L1310 PolarHBondContact O-N 3.35Å; L1310-L1312 VanDerWaalsContact C-N 3.31Å; L1310-L1312 PolarHBondContact O-N 2.68Å; L1310-L1313 PolarHBondContact O-N 2.84Å; L1310-L1314 WeakPolarHBondContact O-CB 3.34Å; L1310-L1314 WeakPolarHBondContact O-CG 2.87Å; L1310-L1314 PolarHBondContact O-N 3.32Å
1311L90.3Very high83.2Confident58 Ų5859.8 Ų59.830%0.30431%0.306SS..Hα-helixtrans-62.2-38.2175.2-72.8172.7000112.2F1186 V1307 Y1308 L1314 T1315F1186-L1311 HydrophobicContact CD2-CB 3.77Å; F1186-L1311 HydrophobicContact CE1-CD1 4.36Å; F1186-L1311 HydrophobicContact CE2-CB 3.81Å; F1186-L1311 HydrophobicContact CG-CB 4.3Å; F1186-L1311 HydrophobicContact CZ-CB 4.37Å; F1186-L1311 HydrophobicContact CZ-CD1 4.3Å; V1307-L1311 HydrophobicContact CG1-CD1 3.97Å; V1307-L1311 HydrophobicContact CG1-CG 4.42Å; V1307-L1311 WeakPolarHBondContact O-CB 3.44Å; V1307-L1311 VanDerWaalsContact O-CG 3.3Å; V1307-L1311 WeakPolarHBondContact O-CG 3.46Å; V1307-L1311 PolarHBondContact O-N 3.46Å; Y1308-L1311 HydrophobicContact CD1-CD1 4.13Å; Y1308-L1311 PolarHBondContact O-N 3.32Å; L1311-L1314 PolarHBondContact O-N 3Å; L1311-T1315 WeakPolarHBondContact O-CB 3.47Å; L1311-T1315 WeakPolarHBondContact O-CG2 3.39Å; L1311-T1315 PolarHBondContact O-N 3.22Å; L1311-T1315 PolarHBondContact O-OG1 3.4Å
1312L89.2Confident80.8Confident10 Ų1066.6 Ų66.65%0.05233%0.332CS..Hα-helixtrans-64-46.4174-178.965.5000111.2W1130 Y1185 Y1308 S1309 L1310 L1314 T1315 E1316W1130-L1312 HydrophobicContact CD2-CD2 3.93Å; W1130-L1312 HydrophobicContact CE3-CD2 3.84Å; W1130-L1312 HydrophobicContact CG-CD2 4.48Å; W1130-L1312 HydrophobicContact CH2-CD1 3.8Å; W1130-L1312 HydrophobicContact CH2-CD2 4.33Å; W1130-L1312 HydrophobicContact CH2-CG 4.47Å; W1130-L1312 HydrophobicContact CZ2-CD1 3.83Å; W1130-L1312 HydrophobicContact CZ2-CD2 4.42Å; W1130-L1312 HydrophobicContact CZ2-CG 4.29Å; W1130-L1312 HydrophobicContact CZ3-CD1 4.29Å; W1130-L1312 HydrophobicContact CZ3-CD2 4.05Å; Y1185-L1312 HydrophobicContact CD2-CD2 3.9Å; Y1185-L1312 HydrophobicContact CG-CD2 4.33Å; Y1308-L1312 VanDerWaalsContact O-CB 3.32Å; Y1308-L1312 WeakPolarHBondContact O-CB 2.9Å; Y1308-L1312 PolarHBondContact O-N 3.43Å; S1309-L1312 PolarHBondContact O-N 2.91Å; L1310-L1312 VanDerWaalsContact C-N 3.31Å; L1310-L1312 PolarHBondContact O-N 2.68Å; L1312-L1314 PolarHBondContact O-N 3.34Å; L1312-T1315 WeakPolarHBondContact CA-OG1 3.48Å; L1312-T1315 PolarHBondContact O-N 2.9Å; L1312-T1315 PolarHBondContact O-OG1 3.28Å; L1312-E1316 WeakPolarHBondContact O-CB 3.29Å; L1312-E1316 PolarHBondContact O-N 3.16Å
1313L87.5Confident78.7Confident79 Ų7967.5 Ų67.541%0.41434%0.336SS..Hα-helixtrans-64.4-39.7176.4-70.3173.4000111.6S1309 L1310 E1316 T1317S1309-L1313 WeakPolarHBondContact O-CG 3.43Å; S1309-L1313 PolarHBondContact O-N 2.74Å; L1310-L1313 PolarHBondContact O-N 2.84Å; L1313-E1316 PolarHBondContact O-N 3.46Å; L1313-T1317 VanDerWaalsContact O-CB 3.26Å; L1313-T1317 WeakPolarHBondContact O-CB 3.44Å; L1313-T1317 WeakPolarHBondContact O-CG2 3.41Å; L1313-T1317 PolarHBondContact O-N 3.05Å; L1313-T1317 PolarHBondContact O-OG1 3.39Å
1314L84.4Confident76.7Confident76 Ų7666.3 Ų66.340%0.39834%0.338SS..Hα-helixtrans-64.5-42176.8-74.4169.6000112.1L1310 L1311 L1312 T1317 Y1319 P1320L1310-L1314 WeakPolarHBondContact O-CB 3.34Å; L1310-L1314 WeakPolarHBondContact O-CG 2.87Å; L1310-L1314 PolarHBondContact O-N 3.32Å; L1311-L1314 PolarHBondContact O-N 3Å; L1312-L1314 PolarHBondContact O-N 3.34Å; L1314-T1317 PolarHBondContact O-OG1 3.48Å; L1314-Y1319 HydrophobicContact CD2-CD1 4.22Å; L1314-P1320 WeakPolarHBondContact O-CD 3.34Å
1315T80.6Confident74.5Confident46 Ų4667.6 Ų67.628%0.28235%0.346SS..Hα-helixtrans-68.4-37.7177.648.70000112F1186 L1311 L1312F1186-T1315 HydrophobicContact CD2-CG2 4.14Å; F1186-T1315 HydrophobicContact CE2-CG2 3.7Å; L1311-T1315 WeakPolarHBondContact O-CB 3.47Å; L1311-T1315 WeakPolarHBondContact O-CG2 3.39Å; L1311-T1315 PolarHBondContact O-N 3.22Å; L1311-T1315 PolarHBondContact O-OG1 3.4Å; L1312-T1315 WeakPolarHBondContact CA-OG1 3.48Å; L1312-T1315 PolarHBondContact O-N 2.9Å; L1312-T1315 PolarHBondContact O-OG1 3.28Å
1316E79.7Confident72.6Confident54 Ų5471.9 Ų71.925%0.25237%0.371SS..Hα-helixtrans-82.6-29-177.7-158.269.3-166.200113.7K1116 L1126 W1130 L1312 L1313 E1318K1116-E1316 WeakPolarHBondContact CE-OE1 3.16Å; K1116-E1316 IonicContact NZ-OE1 3.45Å; K1116-E1316 PolarHBondContact NZ-OE1 3.35Å; K1116-E1316 IonicContact NZ-OE2 3.68Å; K1116-E1316 PolarHBondContact NZ-OE2 3.23Å; L1126-E1316 HydrophobicContact CD1-CB 4.19Å; L1126-E1316 HydrophobicContact CD1-CG 3.39Å; W1130-E1316 HydrophobicContact CZ2-CG 4.35Å; L1312-E1316 WeakPolarHBondContact O-CB 3.29Å; L1312-E1316 PolarHBondContact O-N 3.16Å; L1313-E1316 PolarHBondContact O-N 3.46Å; E1316-E1318 PolarHBondContact O-N 2.9Å
1317T72.1Confident70.5Confident62 Ų6273.7 Ų73.738%0.3838%0.382SS..THydrogen-bonded Turntrans-76.81.6175.153.80000113.5L1126 L1313 L1314 Y1319L1126-T1317 HydrophobicContact CD2-CG2 3.91Å; L1313-T1317 VanDerWaalsContact O-CB 3.26Å; L1313-T1317 WeakPolarHBondContact O-CB 3.44Å; L1313-T1317 WeakPolarHBondContact O-CG2 3.41Å; L1313-T1317 PolarHBondContact O-N 3.05Å; L1313-T1317 PolarHBondContact O-OG1 3.39Å; L1314-T1317 PolarHBondContact O-OG1 3.48Å; T1317-Y1319 PolarHBondContact O-N 3.06Å
1318E61.7Low68.5Low110 Ų11074.9 Ų74.951%0.51438%0.382SS..THydrogen-bonded Turntrans51.318-173.6-62-170161.500113.6E1316 Y1321 R1322E1316-E1318 PolarHBondContact O-N 2.9Å; E1318-Y1321 CarbonylContact O-C 3.58Å; E1318-Y1321 WeakPolarHBondContact O-CA 3.23Å; E1318-Y1321 WeakPolarHBondContact O-CB 3.33Å; E1318-Y1321 PolarHBondContact O-N 2.63Å; E1318-R1322 PolarHBondContact O-N 2.82Å
1319Y51.1Low66.4Low128 Ų12877.4 Ų77.450%0.50240%0.399SS..Hα-helixtrans-56.4-43.2-178.3-166-97.2000113.9L1314 T1317 Y1321 R1322 T1323L1314-Y1319 HydrophobicContact CD2-CD1 4.22Å; T1317-Y1319 PolarHBondContact O-N 3.06Å; Y1319-Y1321 VanDerWaalsContact C-N 3.27Å; Y1319-Y1321 PolarHBondContact O-N 2.94Å; Y1319-R1322 CarbonylContact O-C 3.53Å; Y1319-R1322 WeakPolarHBondContact O-CA 3.47Å; Y1319-R1322 WeakPolarHBondContact O-CB 2.98Å; Y1319-R1322 PolarHBondContact O-N 2.66Å; Y1319-R1322 VanDerWaalsContact O-N 3.08Å; Y1319-T1323 HydrophobicContact CD1-CG2 3.89Å; Y1319-T1323 HydrophobicContact CE1-CG2 3.47Å; Y1319-T1323 VanDerWaalsContact CE1-CG2 3.47Å; Y1319-T1323 PolarHBondContact O-N 2.95Å; Y1319-T1323 PolarHBondContact O-OG1 3.16Å
1320P50.4Low64.7Low66 Ų6679.5 Ų79.543%0.42941%0.41SS..Hα-helixtrans-66.4-27.7174.923.8-30.9000112.7L1314 T1323 A1324L1314-P1320 WeakPolarHBondContact O-CD 3.34Å; P1320-T1323 WeakPolarHBondContact CA-OG1 3.47Å; P1320-T1323 PolarHBondContact O-OG1 2.75Å; P1320-A1324 WeakPolarHBondContact O-CB 3.49Å; P1320-A1324 PolarHBondContact O-N 3.32Å
1321Y51.2Low62.7Low125 Ų12580.2 Ų80.249%0.4941%0.414SS..Hα-helixtrans-74.6-34.8170.6-169.5-107.1000111.1E1318 Y1319 N1325E1318-Y1321 CarbonylContact O-C 3.58Å; E1318-Y1321 WeakPolarHBondContact O-CA 3.23Å; E1318-Y1321 WeakPolarHBondContact O-CB 3.33Å; E1318-Y1321 PolarHBondContact O-N 2.63Å; Y1319-Y1321 VanDerWaalsContact C-N 3.27Å; Y1319-Y1321 PolarHBondContact O-N 2.94Å; Y1321-N1325 WeakPolarHBondContact CE1-ND2 3.39Å; Y1321-N1325 WeakPolarHBondContact O-CB 3.25Å; Y1321-N1325 PolarHBondContact O-N 2.63Å; Y1321-N1325 PolarHBondContact OH-ND2 3.17Å
1322R47.5Very low60.6Low142 Ų14281.6 Ų81.654%0.53642%0.415SS..Hα-helixtrans-62.2-47.9170.2-72.8-178.4177.6-175.3-0.7111.4E1318 Y1319 V1326E1318-R1322 PolarHBondContact O-N 2.82Å; Y1319-R1322 CarbonylContact O-C 3.53Å; Y1319-R1322 WeakPolarHBondContact O-CA 3.47Å; Y1319-R1322 WeakPolarHBondContact O-CB 2.98Å; Y1319-R1322 PolarHBondContact O-N 2.66Å; Y1319-R1322 VanDerWaalsContact O-N 3.08Å; R1322-V1326 WeakPolarHBondContact O-CB 3.46Å; R1322-V1326 WeakPolarHBondContact O-CG2 3.43Å; R1322-V1326 PolarHBondContact O-N 2.8Å
1323T50.9Low58.6Low62 Ų6284.3 Ų84.338%0.3843%0.434SS..Hα-helixtrans-73.6-40.6179.756.90000111.8Y1319 P1320 N1325 V1326 L1327Y1319-T1323 HydrophobicContact CD1-CG2 3.89Å; Y1319-T1323 HydrophobicContact CE1-CG2 3.47Å; Y1319-T1323 VanDerWaalsContact CE1-CG2 3.47Å; Y1319-T1323 PolarHBondContact O-N 2.95Å; Y1319-T1323 PolarHBondContact O-OG1 3.16Å; P1320-T1323 WeakPolarHBondContact CA-OG1 3.47Å; P1320-T1323 PolarHBondContact O-OG1 2.75Å; T1323-N1325 PolarHBondContact O-N 2.92Å; T1323-V1326 PolarHBondContact O-N 3.42Å; T1323-L1327 WeakPolarHBondContact O-CB 3.48Å; T1323-L1327 PolarHBondContact O-N 3Å
1324A53.5Low56.5Low54 Ų5486 Ų8645%0.44645%0.452SS..Hα-helixtrans-65.7-37.7175.300000111.9P1320 H1328P1320-A1324 WeakPolarHBondContact O-CB 3.49Å; P1320-A1324 PolarHBondContact O-N 3.32Å; A1324-H1328 WeakPolarHBondContact O-CA 3.18Å; A1324-H1328 WeakPolarHBondContact O-CB 3.31Å; A1324-H1328 PolarHBondContact O-N 3.32Å
1325N50.4Low54.3Low39 Ų3992.9 Ų92.921%0.20947%0.472CS..Hα-helixtrans-77.1-33.5172.5-83.6-10.6000112.9Y1321 T1323 N1329Y1321-N1325 WeakPolarHBondContact CE1-ND2 3.39Å; Y1321-N1325 WeakPolarHBondContact O-CB 3.25Å; Y1321-N1325 PolarHBondContact O-N 2.63Å; Y1321-N1325 PolarHBondContact OH-ND2 3.17Å; T1323-N1325 PolarHBondContact O-N 2.92Å; N1325-N1329 WeakPolarHBondContact O-CA 3.14Å; N1325-N1329 WeakPolarHBondContact O-CB 3.37Å; N1325-N1329 PolarHBondContact O-N 2.85Å; N1325-N1329 PolarHBondContact O-ND2 3.41Å; N1325-N1329 PolarHBondContact O-OD1 2.98Å
1326V54.4Low52.1Low89 Ų8994.4 Ų94.454%0.53948%0.476SS..Hα-helixtrans-66.7-44172.8167.90000108.9R1322 T1323 N1329 V1330R1322-V1326 WeakPolarHBondContact O-CB 3.46Å; R1322-V1326 WeakPolarHBondContact O-CG2 3.43Å; R1322-V1326 PolarHBondContact O-N 2.8Å; T1323-V1326 PolarHBondContact O-N 3.42Å; V1326-N1329 CarbonylContact O-C 3.55Å; V1326-N1329 PolarHBondContact O-N 3.33Å; V1326-V1330 HydrophobicContact CG1-CG2 3.98Å; V1326-V1330 WeakPolarHBondContact O-CA 3.5Å; V1326-V1330 WeakPolarHBondContact O-CB 3.45Å; V1326-V1330 WeakPolarHBondContact O-CG2 3.45Å; V1326-V1330 PolarHBondContact O-N 3.13Å
1327L51.1Low50Low112 Ų112100.6 Ų100.659%0.58651%0.505SS*.Hα-helixtrans-64.5-44.8174-159.883.9000111T1323 N1329 V1330 L1331T1323-L1327 WeakPolarHBondContact O-CB 3.48Å; T1323-L1327 PolarHBondContact O-N 3Å; L1327-N1329 PolarHBondContact O-N 2.89Å; L1327-V1330 PolarHBondContact O-N 3Å; L1327-L1331 HydrophobicContact CD2-CD1 4.24Å; L1327-L1331 HydrophobicContact CG-CD1 3.99Å; L1327-L1331 WeakPolarHBondContact O-CB 3.37Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.49Å; L1327-L1331 WeakPolarHBondContact O-CG 3.44Å; L1327-L1331 PolarHBondContact O-N 3.08Å
1328H53.3Low48.4Very low90 Ų9099.7 Ų99.742%0.41751%0.508SS..Hα-helixtrans-65.4-37.4175.6-174.675000111.8A1324 R1332A1324-H1328 WeakPolarHBondContact O-CA 3.18Å; A1324-H1328 WeakPolarHBondContact O-CB 3.31Å; A1324-H1328 PolarHBondContact O-N 3.32Å; H1328-R1332 PolarHBondContact NE2-NH1 3.48Å; H1328-R1332 VanDerWaalsContact NE2-NH1 3.15Å; H1328-R1332 WeakPolarHBondContact O-CB 3.21Å; H1328-R1332 PolarHBondContact O-N 2.82Å
1329N51.1Low47.5Very low93 Ų9396.8 Ų96.850%0.49750%0.495SS..Hα-helixtrans-79-25.7177.1-69.3-18.4000112.2N1325 V1326 L1327 R1332 S1333N1325-N1329 WeakPolarHBondContact O-CA 3.14Å; N1325-N1329 WeakPolarHBondContact O-CB 3.37Å; N1325-N1329 PolarHBondContact O-N 2.85Å; N1325-N1329 PolarHBondContact O-ND2 3.41Å; N1325-N1329 PolarHBondContact O-OD1 2.98Å; V1326-N1329 CarbonylContact O-C 3.55Å; V1326-N1329 PolarHBondContact O-N 3.33Å; L1327-N1329 PolarHBondContact O-N 2.89Å; N1329-R1332 CarbonylContact O-C 3.58Å; N1329-S1333 WeakPolarHBondContact O-CA 3.14Å; N1329-S1333 WeakPolarHBondContact O-CB 3.5Å; N1329-S1333 PolarHBondContact O-N 3.34Å
1330V56Low46.8Very low77 Ų7797.8 Ų97.847%0.46751%0.509SS..Hα-helixtrans-79.8-45.9173.31670000108.8V1326 L1327 R1332 S1333 C1334V1326-V1330 HydrophobicContact CG1-CG2 3.98Å; V1326-V1330 WeakPolarHBondContact O-CA 3.5Å; V1326-V1330 WeakPolarHBondContact O-CB 3.45Å; V1326-V1330 WeakPolarHBondContact O-CG2 3.45Å; V1326-V1330 PolarHBondContact O-N 3.13Å; L1327-V1330 PolarHBondContact O-N 3Å; V1330-R1332 PolarHBondContact O-N 3.48Å; V1330-S1333 PolarHBondContact O-N 3.37Å; V1330-C1334 PolarHBondContact O-N 2.86Å; V1330-C1334 PolarHBondContact O-SG 3.02Å; V1330-C1334 VanDerWaalsContact O-SG 3.41Å
1331L50.8Low46Very low113 Ų11396.5 Ų96.559%0.59251%0.508SS*.Hα-helixtrans-57.3-36.9167.5-74.6162.4000111L1327 R1335L1327-L1331 HydrophobicContact CD2-CD1 4.24Å; L1327-L1331 HydrophobicContact CG-CD1 3.99Å; L1327-L1331 WeakPolarHBondContact O-CB 3.37Å; L1327-L1331 WeakPolarHBondContact O-CD1 3.49Å; L1327-L1331 WeakPolarHBondContact O-CG 3.44Å; L1327-L1331 PolarHBondContact O-N 3.08Å; L1331-R1335 VanDerWaalsContact O-CB 3.3Å; L1331-R1335 WeakPolarHBondContact O-CB 3.46Å; L1331-R1335 PolarHBondContact O-N 2.79Å; L1331-R1335 VanDerWaalsContact O-N 3.15Å
1332R45.8Very low45.2Very low86 Ų8698.7 Ų98.733%0.32552%0.515SS..Hα-helixtrans-76.7-31.2169.1-103.1-179.3152.7141.2-2.7114H1328 N1329 V1330 C1334 R1335 Q1336H1328-R1332 PolarHBondContact NE2-NH1 3.48Å; H1328-R1332 VanDerWaalsContact NE2-NH1 3.15Å; H1328-R1332 WeakPolarHBondContact O-CB 3.21Å; H1328-R1332 PolarHBondContact O-N 2.82Å; N1329-R1332 CarbonylContact O-C 3.58Å; V1330-R1332 PolarHBondContact O-N 3.48Å; R1332-C1334 PolarHBondContact O-N 3.43Å; R1332-R1335 CarbonylContact O-C 3.42Å; R1332-R1335 PolarHBondContact O-N 2.73Å; R1332-Q1336 VanDerWaalsContact O-CA 3.24Å; R1332-Q1336 WeakPolarHBondContact O-CA 3.43Å; R1332-Q1336 WeakPolarHBondContact O-CB 3.31Å; R1332-Q1336 PolarHBondContact O-N 3.26Å
1333S47.6Very low44.9Very low67 Ų6796.1 Ų96.147%0.46951%0.511SS..Hα-helixtrans-69.5-32.6178.3-1650000109.6N1329 V1330 H1337N1329-S1333 WeakPolarHBondContact O-CA 3.14Å; N1329-S1333 WeakPolarHBondContact O-CB 3.5Å; N1329-S1333 PolarHBondContact O-N 3.34Å; V1330-S1333 PolarHBondContact O-N 3.37Å; S1333-H1337 PolarHBondContact O-ND1 2.96Å; S1333-H1337 VanDerWaalsContact O-ND1 3.1Å
1334C42Very low44.2Very low115 Ų115103 Ų10378%0.77753%0.531SS*.Hα-helixtrans-70.8-30.7167.1-66.60000112.6V1330 R1332V1330-C1334 PolarHBondContact O-N 2.86Å; V1330-C1334 PolarHBondContact O-SG 3.02Å; V1330-C1334 VanDerWaalsContact O-SG 3.41Å; R1332-C1334 PolarHBondContact O-N 3.43Å
1335R39.6Very low43.4Very low220 Ų220105.7 Ų105.783%0.8354%0.537SS*.Hα-helixtrans-95.3-10.3-179.4-163.1171.7170-178.3-1.6115L1331 R1332L1331-R1335 VanDerWaalsContact O-CB 3.3Å; L1331-R1335 WeakPolarHBondContact O-CB 3.46Å; L1331-R1335 PolarHBondContact O-N 2.79Å; L1331-R1335 VanDerWaalsContact O-N 3.15Å; R1332-R1335 CarbonylContact O-C 3.42Å; R1332-R1335 PolarHBondContact O-N 2.73Å
1336Q34.5Very low42.6Very low78 Ų78107.5 Ų107.536%0.36454%0.543SS..  trans-150.459.7-163.6-116.4171.6-11.700112.4R1332 G1338 I1339R1332-Q1336 VanDerWaalsContact O-CA 3.24Å; R1332-Q1336 WeakPolarHBondContact O-CA 3.43Å; R1332-Q1336 WeakPolarHBondContact O-CB 3.31Å; R1332-Q1336 PolarHBondContact O-N 3.26Å; Q1336-G1338 PolarHBondContact O-N 3.32Å; Q1336-I1339 HydrophobicContact CB-CD1 4.25Å; Q1336-I1339 HydrophobicContact CB-CG1 4.44Å; Q1336-I1339 HydrophobicContact CG-CD1 3.89Å; Q1336-I1339 HydrophobicContact CG-CG1 3.86Å
1337H34.4Very low41.7Very low185 Ų185112 Ų11286%0.85655%0.55SS**THydrogen-bonded Turntrans-65.718.6149.3-90.269.2000113.2S1333S1333-H1337 PolarHBondContact O-ND1 2.96Å; S1333-H1337 VanDerWaalsContact O-ND1 3.1Å
1338G39.9Very low40.8Very low42 Ų42110.7 Ų110.743%0.43355%0.55SS.*THydrogen-bonded Turntrans-118.7-4-17500000117.2Q1336 G1341 W1342Q1336-G1338 PolarHBondContact O-N 3.32Å; G1338-G1341 PolarHBondContact O-N 2.83Å; G1338-W1342 PolarHBondContact O-N 3.12Å
1339I41.2Very low39.9Very low50 Ų50114.9 Ų114.926%0.25657%0.568SS.*Hα-helixtrans-79.2-25.4-175.2-75.1171.4000113.6Q1336 G1341 L1343Q1336-I1339 HydrophobicContact CB-CD1 4.25Å; Q1336-I1339 HydrophobicContact CB-CG1 4.44Å; Q1336-I1339 HydrophobicContact CG-CD1 3.89Å; Q1336-I1339 HydrophobicContact CG-CG1 3.86Å; I1339-G1341 PolarHBondContact O-N 3.16Å; I1339-L1343 HydrophobicContact CG2-CD1 4.12Å
1340N36.7Very low39Very low149 Ų149115.4 Ų115.480%0.79757%0.57SS**Hα-helixtrans-70.2-22.2175.1-70.8-6.6000112.3
1341G34.9Very low37.8Very low38 Ų38115.2 Ų115.239%0.39258%0.583SS.*Hα-helixtrans-82.3-43.1174.500000113.5G1338 I1339 L1343 R1344 L1345G1338-G1341 PolarHBondContact O-N 2.83Å; I1339-G1341 PolarHBondContact O-N 3.16Å; G1341-L1343 PolarHBondContact O-N 3.24Å; G1341-R1344 PolarHBondContact O-N 2.84Å; G1341-L1345 PolarHBondContact O-N 3.27Å
1342W34Very low36.9Very low171 Ų171113.6 Ų113.665%0.64860%0.595SS**Hα-helixtrans-70.8-30.9-172.6-158.476.8000113.9G1338 L1345 K1346G1338-W1342 PolarHBondContact O-N 3.12Å; W1342-L1345 PolarHBondContact O-N 2.97Å; W1342-K1346 HydrophobicContact CE3-CD 4.46Å; W1342-K1346 HydrophobicContact CH2-CD 3.62Å; W1342-K1346 HydrophobicContact CZ2-CD 4.09Å; W1342-K1346 HydrophobicContact CZ3-CD 3.81Å; W1342-K1346 PolarHBondContact O-N 2.9Å
1343L41Very low36.6Very low88 Ų88114.3 Ų114.346%0.46161%0.608SS.*Hα-helixtrans-73.7-26.9174.4-84.9160.2000113.3I1339 G1341I1339-L1343 HydrophobicContact CG2-CD1 4.12Å; G1341-L1343 PolarHBondContact O-N 3.24Å
1344R36.1Very low36.5Very low208 Ų208119.9 Ų119.979%0.78563%0.627SS**Hα-helixtrans-76-38.4168.9-78.4-173.1-172.7-179.72.8111.7G1341 R1347G1341-R1344 PolarHBondContact O-N 2.84Å; R1344-R1347 PolarHBondContact O-N 2.87Å
1345L36.2Very low36.9Very low110 Ų110118.7 Ų118.758%0.57661%0.61SS**Hα-helixtrans-71.6-27.8179-97.9141000114.2G1341 W1342 S1348G1341-L1345 PolarHBondContact O-N 3.27Å; W1342-L1345 PolarHBondContact O-N 2.97Å; L1345-S1348 PolarHBondContact O-N 2.87Å; L1345-S1348 PolarHBondContact O-OG 3.24Å
1346K33.8Very low37.8Very low77 Ų77108.8 Ų108.834%0.33558%0.575SS.*Hα-helixtrans-79-19.8176.6-136.3-178.8-169.6-112.40114.3W1342 S1348 F1349 D1350W1342-K1346 HydrophobicContact CE3-CD 4.46Å; W1342-K1346 HydrophobicContact CH2-CD 3.62Å; W1342-K1346 HydrophobicContact CZ2-CD 4.09Å; W1342-K1346 HydrophobicContact CZ3-CD 3.81Å; W1342-K1346 PolarHBondContact O-N 2.9Å; K1346-S1348 PolarHBondContact O-N 2.04Å; K1346-F1349 PolarHBondContact O-N 2.86Å; K1346-D1350 VanDerWaalsContact NZ-CG 3.3Å; K1346-D1350 IonicContact NZ-OD1 2.89Å; K1346-D1350 PolarHBondContact NZ-OD1 3.13Å; K1346-D1350 VanDerWaalsContact NZ-OD1 3.11Å; K1346-D1350 IonicContact NZ-OD2 3.43Å; K1346-D1350 PolarHBondContact NZ-OD2 3.37Å; K1346-D1350 PolarHBondContact O-N 3.25Å
1347R35.4Very low39Very low184 Ų184112.3 Ų112.369%0.69459%0.593SS**THydrogen-bonded Turntrans-61.4-21.4166.1-94.1-176.1174.8161.51.1112.2R1344R1344-R1347 PolarHBondContact O-N 2.87Å
1348S32.8Very low40.3Very low83 Ų83106.3 Ų106.358%0.5857%0.567SS**THydrogen-bonded Turntrans-95.4-10177.427.90000115.1L1345 K1346L1345-S1348 PolarHBondContact O-N 2.87Å; L1345-S1348 PolarHBondContact O-OG 3.24Å; K1346-S1348 PolarHBondContact O-N 2.04Å
1349F34.3Very low41.5Very low179 Ų179104.5 Ų104.579%0.78555%0.548SS*.THydrogen-bonded Turntrans-126.7-16.9-171.5-107.4-84.5000116.8K1346 G1351K1346-F1349 PolarHBondContact O-N 2.86Å; F1349-G1351 PolarHBondContact O-N 3.35Å
1350D33Very low42.5Very low104 Ų104106.1 Ų106.156%0.55656%0.557SS**SBendtrans-81.5105.3167.2-83.9-14.3000108.4K1346 G1352K1346-D1350 VanDerWaalsContact NZ-CG 3.3Å; K1346-D1350 IonicContact NZ-OD1 2.89Å; K1346-D1350 PolarHBondContact NZ-OD1 3.13Å; K1346-D1350 VanDerWaalsContact NZ-OD1 3.11Å; K1346-D1350 IonicContact NZ-OD2 3.43Å; K1346-D1350 PolarHBondContact NZ-OD2 3.37Å; K1346-D1350 PolarHBondContact O-N 3.25Å; D1350-G1352 PolarHBondContact O-N 3.43Å
1351G30.3Very low43.6Very low72 Ų72101.5 Ų101.574%0.74254%0.539SS*.  trans-53.3129.1-177.600000113.7F1349 T1353F1349-G1351 PolarHBondContact O-N 3.35Å; G1351-T1353 PolarHBondContact O-N 2.88Å; G1351-T1353 VanDerWaalsContact O-N 3.07Å
1352G31.5Very low45.3Very low80 Ų80100.4 Ų100.483%0.82552%0.524SS*.  trans59.635134.700000118.4D1350 Q1354D1350-G1352 PolarHBondContact O-N 3.43Å; G1352-Q1354 PolarHBondContact O-N 2.96Å
1353T40.3Very low46.8Very low100 Ų10093.9 Ų93.961%0.61350%0.504SS*.  trans-86.295.2154.414.10000107.5G1351 Q1355G1351-T1353 PolarHBondContact O-N 2.88Å; G1351-T1353 VanDerWaalsContact O-N 3.07Å; T1353-Q1355 PolarHBondContact O-N 2.96Å
1354Q45.6Very low47.8Very low185 Ų18594.6 Ų94.686%0.86451%0.508SS*.  trans-55.899.7172-79179.5-24.100109.2G1352 S1356G1352-Q1354 PolarHBondContact O-N 2.96Å; Q1354-S1356 PolarHBondContact O-N 2.69Å
1355Q49.9Very low49.2Very low89 Ų8987.5 Ų87.542%0.41649%0.488SS..  trans-64.3131.8163-72.8-177.3-13.400107.5T1353T1353-Q1355 PolarHBondContact O-N 2.96Å
1356S57.9Low50.4Low13 Ų1382.4 Ų82.49%0.09146%0.461CS..  trans-63.3147.5179.971.40000110.9Q1354 N1358 V1359 L1360 K1608 Y1620Q1354-S1356 PolarHBondContact O-N 2.69Å; S1356-N1358 PolarHBondContact O-N 3.29Å; S1356-V1359 WeakPolarHBondContact O-CB 3.3Å; S1356-V1359 PolarHBondContact O-N 3.3Å; S1356-V1359 WeakPolarHBondContact OG-CG2 3.39Å; S1356-L1360 PolarHBondContact O-N 2.68Å; S1356-K1608 PolarHBondContact N-O 2.84Å; S1356-K1608 PolarHBondContact OG-O 3.38Å; S1356-Y1620 WeakPolarHBondContact CB-OH 3.28Å
1357M60Low51.7Low151 Ų15181 Ų8174%0.74446%0.464SS*.Hα-helixtrans-50.4-31.9176.3-163.7166.180.200112.9V1359 L1360 A1361M1357-V1359 PolarHBondContact O-N 3.42Å; M1357-L1360 PolarHBondContact O-N 2.92Å; M1357-A1361 WeakPolarHBondContact O-CB 3.28Å; M1357-A1361 PolarHBondContact O-N 3.21Å
1358N61.8Low52.7Low59 Ų5979.7 Ų79.732%0.31647%0.466SS..Hα-helixtrans-66.3-34.1176.6-6110.8000113.1S1356 E1362 I1610S1356-N1358 PolarHBondContact O-N 3.29Å; N1358-E1362 WeakPolarHBondContact O-CB 3.4Å; N1358-E1362 PolarHBondContact O-N 3.1Å; N1358-I1610 WeakPolarHBondContact CB-O 3.41Å; N1358-I1610 PolarHBondContact ND2-O 3.1Å
1359V64.1Low53.9Low5 Ų576.9 Ų76.93%0.0345%0.445CS..Hα-helixtrans-74.1-37.5178.1174.70000110.8S1356 M1357 S1363 V1607 I1610S1356-V1359 WeakPolarHBondContact O-CB 3.3Å; S1356-V1359 PolarHBondContact O-N 3.3Å; S1356-V1359 WeakPolarHBondContact OG-CG2 3.39Å; M1357-V1359 PolarHBondContact O-N 3.42Å; V1359-S1363 VanDerWaalsContact O-CB 3.32Å; V1359-S1363 WeakPolarHBondContact O-CB 3Å; V1359-S1363 PolarHBondContact O-N 2.77Å; V1359-S1363 PolarHBondContact O-OG 2.92Å; V1359-V1607 HydrophobicContact CG1-CB 4.49Å; V1359-V1607 HydrophobicContact CG1-CG1 4.46Å; V1359-V1607 HydrophobicContact CG2-CG1 4.01Å; V1359-I1610 HydrophobicContact CG2-CD1 4.32Å; V1359-I1610 HydrophobicContact CG2-CG1 4.04Å
1360L63.6Low54.7Low84 Ų8473.1 Ų73.144%0.4443%0.433SS..Hα-helixtrans-65.7-48.6173.6-67.7170.7000110.4S1356 M1357 E1362 S1363 D1364S1356-L1360 PolarHBondContact O-N 2.68Å; M1357-L1360 PolarHBondContact O-N 2.92Å; L1360-E1362 VanDerWaalsContact C-N 3.34Å; L1360-E1362 PolarHBondContact O-N 3.01Å; L1360-S1363 CarbonylContact O-C 3.58Å; L1360-S1363 WeakPolarHBondContact O-CA 3.37Å; L1360-S1363 WeakPolarHBondContact O-CB 3.47Å; L1360-S1363 PolarHBondContact O-N 2.68Å; L1360-D1364 VanDerWaalsContact O-CG 3.3Å; L1360-D1364 PolarHBondContact O-N 2.95Å
1361A59.5Low55.5Low51 Ų5174 Ų7442%0.42144%0.438SS..Hα-helixtrans-57.2-44.3175.100000112.3M1357 S1363 D1364 V1365M1357-A1361 WeakPolarHBondContact O-CB 3.28Å; M1357-A1361 PolarHBondContact O-N 3.21Å; A1361-S1363 VanDerWaalsContact C-N 3.35Å; A1361-S1363 PolarHBondContact O-N 3.19Å; A1361-D1364 PolarHBondContact O-N 3.34Å; A1361-V1365 VanDerWaalsContact O-CG2 3.25Å; A1361-V1365 WeakPolarHBondContact O-CG2 3.45Å; A1361-V1365 PolarHBondContact O-N 3.43Å
1362E69.7Low56.3Low16 Ų1674.5 Ų74.58%0.07543%0.43CS..Hα-helixtrans-63.3-40.9174.6-169.678.7169.600111.7N1358 L1360 D1364 V1365 V1366 Q1401 R1598 I1610N1358-E1362 WeakPolarHBondContact O-CB 3.4Å; N1358-E1362 PolarHBondContact O-N 3.1Å; L1360-E1362 VanDerWaalsContact C-N 3.34Å; L1360-E1362 PolarHBondContact O-N 3.01Å; E1362-D1364 VanDerWaalsContact C-N 3.33Å; E1362-D1364 PolarHBondContact O-N 3.17Å; E1362-V1365 PolarHBondContact O-N 3.18Å; E1362-V1366 WeakPolarHBondContact O-CB 3.26Å; E1362-V1366 VanDerWaalsContact O-CG2 3.24Å; E1362-V1366 WeakPolarHBondContact O-CG2 3.49Å; E1362-V1366 PolarHBondContact O-N 3.4Å; E1362-Q1401 WeakPolarHBondContact OE1-CG 3.28Å; E1362-Q1401 PolarHBondContact OE1-N 2.84Å; E1362-Q1401 VanDerWaalsContact OE1-N 3.09Å; E1362-R1598 IonicContact OE1-CZ 3.99Å; E1362-R1598 IonicContact OE1-NH2 2.79Å; E1362-R1598 PolarHBondContact OE1-NH2 2.84Å; E1362-R1598 IonicContact OE2-NH2 3.51Å; E1362-R1598 PolarHBondContact OE2-NH2 2.77Å; E1362-I1610 HydrophobicContact CB-CD1 3.89Å; E1362-I1610 HydrophobicContact CG-CD1 3.76Å
1363S65.8Low56.7Low34 Ų3474.5 Ų74.524%0.23842%0.416CS..Hα-helixtrans-64.6-37.7178-61.60000111.9V1359 L1360 A1361 V1366 A1367V1359-S1363 VanDerWaalsContact O-CB 3.32Å; V1359-S1363 WeakPolarHBondContact O-CB 3Å; V1359-S1363 PolarHBondContact O-N 2.77Å; V1359-S1363 PolarHBondContact O-OG 2.92Å; L1360-S1363 CarbonylContact O-C 3.58Å; L1360-S1363 WeakPolarHBondContact O-CA 3.37Å; L1360-S1363 WeakPolarHBondContact O-CB 3.47Å; L1360-S1363 PolarHBondContact O-N 2.68Å; A1361-S1363 VanDerWaalsContact C-N 3.35Å; A1361-S1363 PolarHBondContact O-N 3.19Å; S1363-V1366 PolarHBondContact O-N 3.48Å; S1363-A1367 WeakPolarHBondContact O-CB 3.39Å; S1363-A1367 PolarHBondContact O-N 3.23Å
1364D63.3Low57Low102 Ų10273.8 Ų73.855%0.54541%0.414SS..Hα-helixtrans-66.6-42.8175.2-68-28.5000111.2L1360 A1361 E1362 A1367 Q1368L1360-D1364 VanDerWaalsContact O-CG 3.3Å; L1360-D1364 PolarHBondContact O-N 2.95Å; A1361-D1364 PolarHBondContact O-N 3.34Å; E1362-D1364 VanDerWaalsContact C-N 3.33Å; E1362-D1364 PolarHBondContact O-N 3.17Å; D1364-A1367 WeakPolarHBondContact O-CB 3.23Å; D1364-A1367 PolarHBondContact O-N 3.37Å; D1364-Q1368 WeakPolarHBondContact O-CG 3.45Å; D1364-Q1368 PolarHBondContact O-N 3.46Å
1365V63.7Low57.1Low59 Ų5972.8 Ų72.836%0.35841%0.407SS..Hα-helixtrans-63.6-43175.2175.90000111.1A1361 E1362 A1367 Q1368 Q1401A1361-V1365 VanDerWaalsContact O-CG2 3.25Å; A1361-V1365 WeakPolarHBondContact O-CG2 3.45Å; A1361-V1365 PolarHBondContact O-N 3.43Å; E1362-V1365 PolarHBondContact O-N 3.18Å; V1365-A1367 VanDerWaalsContact C-N 3.33Å; V1365-A1367 PolarHBondContact O-N 2.71Å; V1365-Q1368 WeakPolarHBondContact O-CB 3.49Å; V1365-Q1368 PolarHBondContact O-N 3.48Å; V1365-Q1401 VanDerWaalsContact CG1-NE2 3.32Å
1366V62.8Low57.5Low3 Ų375.2 Ų75.22%0.01842%0.423CS..Hα-helixtrans-67.8-32.7175.6171.30000111.8E1362 S1363 Q1368 V1369 V1382 K1383 Q1401E1362-V1366 WeakPolarHBondContact O-CB 3.26Å; E1362-V1366 VanDerWaalsContact O-CG2 3.24Å; E1362-V1366 WeakPolarHBondContact O-CG2 3.49Å; E1362-V1366 PolarHBondContact O-N 3.4Å; S1363-V1366 PolarHBondContact O-N 3.48Å; V1366-Q1368 PolarHBondContact O-N 3.09Å; V1366-V1369 WeakPolarHBondContact O-CB 2.96Å; V1366-V1369 PolarHBondContact O-N 3.12Å; V1366-V1369 VanDerWaalsContact O-N 3.08Å; V1366-V1382 VanDerWaalsContact CG1-O 3.29Å; V1366-V1382 WeakPolarHBondContact CG1-O 3.49Å; V1366-K1383 HydrophobicContact CG1-CB 3.91Å; V1366-K1383 HydrophobicContact CG1-CG 4.2Å; V1366-Q1401 HydrophobicContact CG2-CB 4.16Å; V1366-Q1401 HydrophobicContact CG2-CG 4.29Å
1367A61Low58Low47 Ų4777.7 Ų77.739%0.38845%0.445SS..Hα-helixtrans-62.2-33.3176.600000111.8S1363 D1364 V1365 V1369 K1383S1363-A1367 WeakPolarHBondContact O-CB 3.39Å; S1363-A1367 PolarHBondContact O-N 3.23Å; D1364-A1367 WeakPolarHBondContact O-CB 3.23Å; D1364-A1367 PolarHBondContact O-N 3.37Å; V1365-A1367 VanDerWaalsContact C-N 3.33Å; V1365-A1367 PolarHBondContact O-N 2.71Å; A1367-V1369 VanDerWaalsContact C-N 3.28Å; A1367-V1369 PolarHBondContact O-N 2.86Å; A1367-K1383 PolarHBondContact O-NZ 2.87Å
1368Q56.9Low58.7Low157 Ų15772.1 Ų72.173%0.73442%0.419SS*.THydrogen-bonded Turntrans-72.4-15.6175.2-64.7-1806.900113.9D1364 V1365 V1366 N1370D1364-Q1368 WeakPolarHBondContact O-CG 3.45Å; D1364-Q1368 PolarHBondContact O-N 3.46Å; V1365-Q1368 WeakPolarHBondContact O-CB 3.49Å; V1365-Q1368 PolarHBondContact O-N 3.48Å; V1366-Q1368 PolarHBondContact O-N 3.09Å; Q1368-N1370 PolarHBondContact O-N 3.09Å
1369V58Low59.8Low24 Ų2470.5 Ų70.515%0.14541%0.41CS..  trans-73.969169.2-170.60000108.9V1366 A1367V1366-V1369 WeakPolarHBondContact O-CB 2.96Å; V1366-V1369 PolarHBondContact O-N 3.12Å; V1366-V1369 VanDerWaalsContact O-N 3.08Å; A1367-V1369 VanDerWaalsContact C-N 3.28Å; A1367-V1369 PolarHBondContact O-N 2.86Å
1370N49.4Very low60.9Low100 Ų10070.3 Ų70.354%0.53541%0.409SS..  trans-86.8174165-79.6-23.2000110Q1368 S1372 K1383Q1368-N1370 PolarHBondContact O-N 3.09Å; N1370-S1372 PolarHBondContact O-N 3.36Å; N1370-K1383 PolarHBondContact OD1-NZ 2.9Å
1371D50.7Low62Low122 Ų12266.5 Ų66.565%0.65239%0.389SS*.SBendtrans-52.911.5-173.2-83.2-31.1000116.7R1445D1371-R1445 IonicContact OD1-NH1 2.66Å; D1371-R1445 PolarHBondContact OD1-NH1 3.3Å; D1371-R1445 IonicContact OD2-NH1 2.83Å; D1371-R1445 PolarHBondContact OD2-NH1 3.41Å; D1371-R1445 VanDerWaalsContact OD2-NH1 3.12Å
1372S46.1Very low63.3Low83 Ų8364 Ų6458%0.5837%0.369SS*.SBendtrans-107.6127.6173.554.50000112N1370 S1374N1370-S1372 PolarHBondContact O-N 3.36Å; S1372-S1374 PolarHBondContact O-N 3.41Å
1373P41.2Very low64Low81 Ų8165.6 Ų65.653%0.52638%0.376SS..  trans-79.4104.4-171.832.2-32.6000112.1K1375P1373-K1375 HydrophobicContact CB-CB 3.86Å; P1373-K1375 HydrophobicContact CB-CD 3.66Å; P1373-K1375 HydrophobicContact CB-CG 3.53Å; P1373-K1375 HydrophobicContact CG-CD 3.82Å; P1373-K1375 HydrophobicContact CG-CG 4.27Å; P1373-K1375 PolarHBondContact O-N 3.38Å
1374S45.9Very low65Low84 Ų8468.3 Ų68.359%0.58739%0.385SS*.  trans-71.473.4146.650.90000107.6S1372 D1376S1372-S1374 PolarHBondContact O-N 3.41Å; S1374-D1376 VanDerWaalsContact C-N 3.28Å; S1374-D1376 PolarHBondContact O-N 2.92Å; S1374-D1376 VanDerWaalsContact O-N 3.1Å
1375K48.1Very low66.1Low165 Ų16563.5 Ų63.572%0.71736%0.359SS*.THydrogen-bonded Turntrans-65.3-18.3-152.6-133.6155.4-162.9-175.90115.9P1373P1373-K1375 HydrophobicContact CB-CB 3.86Å; P1373-K1375 HydrophobicContact CB-CD 3.66Å; P1373-K1375 HydrophobicContact CB-CG 3.53Å; P1373-K1375 HydrophobicContact CG-CD 3.82Å; P1373-K1375 HydrophobicContact CG-CG 4.27Å; P1373-K1375 PolarHBondContact O-N 3.38Å
1376D57.6Low67.2Low140 Ų14061.6 Ų61.675%0.74935%0.348SS*.THydrogen-bonded Turntrans-109.7-22.9-162.1-65.8-26.2000115.6S1374S1374-D1376 VanDerWaalsContact C-N 3.28Å; S1374-D1376 PolarHBondContact O-N 2.92Å; S1374-D1376 VanDerWaalsContact O-N 3.1Å
1377A67.9Low68.3Low65 Ų6562.2 Ų62.254%0.53735%0.35SS..THydrogen-bonded Turntrans-96.1-42.1-174.300000114.1A1403 K1404A1377-A1403 CarbonylContact O-C 3.48Å; A1377-A1403 WeakPolarHBondContact O-CA 3.09Å; A1377-K1404 PolarHBondContact O-N 3.4Å
1378V75.9Confident69.2Low34 Ų3464.6 Ų64.621%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-98.1116.7-171.6-177.90000111I1380 Q1401V1378-I1380 WeakPolarHBondContact CG1-O 3.19Å; V1378-Q1401 HydrophobicContact CG1-CB 4Å; V1378-Q1401 VanDerWaalsContact CG2-OE1 3.29Å
1379M84.2Confident70.1Confident25 Ų2561.9 Ų61.912%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-92.1-37180-168.161.1-149.300112.7V1402 I1438 G1439 P1549 V1550 S1581M1379-V1402 PolarHBondContact N-O 2.93Å; M1379-I1438 HydrophobicContact CE-CG2 4.23Å; M1379-I1438 WeakPolarHBondContact O-CA 3.33Å; M1379-G1439 PolarHBondContact O-N 2.83Å; M1379-P1549 HydrophobicContact CE-CB 4.06Å; M1379-P1549 HydrophobicContact CE-CG 4.08Å; M1379-V1550 HydrophobicContact CE-CG2 3.4Å; M1379-V1550 HydrophobicContact CG-CG2 3.46Å; M1379-V1550 VanDerWaalsContact CG-CG2 3.46Å; M1379-V1550 HydrophobicContact SD-CG2 4.24Å; M1379-S1581 WeakPolarHBondContact CB-OG 3.42Å
1380I87.8Confident70.8Confident1 Ų163.6 Ų63.61%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-127.9125.9175.8-48.2174.5000108.7V1378 V1382 Q1401 V1402 F1437 V1550 L1552 L1583V1378-I1380 WeakPolarHBondContact CG1-O 3.19Å; I1380-V1382 HydrophobicContact CG2-CG2 4.16Å; I1380-Q1401 CarbonylContact O-C 3.36Å; I1380-Q1401 VanDerWaalsContact O-CA 3.27Å; I1380-Q1401 WeakPolarHBondContact O-CA 3.22Å; I1380-V1402 HydrophobicContact CB-CB 3.95Å; I1380-V1402 HydrophobicContact CB-CG2 4.12Å; I1380-V1402 HydrophobicContact CD1-CB 4.14Å; I1380-V1402 HydrophobicContact CD1-CG2 4.14Å; I1380-V1402 HydrophobicContact CG1-CB 4.19Å; I1380-V1402 PolarHBondContact N-O 3.21Å; I1380-V1402 VanDerWaalsContact N-O 3.09Å; I1380-V1402 PolarHBondContact O-N 3.12Å; I1380-F1437 CarbonylContact C-O 3.59Å; I1380-F1437 WeakPolarHBondContact CA-O 3.05Å; I1380-V1550 HydrophobicContact CD1-CG1 3.51Å; I1380-V1550 HydrophobicContact CG1-CG1 4Å; I1380-V1550 HydrophobicContact CG1-CG2 4.3Å; I1380-L1552 HydrophobicContact CD1-CD2 4.37Å; I1380-L1583 HydrophobicContact CD1-CB 4Å; I1380-L1583 HydrophobicContact CD1-CD2 4.24Å
1381G86.5Confident71.8Confident3 Ų366.8 Ų66.83%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-123.411617200000110.8V1436 F1437G1381-V1436 CarbonylContact O-C 3.37Å; G1381-V1436 WeakPolarHBondContact O-CA 3.45Å; G1381-F1437 PolarHBondContact N-O 2.74Å; G1381-F1437 PolarHBondContact O-N 2.91Å
1382V87.6Confident73Confident0 Ų067.3 Ų67.30%037%0.369CS..EExtended strand (participates in β ladder)trans-106.2117.8177.3-179.20000108.3V1366 I1380 L1385 S1399 F1400 L1425 V1436V1366-V1382 VanDerWaalsContact CG1-O 3.29Å; V1366-V1382 WeakPolarHBondContact CG1-O 3.49Å; I1380-V1382 HydrophobicContact CG2-CG2 4.16Å; V1382-L1385 HydrophobicContact CG1-CB 3.57Å; V1382-L1385 HydrophobicContact CG1-CD2 3.79Å; V1382-L1385 HydrophobicContact CG1-CG 4.22Å; V1382-S1399 WeakPolarHBondContact O-CA 3.36Å; V1382-F1400 HydrophobicContact CB-CD1 4.05Å; V1382-F1400 HydrophobicContact CB-CE1 3.92Å; V1382-F1400 HydrophobicContact CB-CG 4.43Å; V1382-F1400 HydrophobicContact CB-CZ 4.19Å; V1382-F1400 HydrophobicContact CG1-CD1 4.36Å; V1382-F1400 HydrophobicContact CG1-CE1 4.05Å; V1382-F1400 HydrophobicContact CG2-CD1 4.33Å; V1382-F1400 HydrophobicContact CG2-CD2 4.42Å; V1382-F1400 HydrophobicContact CG2-CE1 3.81Å; V1382-F1400 HydrophobicContact CG2-CE2 3.9Å; V1382-F1400 HydrophobicContact CG2-CZ 3.57Å; V1382-F1400 PolarHBondContact N-O 3.28Å; V1382-F1400 PolarHBondContact O-N 2.76Å; V1382-F1400 VanDerWaalsContact O-N 3.09Å; V1382-L1425 HydrophobicContact CG2-CD2 3.92Å; V1382-V1436 HydrophobicContact CG1-CG2 4.38Å; V1382-V1436 HydrophobicContact CG2-CG1 4.27Å; V1382-V1436 HydrophobicContact CG2-CG2 4.46Å
1383K84.3Confident74.6Confident49 Ų4966.1 Ų66.121%0.21336%0.355CS..EExtended strand (participates in β ladder)trans-117115.4-175.6-174.9171.4-175.5163.40111.2V1366 A1367 N1370 L1385 G1434 N1435V1366-K1383 HydrophobicContact CG1-CB 3.91Å; V1366-K1383 HydrophobicContact CG1-CG 4.2Å; A1367-K1383 PolarHBondContact O-NZ 2.87Å; N1370-K1383 PolarHBondContact OD1-NZ 2.9Å; K1383-L1385 PolarHBondContact O-N 3.36Å; K1383-L1385 VanDerWaalsContact O-N 3.13Å; K1383-G1434 CarbonylContact O-C 3.52Å; K1383-G1434 WeakPolarHBondContact O-CA 3.41Å; K1383-N1435 PolarHBondContact N-O 3.3Å; K1383-N1435 PolarHBondContact O-N 3.14Å
1384E85.1Confident76.6Confident91 Ų9162.6 Ų62.643%0.42533%0.333SS..EExtended strand (participates in β ladder)trans47.741174-59.2-173146.400113.7C1386 V1398 S1399 G1434E1384-C1386 PolarHBondContact O-N 2.79Å; E1384-C1386 PolarHBondContact O-SG 2.71Å; E1384-V1398 PolarHBondContact N-O 3Å; E1384-S1399 PolarHBondContact N-OG 3.42Å; E1384-G1434 WeakPolarHBondContact O-CA 3.49Å
1385L87.1Confident78.6Confident0 Ų058.6 Ų58.60%031%0.305CS..EExtended strand (participates in β ladder)trans-66128.6-171.8-16969.4000111.4V1382 K1383 V1395 N1397 V1398 T1421 M1424 I1431 V1436V1382-L1385 HydrophobicContact CG1-CB 3.57Å; V1382-L1385 HydrophobicContact CG1-CD2 3.79Å; V1382-L1385 HydrophobicContact CG1-CG 4.22Å; K1383-L1385 PolarHBondContact O-N 3.36Å; K1383-L1385 VanDerWaalsContact O-N 3.13Å; L1385-V1395 WeakPolarHBondContact O-CG1 3.5Å; L1385-N1397 PolarHBondContact O-N 3.43Å; L1385-V1398 HydrophobicContact CB-CB 4.36Å; L1385-V1398 WeakPolarHBondContact CB-O 3.44Å; L1385-V1398 PolarHBondContact N-O 3.15Å; L1385-V1398 PolarHBondContact O-N 2.81Å; L1385-T1421 HydrophobicContact CD2-CG2 3.94Å; L1385-M1424 HydrophobicContact CD1-CE 4.31Å; L1385-M1424 HydrophobicContact CD1-SD 3.98Å; L1385-M1424 HydrophobicContact CD2-CB 4.31Å; L1385-M1424 HydrophobicContact CD2-CE 3.51Å; L1385-M1424 HydrophobicContact CD2-SD 4.21Å; L1385-M1424 HydrophobicContact CG-CE 3.61Å; L1385-M1424 HydrophobicContact CG-SD 3.93Å; L1385-I1431 HydrophobicContact CD1-CB 4.38Å; L1385-I1431 HydrophobicContact CD1-CD1 3.96Å; L1385-I1431 HydrophobicContact CD1-CG1 3.91Å; L1385-I1431 HydrophobicContact CD1-CG2 3.62Å; L1385-V1436 HydrophobicContact CD1-CG2 3.73Å; L1385-V1436 HydrophobicContact CD2-CG2 4.43Å
1386C87.8Confident80.5Confident20 Ų2054 Ų5414%0.13529%0.285CS..EExtended strand (participates in β ladder)trans-129.7138.8-178.7-69.80000112.1E1384 V1395 N1397 S1432 G1433E1384-C1386 PolarHBondContact O-N 2.79Å; E1384-C1386 PolarHBondContact O-SG 2.71Å; C1386-V1395 WeakPolarHBondContact CA-O 3.47Å; C1386-N1397 PolarHBondContact SG-N 2.92Å; C1386-N1397 PolarHBondContact SG-OD1 3Å; C1386-S1432 WeakPolarHBondContact O-CA 3.37Å; C1386-S1432 WeakPolarHBondContact O-CB 2.9Å; C1386-S1432 PolarHBondContact O-N 3.3Å; C1386-G1433 PolarHBondContact N-O 2.79Å; C1386-G1433 PolarHBondContact O-N 3.42Å
1387K85.8Confident81.8Confident16 Ų1650.8 Ų50.87%0.0727%0.268CS..EExtended strand (participates in β ladder)trans-131.3127.5168.9-172.670.1-164.3-169.30111.8Y1389 M1393 A1394 V1395 T1420 M1424 S1429 R1430K1387-Y1389 HydrophobicContact CD-CE2 4.48Å; K1387-Y1389 VanDerWaalsContact CE-CE1 3.45Å; K1387-Y1389 HydrophobicContact CG-CD2 4.13Å; K1387-Y1389 HydrophobicContact CG-CE2 3.66Å; K1387-M1393 CarbonylContact O-C 3.52Å; K1387-A1394 PolarHBondContact O-N 3.23Å; K1387-V1395 HydrophobicContact CB-CB 4.09Å; K1387-V1395 HydrophobicContact CB-CG2 4.11Å; K1387-V1395 PolarHBondContact N-O 2.81Å; K1387-V1395 PolarHBondContact O-N 3.24Å; K1387-T1420 HydrophobicContact CB-CG2 3.79Å; K1387-T1420 HydrophobicContact CG-CG2 3.6Å; K1387-M1424 HydrophobicContact CB-CE 3.72Å; K1387-M1424 HydrophobicContact CB-SD 3.7Å; K1387-M1424 HydrophobicContact CD-CG 4.36Å; K1387-M1424 HydrophobicContact CD-SD 4.05Å; K1387-M1424 HydrophobicContact CG-SD 4.33Å; K1387-S1429 WeakPolarHBondContact CE-OG 3.43Å; K1387-S1429 PolarHBondContact NZ-OG 3.2Å; K1387-R1430 VanDerWaalsContact CD-O 3.31Å; K1387-R1430 WeakPolarHBondContact CD-O 3.44Å; K1387-R1430 PolarHBondContact NZ-O 2.81Å
1388R78.9Confident82.7Confident97 Ų9747.7 Ų47.737%0.36624%0.242SC..EExtended strand (participates in β ladder)trans-116.2130.5172.5-170.2179.8-67.8160.5-0.9110.9G1390 F1392 S1432R1388-G1390 WeakPolarHBondContact CD-O 3.37Å; R1388-G1390 VanDerWaalsContact CG-O 3.28Å; R1388-G1390 WeakPolarHBondContact CG-O 3.29Å; R1388-F1392 WeakPolarHBondContact CA-O 3.36Å; R1388-S1432 PolarHBondContact N-OG 2.73Å
1389Y75.3Confident83.1Confident100 Ų10046.5 Ų46.539%0.39224%0.235SC..EExtended strand (participates in β ladder)trans-114.7101169.4-68.2-71.3000108.5K1387 N1391 F1392 A1394 T1420 Q1423 S1429K1387-Y1389 HydrophobicContact CD-CE2 4.48Å; K1387-Y1389 VanDerWaalsContact CE-CE1 3.45Å; K1387-Y1389 HydrophobicContact CG-CD2 4.13Å; K1387-Y1389 HydrophobicContact CG-CE2 3.66Å; Y1389-N1391 PolarHBondContact O-N 3.08Å; Y1389-N1391 VanDerWaalsContact O-N 3.08Å; Y1389-F1392 PolarHBondContact N-O 3.09Å; Y1389-F1392 PolarHBondContact O-N 2.77Å; Y1389-A1394 HydrophobicContact CD2-CB 3.88Å; Y1389-A1394 HydrophobicContact CE2-CB 4.05Å; Y1389-T1420 HydrophobicContact CE2-CG2 3.78Å; Y1389-Q1423 PolarHBondContact OH-OE1 2.81Å; Y1389-S1429 PolarHBondContact OH-OG 2.97Å
1390G72.7Confident83.4Confident60 Ų6045.3 Ų45.362%0.61923%0.23SC*.THydrogen-bonded Turntrans57.7-114.3-173.500000111.4R1388R1388-G1390 WeakPolarHBondContact CD-O 3.37Å; R1388-G1390 VanDerWaalsContact CG-O 3.28Å; R1388-G1390 WeakPolarHBondContact CG-O 3.29Å
1391N71.5Confident83.3Confident166 Ų16647 Ų4789%0.88824%0.237SC*.THydrogen-bonded Turntrans-91.1-11.1177.6-65.6-10.3000113.8Y1389Y1389-N1391 PolarHBondContact O-N 3.08Å; Y1389-N1391 VanDerWaalsContact O-N 3.08Å
1392F75.5Confident83.4Confident134 Ų13446.8 Ų46.859%0.58824%0.236SC*.EExtended strand (participates in β ladder)trans-93.9125.3-176.7179.5-109.2000111.4R1388 Y1389 A1394R1388-F1392 WeakPolarHBondContact CA-O 3.36Å; Y1389-F1392 PolarHBondContact N-O 3.09Å; Y1389-F1392 PolarHBondContact O-N 2.77Å; F1392-A1394 HydrophobicContact CD1-CB 4.03Å; F1392-A1394 HydrophobicContact CE1-CB 3.7Å
1393M80.9Confident83.2Confident58 Ų5848.7 Ų48.729%0.28625%0.251SS..EExtended strand (participates in β ladder)trans-94103.6174.4-162.3178-58.600109.2K1387 K1396K1387-M1393 CarbonylContact O-C 3.52Å; M1393-K1396 HydrophobicContact CB-CG 4.36Å; M1393-K1396 HydrophobicContact CG-CG 3.81Å; M1393-K1396 HydrophobicContact SD-CB 4.09Å; M1393-K1396 HydrophobicContact SD-CD 4.39Å; M1393-K1396 HydrophobicContact SD-CG 3.65Å
1394A82.3Confident83Confident6 Ų653.5 Ų53.55%0.0527%0.272CS..EExtended strand (participates in β ladder)trans-82.9-28.2-173.700000113.3K1387 Y1389 F1392 T1420 G1605K1387-A1394 PolarHBondContact O-N 3.23Å; Y1389-A1394 HydrophobicContact CD2-CB 3.88Å; Y1389-A1394 HydrophobicContact CE2-CB 4.05Å; F1392-A1394 HydrophobicContact CD1-CB 4.03Å; F1392-A1394 HydrophobicContact CE1-CB 3.7Å; A1394-T1420 HydrophobicContact CB-CG2 4.09Å; A1394-G1605 WeakPolarHBondContact O-CA 3.26Å
1395V87.2Confident82.9Confident0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-137.3129.8176.7-1740000107.1L1385 C1386 K1387 V1398 T1420 M1424L1385-V1395 WeakPolarHBondContact O-CG1 3.5Å; C1386-V1395 WeakPolarHBondContact CA-O 3.47Å; K1387-V1395 HydrophobicContact CB-CB 4.09Å; K1387-V1395 HydrophobicContact CB-CG2 4.11Å; K1387-V1395 PolarHBondContact N-O 2.81Å; K1387-V1395 PolarHBondContact O-N 3.24Å; V1395-V1398 HydrophobicContact CG1-CB 3.9Å; V1395-V1398 HydrophobicContact CG1-CG2 3.42Å; V1395-V1398 VanDerWaalsContact CG1-CG2 3.42Å; V1395-T1420 HydrophobicContact CG2-CG2 3.75Å; V1395-M1424 HydrophobicContact CB-CE 3.91Å; V1395-M1424 HydrophobicContact CG1-CE 4.09Å; V1395-M1424 HydrophobicContact CG2-CE 3.68Å
1396K87.7Confident82.7Confident69 Ų6951.3 Ų51.330%0.327%0.267SS..EExtended strand (participates in β ladder)trans-126107.8-172.8-45.9177.1178.3167.80109.3M1393 V1398 H1604 G1605 E1606M1393-K1396 HydrophobicContact CB-CG 4.36Å; M1393-K1396 HydrophobicContact CG-CG 3.81Å; M1393-K1396 HydrophobicContact SD-CB 4.09Å; M1393-K1396 HydrophobicContact SD-CD 4.39Å; M1393-K1396 HydrophobicContact SD-CG 3.65Å; K1396-V1398 VanDerWaalsContact C-N 3.29Å; K1396-V1398 PolarHBondContact O-N 2.84Å; K1396-V1398 VanDerWaalsContact O-N 3.14Å; K1396-H1604 WeakPolarHBondContact CE-O 3.37Å; K1396-G1605 PolarHBondContact N-O 3.2Å; K1396-E1606 HydrophobicContact CB-CG 3.71Å; K1396-E1606 HydrophobicContact CD-CG 3.93Å; K1396-E1606 WeakPolarHBondContact CD-OE1 3.41Å; K1396-E1606 HydrophobicContact CG-CG 4.32Å; K1396-E1606 IonicContact NZ-OE1 3.27Å
1397N84.9Confident82.7Confident73 Ų7350.5 Ų50.539%0.3926%0.262SS..EExtended strand (participates in β ladder)trans44.747174.6-66.5-19.2000114.8L1385 C1386 S1399L1385-N1397 PolarHBondContact O-N 3.43Å; C1386-N1397 PolarHBondContact SG-N 2.92Å; C1386-N1397 PolarHBondContact SG-OD1 3Å; N1397-S1399 PolarHBondContact O-N 2.95Å
1398V86.8Confident82.9Confident0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-75.6125.3178.9168.70000110E1384 L1385 V1395 K1396 F1400 L1602 G1605 V1607E1384-V1398 PolarHBondContact N-O 3Å; L1385-V1398 HydrophobicContact CB-CB 4.36Å; L1385-V1398 WeakPolarHBondContact CB-O 3.44Å; L1385-V1398 PolarHBondContact N-O 3.15Å; L1385-V1398 PolarHBondContact O-N 2.81Å; V1395-V1398 HydrophobicContact CG1-CB 3.9Å; V1395-V1398 HydrophobicContact CG1-CG2 3.42Å; V1395-V1398 VanDerWaalsContact CG1-CG2 3.42Å; K1396-V1398 VanDerWaalsContact C-N 3.29Å; K1396-V1398 PolarHBondContact O-N 2.84Å; K1396-V1398 VanDerWaalsContact O-N 3.14Å; V1398-F1400 HydrophobicContact CG1-CD1 3.74Å; V1398-F1400 HydrophobicContact CG1-CE1 3.81Å; V1398-L1602 HydrophobicContact CG2-CD1 3.74Å; V1398-G1605 WeakPolarHBondContact CG2-O 3.4Å; V1398-V1607 HydrophobicContact CB-CG2 4.42Å; V1398-V1607 HydrophobicContact CG1-CG2 3.8Å; V1398-V1607 HydrophobicContact CG2-CG2 4.22Å
1399S85.9Confident83.5Confident9 Ų945.1 Ų45.16%0.06324%0.241CC..EExtended strand (participates in β ladder)trans-129.9129.1176.9-630000111.1V1382 E1384 N1397V1382-S1399 WeakPolarHBondContact O-CA 3.36Å; E1384-S1399 PolarHBondContact N-OG 3.42Å; N1397-S1399 PolarHBondContact O-N 2.95Å
1400F89.6Confident84.2Confident0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-164160.5172.864.3-89.3000111.1V1382 V1398 V1402 F1408 T1421 L1583V1382-F1400 HydrophobicContact CB-CD1 4.05Å; V1382-F1400 HydrophobicContact CB-CE1 3.92Å; V1382-F1400 HydrophobicContact CB-CG 4.43Å; V1382-F1400 HydrophobicContact CB-CZ 4.19Å; V1382-F1400 HydrophobicContact CG1-CD1 4.36Å; V1382-F1400 HydrophobicContact CG1-CE1 4.05Å; V1382-F1400 HydrophobicContact CG2-CD1 4.33Å; V1382-F1400 HydrophobicContact CG2-CD2 4.42Å; V1382-F1400 HydrophobicContact CG2-CE1 3.81Å; V1382-F1400 HydrophobicContact CG2-CE2 3.9Å; V1382-F1400 HydrophobicContact CG2-CZ 3.57Å; V1382-F1400 PolarHBondContact N-O 3.28Å; V1382-F1400 PolarHBondContact O-N 2.76Å; V1382-F1400 VanDerWaalsContact O-N 3.09Å; V1398-F1400 HydrophobicContact CG1-CD1 3.74Å; V1398-F1400 HydrophobicContact CG1-CE1 3.81Å; F1400-V1402 HydrophobicContact CD2-CG2 4.13Å; F1400-V1402 HydrophobicContact CE2-CG2 4.05Å; F1400-F1408 HydrophobicContact CB-CE1 4.36Å; F1400-F1408 HydrophobicContact CB-CZ 3.99Å; F1400-F1408 HydrophobicContact CD2-CD1 4.13Å; F1400-F1408 AromaticContact CD2-CE1 3.61Å; F1400-F1408 HydrophobicContact CD2-CE1 3.61Å; F1400-F1408 AromaticContact CD2-CZ 3.99Å; F1400-F1408 HydrophobicContact CD2-CZ 3.99Å; F1400-F1408 HydrophobicContact CE2-CD1 4.27Å; F1400-F1408 HydrophobicContact CE2-CE1 4.05Å; F1400-F1408 HydrophobicContact CG-CE1 4.03Å; F1400-F1408 HydrophobicContact CG-CZ 4.17Å; F1400-T1421 HydrophobicContact CE1-CG2 4.48Å; F1400-L1583 HydrophobicContact CE2-CD1 3.93Å; F1400-L1583 HydrophobicContact CE2-CD2 3.98Å; F1400-L1583 HydrophobicContact CZ-CD1 4.33Å; F1400-L1583 HydrophobicContact CZ-CD2 4.03Å
1401Q85.8Confident84.9Confident35 Ų3537.6 Ų37.616%0.16419%0.193CC..EExtended strand (participates in β ladder)trans-124.1151.5172.754.3168.114.500112.5E1362 V1365 V1366 V1378 I1380E1362-Q1401 WeakPolarHBondContact OE1-CG 3.28Å; E1362-Q1401 PolarHBondContact OE1-N 2.84Å; E1362-Q1401 VanDerWaalsContact OE1-N 3.09Å; V1365-Q1401 VanDerWaalsContact CG1-NE2 3.32Å; V1366-Q1401 HydrophobicContact CG2-CB 4.16Å; V1366-Q1401 HydrophobicContact CG2-CG 4.29Å; V1378-Q1401 HydrophobicContact CG1-CB 4Å; V1378-Q1401 VanDerWaalsContact CG2-OE1 3.29Å; I1380-Q1401 CarbonylContact O-C 3.36Å; I1380-Q1401 VanDerWaalsContact O-CA 3.27Å; I1380-Q1401 WeakPolarHBondContact O-CA 3.22Å
1402V88Confident85.4Confident0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-123.8123.3174.1-173.50000108.7M1379 I1380 F1400 E1406 F1408 L1583M1379-V1402 PolarHBondContact N-O 2.93Å; I1380-V1402 HydrophobicContact CB-CB 3.95Å; I1380-V1402 HydrophobicContact CB-CG2 4.12Å; I1380-V1402 HydrophobicContact CD1-CB 4.14Å; I1380-V1402 HydrophobicContact CD1-CG2 4.14Å; I1380-V1402 HydrophobicContact CG1-CB 4.19Å; I1380-V1402 PolarHBondContact N-O 3.21Å; I1380-V1402 VanDerWaalsContact N-O 3.09Å; I1380-V1402 PolarHBondContact O-N 3.12Å; F1400-V1402 HydrophobicContact CD2-CG2 4.13Å; F1400-V1402 HydrophobicContact CE2-CG2 4.05Å; V1402-E1406 HydrophobicContact CG1-CB 4.15Å; V1402-F1408 HydrophobicContact CB-CB 4.41Å; V1402-F1408 HydrophobicContact CG1-CB 3.95Å; V1402-F1408 HydrophobicContact CG2-CB 3.72Å; V1402-F1408 HydrophobicContact CG2-CD1 4.21Å; V1402-F1408 HydrophobicContact CG2-CG 3.93Å; V1402-L1583 HydrophobicContact CG2-CD1 4.3Å
1403A83.8Confident85.5Confident39 Ų3924.3 Ų24.332%0.32213%0.128SC..EExtended strand (participates in β ladder)trans-75.4163.4178.500000112.4A1377 G1405 E1406 S1581A1377-A1403 CarbonylContact O-C 3.48Å; A1377-A1403 WeakPolarHBondContact O-CA 3.09Å; A1403-G1405 PolarHBondContact O-N 3.24Å; A1403-E1406 HydrophobicContact CB-CB 4.05Å; A1403-E1406 WeakPolarHBondContact CB-OE2 3.22Å; A1403-E1406 PolarHBondContact N-OE2 3.28Å; A1403-E1406 WeakPolarHBondContact O-CB 3.1Å; A1403-E1406 PolarHBondContact O-N 2.89Å; A1403-S1581 PolarHBondContact O-OG 3.02Å
1404K81.4Confident85.2Confident150 Ų15024.8 Ų24.865%0.65213%0.132SC*.THydrogen-bonded Turntrans-63124.9176-167.7177.5178.7-177.70110.8A1377 E1406 S1581A1377-K1404 PolarHBondContact O-N 3.4Å; K1404-E1406 PolarHBondContact O-N 3.25Å; K1404-S1581 VanDerWaalsContact CA-OG 3.24Å; K1404-S1581 WeakPolarHBondContact CA-OG 3.46Å
1405G81.5Confident84.7Confident21 Ų2127.9 Ų27.922%0.21617%0.165CC..THydrogen-bonded Turntrans72.96-177.300000115.3A1403 R1576 S1581A1403-G1405 PolarHBondContact O-N 3.24Å; G1405-R1576 WeakPolarHBondContact O-CG 3.14Å; G1405-S1581 PolarHBondContact N-OG 3.22Å
1406E83.2Confident84.5Confident25 Ų2527.9 Ų27.912%0.11717%0.165CC..  trans-79.7145.1173.8-174-177.9-171.700110.8V1402 A1403 K1404 I1582 A1597 R1598V1402-E1406 HydrophobicContact CG1-CB 4.15Å; A1403-E1406 HydrophobicContact CB-CB 4.05Å; A1403-E1406 WeakPolarHBondContact CB-OE2 3.22Å; A1403-E1406 PolarHBondContact N-OE2 3.28Å; A1403-E1406 WeakPolarHBondContact O-CB 3.1Å; A1403-E1406 PolarHBondContact O-N 2.89Å; K1404-E1406 PolarHBondContact O-N 3.25Å; E1406-I1582 PolarHBondContact O-N 2.87Å; E1406-A1597 HydrophobicContact CG-CB 4.45Å; E1406-R1598 WeakPolarHBondContact OE1-CD 3.34Å; E1406-R1598 IonicContact OE1-CZ 3.05Å; E1406-R1598 IonicContact OE1-NE 2.68Å; E1406-R1598 IonicContact OE1-NH1 3.95Å; E1406-R1598 PolarHBondContact OE1-NH1 2.9Å; E1406-R1598 IonicContact OE2-NH1 3.39Å
1407C87.9Confident84.3Confident3 Ų324.8 Ų24.82%0.0215%0.153CC..EExtended strand (participates in β ladder)trans-104.2110.5164.2-175.10000109I1582 L1584 L1595 C1596 A1597C1407-I1582 CarbonylContact C-O 3.58Å; C1407-I1582 VanDerWaalsContact CA-O 3.32Å; C1407-I1582 WeakPolarHBondContact CA-O 3.26Å; C1407-I1582 HydrophobicContact CB-CB 4.17Å; C1407-L1584 VanDerWaalsContact SG-CD2 3.59Å; C1407-L1595 VanDerWaalsContact CB-O 3.32Å; C1407-L1595 WeakPolarHBondContact CB-O 3.44Å; C1407-L1595 PolarHBondContact SG-O 2.84Å; C1407-C1596 WeakPolarHBondContact O-CA 3.35Å; C1407-A1597 PolarHBondContact O-N 3.43Å
1408F90.9Very high84.4Confident0 Ų021.7 Ų21.70%014%0.136CC..EExtended strand (participates in β ladder)trans-109.1130.1-178.2-171.6-89.1000110.5F1400 V1402 I1582 L1583 L1584 R1598 A1600 I1610F1400-F1408 HydrophobicContact CB-CE1 4.36Å; F1400-F1408 HydrophobicContact CB-CZ 3.99Å; F1400-F1408 HydrophobicContact CD2-CD1 4.13Å; F1400-F1408 AromaticContact CD2-CE1 3.61Å; F1400-F1408 HydrophobicContact CD2-CE1 3.61Å; F1400-F1408 AromaticContact CD2-CZ 3.99Å; F1400-F1408 HydrophobicContact CD2-CZ 3.99Å; F1400-F1408 HydrophobicContact CE2-CD1 4.27Å; F1400-F1408 HydrophobicContact CE2-CE1 4.05Å; F1400-F1408 HydrophobicContact CG-CE1 4.03Å; F1400-F1408 HydrophobicContact CG-CZ 4.17Å; V1402-F1408 HydrophobicContact CB-CB 4.41Å; V1402-F1408 HydrophobicContact CG1-CB 3.95Å; V1402-F1408 HydrophobicContact CG2-CB 3.72Å; V1402-F1408 HydrophobicContact CG2-CD1 4.21Å; V1402-F1408 HydrophobicContact CG2-CG 3.93Å; F1408-I1582 PolarHBondContact N-O 2.95Å; F1408-L1583 HydrophobicContact CB-CD1 4.23Å; F1408-L1583 HydrophobicContact CD1-CD1 3.53Å; F1408-L1583 HydrophobicContact CE1-CD1 4.39Å; F1408-L1583 HydrophobicContact CG-CD1 4.33Å; F1408-L1583 WeakPolarHBondContact O-CA 3.33Å; F1408-L1584 PolarHBondContact O-N 3.12Å; F1408-R1598 HydrophobicContact CD2-CB 3.9Å; F1408-R1598 HydrophobicContact CE2-CB 4.09Å; F1408-A1600 HydrophobicContact CE1-CB 3.76Å; F1408-A1600 HydrophobicContact CZ-CB 3.63Å; F1408-I1610 HydrophobicContact CE2-CG2 4.41Å
1409G90.8Very high84.2Confident0 Ų023.4 Ų23.40%015%0.147CC..EExtended strand (participates in β ladder)trans-104127.7-179.800000112.8L1584 C1596 R1598 L1599 A1600G1409-L1584 CarbonylContact C-O 3.55Å; G1409-L1584 WeakPolarHBondContact CA-O 3.4Å; G1409-C1596 VanDerWaalsContact CA-SG 3.54Å; G1409-R1598 PolarHBondContact N-O 3.03Å; G1409-L1599 CarbonylContact O-C 3.57Å; G1409-L1599 VanDerWaalsContact O-CA 3.3Å; G1409-L1599 WeakPolarHBondContact O-CA 3.15Å; G1409-A1600 PolarHBondContact O-N 3.32Å
1410L90.3Very high84.2Confident0 Ų024.1 Ų24.10%015%0.152CC..EExtended strand (participates in β ladder)trans-97.5101.3168.3-171.969000109.2K1418 T1421 L1584 T1585 A1600 L1602L1410-K1418 HydrophobicContact CD2-CB 4.32Å; L1410-K1418 WeakPolarHBondContact O-CD 3.33Å; L1410-T1421 HydrophobicContact CD2-CG2 4.21Å; L1410-L1584 PolarHBondContact N-O 2.91Å; L1410-T1585 HydrophobicContact CB-CG2 4.46Å; L1410-T1585 WeakPolarHBondContact O-CA 3.42Å; L1410-A1600 HydrophobicContact CD1-CB 4.04Å; L1410-L1602 HydrophobicContact CD1-CB 4.22Å; L1410-L1602 HydrophobicContact CD2-CD2 4.46Å
1411L87.4Confident84.1Confident1 Ų124.1 Ų24.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-94.2152-177.6-162.765.2000110.7S1586 M1589 A1600 V1601 L1602 F1701L1411-S1586 WeakPolarHBondContact CD1-O 3.35Å; L1411-M1589 HydrophobicContact CD1-CE 3.13Å; L1411-M1589 HydrophobicContact CD1-SD 3.71Å; L1411-M1589 HydrophobicContact CD2-CE 3.79Å; L1411-M1589 HydrophobicContact CD2-SD 3.43Å; L1411-M1589 WeakPolarHBondContact CD2-SD 3.41Å; L1411-M1589 HydrophobicContact CG-CE 3.69Å; L1411-M1589 HydrophobicContact CG-SD 4.03Å; L1411-A1600 PolarHBondContact N-O 2.91Å; L1411-V1601 HydrophobicContact CB-CG2 4.48Å; L1411-V1601 HydrophobicContact CD2-CG2 4.21Å; L1411-L1602 WeakPolarHBondContact O-CB 3.18Å; L1411-L1602 PolarHBondContact O-N 3.48Å; L1411-F1701 HydrophobicContact CD2-CD2 3.42Å; L1411-F1701 VanDerWaalsContact CD2-CD2 3.42Å; L1411-F1701 HydrophobicContact CD2-CE2 3.9Å; L1411-F1701 HydrophobicContact CD2-CG 4.22Å; L1411-F1701 HydrophobicContact CG-CD2 3.88Å; L1411-F1701 HydrophobicContact CG-CE2 3.81Å
1412G82.2Confident84.3Confident1 Ų122.5 Ų22.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans165.7164.7176.600000112.4K1418 L1602G1412-K1418 PolarHBondContact O-NZ 2.92Å; G1412-L1602 WeakPolarHBondContact CA-O 3.48Å
1413I77.9Confident84.1Confident20 Ų2026 Ų2610%0.10316%0.16CC..  trans-68.7167.5174.256.8173.2000111.6G1415 A1416 K1418 F1701I1413-G1415 PolarHBondContact O-N 3.32Å; I1413-A1416 HydrophobicContact CG1-CB 4.12Å; I1413-A1416 VanDerWaalsContact O-CB 3.26Å; I1413-A1416 WeakPolarHBondContact O-CB 3.41Å; I1413-A1416 PolarHBondContact O-N 3.43Å; I1413-K1418 PolarHBondContact O-NZ 3.25Å; I1413-F1701 HydrophobicContact CG2-CE1 4.02Å; I1413-F1701 HydrophobicContact CG2-CZ 3.95Å
1414N74.6Confident84.2Confident68 Ų6824.2 Ų24.236%0.36415%0.145SC..THydrogen-bonded Turntrans-65.7131.7173.6-76.3-25.8000109.8D704D704-N1414 HydrophobicContact CB-CB 4.1Å
1415G71.8Confident84.5Confident71 Ų7117.1 Ų17.173%0.73212%0.115SC*.THydrogen-bonded Turntrans85.9-0.7-174.700000115.3I1413 G1417I1413-G1415 PolarHBondContact O-N 3.32Å; G1415-G1417 PolarHBondContact O-N 3.43Å; G1415-G1417 VanDerWaalsContact O-N 3.13Å
1416A81.5Confident84.6Confident1 Ų116.1 Ų16.11%0.00810%0.104CC..SBendtrans-64-14.9175.400000114.3I1413 L1602 G1605I1413-A1416 HydrophobicContact CG1-CB 4.12Å; I1413-A1416 VanDerWaalsContact O-CB 3.26Å; I1413-A1416 WeakPolarHBondContact O-CB 3.41Å; I1413-A1416 PolarHBondContact O-N 3.43Å; A1416-L1602 HydrophobicContact CB-CB 4.33Å; A1416-L1602 HydrophobicContact CB-CD2 4.11Å; A1416-L1602 HydrophobicContact CB-CG 4.18Å; A1416-L1602 VanDerWaalsContact CB-O 3.27Å; A1416-L1602 WeakPolarHBondContact CB-O 3.28Å; A1416-L1602 WeakPolarHBondContact O-CD2 3.37Å; A1416-L1602 WeakPolarHBondContact O-CG 3.5Å; A1416-G1605 WeakPolarHBondContact O-CA 3.37Å; A1416-G1605 PolarHBondContact O-N 3.25Å
1417G84.2Confident84Confident4 Ų416.7 Ų16.74%0.04112%0.117CC..SBendtrans108.36.9-177.800000115.2G1415 T1420 T1421 L1602G1415-G1417 PolarHBondContact O-N 3.43Å; G1415-G1417 VanDerWaalsContact O-N 3.13Å; G1417-T1420 PolarHBondContact O-N 2.74Å; G1417-T1421 WeakPolarHBondContact O-CB 3.38Å; G1417-T1421 PolarHBondContact O-N 3.22Å; G1417-T1421 PolarHBondContact O-OG1 3.03Å; G1417-L1602 VanDerWaalsContact C-CD2 3.47Å
1418K87.2Confident83.3Confident8 Ų818.9 Ų18.94%0.03513%0.132CC..Hα-helixtrans-57.6-62.1-178.2-51.7-169.5-57.9-93.60113.1L1410 G1412 I1413 T1420 T1421 F1422 E1555 T1585 L1602L1410-K1418 HydrophobicContact CD2-CB 4.32Å; L1410-K1418 WeakPolarHBondContact O-CD 3.33Å; G1412-K1418 PolarHBondContact O-NZ 2.92Å; I1413-K1418 PolarHBondContact O-NZ 3.25Å; K1418-T1420 VanDerWaalsContact C-N 3.26Å; K1418-T1420 PolarHBondContact O-N 2.8Å; K1418-T1421 WeakPolarHBondContact O-CA 3.46Å; K1418-T1421 VanDerWaalsContact O-CB 3.28Å; K1418-T1421 WeakPolarHBondContact O-CB 3.41Å; K1418-T1421 PolarHBondContact O-N 2.8Å; K1418-F1422 PolarHBondContact O-N 3.1Å; K1418-E1555 VanDerWaalsContact CE-OE1 3.28Å; K1418-E1555 WeakPolarHBondContact CE-OE1 3.13Å; K1418-E1555 IonicContact NZ-OE1 2.96Å; K1418-T1585 HydrophobicContact CB-CG2 3.99Å; K1418-L1602 HydrophobicContact CG-CD2 4.05Å
1419S83.4Confident82.5Confident35 Ų3519.4 Ų19.425%0.24514%0.135CC..Hα-helixtrans-64.6-31.4178.8-47.40000112T1421 F1422 Q1423 D1554S1419-T1421 VanDerWaalsContact C-N 3.33Å; S1419-T1421 PolarHBondContact O-N 3.17Å; S1419-F1422 PolarHBondContact O-N 2.82Å; S1419-Q1423 WeakPolarHBondContact O-CB 3.38Å; S1419-Q1423 VanDerWaalsContact O-CG 3.24Å; S1419-Q1423 WeakPolarHBondContact O-CG 3.39Å; S1419-Q1423 PolarHBondContact O-N 3.44Å; S1419-D1554 PolarHBondContact OG-OD1 3.37Å; S1419-D1554 PolarHBondContact OG-OD2 3.01Å
1420T85.4Confident81.8Confident25 Ų2527.2 Ų27.215%0.15317%0.165CC..Hα-helixtrans-63.8-39.3173-54.30000111.7K1387 Y1389 A1394 V1395 G1417 K1418 Q1423 M1424K1387-T1420 HydrophobicContact CB-CG2 3.79Å; K1387-T1420 HydrophobicContact CG-CG2 3.6Å; Y1389-T1420 HydrophobicContact CE2-CG2 3.78Å; A1394-T1420 HydrophobicContact CB-CG2 4.09Å; V1395-T1420 HydrophobicContact CG2-CG2 3.75Å; G1417-T1420 PolarHBondContact O-N 2.74Å; K1418-T1420 VanDerWaalsContact C-N 3.26Å; K1418-T1420 PolarHBondContact O-N 2.8Å; T1420-Q1423 PolarHBondContact O-N 2.9Å; T1420-M1424 HydrophobicContact CG2-CE 4.4Å; T1420-M1424 PolarHBondContact O-N 3.29Å; T1420-M1424 VanDerWaalsContact O-N 3.11Å
1421T88.1Confident81.4Confident0 Ų028.2 Ų28.20%017%0.17CC..Hα-helixtrans-63-48.3173.9-58.90000109.8L1385 F1400 L1410 G1417 K1418 S1419 Q1423 M1424 L1425L1385-T1421 HydrophobicContact CD2-CG2 3.94Å; F1400-T1421 HydrophobicContact CE1-CG2 4.48Å; L1410-T1421 HydrophobicContact CD2-CG2 4.21Å; G1417-T1421 WeakPolarHBondContact O-CB 3.38Å; G1417-T1421 PolarHBondContact O-N 3.22Å; G1417-T1421 PolarHBondContact O-OG1 3.03Å; K1418-T1421 WeakPolarHBondContact O-CA 3.46Å; K1418-T1421 VanDerWaalsContact O-CB 3.28Å; K1418-T1421 WeakPolarHBondContact O-CB 3.41Å; K1418-T1421 PolarHBondContact O-N 2.8Å; S1419-T1421 VanDerWaalsContact C-N 3.33Å; S1419-T1421 PolarHBondContact O-N 3.17Å; T1421-Q1423 VanDerWaalsContact C-N 3.34Å; T1421-Q1423 PolarHBondContact O-N 3.35Å; T1421-M1424 WeakPolarHBondContact O-CB 3.37Å; T1421-M1424 PolarHBondContact O-N 3.1Å; T1421-L1425 HydrophobicContact CG2-CD1 4.27Å; T1421-L1425 HydrophobicContact CG2-CG 4.5Å; T1421-L1425 WeakPolarHBondContact O-CG 3.43Å; T1421-L1425 PolarHBondContact O-N 3.18Å
1422F88.3Confident81.2Confident0 Ų031.4 Ų31.40%019%0.192CC..Hα-helixtrans-60.9-40176.3-90.5-124.8000113.2K1418 S1419 M1424 L1425 C1426 Y1456 L1552 L1553 D1554 L1583 T1585K1418-F1422 PolarHBondContact O-N 3.1Å; S1419-F1422 PolarHBondContact O-N 2.82Å; F1422-M1424 VanDerWaalsContact C-N 3.26Å; F1422-M1424 PolarHBondContact O-N 3.23Å; F1422-L1425 HydrophobicContact CD2-CD1 4.35Å; F1422-L1425 PolarHBondContact O-N 3.24Å; F1422-C1426 WeakPolarHBondContact O-CB 3.22Å; F1422-C1426 PolarHBondContact O-N 3.17Å; F1422-C1426 PolarHBondContact O-SG 2.79Å; F1422-Y1456 HydrophobicContact CD1-CE2 4.09Å; F1422-L1552 HydrophobicContact CD1-CB 4.19Å; F1422-L1552 HydrophobicContact CE1-CB 3.87Å; F1422-L1553 WeakPolarHBondContact CE1-O 3.3Å; F1422-D1554 HydrophobicContact CD1-CB 3.96Å; F1422-D1554 HydrophobicContact CE1-CB 4.36Å; F1422-L1583 HydrophobicContact CE2-CD2 4.09Å; F1422-L1583 HydrophobicContact CE2-CG 3.92Å; F1422-L1583 HydrophobicContact CZ-CD2 4.29Å; F1422-L1583 HydrophobicContact CZ-CG 3.78Å; F1422-L1583 WeakPolarHBondContact CZ-O 3.45Å; F1422-T1585 HydrophobicContact CD1-CG2 4.22Å; F1422-T1585 HydrophobicContact CD2-CG2 3.35Å; F1422-T1585 HydrophobicContact CE1-CG2 3.98Å; F1422-T1585 HydrophobicContact CE2-CG2 3.11Å; F1422-T1585 HydrophobicContact CG-CG2 3.92Å; F1422-T1585 HydrophobicContact CZ-CG2 3.44Å; F1422-T1585 VanDerWaalsContact CZ-CG2 3.44Å
1423Q83.6Confident81.1Confident74 Ų7432.6 Ų32.635%0.34621%0.205SC..Hα-helixtrans-62.9-32.6174.4-74.1171.7-2.300112.4Y1389 S1419 T1420 T1421 G1427 C1428 S1429Y1389-Q1423 PolarHBondContact OH-OE1 2.81Å; S1419-Q1423 WeakPolarHBondContact O-CB 3.38Å; S1419-Q1423 VanDerWaalsContact O-CG 3.24Å; S1419-Q1423 WeakPolarHBondContact O-CG 3.39Å; S1419-Q1423 PolarHBondContact O-N 3.44Å; T1420-Q1423 PolarHBondContact O-N 2.9Å; T1421-Q1423 VanDerWaalsContact C-N 3.34Å; T1421-Q1423 PolarHBondContact O-N 3.35Å; Q1423-G1427 CarbonylContact O-C 3.43Å; Q1423-G1427 PolarHBondContact O-N 3.24Å; Q1423-C1428 HydrophobicContact CB-CB 4.24Å; Q1423-C1428 HydrophobicContact CG-CB 4.44Å; Q1423-C1428 WeakPolarHBondContact O-CA 3.42Å; Q1423-C1428 PolarHBondContact O-N 3.09Å; Q1423-C1428 PolarHBondContact O-SG 3.25Å; Q1423-S1429 PolarHBondContact O-N 2.89Å
1424M87.6Confident81.4Confident1 Ų133.1 Ų33.11%0.00522%0.215CC..Hα-helixtrans-72.6-40.5172.3-73.9-173.1-72.800112.2L1385 K1387 V1395 T1420 T1421 F1422 C1426 G1427 S1429 I1431L1385-M1424 HydrophobicContact CD1-CE 4.31Å; L1385-M1424 HydrophobicContact CD1-SD 3.98Å; L1385-M1424 HydrophobicContact CD2-CB 4.31Å; L1385-M1424 HydrophobicContact CD2-CE 3.51Å; L1385-M1424 HydrophobicContact CD2-SD 4.21Å; L1385-M1424 HydrophobicContact CG-CE 3.61Å; L1385-M1424 HydrophobicContact CG-SD 3.93Å; K1387-M1424 HydrophobicContact CB-CE 3.72Å; K1387-M1424 HydrophobicContact CB-SD 3.7Å; K1387-M1424 HydrophobicContact CD-CG 4.36Å; K1387-M1424 HydrophobicContact CD-SD 4.05Å; K1387-M1424 HydrophobicContact CG-SD 4.33Å; V1395-M1424 HydrophobicContact CB-CE 3.91Å; V1395-M1424 HydrophobicContact CG1-CE 4.09Å; V1395-M1424 HydrophobicContact CG2-CE 3.68Å; T1420-M1424 HydrophobicContact CG2-CE 4.4Å; T1420-M1424 PolarHBondContact O-N 3.29Å; T1420-M1424 VanDerWaalsContact O-N 3.11Å; T1421-M1424 WeakPolarHBondContact O-CB 3.37Å; T1421-M1424 PolarHBondContact O-N 3.1Å; F1422-M1424 VanDerWaalsContact C-N 3.26Å; F1422-M1424 PolarHBondContact O-N 3.23Å; M1424-C1426 VanDerWaalsContact C-N 3.34Å; M1424-G1427 PolarHBondContact O-N 3.4Å; M1424-S1429 WeakPolarHBondContact CA-O 3.43Å; M1424-I1431 HydrophobicContact CB-CG1 4Å; M1424-I1431 HydrophobicContact CG-CG1 4.14Å; M1424-I1431 HydrophobicContact SD-CB 4.45Å; M1424-I1431 HydrophobicContact SD-CG1 4.14Å
1425L87Confident81.8Confident1 Ų131.1 Ų31.11%0.00520%0.204CC..Hα-helixtrans-65.7-35.8176.5-63.8176.5000112.6V1382 T1421 F1422 G1427 V1436 I1443 L1552 L1583V1382-L1425 HydrophobicContact CG2-CD2 3.92Å; T1421-L1425 HydrophobicContact CG2-CD1 4.27Å; T1421-L1425 HydrophobicContact CG2-CG 4.5Å; T1421-L1425 WeakPolarHBondContact O-CG 3.43Å; T1421-L1425 PolarHBondContact O-N 3.18Å; F1422-L1425 HydrophobicContact CD2-CD1 4.35Å; F1422-L1425 PolarHBondContact O-N 3.24Å; L1425-G1427 VanDerWaalsContact C-N 3.26Å; L1425-G1427 PolarHBondContact O-N 2.9Å; L1425-V1436 HydrophobicContact CD2-CB 4.3Å; L1425-V1436 HydrophobicContact CD2-CG1 3.5Å; L1425-V1436 HydrophobicContact CD2-CG2 3.9Å; L1425-I1443 HydrophobicContact CD2-CD1 4.48Å; L1425-I1443 VanDerWaalsContact O-CD1 3.32Å; L1425-I1443 WeakPolarHBondContact O-CD1 3.38Å; L1425-L1552 HydrophobicContact CB-CD1 3.82Å; L1425-L1583 HydrophobicContact CD1-CD2 3.42Å; L1425-L1583 VanDerWaalsContact CD1-CD2 3.42Å
1426C82.5Confident82.5Confident0 Ų027.7 Ų27.70%017%0.17CC..THydrogen-bonded Turntrans-85.45.9175.8-62.10000112.9L1121 F1422 M1424 C1428 W1447 Y1456 L1552L1121-C1426 HydrophobicContact CD1-CB 4.31Å; L1121-C1426 WeakPolarHBondContact CD1-O 3.45Å; F1422-C1426 WeakPolarHBondContact O-CB 3.22Å; F1422-C1426 PolarHBondContact O-N 3.17Å; F1422-C1426 PolarHBondContact O-SG 2.79Å; M1424-C1426 VanDerWaalsContact C-N 3.34Å; C1426-C1428 WeakPolarHBondContact CB-SG 3.46Å; C1426-C1428 PolarHBondContact O-N 3.41Å; C1426-W1447 WeakPolarHBondContact O-CH2 2.8Å; C1426-Y1456 WeakPolarHBondContact SG-CD2 3.25Å; C1426-L1552 VanDerWaalsContact SG-CD1 3.54Å
1427G72.6Confident82.7Confident37 Ų3728.9 Ų28.938%0.38118%0.175SC..THydrogen-bonded Turntrans65.36.2-179.400000115.5Q1423 M1424 L1425 S1429Q1423-G1427 CarbonylContact O-C 3.43Å; Q1423-G1427 PolarHBondContact O-N 3.24Å; M1424-G1427 PolarHBondContact O-N 3.4Å; L1425-G1427 VanDerWaalsContact C-N 3.26Å; L1425-G1427 PolarHBondContact O-N 2.9Å; G1427-S1429 VanDerWaalsContact C-N 3.29Å; G1427-S1429 PolarHBondContact O-N 3.25Å
1428C71.6Confident82.8Confident49 Ų4928.8 Ų28.833%0.33117%0.173SC..SBendtrans-69-29.8176.4-13.60000112.2H1117 Q1423 C1426H1117-C1428 PolarHBondContact CE1-SG 3.16Å; H1117-C1428 PolarHBondContact NE2-SG 2.61Å; Q1423-C1428 HydrophobicContact CB-CB 4.24Å; Q1423-C1428 HydrophobicContact CG-CB 4.44Å; Q1423-C1428 WeakPolarHBondContact O-CA 3.42Å; Q1423-C1428 PolarHBondContact O-N 3.09Å; Q1423-C1428 PolarHBondContact O-SG 3.25Å; C1426-C1428 WeakPolarHBondContact CB-SG 3.46Å; C1426-C1428 PolarHBondContact O-N 3.41Å
1429S74.6Confident82.4Confident11 Ų1130.1 Ų30.18%0.07719%0.189CC..SBendtrans-123.8125.7-178.7-166.70000109.3K1387 Y1389 Q1423 M1424 G1427 I1431K1387-S1429 WeakPolarHBondContact CE-OG 3.43Å; K1387-S1429 PolarHBondContact NZ-OG 3.2Å; Y1389-S1429 PolarHBondContact OH-OG 2.97Å; Q1423-S1429 PolarHBondContact O-N 2.89Å; M1424-S1429 WeakPolarHBondContact CA-O 3.43Å; G1427-S1429 VanDerWaalsContact C-N 3.29Å; G1427-S1429 PolarHBondContact O-N 3.25Å; S1429-I1431 PolarHBondContact O-N 3.42Å
1430R75.8Confident82.1Confident165 Ų16531.3 Ų31.362%0.62321%0.207SC*.  trans-62.4131.6178.4-173.4175.3177.71680.6111.2K1387 S1432K1387-R1430 VanDerWaalsContact CD-O 3.31Å; K1387-R1430 WeakPolarHBondContact CD-O 3.44Å; K1387-R1430 PolarHBondContact NZ-O 2.81Å; R1430-S1432 PolarHBondContact O-N 3.3Å
1431I82.9Confident81.9Confident20 Ų2030.3 Ų30.310%0.10320%0.201CC..  trans-65.6126.4173.9-60.4171.5000109.1L1385 M1424 S1429 G1433 V1436 Q1444L1385-I1431 HydrophobicContact CD1-CB 4.38Å; L1385-I1431 HydrophobicContact CD1-CD1 3.96Å; L1385-I1431 HydrophobicContact CD1-CG1 3.91Å; L1385-I1431 HydrophobicContact CD1-CG2 3.62Å; M1424-I1431 HydrophobicContact CB-CG1 4Å; M1424-I1431 HydrophobicContact CG-CG1 4.14Å; M1424-I1431 HydrophobicContact SD-CB 4.45Å; M1424-I1431 HydrophobicContact SD-CG1 4.14Å; S1429-I1431 PolarHBondContact O-N 3.42Å; I1431-G1433 WeakPolarHBondContact CG2-O 3.47Å; I1431-V1436 HydrophobicContact CD1-CG2 4.03Å; I1431-Q1444 HydrophobicContact CD1-CG 3.99Å; I1431-Q1444 VanDerWaalsContact CG2-NE2 3.32Å
1432S82.5Confident81.6Confident68 Ų6830.5 Ų30.548%0.47620%0.203SC..SBendtrans-85.7-24.1178.7-570000112.8C1386 R1388 R1430C1386-S1432 WeakPolarHBondContact O-CA 3.37Å; C1386-S1432 WeakPolarHBondContact O-CB 2.9Å; C1386-S1432 PolarHBondContact O-N 3.3Å; R1388-S1432 PolarHBondContact N-OG 2.73Å; R1430-S1432 PolarHBondContact O-N 3.3Å
1433G80.7Confident81.3Confident26 Ų2631 Ų3127%0.26821%0.205SC..EExtended strand (participates in β ladder)trans-167.7157176.800000110.2C1386 I1431C1386-G1433 PolarHBondContact N-O 2.79Å; C1386-G1433 PolarHBondContact O-N 3.42Å; I1431-G1433 WeakPolarHBondContact CG2-O 3.47Å
1434G82.6Confident81Confident32 Ų3232.5 Ų32.533%0.3321%0.212SC..EExtended strand (participates in β ladder)trans82.5-177.3-172.600000113.7K1383 E1384 Q1444K1383-G1434 CarbonylContact O-C 3.52Å; K1383-G1434 WeakPolarHBondContact O-CA 3.41Å; E1384-G1434 WeakPolarHBondContact O-CA 3.49Å; G1434-Q1444 PolarHBondContact O-NE2 2.78Å
1435N83.8Confident80.6Confident25 Ų2540.7 Ų40.713%0.13424%0.243CC..EExtended strand (participates in β ladder)trans-143.2159.2-179.9-157.3-1.4000110.9K1383 F1437 S1442K1383-N1435 PolarHBondContact N-O 3.3Å; K1383-N1435 PolarHBondContact O-N 3.14Å; N1435-F1437 HydrophobicContact CB-CE2 4.15Å; N1435-F1437 HydrophobicContact CB-CZ 4.34Å; N1435-S1442 PolarHBondContact ND2-OG 3.36Å; N1435-S1442 PolarHBondContact OD1-OG 3.45Å
1436V87.5Confident80.3Confident0 Ų045 Ų450%026%0.263CS..EExtended strand (participates in β ladder)trans-132.1132.9177.9-179.70000109G1381 V1382 L1385 L1425 I1431 I1438 S1442 I1443G1381-V1436 CarbonylContact O-C 3.37Å; G1381-V1436 WeakPolarHBondContact O-CA 3.45Å; V1382-V1436 HydrophobicContact CG1-CG2 4.38Å; V1382-V1436 HydrophobicContact CG2-CG1 4.27Å; V1382-V1436 HydrophobicContact CG2-CG2 4.46Å; L1385-V1436 HydrophobicContact CD1-CG2 3.73Å; L1385-V1436 HydrophobicContact CD2-CG2 4.43Å; L1425-V1436 HydrophobicContact CD2-CB 4.3Å; L1425-V1436 HydrophobicContact CD2-CG1 3.5Å; L1425-V1436 HydrophobicContact CD2-CG2 3.9Å; I1431-V1436 HydrophobicContact CD1-CG2 4.03Å; V1436-I1438 HydrophobicContact CG1-CG1 4.28Å; V1436-S1442 CarbonylContact O-C 3.52Å; V1436-S1442 VanDerWaalsContact O-CA 3.31Å; V1436-S1442 WeakPolarHBondContact O-CA 3.32Å; V1436-I1443 HydrophobicContact CB-CB 4.35Å; V1436-I1443 HydrophobicContact CB-CD1 3.61Å; V1436-I1443 HydrophobicContact CB-CG1 3.96Å; V1436-I1443 HydrophobicContact CG1-CD1 3.38Å; V1436-I1443 HydrophobicContact CG1-CG1 3.96Å; V1436-I1443 HydrophobicContact CG2-CD1 4.37Å; V1436-I1443 PolarHBondContact O-N 3.27Å
1437F85.8Confident80.3Confident26 Ų2648.5 Ų48.511%0.11428%0.276CS..EExtended strand (participates in β ladder)trans-114.9129.9177.8-56.3-90.2000109.4I1380 G1381 N1435 S1441I1380-F1437 CarbonylContact C-O 3.59Å; I1380-F1437 WeakPolarHBondContact CA-O 3.05Å; G1381-F1437 PolarHBondContact N-O 2.74Å; G1381-F1437 PolarHBondContact O-N 2.91Å; N1435-F1437 HydrophobicContact CB-CE2 4.15Å; N1435-F1437 HydrophobicContact CB-CZ 4.34Å; F1437-S1441 WeakPolarHBondContact CA-O 3.4Å
1438I85.7Confident80.6Confident1 Ų151.6 Ų51.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-126.6121.1174-61-173.2000107.5M1379 V1436 G1440 S1441 I1443 T1450 M1453 L1454 V1550M1379-I1438 HydrophobicContact CE-CG2 4.23Å; M1379-I1438 WeakPolarHBondContact O-CA 3.33Å; V1436-I1438 HydrophobicContact CG1-CG1 4.28Å; I1438-G1440 PolarHBondContact O-N 3.05Å; I1438-S1441 PolarHBondContact N-O 3.31Å; I1438-S1441 PolarHBondContact O-N 3.23Å; I1438-I1443 HydrophobicContact CD1-CD1 3.87Å; I1438-I1443 HydrophobicContact CD1-CG1 4.27Å; I1438-I1443 HydrophobicContact CG1-CD1 4.3Å; I1438-I1443 HydrophobicContact CG1-CG1 4.37Å; I1438-T1450 HydrophobicContact CB-CG2 3.6Å; I1438-T1450 HydrophobicContact CD1-CG2 3.61Å; I1438-T1450 HydrophobicContact CG1-CG2 3.85Å; I1438-T1450 HydrophobicContact CG2-CG2 4.2Å; I1438-M1453 HydrophobicContact CG2-CE 4.26Å; I1438-M1453 VanDerWaalsContact O-CE 3.26Å; I1438-M1453 WeakPolarHBondContact O-CE 3.13Å; I1438-L1454 HydrophobicContact CD1-CD1 3.97Å; I1438-V1550 HydrophobicContact CG2-CG2 3.88Å
1439G77.7Confident80.8Confident37 Ų3757.1 Ų57.138%0.38131%0.306SS..THydrogen-bonded Turntrans53.637.3-175.100000112.8M1379 S1441M1379-G1439 PolarHBondContact O-N 2.83Å; G1439-S1441 VanDerWaalsContact C-N 3.25Å; G1439-S1441 PolarHBondContact O-N 3.02Å
1440G77.3Confident81.2Confident60 Ų6056.6 Ų56.662%0.61930%0.302SS*.THydrogen-bonded Turntrans75.2-2.1-175.500000116.1I1438I1438-G1440 PolarHBondContact O-N 3.05Å
1441S81.1Confident81.6Confident4 Ų449.7 Ų49.73%0.02828%0.276CS..EExtended strand (participates in β ladder)trans-100.2127.9-179.9-55.70000111.4F1437 I1438 G1439 R1449 T1450F1437-S1441 WeakPolarHBondContact CA-O 3.4Å; I1438-S1441 PolarHBondContact N-O 3.31Å; I1438-S1441 PolarHBondContact O-N 3.23Å; G1439-S1441 VanDerWaalsContact C-N 3.25Å; G1439-S1441 PolarHBondContact O-N 3.02Å; S1441-R1449 WeakPolarHBondContact OG-CD 3.34Å; S1441-T1450 PolarHBondContact O-OG1 3.41Å
1442S82.3Confident81.5Confident4 Ų450.4 Ų50.43%0.02829%0.286CS..EExtended strand (participates in β ladder)trans-72.7128.2177.9166.60000111.5N1435 V1436 Q1444 R1445 Q1446N1435-S1442 PolarHBondContact ND2-OG 3.36Å; N1435-S1442 PolarHBondContact OD1-OG 3.45Å; V1436-S1442 CarbonylContact O-C 3.52Å; V1436-S1442 VanDerWaalsContact O-CA 3.31Å; V1436-S1442 WeakPolarHBondContact O-CA 3.32Å; S1442-Q1444 PolarHBondContact O-N 2.96Å; S1442-Q1444 PolarHBondContact OG-N 3Å; S1442-R1445 PolarHBondContact O-N 3.17Å; S1442-Q1446 WeakPolarHBondContact O-CA 3.43Å; S1442-Q1446 PolarHBondContact O-N 3.47Å
1443I82.5Confident81.5Confident10 Ų1049 Ų495%0.05127%0.272CS..THydrogen-bonded Turntrans-54.8-40.4176.6-68.4-173000111.6L1425 V1436 I1438 W1447 T1450L1425-I1443 HydrophobicContact CD2-CD1 4.48Å; L1425-I1443 VanDerWaalsContact O-CD1 3.32Å; L1425-I1443 WeakPolarHBondContact O-CD1 3.38Å; V1436-I1443 HydrophobicContact CB-CB 4.35Å; V1436-I1443 HydrophobicContact CB-CD1 3.61Å; V1436-I1443 HydrophobicContact CB-CG1 3.96Å; V1436-I1443 HydrophobicContact CG1-CD1 3.38Å; V1436-I1443 HydrophobicContact CG1-CG1 3.96Å; V1436-I1443 HydrophobicContact CG2-CD1 4.37Å; V1436-I1443 PolarHBondContact O-N 3.27Å; I1438-I1443 HydrophobicContact CD1-CD1 3.87Å; I1438-I1443 HydrophobicContact CD1-CG1 4.27Å; I1438-I1443 HydrophobicContact CG1-CD1 4.3Å; I1438-I1443 HydrophobicContact CG1-CG1 4.37Å; I1443-W1447 HydrophobicContact CG2-CE3 3.84Å; I1443-W1447 HydrophobicContact CG2-CZ3 4.08Å; I1443-W1447 PolarHBondContact O-N 3.29Å; I1443-T1450 HydrophobicContact CD1-CG2 4.4Å; I1443-T1450 HydrophobicContact CG1-CG2 3.64Å
1444Q77.9Confident81.8Confident106 Ų10647.9 Ų47.950%0.49526%0.26SS..THydrogen-bonded Turntrans-73.1-38.7-176-65-177.95.400112.7I1431 G1434 S1442I1431-Q1444 HydrophobicContact CD1-CG 3.99Å; I1431-Q1444 VanDerWaalsContact CG2-NE2 3.32Å; G1434-Q1444 PolarHBondContact O-NE2 2.78Å; S1442-Q1444 PolarHBondContact O-N 2.96Å; S1442-Q1444 PolarHBondContact OG-N 3Å
1445R77.7Confident82.1Confident173 Ų17346.5 Ų46.565%0.65325%0.245SC*.THydrogen-bonded Turntrans-87.6-34.9-177.1-63.8179.5-179.6161.4-2.4112.5D1371 S1442D1371-R1445 IonicContact OD1-NH1 2.66Å; D1371-R1445 PolarHBondContact OD1-NH1 3.3Å; D1371-R1445 IonicContact OD2-NH1 2.83Å; D1371-R1445 PolarHBondContact OD2-NH1 3.41Å; D1371-R1445 VanDerWaalsContact OD2-NH1 3.12Å; S1442-R1445 PolarHBondContact O-N 3.17Å
1446Q82.2Confident82.4Confident90 Ų9045.9 Ų45.942%0.42124%0.241SC..  trans-132.242.4-165.8-67.2174.8-31.800112.8S1442 S1448 R1449 T1450S1442-Q1446 WeakPolarHBondContact O-CA 3.43Å; S1442-Q1446 PolarHBondContact O-N 3.47Å; Q1446-S1448 VanDerWaalsContact C-N 3.29Å; Q1446-S1448 PolarHBondContact O-N 3.02Å; Q1446-S1448 VanDerWaalsContact O-N 3.15Å; Q1446-R1449 PolarHBondContact O-N 2.89Å; Q1446-T1450 PolarHBondContact O-N 2.91Å; Q1446-T1450 VanDerWaalsContact O-N 3.09Å; Q1446-T1450 PolarHBondContact O-OG1 2.87Å
1447W81.9Confident82.4Confident75 Ų7546 Ų4628%0.28424%0.242SC..Hα-helixtrans-47.6-45.5-177.7176.9-121000114.1L1121 C1426 I1443 R1449 T1450 K1451L1121-W1447 HydrophobicContact CD1-CH2 3.74Å; L1121-W1447 HydrophobicContact CD1-CZ2 3.95Å; C1426-W1447 WeakPolarHBondContact O-CH2 2.8Å; I1443-W1447 HydrophobicContact CG2-CE3 3.84Å; I1443-W1447 HydrophobicContact CG2-CZ3 4.08Å; I1443-W1447 PolarHBondContact O-N 3.29Å; W1447-R1449 VanDerWaalsContact C-N 3.29Å; W1447-R1449 PolarHBondContact O-N 2.99Å; W1447-T1450 PolarHBondContact O-N 2.03Å; W1447-K1451 HydrophobicContact CD2-CB 4.23Å; W1447-K1451 HydrophobicContact CE3-CB 4.46Å; W1447-K1451 HydrophobicContact CH2-CB 4.18Å; W1447-K1451 HydrophobicContact CH2-CG 4.43Å; W1447-K1451 HydrophobicContact CZ2-CB 3.99Å; W1447-K1451 HydrophobicContact CZ2-CD 3.8Å; W1447-K1451 HydrophobicContact CZ2-CG 4Å; W1447-K1451 HydrophobicContact CZ3-CB 4.45Å; W1447-K1451 WeakPolarHBondContact O-CB 3.45Å; W1447-K1451 PolarHBondContact O-N 3.41Å
1448S77.8Confident82.3Confident101 Ų10144.9 Ų44.971%0.70624%0.237SC*.Hα-helixtrans-60.3-36.9-178.3-550000113.2Q1446Q1446-S1448 VanDerWaalsContact C-N 3.29Å; Q1446-S1448 PolarHBondContact O-N 3.02Å; Q1446-S1448 VanDerWaalsContact O-N 3.15Å
1449R77.5Confident81.9Confident166 Ų16648.9 Ų48.963%0.62626%0.256SS*.Hα-helixtrans-76.3-43.6177.9-173.4175.8-178.2164.21.9111S1441 Q1446 W1447 A1452S1441-R1449 WeakPolarHBondContact OG-CD 3.34Å; Q1446-R1449 PolarHBondContact O-N 2.89Å; W1447-R1449 VanDerWaalsContact C-N 3.29Å; W1447-R1449 PolarHBondContact O-N 2.99Å; R1449-A1452 PolarHBondContact O-N 2.82Å
1450T82.2Confident81.6Confident0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-64.4-43.7179.5-56.50000112.4I1438 S1441 I1443 Q1446 W1447 A1452 M1453I1438-T1450 HydrophobicContact CB-CG2 3.6Å; I1438-T1450 HydrophobicContact CD1-CG2 3.61Å; I1438-T1450 HydrophobicContact CG1-CG2 3.85Å; I1438-T1450 HydrophobicContact CG2-CG2 4.2Å; S1441-T1450 PolarHBondContact O-OG1 3.41Å; I1443-T1450 HydrophobicContact CD1-CG2 4.4Å; I1443-T1450 HydrophobicContact CG1-CG2 3.64Å; Q1446-T1450 PolarHBondContact O-N 2.91Å; Q1446-T1450 VanDerWaalsContact O-N 3.09Å; Q1446-T1450 PolarHBondContact O-OG1 2.87Å; W1447-T1450 PolarHBondContact O-N 2.03Å; T1450-A1452 VanDerWaalsContact C-N 3.32Å; T1450-A1452 PolarHBondContact O-N 3.27Å; T1450-M1453 WeakPolarHBondContact O-CB 3.41Å; T1450-M1453 PolarHBondContact O-N 2.9Å; T1450-M1453 VanDerWaalsContact O-N 3.11Å
1451K83.7Confident81.3Confident19 Ų1951.9 Ų51.98%0.08324%0.244CC..Hα-helixtrans-60-37.8179.2175.8-179.2153.7-173.70113F1120 L1121 N1123 W1447 M1453 L1454F1120-K1451 WeakPolarHBondContact O-CE 3.32Å; F1120-K1451 PolarHBondContact O-NZ 3.42Å; L1121-K1451 VanDerWaalsContact C-CE 3.44Å; L1121-K1451 HydrophobicContact CD1-CG 4.43Å; L1121-K1451 WeakPolarHBondContact O-CE 3.14Å; L1121-K1451 WeakPolarHBondContact O-CG 3.17Å; N1123-K1451 VanDerWaalsContact CA-NZ 3.32Å; N1123-K1451 WeakPolarHBondContact OD1-CE 3.3Å; W1447-K1451 HydrophobicContact CD2-CB 4.23Å; W1447-K1451 HydrophobicContact CE3-CB 4.46Å; W1447-K1451 HydrophobicContact CH2-CB 4.18Å; W1447-K1451 HydrophobicContact CH2-CG 4.43Å; W1447-K1451 HydrophobicContact CZ2-CB 3.99Å; W1447-K1451 HydrophobicContact CZ2-CD 3.8Å; W1447-K1451 HydrophobicContact CZ2-CG 4Å; W1447-K1451 HydrophobicContact CZ3-CB 4.45Å; W1447-K1451 WeakPolarHBondContact O-CB 3.45Å; W1447-K1451 PolarHBondContact O-N 3.41Å; K1451-M1453 PolarHBondContact O-N 2.72Å; K1451-L1454 PolarHBondContact O-N 3Å
1452A80.4Confident80.7Confident36 Ų3651.8 Ų51.830%0.29824%0.244SC..THydrogen-bonded Turntrans-68-16.4178.600000114R1449 T1450R1449-A1452 PolarHBondContact O-N 2.82Å; T1450-A1452 VanDerWaalsContact C-N 3.32Å; T1450-A1452 PolarHBondContact O-N 3.27Å
1453M82.8Confident80.5Confident37 Ų3752 Ų5218%0.18224%0.244CC..THydrogen-bonded Turntrans-94.3-2.8178.3-64.9-171.9-6900113.3I1438 T1450 K1451 P1549 V1550I1438-M1453 HydrophobicContact CG2-CE 4.26Å; I1438-M1453 VanDerWaalsContact O-CE 3.26Å; I1438-M1453 WeakPolarHBondContact O-CE 3.13Å; T1450-M1453 WeakPolarHBondContact O-CB 3.41Å; T1450-M1453 PolarHBondContact O-N 2.9Å; T1450-M1453 VanDerWaalsContact O-N 3.11Å; K1451-M1453 PolarHBondContact O-N 2.72Å; M1453-P1549 HydrophobicContact CB-CG 3.77Å; M1453-P1549 HydrophobicContact CG-CG 4.17Å; M1453-P1549 WeakPolarHBondContact O-CD 3.38Å; M1453-P1549 WeakPolarHBondContact O-CG 3.21Å; M1453-V1550 PolarHBondContact O-N 3.18Å
1454L87.8Confident80Confident4 Ų452.3 Ų52.32%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-107.6129.9-169.5-157.774.4000112L1121 I1438 K1451 V1550 L1552L1121-L1454 HydrophobicContact CD1-CD2 4.14Å; L1121-L1454 HydrophobicContact CD2-CD2 4.43Å; I1438-L1454 HydrophobicContact CD1-CD1 3.97Å; K1451-L1454 PolarHBondContact O-N 3Å; L1454-V1550 HydrophobicContact CD1-CB 4.13Å; L1454-V1550 HydrophobicContact CD1-CG1 3.8Å; L1454-L1552 HydrophobicContact CD1-CD1 3.74Å; L1454-L1552 HydrophobicContact CD1-CD2 4.42Å; L1454-L1552 HydrophobicContact CD1-CG 3.7Å; L1454-L1552 HydrophobicContact CD2-CD1 3.9Å; L1454-L1552 HydrophobicContact CG-CD1 4.14Å; L1454-L1552 HydrophobicContact CG-CG 4.24Å
1455G88.4Confident79.5Confident2 Ų249.8 Ų49.82%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-103.1138.8158.800000109.3A1543 P1548 V1550 L1552G1455-A1543 WeakPolarHBondContact CA-O 3.47Å; G1455-P1548 VanDerWaalsContact N-CB 3.31Å; G1455-V1550 PolarHBondContact N-O 3Å; G1455-L1552 PolarHBondContact O-N 3.13Å
1456Y89.7Confident79.2Confident13 Ų1342 Ų425%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-135.1126-179.8176.2-129.7000111.5L1118 L1121 F1422 C1426 P1458 L1552 D1554L1118-Y1456 HydrophobicContact CD1-CD1 4.41Å; L1121-Y1456 HydrophobicContact CD2-CD1 3.65Å; L1121-Y1456 HydrophobicContact CD2-CG 3.82Å; F1422-Y1456 HydrophobicContact CD1-CE2 4.09Å; C1426-Y1456 WeakPolarHBondContact SG-CD2 3.25Å; Y1456-P1458 HydrophobicContact CD1-CB 4.5Å; Y1456-P1458 HydrophobicContact CE1-CB 3.74Å; Y1456-P1458 HydrophobicContact CE1-CG 4.28Å; Y1456-L1552 CarbonylContact C-O 3.57Å; Y1456-L1552 WeakPolarHBondContact CA-O 3.41Å; Y1456-L1552 HydrophobicContact CD2-CB 3.88Å; Y1456-D1554 HydrophobicContact CE2-CB 4.24Å
1457C88.9Confident79.1Confident1 Ų137.9 Ų37.91%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-108.7105.1169.1-175.40000108.9A1543 L1552 L1553 D1554C1457-A1543 HydrophobicContact CB-CB 4.13Å; C1457-L1552 PolarHBondContact N-O 2.94Å; C1457-L1553 HydrophobicContact CB-CD2 3.47Å; C1457-L1553 VanDerWaalsContact CB-CD2 3.47Å; C1457-D1554 PolarHBondContact O-N 3.23Å
1458P83.4Confident79.1Confident4 Ų435 Ų353%0.02618%0.178CC..  trans-69.5161.4179.923.5-29.7000113.7Y1456 F1460 A1462 R1536Y1456-P1458 HydrophobicContact CD1-CB 4.5Å; Y1456-P1458 HydrophobicContact CE1-CB 3.74Å; Y1456-P1458 HydrophobicContact CE1-CG 4.28Å; P1458-F1460 VanDerWaalsContact C-N 3.26Å; P1458-F1460 HydrophobicContact CB-CE1 4.32Å; P1458-F1460 HydrophobicContact CB-CE2 4.37Å; P1458-F1460 HydrophobicContact CB-CZ 4.22Å; P1458-F1460 WeakPolarHBondContact CG-O 3.14Å; P1458-F1460 PolarHBondContact O-N 3.43Å; P1458-A1462 HydrophobicContact CG-CB 3.8Å; P1458-R1536 PolarHBondContact O-NH1 3.14Å
1459Q77.3Confident79.3Confident85 Ų8530.2 Ų30.240%0.39715%0.145SC..SBendtrans-58.6-36.7176.6-179.1178.531.200112.9R1536 D1554 E1555Q1459-R1536 PolarHBondContact O-NH1 3.15Å; Q1459-R1536 PolarHBondContact O-NH2 2.96Å; Q1459-D1554 WeakPolarHBondContact CA-O 3.14Å; Q1459-D1554 HydrophobicContact CB-CB 4.29Å; Q1459-D1554 PolarHBondContact N-O 2.75Å; Q1459-E1555 HydrophobicContact CG-CB 4.09Å; Q1459-E1555 HydrophobicContact CG-CG 4.26Å
1460F71.8Confident79.7Confident107 Ų10724.7 Ų24.747%0.46913%0.129SC..SBendtrans-97150.2175.354.3-91.3000110.7C1113 P1458 A1462C1113-F1460 VanDerWaalsContact O-CE2 3.25Å; C1113-F1460 WeakPolarHBondContact O-CE2 3.4Å; P1458-F1460 VanDerWaalsContact C-N 3.26Å; P1458-F1460 HydrophobicContact CB-CE1 4.32Å; P1458-F1460 HydrophobicContact CB-CE2 4.37Å; P1458-F1460 HydrophobicContact CB-CZ 4.22Å; P1458-F1460 WeakPolarHBondContact CG-O 3.14Å; P1458-F1460 PolarHBondContact O-N 3.43Å; F1460-A1462 HydrophobicContact CD2-CB 4.06Å; F1460-A1462 HydrophobicContact CE2-CB 3.77Å; F1460-A1462 PolarHBondContact O-N 3Å
1461D69.8Low80Confident53 Ų5326.5 Ų26.528%0.28314%0.138SC..  trans-71.495.1175.8-69.4-38.3000110.8L1463 K1535 R1536 S1539D1461-L1463 HydrophobicContact CB-CD1 3.99Å; D1461-L1463 HydrophobicContact CB-CG 4.2Å; D1461-L1463 PolarHBondContact O-N 3.12Å; D1461-K1535 HydrophobicContact CB-CB 4.38Å; D1461-K1535 WeakPolarHBondContact OD2-CB 3.38Å; D1461-R1536 IonicContact OD1-NH1 2.76Å; D1461-S1539 PolarHBondContact OD1-OG 3Å
1462A69.2Low80.2Confident2 Ų225.6 Ų25.62%0.01713%0.134CC..  trans-77.353.8-179.500000113.1C1113 L1118 P1458 F1460C1113-A1462 WeakPolarHBondContact O-CA 3.14Å; C1113-A1462 WeakPolarHBondContact O-CB 3.24Å; L1118-A1462 HydrophobicContact CD2-CB 3.97Å; P1458-A1462 HydrophobicContact CG-CB 3.8Å; F1460-A1462 HydrophobicContact CD2-CB 4.06Å; F1460-A1462 HydrophobicContact CE2-CB 3.77Å; F1460-A1462 PolarHBondContact O-N 3Å
1463L78Confident80.6Confident7 Ų723.9 Ų23.94%0.03712%0.12CC..  trans-108.8149.5-170-58.6173.1000111.9D1461 D1465 T1472 V1508 K1535 L1538 I1542D1461-L1463 HydrophobicContact CB-CD1 3.99Å; D1461-L1463 HydrophobicContact CB-CG 4.2Å; D1461-L1463 PolarHBondContact O-N 3.12Å; L1463-D1465 PolarHBondContact O-N 3.09Å; L1463-T1472 HydrophobicContact CD2-CG2 4.5Å; L1463-V1508 HydrophobicContact CB-CG1 3.95Å; L1463-V1508 HydrophobicContact CD1-CG1 3.96Å; L1463-K1535 HydrophobicContact CD1-CB 3.91Å; L1463-K1535 HydrophobicContact CD1-CG 4.28Å; L1463-L1538 HydrophobicContact CD1-CB 4.31Å; L1463-L1538 HydrophobicContact CD1-CD2 4.04Å; L1463-L1538 HydrophobicContact CD1-CG 4.34Å; L1463-L1538 HydrophobicContact CD2-CB 4.47Å; L1463-L1538 HydrophobicContact CD2-CD2 3.89Å; L1463-L1538 HydrophobicContact CD2-CG 3.82Å; L1463-I1542 HydrophobicContact CD2-CD1 3.29Å
1464F71.3Confident81Confident17 Ų1723.5 Ų23.58%0.07512%0.119CC..  trans-82.4111.2168.4-65.8-78.5000109.6K899 E1110 A1115 N1466 L1467 L1475K899-F1464 HydrophobicContact CD-CE1 4.35Å; K899-F1464 HydrophobicContact CD-CE2 4.32Å; K899-F1464 HydrophobicContact CD-CZ 4.03Å; E1110-F1464 HydrophobicContact CG-CE1 4.02Å; E1110-F1464 HydrophobicContact CG-CZ 4.15Å; E1110-F1464 VanDerWaalsContact OE1-CZ 3.28Å; E1110-F1464 WeakPolarHBondContact OE1-CZ 3.41Å; A1115-F1464 HydrophobicContact CB-CD2 4.45Å; A1115-F1464 HydrophobicContact CB-CE1 3.88Å; A1115-F1464 HydrophobicContact CB-CE2 3.67Å; A1115-F1464 HydrophobicContact CB-CZ 3.29Å; F1464-N1466 PolarHBondContact O-N 2.8Å; F1464-N1466 VanDerWaalsContact O-N 3.11Å; F1464-L1467 HydrophobicContact CB-CB 4.06Å; F1464-L1467 HydrophobicContact CB-CD1 3.78Å; F1464-L1467 HydrophobicContact CB-CG 3.81Å; F1464-L1467 HydrophobicContact CD2-CD1 3.85Å; F1464-L1467 HydrophobicContact CG-CD1 3.94Å; F1464-L1467 HydrophobicContact CG-CG 4.45Å; F1464-L1467 PolarHBondContact O-N 3.14Å; F1464-L1467 VanDerWaalsContact O-N 3.12Å; F1464-L1475 HydrophobicContact CD2-CD2 4.3Å; F1464-L1475 HydrophobicContact CE2-CD2 4.03Å
1465D67.7Low81.2Confident53 Ų5323.7 Ų23.728%0.28312%0.12SC..THydrogen-bonded Turntrans-48.3-41.7176.1-70.4-31.9000112.9R1109 L1463 L1467 V1508 A1509R1109-D1465 IonicContact CZ-OD2 3.72Å; R1109-D1465 IonicContact NE-OD2 3.68Å; R1109-D1465 IonicContact NH2-OD2 3.71Å; R1109-D1465 PolarHBondContact NH2-OD2 3.44Å; L1463-D1465 PolarHBondContact O-N 3.09Å; D1465-L1467 PolarHBondContact O-N 3.24Å; D1465-V1508 PolarHBondContact O-N 3.02Å; D1465-A1509 CarbonylContact C-O 3.26Å; D1465-A1509 HydrophobicContact CB-CB 3.81Å; D1465-A1509 PolarHBondContact O-N 3Å; D1465-A1509 WeakPolarHBondContact OD1-CB 3.37Å
1466N71.8Confident81.3Confident9 Ų923.6 Ų23.65%0.04812%0.119CC..THydrogen-bonded Turntrans-82.1-6.8-172.3-71.9-17.3000114.1D903 R906 R1109 F1464D903-N1466 WeakPolarHBondContact OD1-CB 3.32Å; D903-N1466 PolarHBondContact OD1-ND2 2.84Å; R906-N1466 WeakPolarHBondContact CD-O 3.37Å; R906-N1466 PolarHBondContact NH1-O 3.3Å; R1109-N1466 PolarHBondContact NH1-ND2 2.89Å; F1464-N1466 PolarHBondContact O-N 2.8Å; F1464-N1466 VanDerWaalsContact O-N 3.11Å
1467L79.9Confident81.3Confident4 Ų423 Ų232%0.02112%0.117CC..SBendtrans-95.3154.3179.4-67-178.9000111.9K899 L902 F1464 D1465 E1471 T1472 L1475 V1508K899-L1467 HydrophobicContact CG-CD1 4.47Å; L902-L1467 HydrophobicContact CB-CD2 3.65Å; L902-L1467 HydrophobicContact CD1-CD2 3.81Å; L902-L1467 HydrophobicContact CG-CD2 4.4Å; F1464-L1467 HydrophobicContact CB-CB 4.06Å; F1464-L1467 HydrophobicContact CB-CD1 3.78Å; F1464-L1467 HydrophobicContact CB-CG 3.81Å; F1464-L1467 HydrophobicContact CD2-CD1 3.85Å; F1464-L1467 HydrophobicContact CG-CD1 3.94Å; F1464-L1467 HydrophobicContact CG-CG 4.45Å; F1464-L1467 PolarHBondContact O-N 3.14Å; F1464-L1467 VanDerWaalsContact O-N 3.12Å; D1465-L1467 PolarHBondContact O-N 3.24Å; L1467-E1471 HydrophobicContact CB-CB 4.47Å; L1467-E1471 HydrophobicContact CD2-CB 4.29Å; L1467-T1472 WeakPolarHBondContact CB-OG1 3.34Å; L1467-L1475 HydrophobicContact CD1-CD2 4.16Å; L1467-V1508 WeakPolarHBondContact O-CG2 3.13Å; L1467-V1508 PolarHBondContact O-N 3.37Å; L1467-V1508 VanDerWaalsContact O-N 3.15Å
1468T82.4Confident81.5Confident15 Ų1525.1 Ų25.19%0.09213%0.125CC..BIsolated β-bridgetrans-83.4169169.359.40000110.1V1470 E1471 T1472 K1507T1468-V1470 VanDerWaalsContact C-N 3.35Å; T1468-V1470 PolarHBondContact O-N 2.74Å; T1468-E1471 WeakPolarHBondContact CB-OE2 3.23Å; T1468-E1471 WeakPolarHBondContact CG2-OE2 3.01Å; T1468-E1471 PolarHBondContact N-OE2 2.87Å; T1468-E1471 PolarHBondContact O-N 2.85Å; T1468-E1471 WeakPolarHBondContact OG1-CB 3.02Å; T1468-E1471 VanDerWaalsContact OG1-CG 3.22Å; T1468-E1471 WeakPolarHBondContact OG1-CG 2.97Å; T1468-E1471 PolarHBondContact OG1-N 2.96Å; T1468-E1471 PolarHBondContact OG1-OE2 3.26Å; T1468-T1472 WeakPolarHBondContact O-CB 3.44Å; T1468-T1472 PolarHBondContact O-N 3.4Å; T1468-T1472 PolarHBondContact O-OG1 2.89Å; T1468-K1507 HydrophobicContact CG2-CG 4.27Å
1469V82Confident81.8Confident0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-56.5-50.6174.6173.30000110.7E1471 T1472 L1473 M1495 L1500 F1530 L1538V1469-E1471 PolarHBondContact O-N 2.83Å; V1469-T1472 PolarHBondContact O-N 2.79Å; V1469-L1473 HydrophobicContact CG1-CD1 3.94Å; V1469-L1473 WeakPolarHBondContact O-CG 3.4Å; V1469-L1473 PolarHBondContact O-N 3.14Å; V1469-M1495 HydrophobicContact CG1-CE 4.33Å; V1469-M1495 HydrophobicContact CG1-CG 3.97Å; V1469-M1495 HydrophobicContact CG1-SD 4.02Å; V1469-L1500 HydrophobicContact CG1-CB 4.42Å; V1469-L1500 HydrophobicContact CG1-CD1 4.15Å; V1469-F1530 HydrophobicContact CG2-CE1 4.4Å; V1469-F1530 HydrophobicContact CG2-CE2 3.7Å; V1469-F1530 HydrophobicContact CG2-CZ 3.41Å; V1469-F1530 VanDerWaalsContact CG2-CZ 3.41Å; V1469-L1538 HydrophobicContact CB-CD1 4.43Å; V1469-L1538 HydrophobicContact CG1-CD1 3.91Å; V1469-L1538 HydrophobicContact CG2-CD1 4.48Å; V1469-L1538 HydrophobicContact CG2-CD2 4.32Å
1470V85.9Confident82.3Confident50 Ų5021.5 Ų21.530%0.30311%0.108SC..Hα-helixtrans-61.2-44.4-177.5177.10000111T1468 T1474 V1491 M1495 A1504T1468-V1470 VanDerWaalsContact C-N 3.35Å; T1468-V1470 PolarHBondContact O-N 2.74Å; V1470-T1474 VanDerWaalsContact O-CB 3.23Å; V1470-T1474 WeakPolarHBondContact O-CB 3.5Å; V1470-T1474 PolarHBondContact O-N 2.8Å; V1470-T1474 PolarHBondContact O-OG1 3.21Å; V1470-V1491 HydrophobicContact CG1-CG1 4.27Å; V1470-M1495 HydrophobicContact CG2-CE 3.9Å; V1470-M1495 HydrophobicContact CG2-SD 3.72Å; V1470-A1504 HydrophobicContact CG2-CB 4.2Å
1471E88.2Confident83Confident39 Ų3916.4 Ų16.418%0.1829%0.085CC..Hα-helixtrans-69.2-37.3179.6-69.9160.1156.600112.7L902 R906 L1467 T1468 V1469 T1474 L1475L902-E1471 HydrophobicContact CD1-CB 4.12Å; L902-E1471 HydrophobicContact CD1-CG 3.84Å; L902-E1471 WeakPolarHBondContact CD2-OE1 3.06Å; R906-E1471 IonicContact CZ-OE1 3.86Å; R906-E1471 IonicContact CZ-OE2 2.65Å; R906-E1471 IonicContact NH1-OE1 3.04Å; R906-E1471 IonicContact NH1-OE2 3.53Å; R906-E1471 PolarHBondContact NH1-OE2 2.88Å; R906-E1471 IonicContact NH2-OE1 2.68Å; R906-E1471 PolarHBondContact NH2-OE1 3.03Å; R906-E1471 IonicContact NH2-OE2 3.8Å; R906-E1471 PolarHBondContact NH2-OE2 2.72Å; L1467-E1471 HydrophobicContact CB-CB 4.47Å; L1467-E1471 HydrophobicContact CD2-CB 4.29Å; T1468-E1471 WeakPolarHBondContact CB-OE2 3.23Å; T1468-E1471 WeakPolarHBondContact CG2-OE2 3.01Å; T1468-E1471 PolarHBondContact N-OE2 2.87Å; T1468-E1471 PolarHBondContact O-N 2.85Å; T1468-E1471 WeakPolarHBondContact OG1-CB 3.02Å; T1468-E1471 VanDerWaalsContact OG1-CG 3.22Å; T1468-E1471 WeakPolarHBondContact OG1-CG 2.97Å; T1468-E1471 PolarHBondContact OG1-N 2.96Å; T1468-E1471 PolarHBondContact OG1-OE2 3.26Å; V1469-E1471 PolarHBondContact O-N 2.83Å; E1471-T1474 PolarHBondContact O-N 2.86Å; E1471-L1475 VanDerWaalsContact O-CB 3.32Å; E1471-L1475 WeakPolarHBondContact O-CB 3.26Å; E1471-L1475 PolarHBondContact O-N 3.16Å
1472T88.2Confident84Confident0 Ų013.9 Ų13.90%07%0.072CC..Hα-helixtrans-64.4-47.7177-56.20000109.9L1463 L1467 T1468 V1469 L1475 Y1476 I1542L1463-T1472 HydrophobicContact CD2-CG2 4.5Å; L1467-T1472 WeakPolarHBondContact CB-OG1 3.34Å; T1468-T1472 WeakPolarHBondContact O-CB 3.44Å; T1468-T1472 PolarHBondContact O-N 3.4Å; T1468-T1472 PolarHBondContact O-OG1 2.89Å; V1469-T1472 PolarHBondContact O-N 2.79Å; T1472-L1475 WeakPolarHBondContact O-CB 3.45Å; T1472-L1475 PolarHBondContact O-N 2.84Å; T1472-Y1476 HydrophobicContact CG2-CD2 3.96Å; T1472-Y1476 HydrophobicContact CG2-CE2 3.88Å; T1472-Y1476 WeakPolarHBondContact O-CD2 3.32Å; T1472-Y1476 PolarHBondContact O-N 2.95Å; T1472-Y1476 VanDerWaalsContact O-N 3.07Å; T1472-I1542 HydrophobicContact CG2-CD1 3.66Å; T1472-I1542 HydrophobicContact CG2-CG1 4.12Å
1473L89.2Confident84.8Confident0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-67-37.9177.3-66175.2000112.1V1469 L1475 Y1476 A1477 V1491 M1495 L1538 A1541 I1542V1469-L1473 HydrophobicContact CG1-CD1 3.94Å; V1469-L1473 WeakPolarHBondContact O-CG 3.4Å; V1469-L1473 PolarHBondContact O-N 3.14Å; L1473-L1475 VanDerWaalsContact C-N 3.33Å; L1473-L1475 PolarHBondContact O-N 3.18Å; L1473-Y1476 PolarHBondContact O-N 2.98Å; L1473-A1477 WeakPolarHBondContact O-CB 3.03Å; L1473-A1477 PolarHBondContact O-N 2.86Å; L1473-V1491 HydrophobicContact CB-CB 4.43Å; L1473-V1491 HydrophobicContact CB-CG1 3.92Å; L1473-V1491 HydrophobicContact CB-CG2 3.91Å; L1473-V1491 HydrophobicContact CD1-CG1 4.24Å; L1473-M1495 HydrophobicContact CD1-CG 3.4Å; L1473-M1495 HydrophobicContact CD1-SD 4.13Å; L1473-L1538 HydrophobicContact CD2-CD1 4.19Å; L1473-L1538 HydrophobicContact CG-CD1 4.14Å; L1473-A1541 HydrophobicContact CD1-CB 4.34Å; L1473-A1541 HydrophobicContact CD2-CB 3.64Å; L1473-I1542 HydrophobicContact CD2-CG1 4.15Å
1474T90.5Very high85.2Confident28 Ų2818.5 Ų18.517%0.17210%0.102CC..Hα-helixtrans-61.4-41.4173.7-61.50000111.5V1470 E1471 R1478 I1487V1470-T1474 VanDerWaalsContact O-CB 3.23Å; V1470-T1474 WeakPolarHBondContact O-CB 3.5Å; V1470-T1474 PolarHBondContact O-N 2.8Å; V1470-T1474 PolarHBondContact O-OG1 3.21Å; E1471-T1474 PolarHBondContact O-N 2.86Å; T1474-R1478 WeakPolarHBondContact O-CG 2.96Å; T1474-R1478 PolarHBondContact O-N 3.19Å; T1474-R1478 VanDerWaalsContact O-N 3.08Å; T1474-I1487 HydrophobicContact CG2-CG2 4.03Å
1475L90.8Very high85.9Confident8 Ų828.8 Ų28.84%0.04214%0.141CC..Hα-helixtrans-59.8-53.5175.6171.563.7000110.6A895 K899 F1464 L1467 E1471 T1472 L1473 R1478 L1479A895-L1475 HydrophobicContact CB-CD1 3.9Å; K899-L1475 HydrophobicContact CB-CD1 4.21Å; K899-L1475 HydrophobicContact CB-CD2 4.4Å; K899-L1475 HydrophobicContact CD-CD2 3.97Å; K899-L1475 HydrophobicContact CG-CD2 4.1Å; F1464-L1475 HydrophobicContact CD2-CD2 4.3Å; F1464-L1475 HydrophobicContact CE2-CD2 4.03Å; L1467-L1475 HydrophobicContact CD1-CD2 4.16Å; E1471-L1475 VanDerWaalsContact O-CB 3.32Å; E1471-L1475 WeakPolarHBondContact O-CB 3.26Å; E1471-L1475 PolarHBondContact O-N 3.16Å; T1472-L1475 WeakPolarHBondContact O-CB 3.45Å; T1472-L1475 PolarHBondContact O-N 2.84Å; L1473-L1475 VanDerWaalsContact C-N 3.33Å; L1473-L1475 PolarHBondContact O-N 3.18Å; L1475-R1478 PolarHBondContact O-N 2.83Å; L1475-L1479 HydrophobicContact CD1-CD1 4.21Å; L1475-L1479 HydrophobicContact CD1-CG 4.36Å; L1475-L1479 HydrophobicContact CG-CD1 4.19Å; L1475-L1479 WeakPolarHBondContact O-CG 3.01Å; L1475-L1479 PolarHBondContact O-N 3.2Å
1476Y91.1Very high86.8Confident0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-69-34-178.7-74.6-73.3000113L1118 Q1119 S1122 T1472 L1473 R1478 L1479 H1480 I1542L1118-Y1476 HydrophobicContact CB-CE1 4.39Å; L1118-Y1476 HydrophobicContact CD2-CE1 4.13Å; L1118-Y1476 WeakPolarHBondContact CD2-OH 3.3Å; L1118-Y1476 HydrophobicContact CG-CE1 3.78Å; Q1119-Y1476 HydrophobicContact CG-CE1 4.46Å; S1122-Y1476 WeakPolarHBondContact OG-CD1 3.47Å; T1472-Y1476 HydrophobicContact CG2-CD2 3.96Å; T1472-Y1476 HydrophobicContact CG2-CE2 3.88Å; T1472-Y1476 WeakPolarHBondContact O-CD2 3.32Å; T1472-Y1476 PolarHBondContact O-N 2.95Å; T1472-Y1476 VanDerWaalsContact O-N 3.07Å; L1473-Y1476 PolarHBondContact O-N 2.98Å; Y1476-R1478 VanDerWaalsContact C-N 3.31Å; Y1476-R1478 PolarHBondContact O-N 2.74Å; Y1476-L1479 HydrophobicContact CD1-CD1 3.93Å; Y1476-L1479 HydrophobicContact CE1-CD1 4.14Å; Y1476-L1479 PolarHBondContact O-N 2.86Å; Y1476-H1480 PolarHBondContact O-CD2 3.35Å; Y1476-H1480 PolarHBondContact O-N 3.12Å; Y1476-I1542 HydrophobicContact CD1-CG2 3.76Å; Y1476-I1542 HydrophobicContact CD2-CB 4.23Å; Y1476-I1542 HydrophobicContact CD2-CD1 3.91Å; Y1476-I1542 HydrophobicContact CD2-CG1 3.69Å; Y1476-I1542 HydrophobicContact CD2-CG2 3.52Å; Y1476-I1542 HydrophobicContact CE1-CG2 4.02Å; Y1476-I1542 HydrophobicContact CE2-CD1 3.67Å; Y1476-I1542 HydrophobicContact CE2-CG1 3.99Å; Y1476-I1542 HydrophobicContact CE2-CG2 3.78Å; Y1476-I1542 HydrophobicContact CG-CG1 4.41Å; Y1476-I1542 HydrophobicContact CG-CG2 3.51Å
1477A90.6Very high87.5Confident0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-57.6-43.5171.100000111.8L1473 G1481 I1482 I1487 I1545L1473-A1477 WeakPolarHBondContact O-CB 3.03Å; L1473-A1477 PolarHBondContact O-N 2.86Å; A1477-G1481 PolarHBondContact O-N 2.92Å; A1477-I1482 HydrophobicContact CB-CD1 3.91Å; A1477-I1482 WeakPolarHBondContact O-CB 3.38Å; A1477-I1482 PolarHBondContact O-N 3.45Å; A1477-I1487 HydrophobicContact CB-CG1 4.42Å; A1477-I1487 HydrophobicContact CB-CG2 4.03Å; A1477-I1545 HydrophobicContact CB-CG1 3.94Å
1478R91.8Very high87.8Confident47 Ų4737.3 Ų37.318%0.17718%0.176CC..Hα-helixtrans-66.7-40.2174.9-71.6178.2-178.4159.42112.6Q891 Y894 A895 T1474 L1475 Y1476 G1481 I1487Q891-R1478 HydrophobicContact CG-CB 4.01Å; Q891-R1478 HydrophobicContact CG-CG 4.15Å; Y894-R1478 VanDerWaalsContact CE1-CZ 3.44Å; Y894-R1478 VanDerWaalsContact CE1-NH1 3.33Å; A895-R1478 HydrophobicContact CB-CB 3.69Å; A895-R1478 HydrophobicContact CB-CG 4.34Å; T1474-R1478 WeakPolarHBondContact O-CG 2.96Å; T1474-R1478 PolarHBondContact O-N 3.19Å; T1474-R1478 VanDerWaalsContact O-N 3.08Å; L1475-R1478 PolarHBondContact O-N 2.83Å; Y1476-R1478 VanDerWaalsContact C-N 3.31Å; Y1476-R1478 PolarHBondContact O-N 2.74Å; R1478-G1481 PolarHBondContact O-N 3.46Å; R1478-G1481 VanDerWaalsContact O-N 3.09Å; R1478-I1487 HydrophobicContact CG-CD1 3.59Å
1479L90.1Very high87.9Confident0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-64.1-42.1179-72.1177.3000111.8Q892 Q1119 S1122 M1124 L1475 Y1476 G1481Q892-L1479 HydrophobicContact CB-CD2 4.46Å; Q892-L1479 HydrophobicContact CG-CD2 4.22Å; Q892-L1479 PolarHBondContact NE2-O 3.31Å; Q1119-L1479 HydrophobicContact CB-CD1 4.26Å; Q1119-L1479 HydrophobicContact CG-CD1 3.85Å; S1122-L1479 CarbonylContact O-C 3.57Å; S1122-L1479 VanDerWaalsContact O-C 3.25Å; S1122-L1479 VanDerWaalsContact O-CB 3.32Å; S1122-L1479 WeakPolarHBondContact O-CB 3.3Å; M1124-L1479 HydrophobicContact CB-CD2 4.38Å; M1124-L1479 HydrophobicContact SD-CD2 4.43Å; L1475-L1479 HydrophobicContact CD1-CD1 4.21Å; L1475-L1479 HydrophobicContact CD1-CG 4.36Å; L1475-L1479 HydrophobicContact CG-CD1 4.19Å; L1475-L1479 WeakPolarHBondContact O-CG 3.01Å; L1475-L1479 PolarHBondContact O-N 3.2Å; Y1476-L1479 HydrophobicContact CD1-CD1 3.93Å; Y1476-L1479 HydrophobicContact CE1-CD1 4.14Å; Y1476-L1479 PolarHBondContact O-N 2.86Å; L1479-G1481 PolarHBondContact O-N 2.89Å
1480H88.2Confident88Confident13 Ų1340.6 Ų40.66%0.0621%0.205CC..THydrogen-bonded Turntrans-68.4-11.9172.5-77.8-69.3000114.3Y1476Y1476-H1480 PolarHBondContact O-CD2 3.35Å; Y1476-H1480 PolarHBondContact O-N 3.12Å
1481G87.3Confident88.1Confident0 Ų038.4 Ų38.40%019%0.191CC..THydrogen-bonded Turntrans85.920.5176.600000115.1K882 V883 A1477 R1478 L1479 S1483K882-G1481 CarbonylContact C-O 3.58Å; K882-G1481 WeakPolarHBondContact CA-O 3.48Å; V883-G1481 PolarHBondContact N-O 3.01Å; A1477-G1481 PolarHBondContact O-N 2.92Å; R1478-G1481 PolarHBondContact O-N 3.46Å; R1478-G1481 VanDerWaalsContact O-N 3.09Å; L1479-G1481 PolarHBondContact O-N 2.89Å; G1481-S1483 PolarHBondContact O-N 3.39Å
1482I89.6Confident87.9Confident0 Ų039.6 Ų39.60%020%0.201CC..BIsolated β-bridgetrans-61133.2176.8-61.1177.8000109.4T880 Q891 A1477 E1486 I1487 A1490 I1545T880-I1482 HydrophobicContact CG2-CG2 4.43Å; Q891-I1482 PolarHBondContact NE2-O 3.47Å; A1477-I1482 HydrophobicContact CB-CD1 3.91Å; A1477-I1482 WeakPolarHBondContact O-CB 3.38Å; A1477-I1482 PolarHBondContact O-N 3.45Å; I1482-E1486 HydrophobicContact CG2-CB 3.98Å; I1482-I1487 HydrophobicContact CB-CG1 4.32Å; I1482-I1487 HydrophobicContact CG2-CG1 4.13Å; I1482-A1490 HydrophobicContact CD1-CB 4.2Å; I1482-I1545 HydrophobicContact CD1-CG1 4.33Å; I1482-I1545 WeakPolarHBondContact CD1-O 3.34Å
1483S87.2Confident87.6Confident17 Ų1742.8 Ų42.812%0.11922%0.216CC..  trans-48.6131.1178177.10000111.7E881 G1481 R1485 E1486 I1487E881-S1483 WeakPolarHBondContact O-CB 3.5Å; E881-S1483 PolarHBondContact O-N 2.92Å; G1481-S1483 PolarHBondContact O-N 3.39Å; S1483-R1485 PolarHBondContact O-N 2.87Å; S1483-E1486 PolarHBondContact O-N 3.42Å; S1483-I1487 WeakPolarHBondContact O-CG1 3.45Å; S1483-I1487 PolarHBondContact O-N 3.39Å
1484P85.7Confident87.3Confident88 Ų8843.1 Ų43.157%0.57122%0.218SC*.THydrogen-bonded Turntrans-51.2-28-178.6-29.835.3000115.4
1485R85.3Confident86.9Confident234 Ų23442.3 Ų42.388%0.88321%0.212SC*.THydrogen-bonded Turntrans-71-32.8177.3-62.3179.6-179172.7-1.2112.5S1483S1483-R1485 PolarHBondContact O-N 2.87Å
1486E86.3Confident86.4Confident60 Ų6047.3 Ų47.328%0.2824%0.236SC..THydrogen-bonded Turntrans-93.1-17-175.1-63.7-177.7169.700113.2T880 E881 I1482 S1483 K1488 A1489 A1490T880-E1486 WeakPolarHBondContact CA-OE2 3.27Å; T880-E1486 WeakPolarHBondContact CB-OE2 3.23Å; E881-E1486 PolarHBondContact N-OE2 3.26Å; I1482-E1486 HydrophobicContact CG2-CB 3.98Å; S1483-E1486 PolarHBondContact O-N 3.42Å; E1486-K1488 VanDerWaalsContact C-N 3.29Å; E1486-K1488 PolarHBondContact O-N 3.49Å; E1486-A1489 PolarHBondContact O-N 2.57Å; E1486-A1490 PolarHBondContact O-N 3.18Å
1487I86.7Confident85.7Confident13 Ų1348.4 Ų48.47%0.06724%0.241CC..Hα-helixtrans-52.1-46.2-175.6-66.9174.7000112T1474 A1477 R1478 I1482 S1483 A1489 A1490 V1491T1474-I1487 HydrophobicContact CG2-CG2 4.03Å; A1477-I1487 HydrophobicContact CB-CG1 4.42Å; A1477-I1487 HydrophobicContact CB-CG2 4.03Å; R1478-I1487 HydrophobicContact CG-CD1 3.59Å; I1482-I1487 HydrophobicContact CB-CG1 4.32Å; I1482-I1487 HydrophobicContact CG2-CG1 4.13Å; S1483-I1487 WeakPolarHBondContact O-CG1 3.45Å; S1483-I1487 PolarHBondContact O-N 3.39Å; I1487-A1489 VanDerWaalsContact C-N 3.34Å; I1487-A1489 PolarHBondContact O-N 2.95Å; I1487-A1490 PolarHBondContact O-N 3.23Å; I1487-V1491 HydrophobicContact CG2-CG2 4.11Å; I1487-V1491 WeakPolarHBondContact O-CB 3.47Å; I1487-V1491 WeakPolarHBondContact O-CG2 3.33Å; I1487-V1491 PolarHBondContact O-N 3.31Å
1488K86.5Confident85.2Confident172 Ų17248.6 Ų48.675%0.74824%0.242SC*.Hα-helixtrans-63.4-42.8-177.7-169.7178.9179-175.70111.2E1486 T1492E1486-K1488 VanDerWaalsContact C-N 3.29Å; E1486-K1488 PolarHBondContact O-N 3.49Å; K1488-T1492 PolarHBondContact O-N 2.77Å; K1488-T1492 PolarHBondContact O-OG1 3.15Å; K1488-T1492 VanDerWaalsContact O-OG1 3.08Å
1489A85Confident84.3Confident69 Ų6950.1 Ų50.157%0.5725%0.254SS*.Hα-helixtrans-65.6-45.9177.200000111.4E1486 I1487 V1491 T1492 H1493E1486-A1489 PolarHBondContact O-N 2.57Å; I1487-A1489 VanDerWaalsContact C-N 3.34Å; I1487-A1489 PolarHBondContact O-N 2.95Å; A1489-V1491 PolarHBondContact O-N 3.26Å; A1489-T1492 PolarHBondContact O-N 3.35Å; A1489-H1493 VanDerWaalsContact O-CB 3.31Å; A1489-H1493 WeakPolarHBondContact O-CB 3.25Å; A1489-H1493 PolarHBondContact O-N 2.85Å
1490A84.8Confident83.7Confident15 Ų1550.1 Ų50.112%0.12425%0.254CS..Hα-helixtrans-59.9-45177.400000111.9I1482 E1486 I1487 H1493 T1494 I1545I1482-A1490 HydrophobicContact CD1-CB 4.2Å; E1486-A1490 PolarHBondContact O-N 3.18Å; I1487-A1490 PolarHBondContact O-N 3.23Å; A1490-H1493 PolarHBondContact O-N 3.23Å; A1490-T1494 WeakPolarHBondContact O-CB 3.21Å; A1490-T1494 PolarHBondContact O-N 2.98Å; A1490-T1494 PolarHBondContact O-OG1 2.96Å; A1490-I1545 HydrophobicContact CB-CD1 4.32Å
1491V86.5Confident82.8Confident4 Ų453 Ų532%0.02427%0.273CS..Hα-helixtrans-63.2-47.2178.2170.50000111.3V1470 L1473 I1487 A1489 T1494 M1495 I1545V1470-V1491 HydrophobicContact CG1-CG1 4.27Å; L1473-V1491 HydrophobicContact CB-CB 4.43Å; L1473-V1491 HydrophobicContact CB-CG1 3.92Å; L1473-V1491 HydrophobicContact CB-CG2 3.91Å; L1473-V1491 HydrophobicContact CD1-CG1 4.24Å; I1487-V1491 HydrophobicContact CG2-CG2 4.11Å; I1487-V1491 WeakPolarHBondContact O-CB 3.47Å; I1487-V1491 WeakPolarHBondContact O-CG2 3.33Å; I1487-V1491 PolarHBondContact O-N 3.31Å; A1489-V1491 PolarHBondContact O-N 3.26Å; V1491-T1494 PolarHBondContact O-N 2.85Å; V1491-M1495 HydrophobicContact CG1-CG 4.45Å; V1491-M1495 HydrophobicContact CG1-SD 3.72Å; V1491-M1495 WeakPolarHBondContact O-CB 3.37Å; V1491-M1495 VanDerWaalsContact O-CG 3.22Å; V1491-M1495 WeakPolarHBondContact O-CG 3.43Å; V1491-M1495 PolarHBondContact O-N 2.89Å; V1491-I1545 HydrophobicContact CG2-CD1 4.33Å
1492T84.1Confident81.6Confident64 Ų6461.5 Ų61.539%0.39331%0.309SS..Hα-helixtrans-61.3-47.6178.1-62.30000111.4K1488 A1489 T1494 M1495 E1496K1488-T1492 PolarHBondContact O-N 2.77Å; K1488-T1492 PolarHBondContact O-OG1 3.15Å; K1488-T1492 VanDerWaalsContact O-OG1 3.08Å; A1489-T1492 PolarHBondContact O-N 3.35Å; T1492-T1494 PolarHBondContact O-N 3.36Å; T1492-M1495 PolarHBondContact O-N 3.35Å; T1492-E1496 WeakPolarHBondContact CG2-OE1 3.37Å; T1492-E1496 WeakPolarHBondContact O-CG 3.26Å; T1492-E1496 PolarHBondContact O-N 3.21Å
1493H82.1Confident80.3Confident67 Ų6763.6 Ų63.631%0.3132%0.319SS..Hα-helixtrans-60.2-46178.2178.3-101.3000112.1A1489 A1490 M1495 E1496 M1497A1489-H1493 VanDerWaalsContact O-CB 3.31Å; A1489-H1493 WeakPolarHBondContact O-CB 3.25Å; A1489-H1493 PolarHBondContact O-N 2.85Å; A1490-H1493 PolarHBondContact O-N 3.23Å; H1493-M1495 VanDerWaalsContact C-N 3.33Å; H1493-M1495 PolarHBondContact O-N 2.71Å; H1493-E1496 PolarHBondContact O-N 3Å; H1493-M1497 WeakPolarHBondContact CE1-CE 3.16Å; H1493-M1497 WeakPolarHBondContact O-CB 3.47Å; H1493-M1497 PolarHBondContact O-N 3.3Å
1494T83.4Confident78.8Confident6 Ų663.6 Ų63.64%0.03732%0.32CS..Hα-helixtrans-63.3-39.7176.4-58.60000111.6A1490 V1491 T1492 M1497 V1498 A1541 I1545A1490-T1494 WeakPolarHBondContact O-CB 3.21Å; A1490-T1494 PolarHBondContact O-N 2.98Å; A1490-T1494 PolarHBondContact O-OG1 2.96Å; V1491-T1494 PolarHBondContact O-N 2.85Å; T1492-T1494 PolarHBondContact O-N 3.36Å; T1494-M1497 WeakPolarHBondContact O-CB 3.38Å; T1494-M1497 PolarHBondContact O-N 2.61Å; T1494-V1498 VanDerWaalsContact O-CG2 3.29Å; T1494-V1498 WeakPolarHBondContact O-CG2 3.27Å; T1494-V1498 PolarHBondContact O-N 3.21Å; T1494-A1541 HydrophobicContact CG2-CB 3.76Å; T1494-A1541 WeakPolarHBondContact CG2-O 3.49Å; T1494-I1545 HydrophobicContact CG2-CD1 4.24Å; T1494-I1545 WeakPolarHBondContact OG1-CD1 3.44Å
1495M82.1Confident77.3Confident11 Ų1166.2 Ų66.25%0.05433%0.329CS..Hα-helixtrans-65.9-37.7177.6-74.8172.851.200113.4V1469 V1470 L1473 V1491 T1492 H1493 N1499 L1500 V1501 A1504V1469-M1495 HydrophobicContact CG1-CE 4.33Å; V1469-M1495 HydrophobicContact CG1-CG 3.97Å; V1469-M1495 HydrophobicContact CG1-SD 4.02Å; V1470-M1495 HydrophobicContact CG2-CE 3.9Å; V1470-M1495 HydrophobicContact CG2-SD 3.72Å; L1473-M1495 HydrophobicContact CD1-CG 3.4Å; L1473-M1495 HydrophobicContact CD1-SD 4.13Å; V1491-M1495 HydrophobicContact CG1-CG 4.45Å; V1491-M1495 HydrophobicContact CG1-SD 3.72Å; V1491-M1495 WeakPolarHBondContact O-CB 3.37Å; V1491-M1495 VanDerWaalsContact O-CG 3.22Å; V1491-M1495 WeakPolarHBondContact O-CG 3.43Å; V1491-M1495 PolarHBondContact O-N 2.89Å; T1492-M1495 PolarHBondContact O-N 3.35Å; H1493-M1495 VanDerWaalsContact C-N 3.33Å; H1493-M1495 PolarHBondContact O-N 2.71Å; M1495-N1499 PolarHBondContact O-N 3.02Å; M1495-N1499 VanDerWaalsContact O-N 3.16Å; M1495-L1500 PolarHBondContact O-N 3.18Å; M1495-V1501 HydrophobicContact CB-CG2 4.42Å; M1495-A1504 HydrophobicContact CE-CB 3.31Å
1496E80.5Confident75.8Confident114 Ų11458.6 Ų58.653%0.53330%0.302SS..Hα-helixtrans-63.9-46.8172.5-75.2169.9-176.300110.6T1492 H1493 V1498 N1499 V1501T1492-E1496 WeakPolarHBondContact CG2-OE1 3.37Å; T1492-E1496 WeakPolarHBondContact O-CG 3.26Å; T1492-E1496 PolarHBondContact O-N 3.21Å; H1493-E1496 PolarHBondContact O-N 3Å; E1496-V1498 PolarHBondContact O-N 3.05Å; E1496-N1499 PolarHBondContact O-N 3.31Å; E1496-V1501 HydrophobicContact CB-CG2 4.3Å; E1496-V1501 HydrophobicContact CG-CG2 3.6Å
1497M76.9Confident74.1Confident22 Ų2258.5 Ų58.511%0.10830%0.301CS..Hα-helixtrans-55.8-47178.2-169.8-172-52.300112.2V875 F877 H1493 T1494 N1499 L1544 L1571 V1575V875-M1497 HydrophobicContact CG1-CE 3.77Å; V875-M1497 HydrophobicContact CG1-SD 4.29Å; F877-M1497 HydrophobicContact CE1-CE 3.95Å; F877-M1497 HydrophobicContact CZ-CE 4.01Å; F877-M1497 HydrophobicContact CZ-SD 4.12Å; H1493-M1497 WeakPolarHBondContact CE1-CE 3.16Å; H1493-M1497 WeakPolarHBondContact O-CB 3.47Å; H1493-M1497 PolarHBondContact O-N 3.3Å; T1494-M1497 WeakPolarHBondContact O-CB 3.38Å; T1494-M1497 PolarHBondContact O-N 2.61Å; M1497-N1499 VanDerWaalsContact C-N 3.31Å; M1497-N1499 PolarHBondContact O-N 3.47Å; M1497-L1544 HydrophobicContact SD-CD1 4.11Å; M1497-L1571 HydrophobicContact CG-CD1 4.34Å; M1497-L1571 VanDerWaalsContact O-CD1 3.26Å; M1497-L1571 WeakPolarHBondContact O-CD1 3.26Å; M1497-V1575 HydrophobicContact SD-CG2 4.22Å
1498V78.6Confident72.2Confident4 Ų458 Ų582%0.02430%0.298CS..THydrogen-bonded Turntrans-85.55.6178.5-60.80000114.8T1494 E1496 L1500 K1537 A1541 L1571T1494-V1498 VanDerWaalsContact O-CG2 3.29Å; T1494-V1498 WeakPolarHBondContact O-CG2 3.27Å; T1494-V1498 PolarHBondContact O-N 3.21Å; E1496-V1498 PolarHBondContact O-N 3.05Å; V1498-L1500 VanDerWaalsContact C-N 3.31Å; V1498-L1500 HydrophobicContact CB-CG 4.42Å; V1498-L1500 HydrophobicContact CG2-CB 3.89Å; V1498-L1500 HydrophobicContact CG2-CD1 3.62Å; V1498-L1500 HydrophobicContact CG2-CG 3.57Å; V1498-L1500 PolarHBondContact O-N 3.44Å; V1498-K1537 HydrophobicContact CB-CB 4.44Å; V1498-A1541 HydrophobicContact CB-CB 4.48Å; V1498-A1541 HydrophobicContact CG1-CB 3.92Å; V1498-A1541 HydrophobicContact CG2-CB 3.83Å; V1498-L1571 VanDerWaalsContact CA-CD1 3.48Å; V1498-L1571 HydrophobicContact CB-CD1 3.9Å; V1498-L1571 HydrophobicContact CG1-CD1 3.42Å; V1498-L1571 VanDerWaalsContact CG1-CD1 3.42Å
1499N74.7Confident70.2Confident79 Ų7950.8 Ų50.842%0.42227%0.271SS..THydrogen-bonded Turntrans54.143.3-178.2-163.83.6000113.2M1495 E1496 M1497M1495-N1499 PolarHBondContact O-N 3.02Å; M1495-N1499 VanDerWaalsContact O-N 3.16Å; E1496-N1499 PolarHBondContact O-N 3.31Å; M1497-N1499 VanDerWaalsContact C-N 3.31Å; M1497-N1499 PolarHBondContact O-N 3.47Å
1500L76.3Confident67.9Low0 Ų050.6 Ų50.60%026%0.263CS..  trans-1031.3177.3-73.6-175.9000113.9V1469 M1495 V1498 K1502 H1503 A1504 F1530 N1534 K1537 L1538V1469-L1500 HydrophobicContact CG1-CB 4.42Å; V1469-L1500 HydrophobicContact CG1-CD1 4.15Å; M1495-L1500 PolarHBondContact O-N 3.18Å; V1498-L1500 VanDerWaalsContact C-N 3.31Å; V1498-L1500 HydrophobicContact CB-CG 4.42Å; V1498-L1500 HydrophobicContact CG2-CB 3.89Å; V1498-L1500 HydrophobicContact CG2-CD1 3.62Å; V1498-L1500 HydrophobicContact CG2-CG 3.57Å; V1498-L1500 PolarHBondContact O-N 3.44Å; L1500-K1502 VanDerWaalsContact C-N 3.31Å; L1500-K1502 PolarHBondContact O-N 3.3Å; L1500-H1503 CarbonylContact O-C 3.59Å; L1500-H1503 WeakPolarHBondContact O-CA 3.37Å; L1500-H1503 PolarHBondContact O-N 2.99Å; L1500-A1504 PolarHBondContact O-N 3.27Å; L1500-A1504 VanDerWaalsContact O-N 3.14Å; L1500-F1530 HydrophobicContact CD1-CZ 4.42Å; L1500-F1530 HydrophobicContact CD2-CE1 4.28Å; L1500-F1530 HydrophobicContact CD2-CZ 3.91Å; L1500-N1534 HydrophobicContact CD2-CB 4.36Å; L1500-K1537 HydrophobicContact CD1-CB 4.19Å; L1500-K1537 HydrophobicContact CD2-CB 4.05Å; L1500-K1537 HydrophobicContact CD2-CD 4.33Å; L1500-K1537 HydrophobicContact CG-CB 4.14Å; L1500-L1538 HydrophobicContact CD1-CB 3.98Å; L1500-L1538 HydrophobicContact CD1-CD1 4.29Å
1501V69Low65.5Low75 Ų7553.9 Ų53.946%0.45528%0.278SS..G310 helixtrans-54.1-44.1-178.8-175.20000112.2M1495 E1496 H1503 A1504M1495-V1501 HydrophobicContact CB-CG2 4.42Å; E1496-V1501 HydrophobicContact CB-CG2 4.3Å; E1496-V1501 HydrophobicContact CG-CG2 3.6Å; V1501-H1503 PolarHBondContact O-N 3.06Å; V1501-A1504 VanDerWaalsContact O-CB 3.31Å; V1501-A1504 WeakPolarHBondContact O-CB 3.24Å; V1501-A1504 PolarHBondContact O-N 3.2Å; V1501-A1504 VanDerWaalsContact O-N 3.17Å
1502K63Low63.1Low178 Ų17862 Ų6277%0.77431%0.308SS*.G310 helixtrans-63.7-12.1176.3-61.5-175.4-177.8-178.90114.1L1500L1500-K1502 VanDerWaalsContact C-N 3.31Å; L1500-K1502 PolarHBondContact O-N 3.3Å
1503H62.5Low60.6Low44 Ų4467.4 Ų67.420%0.20432%0.321CS..G310 helixtrans-118.710.2-177.4-60.883.5000112.6L1500 V1501 D1505 K1506 F1530 N1534L1500-H1503 CarbonylContact O-C 3.59Å; L1500-H1503 WeakPolarHBondContact O-CA 3.37Å; L1500-H1503 PolarHBondContact O-N 2.99Å; V1501-H1503 PolarHBondContact O-N 3.06Å; H1503-D1505 PolarHBondContact O-N 3.08Å; H1503-K1506 HydrophobicContact CB-CD 4.12Å; H1503-K1506 PolarHBondContact CD2-NZ 3.26Å; H1503-K1506 PolarHBondContact NE2-NZ 2.75Å; H1503-K1506 WeakPolarHBondContact O-CB 3.33Å; H1503-K1506 PolarHBondContact O-N 2.76Å; H1503-K1506 VanDerWaalsContact O-N 3.09Å; H1503-F1530 HydrophobicContact CB-CE2 3.79Å; H1503-F1530 HydrophobicContact CB-CZ 4.2Å; H1503-N1534 PolarHBondContact NE2-ND2 3.12Å
1504A55.4Low58.2Low17 Ų1766.4 Ų66.414%0.1433%0.329CS..THydrogen-bonded Turntrans-48.3-51.8-173.400000114.4V1470 M1495 L1500 V1501 K1506V1470-A1504 HydrophobicContact CG2-CB 4.2Å; M1495-A1504 HydrophobicContact CE-CB 3.31Å; L1500-A1504 PolarHBondContact O-N 3.27Å; L1500-A1504 VanDerWaalsContact O-N 3.14Å; V1501-A1504 VanDerWaalsContact O-CB 3.31Å; V1501-A1504 WeakPolarHBondContact O-CB 3.24Å; V1501-A1504 PolarHBondContact O-N 3.2Å; V1501-A1504 VanDerWaalsContact O-N 3.17Å; A1504-K1506 VanDerWaalsContact C-N 3.33Å
1505D54Low56Low142 Ų14272.6 Ų72.676%0.75936%0.356SS*.THydrogen-bonded Turntrans-90.23-174.4-57.8-40.2000113.3H1503H1503-D1505 PolarHBondContact O-N 3.08Å
1506K53Low53.6Low74 Ų7476.6 Ų76.632%0.32238%0.377SS..  trans-79.5136179.1-64.9180-176.4176.20110H1503 A1504 F1530H1503-K1506 HydrophobicContact CB-CD 4.12Å; H1503-K1506 PolarHBondContact CD2-NZ 3.26Å; H1503-K1506 PolarHBondContact NE2-NZ 2.75Å; H1503-K1506 WeakPolarHBondContact O-CB 3.33Å; H1503-K1506 PolarHBondContact O-N 2.76Å; H1503-K1506 VanDerWaalsContact O-N 3.09Å; A1504-K1506 VanDerWaalsContact C-N 3.33Å; K1506-F1530 HydrophobicContact CB-CD2 4.34Å; K1506-F1530 HydrophobicContact CB-CE2 4.3Å
1507K50.4Low51.4Low58 Ų5874.9 Ų74.925%0.25238%0.382SS..BIsolated β-bridgetrans-72.6145.9171.5-65.4-178.9179-179.70110.4T1468 A1509 V1510 I1527T1468-K1507 HydrophobicContact CG2-CG 4.27Å; K1507-A1509 PolarHBondContact O-N 3.02Å; K1507-V1510 HydrophobicContact CB-CG2 4.3Å; K1507-V1510 HydrophobicContact CD-CG2 4.24Å; K1507-I1527 HydrophobicContact CD-CD1 4.42Å
1508V47.3Very low49.3Very low2 Ų282 Ų821%0.01242%0.419CS..SBendtrans-66.2-37.4-179175.70000112.3L1463 D1465 L1467 K1535 L1538L1463-V1508 HydrophobicContact CB-CG1 3.95Å; L1463-V1508 HydrophobicContact CD1-CG1 3.96Å; D1465-V1508 PolarHBondContact O-N 3.02Å; L1467-V1508 WeakPolarHBondContact O-CG2 3.13Å; L1467-V1508 PolarHBondContact O-N 3.37Å; L1467-V1508 VanDerWaalsContact O-N 3.15Å; V1508-K1535 HydrophobicContact CG1-CD 4.46Å; V1508-K1535 HydrophobicContact CG1-CG 4.42Å; V1508-K1535 WeakPolarHBondContact O-CE 3.29Å; V1508-L1538 HydrophobicContact CG2-CD2 3.52Å
1509A44.7Very low47.1Very low22 Ų2288.6 Ų88.618%0.18245%0.454CS..  trans-154.3138.7165.800000111.3D1465 K1507D1465-A1509 CarbonylContact C-O 3.26Å; D1465-A1509 HydrophobicContact CB-CB 3.81Å; D1465-A1509 PolarHBondContact O-N 3Å; D1465-A1509 WeakPolarHBondContact OD1-CB 3.37Å; K1507-A1509 PolarHBondContact O-N 3.02Å
1510V37Very low44.9Very low65 Ų6589.5 Ų89.539%0.39447%0.465SS..  trans-93.3123.7174.8176.80000109.5K1507 R1512 I1527K1507-V1510 HydrophobicContact CB-CG2 4.3Å; K1507-V1510 HydrophobicContact CD-CG2 4.24Å; V1510-R1512 PolarHBondContact O-N 3.48Å; V1510-I1527 HydrophobicContact CG2-CB 3.96Å; V1510-I1527 HydrophobicContact CG2-CD1 3.92Å; V1510-I1527 HydrophobicContact CG2-CG2 3.9Å
1511L35.2Very low42.6Very low84 Ų84100.2 Ų100.244%0.4451%0.512SS..  trans-52.4111.5163.7-132.4131.6000107.5R1513L1511-R1513 PolarHBondContact O-N 3.49Å
1512R35.3Very low40.7Very low174 Ų174100.5 Ų100.566%0.65752%0.523SS*.  trans-43.7113.5171.7-100.7176.8164.9164.4-6.9107V1510 G1514V1510-R1512 PolarHBondContact O-N 3.48Å; R1512-G1514 PolarHBondContact O-N 2.83Å
1513R32.1Very low38.8Very low178 Ų178100.5 Ų100.567%0.67252%0.523SS*.  trans-6088.9174.2-78.4179.9175.5157.1-4.9107.8L1511 K1523L1511-R1513 PolarHBondContact O-N 3.49Å; R1513-K1523 PolarHBondContact NH1-O 2.9Å
1514G31.9Very low37.1Very low45 Ų45105.6 Ų105.646%0.46455%0.55SS.*  trans-84.9137170.900000109.4R1512 L1516R1512-G1514 PolarHBondContact O-N 2.83Å; G1514-L1516 PolarHBondContact O-N 3.33Å
1515F35.9Very low35.7Very low137 Ų137110.4 Ų110.460%0.60157%0.572SS**SBendtrans86.9-50.4161.7-150-114.5000119.7F378F378-F1515 HydrophobicContact CZ-CD2 4.46Å
1516L31.6Very low34.2Very low94 Ų94107 Ų10749%0.49256%0.559SS.*G310 helixtrans-997.2-171.5-113.6118.4000117.9G1514 L1518 L1519G1514-L1516 PolarHBondContact O-N 3.33Å; L1516-L1518 PolarHBondContact O-N 2.86Å; L1516-L1518 VanDerWaalsContact O-N 3.08Å; L1516-L1519 HydrophobicContact CD2-CB 4.49Å; L1516-L1519 PolarHBondContact O-N 3.17Å
1517A35Very low33Very low78 Ų78106 Ų10665%0.64556%0.557SS**G310 helixtrans-67.1-5.7174.800000114
1518L33.1Very low32.2Very low171 Ų171106.7 Ų106.790%0.89557%0.568SS**G310 helixtrans-81-13.6176-129.9132.7000113.3L1516L1516-L1518 PolarHBondContact O-N 2.86Å; L1516-L1518 VanDerWaalsContact O-N 3.08Å
1519L32.5Very low32Very low144 Ų144115.8 Ų115.875%0.75460%0.604SS**SBendtrans-118.2-0.1-178.8-81.3165.8000115.4L1516L1516-L1519 HydrophobicContact CD2-CB 4.49Å; L1516-L1519 PolarHBondContact O-N 3.17Å
1520C27.1Very low32.3Very low98 Ų98115.1 Ų115.166%0.66260%0.597SS**  trans-134.6100.3179-84.70000112.5A1522C1520-A1522 PolarHBondContact O-N 2.86Å
1521F28.9Very low33.3Very low224 Ų224113.9 Ų113.998%0.98259%0.591SS**  trans-62.391.7159.3-83.6-92.3000109.9
1522A28.4Very low34.8Very low82 Ų82111.7 Ų111.768%0.67859%0.589SS**  trans-173126157.700000113.8C1520C1520-A1522 PolarHBondContact O-N 2.86Å
1523K23.8Very low36.3Very low177 Ų177103.4 Ų103.477%0.7756%0.557SS**  trans5679.3155.8-115.1169.1179.8170.20116.1R1513 I1525R1513-K1523 PolarHBondContact NH1-O 2.9Å; K1523-I1525 PolarHBondContact O-N 3.03Å
1524I26.7Very low38.5Very low152 Ų15295.7 Ų95.778%0.77953%0.529SS*.  trans-75.993.9151.6-62.3170.7000106.2S1526I1524-S1526 PolarHBondContact O-N 2.97Å; I1524-S1526 VanDerWaalsContact O-N 3.14Å
1525I25Very low40.7Very low117 Ų11795.9 Ų95.960%0.652%0.518SS*.  trans-64.6113157.9-57.6174.6000104.4K1523 I1527K1523-I1525 PolarHBondContact O-N 3.03Å; I1525-I1527 HydrophobicContact CB-CD1 4.24Å; I1525-I1527 HydrophobicContact CB-CG1 3.89Å; I1525-I1527 HydrophobicContact CG2-CD1 4.07Å; I1525-I1527 HydrophobicContact CG2-CG1 3.39Å; I1525-I1527 PolarHBondContact O-N 3.41Å
1526S23.4Very low43Very low71 Ų7189.9 Ų89.950%0.49749%0.491SS..  trans-6483.6168.7-172.40000107.8I1524 C1528I1524-S1526 PolarHBondContact O-N 2.97Å; I1524-S1526 VanDerWaalsContact O-N 3.14Å; S1526-C1528 PolarHBondContact O-N 3.37Å
1527I28.1Very low45.5Very low54 Ų5486.1 Ų86.128%0.27747%0.47SS..  trans-88.497.5177.7-57.6174.1000106.5K1507 V1510 I1525 Y1529K1507-I1527 HydrophobicContact CD-CD1 4.42Å; V1510-I1527 HydrophobicContact CG2-CB 3.96Å; V1510-I1527 HydrophobicContact CG2-CD1 3.92Å; V1510-I1527 HydrophobicContact CG2-CG2 3.9Å; I1525-I1527 HydrophobicContact CB-CD1 4.24Å; I1525-I1527 HydrophobicContact CB-CG1 3.89Å; I1525-I1527 HydrophobicContact CG2-CD1 4.07Å; I1525-I1527 HydrophobicContact CG2-CG1 3.39Å; I1525-I1527 PolarHBondContact O-N 3.41Å; I1527-Y1529 PolarHBondContact O-N 2.76Å
1528C32.8Very low47.9Very low71 Ų7182.4 Ų82.448%0.4844%0.44SS..  trans-57.5132.4170.8-61.60000110.3S1526 F1530S1526-C1528 PolarHBondContact O-N 3.37Å; C1528-F1530 PolarHBondContact O-N 3.48Å
1529Y42.8Very low50.5Low193 Ų19374.5 Ų74.576%0.75740%0.399SS*.  trans-45.8135.6174.1-58.2-90.4000111.3I1527 S1531I1527-Y1529 PolarHBondContact O-N 2.76Å; Y1529-S1531 PolarHBondContact O-N 3.31Å; Y1529-S1531 VanDerWaalsContact O-N 3.14Å
1530F51.8Low53.1Low8 Ų867.8 Ų67.84%0.03536%0.364CS..  trans-60.2117.8162.1-130-115.5000107V1469 L1500 H1503 K1506 C1528 N1534 K1535 L1538V1469-F1530 HydrophobicContact CG2-CE1 4.4Å; V1469-F1530 HydrophobicContact CG2-CE2 3.7Å; V1469-F1530 HydrophobicContact CG2-CZ 3.41Å; V1469-F1530 VanDerWaalsContact CG2-CZ 3.41Å; L1500-F1530 HydrophobicContact CD1-CZ 4.42Å; L1500-F1530 HydrophobicContact CD2-CE1 4.28Å; L1500-F1530 HydrophobicContact CD2-CZ 3.91Å; H1503-F1530 HydrophobicContact CB-CE2 3.79Å; H1503-F1530 HydrophobicContact CB-CZ 4.2Å; K1506-F1530 HydrophobicContact CB-CD2 4.34Å; K1506-F1530 HydrophobicContact CB-CE2 4.3Å; C1528-F1530 PolarHBondContact O-N 3.48Å; F1530-N1534 HydrophobicContact CD1-CB 3.43Å; F1530-N1534 VanDerWaalsContact CD1-CB 3.43Å; F1530-N1534 HydrophobicContact CE1-CB 3.48Å; F1530-N1534 VanDerWaalsContact CE1-CB 3.48Å; F1530-N1534 WeakPolarHBondContact CE1-O 3.47Å; F1530-N1534 HydrophobicContact CG-CB 3.98Å; F1530-N1534 HydrophobicContact CZ-CB 4.03Å; F1530-K1535 HydrophobicContact CB-CG 3.92Å; F1530-K1535 HydrophobicContact CD1-CB 4.28Å; F1530-K1535 HydrophobicContact CD1-CG 3.71Å; F1530-K1535 VanDerWaalsContact CD1-N 3.26Å; F1530-K1535 HydrophobicContact CG-CG 4.31Å; F1530-L1538 HydrophobicContact CE1-CB 4.12Å; F1530-L1538 HydrophobicContact CE1-CD2 4.48Å
1531S58.9Low56Low39 Ų3963.1 Ų63.127%0.27333%0.332SS..  trans-59.8155.3173.964.10000109.7Y1529 G1533 N1534 K1535Y1529-S1531 PolarHBondContact O-N 3.31Å; Y1529-S1531 VanDerWaalsContact O-N 3.14Å; S1531-G1533 PolarHBondContact O-N 2.83Å; S1531-N1534 PolarHBondContact O-N 3.31Å; S1531-N1534 PolarHBondContact OG-N 3.11Å; S1531-N1534 PolarHBondContact OG-ND2 3.36Å; S1531-K1535 PolarHBondContact O-N 3.19Å
1532G64.6Low58.9Low38 Ų3852.6 Ų52.639%0.39229%0.286SS..Hα-helixtrans-52.4-42.7175.100000111.9N1534 K1535 R1536G1532-N1534 PolarHBondContact O-N 3.48Å; G1532-K1535 PolarHBondContact O-N 2.84Å; G1532-K1535 VanDerWaalsContact O-N 3.17Å; G1532-R1536 WeakPolarHBondContact O-CB 3.12Å; G1532-R1536 PolarHBondContact O-N 2.92Å
1533G68.9Low61.8Low0 Ų048.8 Ų48.80%026%0.255CS..Hα-helixtrans-59.4-40.2174.500000114.2S1531 R1536 K1537S1531-G1533 PolarHBondContact O-N 2.83Å; G1533-R1536 PolarHBondContact O-N 3.13Å; G1533-K1537 WeakPolarHBondContact O-CG 3.34Å; G1533-K1537 PolarHBondContact O-N 2.92Å
1534N76.8Confident64.9Low16 Ų1640.4 Ų40.49%0.08622%0.219CC..Hα-helixtrans-70.3-38.8175.5-72.4-19.2000111.5L1500 H1503 F1530 S1531 G1532 R1536 K1537 L1538L1500-N1534 HydrophobicContact CD2-CB 4.36Å; H1503-N1534 PolarHBondContact NE2-ND2 3.12Å; F1530-N1534 HydrophobicContact CD1-CB 3.43Å; F1530-N1534 VanDerWaalsContact CD1-CB 3.43Å; F1530-N1534 HydrophobicContact CE1-CB 3.48Å; F1530-N1534 VanDerWaalsContact CE1-CB 3.48Å; F1530-N1534 WeakPolarHBondContact CE1-O 3.47Å; F1530-N1534 HydrophobicContact CG-CB 3.98Å; F1530-N1534 HydrophobicContact CZ-CB 4.03Å; S1531-N1534 PolarHBondContact O-N 3.31Å; S1531-N1534 PolarHBondContact OG-N 3.11Å; S1531-N1534 PolarHBondContact OG-ND2 3.36Å; G1532-N1534 PolarHBondContact O-N 3.48Å; N1534-R1536 PolarHBondContact O-N 2.9Å; N1534-K1537 WeakPolarHBondContact O-CB 3.41Å; N1534-K1537 PolarHBondContact O-N 3.04Å; N1534-K1537 VanDerWaalsContact O-N 3.16Å; N1534-L1538 PolarHBondContact O-N 2.03Å
1535K79.5Confident67.8Low50 Ų5033.3 Ų33.322%0.21718%0.182CC..Hα-helixtrans-60.4-40.1176.4-69.3-172.4179.3-169.70110.5D1461 L1463 V1508 F1530 S1531 G1532 L1538 S1539D1461-K1535 HydrophobicContact CB-CB 4.38Å; D1461-K1535 WeakPolarHBondContact OD2-CB 3.38Å; L1463-K1535 HydrophobicContact CD1-CB 3.91Å; L1463-K1535 HydrophobicContact CD1-CG 4.28Å; V1508-K1535 HydrophobicContact CG1-CD 4.46Å; V1508-K1535 HydrophobicContact CG1-CG 4.42Å; V1508-K1535 WeakPolarHBondContact O-CE 3.29Å; F1530-K1535 HydrophobicContact CB-CG 3.92Å; F1530-K1535 HydrophobicContact CD1-CB 4.28Å; F1530-K1535 HydrophobicContact CD1-CG 3.71Å; F1530-K1535 VanDerWaalsContact CD1-N 3.26Å; F1530-K1535 HydrophobicContact CG-CG 4.31Å; S1531-K1535 PolarHBondContact O-N 3.19Å; G1532-K1535 PolarHBondContact O-N 2.84Å; G1532-K1535 VanDerWaalsContact O-N 3.17Å; K1535-L1538 WeakPolarHBondContact O-CB 3.41Å; K1535-L1538 PolarHBondContact O-N 2.87Å; K1535-L1538 VanDerWaalsContact O-N 3.1Å; K1535-S1539 PolarHBondContact O-N 3.13Å; K1535-S1539 PolarHBondContact O-OG 2.91Å
1536R83.1Confident70.5Confident11 Ų1127.8 Ų27.84%0.04215%0.154CC..Hα-helixtrans-62.7-43.4175-157.153.8146.5-177.1-1.9113.3P1458 Q1459 D1461 G1532 G1533 N1534 L1538 S1539 L1540 D1554 E1555 P1556 V1560 I1568P1458-R1536 PolarHBondContact O-NH1 3.14Å; Q1459-R1536 PolarHBondContact O-NH1 3.15Å; Q1459-R1536 PolarHBondContact O-NH2 2.96Å; D1461-R1536 IonicContact OD1-NH1 2.76Å; G1532-R1536 WeakPolarHBondContact O-CB 3.12Å; G1532-R1536 PolarHBondContact O-N 2.92Å; G1533-R1536 PolarHBondContact O-N 3.13Å; N1534-R1536 PolarHBondContact O-N 2.9Å; R1536-L1538 VanDerWaalsContact C-N 3.26Å; R1536-L1538 PolarHBondContact O-N 2.8Å; R1536-S1539 WeakPolarHBondContact O-CB 3.41Å; R1536-S1539 PolarHBondContact O-N 3.12Å; R1536-L1540 WeakPolarHBondContact O-CB 3.41Å; R1536-L1540 PolarHBondContact O-N 3.43Å; R1536-D1554 PolarHBondContact NH2-O 3.46Å; R1536-E1555 PolarHBondContact NH2-O 3.46Å; R1536-P1556 WeakPolarHBondContact CD-O 3.13Å; R1536-P1556 WeakPolarHBondContact CG-O 2.99Å; R1536-P1556 PolarHBondContact NE-O 3.21Å; R1536-V1560 HydrophobicContact CB-CG2 3.93Å; R1536-V1560 HydrophobicContact CG-CG2 3.88Å; R1536-I1568 HydrophobicContact CB-CD1 4.34Å; R1536-I1568 HydrophobicContact CG-CD1 4.1Å
1537K84Confident73.3Confident14 Ų1426 Ų266%0.06114%0.142CC..Hα-helixtrans-59.3-36.5171.8-70.5171.1-175.61750112.2V1498 L1500 G1533 N1534 A1541 I1568V1498-K1537 HydrophobicContact CB-CB 4.44Å; L1500-K1537 HydrophobicContact CD1-CB 4.19Å; L1500-K1537 HydrophobicContact CD2-CB 4.05Å; L1500-K1537 HydrophobicContact CD2-CD 4.33Å; L1500-K1537 HydrophobicContact CG-CB 4.14Å; G1533-K1537 WeakPolarHBondContact O-CG 3.34Å; G1533-K1537 PolarHBondContact O-N 2.92Å; N1534-K1537 WeakPolarHBondContact O-CB 3.41Å; N1534-K1537 PolarHBondContact O-N 3.04Å; N1534-K1537 VanDerWaalsContact O-N 3.16Å; K1537-A1541 WeakPolarHBondContact O-CB 3.48Å; K1537-A1541 PolarHBondContact O-N 2.84Å; K1537-I1568 HydrophobicContact CG-CG1 4.22Å
1538L86Confident76.1Confident0 Ų023.7 Ų23.70%013%0.13CC..Hα-helixtrans-70.7-42.1175.4-178.858.3000112L1463 V1469 L1473 L1500 V1508 F1530 N1534 K1535 R1536 L1540 A1541 I1542L1463-L1538 HydrophobicContact CD1-CB 4.31Å; L1463-L1538 HydrophobicContact CD1-CD2 4.04Å; L1463-L1538 HydrophobicContact CD1-CG 4.34Å; L1463-L1538 HydrophobicContact CD2-CB 4.47Å; L1463-L1538 HydrophobicContact CD2-CD2 3.89Å; L1463-L1538 HydrophobicContact CD2-CG 3.82Å; V1469-L1538 HydrophobicContact CB-CD1 4.43Å; V1469-L1538 HydrophobicContact CG1-CD1 3.91Å; V1469-L1538 HydrophobicContact CG2-CD1 4.48Å; V1469-L1538 HydrophobicContact CG2-CD2 4.32Å; L1473-L1538 HydrophobicContact CD2-CD1 4.19Å; L1473-L1538 HydrophobicContact CG-CD1 4.14Å; L1500-L1538 HydrophobicContact CD1-CB 3.98Å; L1500-L1538 HydrophobicContact CD1-CD1 4.29Å; V1508-L1538 HydrophobicContact CG2-CD2 3.52Å; F1530-L1538 HydrophobicContact CE1-CB 4.12Å; F1530-L1538 HydrophobicContact CE1-CD2 4.48Å; N1534-L1538 PolarHBondContact O-N 2.03Å; K1535-L1538 WeakPolarHBondContact O-CB 3.41Å; K1535-L1538 PolarHBondContact O-N 2.87Å; K1535-L1538 VanDerWaalsContact O-N 3.1Å; R1536-L1538 VanDerWaalsContact C-N 3.26Å; R1536-L1538 PolarHBondContact O-N 2.8Å; L1538-L1540 VanDerWaalsContact C-N 3.25Å; L1538-L1540 PolarHBondContact O-N 2.92Å; L1538-A1541 HydrophobicContact CD1-CB 4.42Å; L1538-A1541 WeakPolarHBondContact O-CB 3.27Å; L1538-A1541 PolarHBondContact O-N 3.31Å; L1538-A1541 VanDerWaalsContact O-N 3.15Å; L1538-I1542 HydrophobicContact CG-CD1 4.42Å; L1538-I1542 WeakPolarHBondContact O-CG1 3.28Å; L1538-I1542 PolarHBondContact O-N 3.07Å
1539S87.2Confident78.7Confident5 Ų522.8 Ų22.84%0.03512%0.123CC..Hα-helixtrans-57.8-41.4173.3-61.50000111.1D1461 K1535 R1536 I1542 A1543D1461-S1539 PolarHBondContact OD1-OG 3Å; K1535-S1539 PolarHBondContact O-N 3.13Å; K1535-S1539 PolarHBondContact O-OG 2.91Å; R1536-S1539 WeakPolarHBondContact O-CB 3.41Å; R1536-S1539 PolarHBondContact O-N 3.12Å; S1539-I1542 PolarHBondContact O-N 3.14Å; S1539-A1543 PolarHBondContact O-N 3.05Å; S1539-A1543 VanDerWaalsContact O-N 3.14Å
1540L88.2Confident81Confident4 Ų413.6 Ų13.62%0.0219%0.087CC..Hα-helixtrans-66.9-40.4174.4-171.258.4000112.4R1536 L1538 I1542 A1543 L1544 L1551 L1553 I1568 L1571 L1572R1536-L1540 WeakPolarHBondContact O-CB 3.41Å; R1536-L1540 PolarHBondContact O-N 3.43Å; L1538-L1540 VanDerWaalsContact C-N 3.25Å; L1538-L1540 PolarHBondContact O-N 2.92Å; L1540-I1542 VanDerWaalsContact C-N 3.31Å; L1540-I1542 PolarHBondContact O-N 3.16Å; L1540-A1543 PolarHBondContact O-N 3.18Å; L1540-L1544 HydrophobicContact CD1-CD1 4.38Å; L1540-L1544 HydrophobicContact CG-CD1 4.09Å; L1540-L1544 WeakPolarHBondContact O-CG 3.47Å; L1540-L1544 PolarHBondContact O-N 3.41Å; L1540-L1544 VanDerWaalsContact O-N 3.09Å; L1540-L1551 HydrophobicContact CD1-CD2 4.44Å; L1540-L1553 HydrophobicContact CD1-CD2 3.64Å; L1540-I1568 HydrophobicContact CD2-CG2 4.06Å; L1540-L1571 HydrophobicContact CD2-CD1 4.35Å; L1540-L1571 HydrophobicContact CD2-CD2 3.42Å; L1540-L1571 VanDerWaalsContact CD2-CD2 3.42Å; L1540-L1571 HydrophobicContact CD2-CG 4.44Å; L1540-L1571 HydrophobicContact CG-CD2 4.06Å; L1540-L1572 HydrophobicContact CD1-CD2 3.91Å; L1540-L1572 HydrophobicContact CD2-CD2 4.18Å
1541A87.9Confident82.9Confident0 Ų013.2 Ų13.20%09%0.085CC..Hα-helixtrans-59.4-40.8174.200000112.3L1473 T1494 V1498 K1537 L1538 A1543 L1544 I1545L1473-A1541 HydrophobicContact CD1-CB 4.34Å; L1473-A1541 HydrophobicContact CD2-CB 3.64Å; T1494-A1541 HydrophobicContact CG2-CB 3.76Å; T1494-A1541 WeakPolarHBondContact CG2-O 3.49Å; V1498-A1541 HydrophobicContact CB-CB 4.48Å; V1498-A1541 HydrophobicContact CG1-CB 3.92Å; V1498-A1541 HydrophobicContact CG2-CB 3.83Å; K1537-A1541 WeakPolarHBondContact O-CB 3.48Å; K1537-A1541 PolarHBondContact O-N 2.84Å; L1538-A1541 HydrophobicContact CD1-CB 4.42Å; L1538-A1541 WeakPolarHBondContact O-CB 3.27Å; L1538-A1541 PolarHBondContact O-N 3.31Å; L1538-A1541 VanDerWaalsContact O-N 3.15Å; A1541-A1543 VanDerWaalsContact C-N 3.34Å; A1541-L1544 PolarHBondContact O-N 3.43Å; A1541-I1545 PolarHBondContact O-N 3.35Å
1542I89Confident84.5Confident2 Ų211.4 Ų11.41%0.017%0.073CC..Hα-helixtrans-63.8-41.7175.5-65.9162.6000110.9L1118 L1463 T1472 L1473 Y1476 L1538 S1539 L1540 L1544 I1545L1118-I1542 HydrophobicContact CD2-CG2 3.96Å; L1118-I1542 HydrophobicContact CG-CG2 4.47Å; L1463-I1542 HydrophobicContact CD2-CD1 3.29Å; T1472-I1542 HydrophobicContact CG2-CD1 3.66Å; T1472-I1542 HydrophobicContact CG2-CG1 4.12Å; L1473-I1542 HydrophobicContact CD2-CG1 4.15Å; Y1476-I1542 HydrophobicContact CD1-CG2 3.76Å; Y1476-I1542 HydrophobicContact CD2-CB 4.23Å; Y1476-I1542 HydrophobicContact CD2-CD1 3.91Å; Y1476-I1542 HydrophobicContact CD2-CG1 3.69Å; Y1476-I1542 HydrophobicContact CD2-CG2 3.52Å; Y1476-I1542 HydrophobicContact CE1-CG2 4.02Å; Y1476-I1542 HydrophobicContact CE2-CD1 3.67Å; Y1476-I1542 HydrophobicContact CE2-CG1 3.99Å; Y1476-I1542 HydrophobicContact CE2-CG2 3.78Å; Y1476-I1542 HydrophobicContact CG-CG1 4.41Å; Y1476-I1542 HydrophobicContact CG-CG2 3.51Å; L1538-I1542 HydrophobicContact CG-CD1 4.42Å; L1538-I1542 WeakPolarHBondContact O-CG1 3.28Å; L1538-I1542 PolarHBondContact O-N 3.07Å; S1539-I1542 PolarHBondContact O-N 3.14Å; L1540-I1542 VanDerWaalsContact C-N 3.31Å; L1540-I1542 PolarHBondContact O-N 3.16Å; I1542-L1544 PolarHBondContact O-N 3.22Å; I1542-I1545 WeakPolarHBondContact O-CG2 3.49Å
1543A89.1Confident85.8Confident3 Ų39.6 Ų9.63%0.0255%0.054CC..Hα-helixtrans-65.2-27.4177.800000112.6G1455 C1457 S1539 L1540 A1541 P1548 L1551G1455-A1543 WeakPolarHBondContact CA-O 3.47Å; C1457-A1543 HydrophobicContact CB-CB 4.13Å; S1539-A1543 PolarHBondContact O-N 3.05Å; S1539-A1543 VanDerWaalsContact O-N 3.14Å; L1540-A1543 PolarHBondContact O-N 3.18Å; A1541-A1543 VanDerWaalsContact C-N 3.34Å; A1543-P1548 WeakPolarHBondContact O-CG 3.47Å; A1543-L1551 HydrophobicContact CB-CD1 3.64Å
1544L88.7Confident86.8Confident1 Ų19.9 Ų9.91%0.0056%0.056CC..Hα-helixtrans-94.8-23.2-176.2-67.3171.6000114.9F877 M1497 L1540 A1541 I1542 G1546 S1547 L1551 L1571 V1575F877-L1544 HydrophobicContact CZ-CD2 4.28Å; M1497-L1544 HydrophobicContact SD-CD1 4.11Å; L1540-L1544 HydrophobicContact CD1-CD1 4.38Å; L1540-L1544 HydrophobicContact CG-CD1 4.09Å; L1540-L1544 WeakPolarHBondContact O-CG 3.47Å; L1540-L1544 PolarHBondContact O-N 3.41Å; L1540-L1544 VanDerWaalsContact O-N 3.09Å; A1541-L1544 PolarHBondContact O-N 3.43Å; I1542-L1544 PolarHBondContact O-N 3.22Å; L1544-G1546 PolarHBondContact O-N 3.43Å; L1544-G1546 VanDerWaalsContact O-N 3.1Å; L1544-S1547 PolarHBondContact O-N 3.45Å; L1544-L1551 HydrophobicContact CD2-CD1 4.17Å; L1544-L1551 HydrophobicContact CD2-CD2 3.87Å; L1544-L1571 HydrophobicContact CD1-CD2 3.91Å; L1544-V1575 HydrophobicContact CD1-CG2 3.97Å; L1544-V1575 HydrophobicContact CD2-CG1 3.86Å; L1544-V1575 HydrophobicContact CD2-CG2 4Å
1545I87.5Confident87.2Confident2 Ų29.1 Ų9.11%0.015%0.052CC..THydrogen-bonded Turntrans-55.1-35.5-170.8-165.763.3000113.3A1477 I1482 A1490 V1491 T1494 A1541 I1542 S1547A1477-I1545 HydrophobicContact CB-CG1 3.94Å; I1482-I1545 HydrophobicContact CD1-CG1 4.33Å; I1482-I1545 WeakPolarHBondContact CD1-O 3.34Å; A1490-I1545 HydrophobicContact CB-CD1 4.32Å; V1491-I1545 HydrophobicContact CG2-CD1 4.33Å; T1494-I1545 HydrophobicContact CG2-CD1 4.24Å; T1494-I1545 WeakPolarHBondContact OG1-CD1 3.44Å; A1541-I1545 PolarHBondContact O-N 3.35Å; I1542-I1545 WeakPolarHBondContact O-CG2 3.49Å; I1545-S1547 PolarHBondContact O-N 2.82Å
1546G81.8Confident87.5Confident1 Ų16.9 Ų6.91%0.014%0.042CC..THydrogen-bonded Turntrans-78.53.5-178.600000115.6K882 L1544K882-G1546 WeakPolarHBondContact CE-O 3.33Å; K882-G1546 PolarHBondContact NZ-O 3.49Å; L1544-G1546 PolarHBondContact O-N 3.43Å; L1544-G1546 VanDerWaalsContact O-N 3.1Å
1547S83.2Confident87.4Confident34 Ų346.6 Ų6.624%0.2384%0.042CC..  trans4858.8-170.8-54.60000112.7F877 L1544 I1545F877-S1547 WeakPolarHBondContact CD1-OG 3.34Å; L1544-S1547 PolarHBondContact O-N 3.45Å; I1545-S1547 PolarHBondContact O-N 2.82Å
1548P87Confident86.9Confident6 Ų68.1 Ų8.14%0.0395%0.054CC..  trans-77.6139.1-176.332.9-34.8000111.6G1455 A1543 V1550G1455-P1548 VanDerWaalsContact N-CB 3.31Å; A1543-P1548 WeakPolarHBondContact O-CG 3.47Å; P1548-V1550 VanDerWaalsContact C-N 3.26Å; P1548-V1550 PolarHBondContact O-N 2.97Å
1549P87.2Confident86Confident51 Ų5110.2 Ų10.233%0.3318%0.076SC..SBendtrans-70.3-21172.129.5-37.9000113.4M1379 M1453 S1581M1379-P1549 HydrophobicContact CE-CB 4.06Å; M1379-P1549 HydrophobicContact CE-CG 4.08Å; M1453-P1549 HydrophobicContact CB-CG 3.77Å; M1453-P1549 HydrophobicContact CG-CG 4.17Å; M1453-P1549 WeakPolarHBondContact O-CD 3.38Å; M1453-P1549 WeakPolarHBondContact O-CG 3.21Å; P1549-S1581 PolarHBondContact O-N 3.06Å
1550V90.3Very high85.5Confident0 Ų010 Ų100%07%0.074CC..EExtended strand (participates in β ladder)trans-123127.3176.5-179.80000110.8M1379 I1380 I1438 M1453 L1454 G1455 P1548 L1552 S1581M1379-V1550 HydrophobicContact CE-CG2 3.4Å; M1379-V1550 HydrophobicContact CG-CG2 3.46Å; M1379-V1550 VanDerWaalsContact CG-CG2 3.46Å; M1379-V1550 HydrophobicContact SD-CG2 4.24Å; I1380-V1550 HydrophobicContact CD1-CG1 3.51Å; I1380-V1550 HydrophobicContact CG1-CG1 4Å; I1380-V1550 HydrophobicContact CG1-CG2 4.3Å; I1438-V1550 HydrophobicContact CG2-CG2 3.88Å; M1453-V1550 PolarHBondContact O-N 3.18Å; L1454-V1550 HydrophobicContact CD1-CB 4.13Å; L1454-V1550 HydrophobicContact CD1-CG1 3.8Å; G1455-V1550 PolarHBondContact N-O 3Å; P1548-V1550 VanDerWaalsContact C-N 3.26Å; P1548-V1550 PolarHBondContact O-N 2.97Å; V1550-L1552 HydrophobicContact CG1-CD2 4.11Å; V1550-S1581 WeakPolarHBondContact CA-O 3.47Å
1551L91.7Very high84.6Confident0 Ų010.6 Ų10.60%08%0.077CC..EExtended strand (participates in β ladder)trans-115.3118.4177.6-173.265.7000110.6L1540 A1543 L1544 L1553 L1572 V1575 V1580 S1581 I1582 L1583L1540-L1551 HydrophobicContact CD1-CD2 4.44Å; A1543-L1551 HydrophobicContact CB-CD1 3.64Å; L1544-L1551 HydrophobicContact CD2-CD1 4.17Å; L1544-L1551 HydrophobicContact CD2-CD2 3.87Å; L1551-L1553 HydrophobicContact CD1-CD2 4.05Å; L1551-L1553 HydrophobicContact CD2-CD1 4.1Å; L1551-L1553 HydrophobicContact CD2-CD2 3.89Å; L1551-L1553 HydrophobicContact CD2-CG 4.15Å; L1551-L1553 HydrophobicContact CG-CD1 4.44Å; L1551-L1553 HydrophobicContact CG-CD2 3.72Å; L1551-L1553 HydrophobicContact CG-CG 3.97Å; L1551-L1572 HydrophobicContact CD2-CD2 4.17Å; L1551-V1575 HydrophobicContact CD2-CG1 4.27Å; L1551-V1580 HydrophobicContact CB-CG1 3.87Å; L1551-S1581 PolarHBondContact N-O 3.47Å; L1551-I1582 HydrophobicContact CB-CG1 4.35Å; L1551-I1582 HydrophobicContact CD2-CD1 4.5Å; L1551-I1582 HydrophobicContact CD2-CG1 4.34Å; L1551-I1582 WeakPolarHBondContact O-CA 3.33Å; L1551-L1583 PolarHBondContact O-N 3.39Å
1552L92.4Very high83.8Confident1 Ų110.8 Ų10.81%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-100.2120.1173.6-59.6-170.1000109.9I1380 F1422 L1425 C1426 L1454 G1455 Y1456 C1457 V1550 L1583I1380-L1552 HydrophobicContact CD1-CD2 4.37Å; F1422-L1552 HydrophobicContact CD1-CB 4.19Å; F1422-L1552 HydrophobicContact CE1-CB 3.87Å; L1425-L1552 HydrophobicContact CB-CD1 3.82Å; C1426-L1552 VanDerWaalsContact SG-CD1 3.54Å; L1454-L1552 HydrophobicContact CD1-CD1 3.74Å; L1454-L1552 HydrophobicContact CD1-CD2 4.42Å; L1454-L1552 HydrophobicContact CD1-CG 3.7Å; L1454-L1552 HydrophobicContact CD2-CD1 3.9Å; L1454-L1552 HydrophobicContact CG-CD1 4.14Å; L1454-L1552 HydrophobicContact CG-CG 4.24Å; G1455-L1552 PolarHBondContact O-N 3.13Å; Y1456-L1552 CarbonylContact C-O 3.57Å; Y1456-L1552 WeakPolarHBondContact CA-O 3.41Å; Y1456-L1552 HydrophobicContact CD2-CB 3.88Å; C1457-L1552 PolarHBondContact N-O 2.94Å; V1550-L1552 HydrophobicContact CG1-CD2 4.11Å; L1552-L1583 WeakPolarHBondContact CA-O 3.42Å; L1552-L1583 HydrophobicContact CD2-CB 3.65Å; L1552-L1583 HydrophobicContact CD2-CD2 3.8Å; L1552-L1583 HydrophobicContact CD2-CG 4.1Å
1553L92.2Very high83Confident0 Ų011.9 Ų11.90%08%0.084CC..EExtended strand (participates in β ladder)trans-118.3111179.8-55.1174000110.7F1422 C1457 L1540 L1551 P1556 L1572 I1582 L1583 L1584 T1585F1422-L1553 WeakPolarHBondContact CE1-O 3.3Å; C1457-L1553 HydrophobicContact CB-CD2 3.47Å; C1457-L1553 VanDerWaalsContact CB-CD2 3.47Å; L1540-L1553 HydrophobicContact CD1-CD2 3.64Å; L1551-L1553 HydrophobicContact CD1-CD2 4.05Å; L1551-L1553 HydrophobicContact CD2-CD1 4.1Å; L1551-L1553 HydrophobicContact CD2-CD2 3.89Å; L1551-L1553 HydrophobicContact CD2-CG 4.15Å; L1551-L1553 HydrophobicContact CG-CD1 4.44Å; L1551-L1553 HydrophobicContact CG-CD2 3.72Å; L1551-L1553 HydrophobicContact CG-CG 3.97Å; L1553-P1556 HydrophobicContact CB-CB 4.03Å; L1553-P1556 HydrophobicContact CB-CG 3.71Å; L1553-P1556 HydrophobicContact CD1-CB 4.4Å; L1553-P1556 HydrophobicContact CD1-CG 4.13Å; L1553-L1572 HydrophobicContact CD1-CD1 3.71Å; L1553-L1572 HydrophobicContact CD1-CD2 3.42Å; L1553-L1572 VanDerWaalsContact CD1-CD2 3.42Å; L1553-L1572 HydrophobicContact CD1-CG 4.22Å; L1553-I1582 HydrophobicContact CD1-CG2 3.7Å; L1553-I1582 HydrophobicContact CG-CG2 4.28Å; L1553-L1583 PolarHBondContact N-O 2.87Å; L1553-L1584 HydrophobicContact CB-CB 3.94Å; L1553-L1584 HydrophobicContact CD1-CB 4.48Å; L1553-L1584 CarbonylContact O-C 3.56Å; L1553-L1584 WeakPolarHBondContact O-CA 3.48Å; L1553-T1585 PolarHBondContact O-N 3.25Å
1554D89.2Confident82.2Confident6 Ų612.3 Ų12.33%0.0329%0.087CC..EExtended strand (participates in β ladder)trans-91.7105175.9-165.420.9000109.1S1419 F1422 Y1456 C1457 Q1459 R1536 T1585S1419-D1554 PolarHBondContact OG-OD1 3.37Å; S1419-D1554 PolarHBondContact OG-OD2 3.01Å; F1422-D1554 HydrophobicContact CD1-CB 3.96Å; F1422-D1554 HydrophobicContact CE1-CB 4.36Å; Y1456-D1554 HydrophobicContact CE2-CB 4.24Å; C1457-D1554 PolarHBondContact O-N 3.23Å; Q1459-D1554 WeakPolarHBondContact CA-O 3.14Å; Q1459-D1554 HydrophobicContact CB-CB 4.29Å; Q1459-D1554 PolarHBondContact N-O 2.75Å; R1536-D1554 PolarHBondContact NH2-O 3.46Å; D1554-T1585 VanDerWaalsContact CA-OG1 3.26Å; D1554-T1585 WeakPolarHBondContact CA-OG1 3.37Å; D1554-T1585 PolarHBondContact OD1-OG1 3.46Å
1555E87.2Confident81.8Confident1 Ų112.8 Ų12.81%0.0059%0.089CC..SBendtrans56.248.1177.5-60.3-69174.600115.4K1418 Q1459 R1536 T1557 S1558 T1585 S1586 H1587K1418-E1555 VanDerWaalsContact CE-OE1 3.28Å; K1418-E1555 WeakPolarHBondContact CE-OE1 3.13Å; K1418-E1555 IonicContact NZ-OE1 2.96Å; Q1459-E1555 HydrophobicContact CG-CB 4.09Å; Q1459-E1555 HydrophobicContact CG-CG 4.26Å; R1536-E1555 PolarHBondContact NH2-O 3.46Å; E1555-T1557 VanDerWaalsContact C-N 3.26Å; E1555-T1557 PolarHBondContact O-N 3.16Å; E1555-S1558 WeakPolarHBondContact O-CB 3.33Å; E1555-S1558 PolarHBondContact O-N 3.14Å; E1555-S1558 VanDerWaalsContact O-N 3.09Å; E1555-T1585 VanDerWaalsContact CA-O 3.27Å; E1555-T1585 WeakPolarHBondContact CA-O 3.39Å; E1555-T1585 PolarHBondContact N-O 2.97Å; E1555-T1585 PolarHBondContact N-OG1 2.86Å; E1555-S1586 VanDerWaalsContact OE2-CA 3.24Å; E1555-S1586 WeakPolarHBondContact OE2-CA 3.15Å; E1555-H1587 PolarHBondContact OE1-N 3.31Å; E1555-H1587 VanDerWaalsContact OE1-N 3.12Å; E1555-H1587 IonicContact OE1-ND1 3.66Å; E1555-H1587 IonicContact OE2-CE1 2.64Å; E1555-H1587 IonicContact OE2-CG 3.83Å; E1555-H1587 PolarHBondContact OE2-N 3.48Å; E1555-H1587 IonicContact OE2-ND1 2.88Å; E1555-H1587 PolarHBondContact OE2-ND1 2.9Å
1556P84Confident81.2Confident3 Ų315.9 Ų15.92%0.01910%0.1CC..THydrogen-bonded Turntrans-62.2-20.5-159.921.8-29.1000115.7R1536 L1553 T1585 E1591R1536-P1556 WeakPolarHBondContact CD-O 3.13Å; R1536-P1556 WeakPolarHBondContact CG-O 2.99Å; R1536-P1556 PolarHBondContact NE-O 3.21Å; L1553-P1556 HydrophobicContact CB-CB 4.03Å; L1553-P1556 HydrophobicContact CB-CG 3.71Å; L1553-P1556 HydrophobicContact CD1-CB 4.4Å; L1553-P1556 HydrophobicContact CD1-CG 4.13Å; P1556-T1585 WeakPolarHBondContact CD-O 3.11Å; P1556-E1591 WeakPolarHBondContact CG-OE1 3.35Å
1557T80.8Confident81Confident4 Ų417.4 Ų17.43%0.02511%0.108CC..THydrogen-bonded Turntrans-110.910178.659.30000115.2E1555 G1559 V1560 R1565 I1568 E1591E1555-T1557 VanDerWaalsContact C-N 3.26Å; E1555-T1557 PolarHBondContact O-N 3.16Å; T1557-G1559 PolarHBondContact O-N 2.7Å; T1557-V1560 WeakPolarHBondContact O-CB 3.26Å; T1557-V1560 PolarHBondContact O-N 3.44Å; T1557-R1565 HydrophobicContact CG2-CB 4.47Å; T1557-R1565 HydrophobicContact CG2-CG 3.77Å; T1557-I1568 HydrophobicContact CG2-CB 4.17Å; T1557-I1568 HydrophobicContact CG2-CD1 4.23Å; T1557-I1568 HydrophobicContact CG2-CG2 3.87Å; T1557-E1591 VanDerWaalsContact CB-OE1 3.29Å; T1557-E1591 WeakPolarHBondContact CB-OE1 3.15Å; T1557-E1591 WeakPolarHBondContact CG2-OE1 3.24Å; T1557-E1591 PolarHBondContact N-OE1 3.02Å; T1557-E1591 PolarHBondContact OG1-OE1 3.28Å; T1557-E1591 PolarHBondContact OG1-OE2 2.89Å; T1557-E1591 VanDerWaalsContact OG1-OE2 3.09Å
1558S74.6Confident81Confident46 Ų4615.9 Ų15.932%0.32210%0.097SC..THydrogen-bonded Turntrans-58.7127.8176-169.60000112.1E1555 V1560E1555-S1558 WeakPolarHBondContact O-CB 3.33Å; E1555-S1558 PolarHBondContact O-N 3.14Å; E1555-S1558 VanDerWaalsContact O-N 3.09Å; S1558-V1560 PolarHBondContact O-N 2.86Å
1559G67.2Low80.8Confident44 Ų4416.4 Ų16.445%0.45410%0.099SC..THydrogen-bonded Turntrans71.89.9179.100000115.4T1557T1557-G1559 PolarHBondContact O-N 2.7Å
1560V76Confident80.2Confident2 Ų216.8 Ų16.81%0.01210%0.096CC..  trans-93.6136.5177.6-176.10000109.9R1536 T1557 S1558 R1565 I1568R1536-V1560 HydrophobicContact CB-CG2 3.93Å; R1536-V1560 HydrophobicContact CG-CG2 3.88Å; T1557-V1560 WeakPolarHBondContact O-CB 3.26Å; T1557-V1560 PolarHBondContact O-N 3.44Å; S1558-V1560 PolarHBondContact O-N 2.86Å; V1560-R1565 HydrophobicContact CG1-CB 4.38Å; V1560-R1565 PolarHBondContact O-NH2 2.89Å; V1560-R1565 VanDerWaalsContact O-NH2 3.08Å; V1560-I1568 HydrophobicContact CG1-CD1 4.1Å; V1560-I1568 HydrophobicContact CG2-CD1 4.26Å
1561D70.4Confident79.8Confident15 Ų1517.3 Ų17.38%0.0810%0.098CC..  trans-63.7153.8174.554.690.2000112.1N577 I1563 S1564 R1565N577-D1561 PolarHBondContact ND2-OD2 3.18Å; D1561-I1563 VanDerWaalsContact C-N 3.27Å; D1561-I1563 PolarHBondContact O-N 3.43Å; D1561-I1563 VanDerWaalsContact O-N 3.15Å; D1561-S1564 PolarHBondContact O-N 3.31Å; D1561-S1564 VanDerWaalsContact O-N 3.09Å; D1561-S1564 VanDerWaalsContact OD1-CB 3.31Å; D1561-S1564 WeakPolarHBondContact OD1-CB 3.32Å; D1561-S1564 PolarHBondContact OD1-N 3.1Å; D1561-S1564 PolarHBondContact OD1-OG 3.1Å; D1561-S1564 PolarHBondContact OD2-OG 3.25Å; D1561-R1565 WeakPolarHBondContact O-CB 3.45Å; D1561-R1565 PolarHBondContact O-N 3Å
1562P70.8Confident79.5Confident4 Ų417.3 Ų17.33%0.02610%0.099CC..Hα-helixtrans-50.3-41.3-177.1-32.137.3000115M731 E847 F850 R1565 R1566M731-P1562 HydrophobicContact CE-CG 4.4Å; E847-P1562 HydrophobicContact CG-CB 3.92Å; E847-P1562 HydrophobicContact CG-CG 4.42Å; F850-P1562 HydrophobicContact CD1-CB 4.46Å; F850-P1562 HydrophobicContact CD1-CG 4.46Å; F850-P1562 HydrophobicContact CE1-CG 4.48Å; P1562-R1565 WeakPolarHBondContact O-CB 3.44Å; P1562-R1565 PolarHBondContact O-N 3.45Å; P1562-R1566 WeakPolarHBondContact O-CG 3.28Å; P1562-R1566 PolarHBondContact O-N 2.88Å
1563I71.8Confident78.9Confident25 Ų2520.6 Ų20.613%0.12811%0.114CC..Hα-helixtrans-64.8-50-179.8-60.6168000110.1H576 L851 T854 D1561 R1565 R1566 L1567H576-I1563 HydrophobicContact CB-CD1 4.3Å; L851-I1563 HydrophobicContact CD2-CB 4.46Å; L851-I1563 HydrophobicContact CD2-CG1 3.53Å; T854-I1563 HydrophobicContact CG2-CD1 4.49Å; D1561-I1563 VanDerWaalsContact C-N 3.27Å; D1561-I1563 PolarHBondContact O-N 3.43Å; D1561-I1563 VanDerWaalsContact O-N 3.15Å; I1563-R1565 VanDerWaalsContact C-N 3.28Å; I1563-R1565 PolarHBondContact O-N 3.44Å; I1563-R1566 PolarHBondContact O-N 2.91Å; I1563-L1567 PolarHBondContact O-N 2.97Å
1564S73Confident78.2Confident12 Ų1225.6 Ų25.68%0.08413%0.133CC..Hα-helixtrans-66-31.1178.1-63.60000112.5D1561 I1568D1561-S1564 PolarHBondContact O-N 3.31Å; D1561-S1564 VanDerWaalsContact O-N 3.09Å; D1561-S1564 VanDerWaalsContact OD1-CB 3.31Å; D1561-S1564 WeakPolarHBondContact OD1-CB 3.32Å; D1561-S1564 PolarHBondContact OD1-N 3.1Å; D1561-S1564 PolarHBondContact OD1-OG 3.1Å; D1561-S1564 PolarHBondContact OD2-OG 3.25Å; S1564-I1568 WeakPolarHBondContact O-CG1 3.32Å; S1564-I1568 PolarHBondContact O-N 3.16Å; S1564-I1568 VanDerWaalsContact O-N 3.15Å
1565R78.8Confident77.9Confident12 Ų1225.3 Ų25.35%0.04513%0.131CC..Hα-helixtrans-64.8-49.9175.3-178.9-175.2-51.7135.4-1.4111.6E847 T1557 V1560 D1561 P1562 I1563 L1567 I1568 W1569E847-R1565 IonicContact OE1-NH1 3.92Å; E847-R1565 PolarHBondContact OE1-NH1 3.47Å; E847-R1565 VanDerWaalsContact OE1-NH1 3.15Å; T1557-R1565 HydrophobicContact CG2-CB 4.47Å; T1557-R1565 HydrophobicContact CG2-CG 3.77Å; V1560-R1565 HydrophobicContact CG1-CB 4.38Å; V1560-R1565 PolarHBondContact O-NH2 2.89Å; V1560-R1565 VanDerWaalsContact O-NH2 3.08Å; D1561-R1565 WeakPolarHBondContact O-CB 3.45Å; D1561-R1565 PolarHBondContact O-N 3Å; P1562-R1565 WeakPolarHBondContact O-CB 3.44Å; P1562-R1565 PolarHBondContact O-N 3.45Å; I1563-R1565 VanDerWaalsContact C-N 3.28Å; I1563-R1565 PolarHBondContact O-N 3.44Å; R1565-L1567 VanDerWaalsContact C-N 3.28Å; R1565-L1567 PolarHBondContact O-N 2.88Å; R1565-I1568 WeakPolarHBondContact O-CA 3.39Å; R1565-I1568 WeakPolarHBondContact O-CB 3.26Å; R1565-I1568 PolarHBondContact O-N 3.17Å; R1565-W1569 HydrophobicContact CG-CD2 4.25Å; R1565-W1569 HydrophobicContact CG-CH2 4.37Å; R1565-W1569 HydrophobicContact CG-CZ2 3.68Å; R1565-W1569 PolarHBondContact O-N 3.34Å
1566R76.5Confident77.7Confident66 Ų6627.4 Ų27.425%0.24914%0.139CC..Hα-helixtrans-59.5-38.2177.2-69.4-69.8-177.2145.14.3112.2E847 E848 L851 P1562 I1563 W1569 Q1570E847-R1566 IonicContact OE2-CZ 2.77Å; E847-R1566 IonicContact OE2-NE 2.98Å; E847-R1566 PolarHBondContact OE2-NE 3.39Å; E847-R1566 IonicContact OE2-NH2 3.38Å; E847-R1566 PolarHBondContact OE2-NH2 2.89Å; E848-R1566 IonicContact OE1-NH2 3.5Å; L851-R1566 HydrophobicContact CD1-CG 4.31Å; P1562-R1566 WeakPolarHBondContact O-CG 3.28Å; P1562-R1566 PolarHBondContact O-N 2.88Å; I1563-R1566 PolarHBondContact O-N 2.91Å; R1566-W1569 PolarHBondContact O-N 2.91Å; R1566-Q1570 WeakPolarHBondContact O-CG 3.41Å; R1566-Q1570 PolarHBondContact O-N 3.26Å
1567L76.4Confident77.2Confident33 Ų3329.6 Ų29.617%0.17315%0.154CC..Hα-helixtrans-63.2-39173.5-72.2168.7000112.6I1563 R1565 L1571I1563-L1567 PolarHBondContact O-N 2.97Å; R1565-L1567 VanDerWaalsContact C-N 3.28Å; R1565-L1567 PolarHBondContact O-N 2.88Å; L1567-L1571 WeakPolarHBondContact O-CB 3.28Å; L1567-L1571 PolarHBondContact O-N 3.43Å; L1567-L1571 VanDerWaalsContact O-N 3.16Å
1568I82.8Confident77Confident3 Ų331.4 Ų31.42%0.01517%0.167CC..Hα-helixtrans-66.3-44175.2-69.3166.1000110.2R1536 K1537 L1540 T1557 V1560 S1564 R1565 L1571 L1572R1536-I1568 HydrophobicContact CB-CD1 4.34Å; R1536-I1568 HydrophobicContact CG-CD1 4.1Å; K1537-I1568 HydrophobicContact CG-CG1 4.22Å; L1540-I1568 HydrophobicContact CD2-CG2 4.06Å; T1557-I1568 HydrophobicContact CG2-CB 4.17Å; T1557-I1568 HydrophobicContact CG2-CD1 4.23Å; T1557-I1568 HydrophobicContact CG2-CG2 3.87Å; V1560-I1568 HydrophobicContact CG1-CD1 4.1Å; V1560-I1568 HydrophobicContact CG2-CD1 4.26Å; S1564-I1568 WeakPolarHBondContact O-CG1 3.32Å; S1564-I1568 PolarHBondContact O-N 3.16Å; S1564-I1568 VanDerWaalsContact O-N 3.15Å; R1565-I1568 WeakPolarHBondContact O-CA 3.39Å; R1565-I1568 WeakPolarHBondContact O-CB 3.26Å; R1565-I1568 PolarHBondContact O-N 3.17Å; I1568-L1571 WeakPolarHBondContact O-CB 3.26Å; I1568-L1571 PolarHBondContact O-N 3.06Å; I1568-L1571 VanDerWaalsContact O-N 3.16Å; I1568-L1572 HydrophobicContact CG2-CD1 3.92Å; I1568-L1572 HydrophobicContact CG2-CG 4.22Å; I1568-L1572 WeakPolarHBondContact O-CG 3.07Å; I1568-L1572 PolarHBondContact O-N 2.97Å
1569W82.9Confident77.2Confident17 Ų1730.9 Ų30.96%0.06417%0.169CC..Hα-helixtrans-61.2-47.4178.4-66.3-7.7000112.5R1565 R1566 L1571 L1572 E1573 E1590 E1591 A1594 L1595R1565-W1569 HydrophobicContact CG-CD2 4.25Å; R1565-W1569 HydrophobicContact CG-CH2 4.37Å; R1565-W1569 HydrophobicContact CG-CZ2 3.68Å; R1565-W1569 PolarHBondContact O-N 3.34Å; R1566-W1569 PolarHBondContact O-N 2.91Å; W1569-L1571 PolarHBondContact O-N 2.78Å; W1569-L1572 PolarHBondContact O-N 2.86Å; W1569-L1572 VanDerWaalsContact O-N 3.14Å; W1569-E1573 WeakPolarHBondContact O-CB 3.4Å; W1569-E1573 PolarHBondContact O-N 3.43Å; W1569-E1590 HydrophobicContact CH2-CB 3.97Å; W1569-E1590 HydrophobicContact CZ2-CB 4.39Å; W1569-E1591 VanDerWaalsContact CZ2-CA 3.48Å; W1569-E1591 HydrophobicContact CZ2-CB 3.92Å; W1569-A1594 HydrophobicContact CD2-CB 3.96Å; W1569-A1594 HydrophobicContact CE3-CB 3.61Å; W1569-A1594 HydrophobicContact CH2-CB 4.17Å; W1569-A1594 HydrophobicContact CZ2-CB 4.44Å; W1569-A1594 HydrophobicContact CZ3-CB 3.74Å; W1569-L1595 HydrophobicContact CB-CD2 4Å; W1569-L1595 HydrophobicContact CG-CD1 4.27Å; W1569-L1595 HydrophobicContact CG-CD2 4.32Å; W1569-L1595 HydrophobicContact CG-CG 4.3Å
1570Q75.7Confident78.1Confident59 Ų5929.3 Ų29.328%0.27615%0.15SC..Hα-helixtrans-57.8-35.5175.2-73.7176.9-4.300112.2R1566 R1574R1566-Q1570 WeakPolarHBondContact O-CG 3.41Å; R1566-Q1570 PolarHBondContact O-N 3.26Å; Q1570-R1574 WeakPolarHBondContact O-CG 3.5Å; Q1570-R1574 PolarHBondContact O-N 3.28Å; Q1570-R1574 VanDerWaalsContact O-N 3.15Å
1571L81.8Confident78.8Confident10 Ų1029.2 Ų29.25%0.05215%0.149CC..Hα-helixtrans-70.5-45.9175.8177.4155.7000112M1497 V1498 L1540 L1544 L1567 I1568 W1569 E1573 R1574 V1575M1497-L1571 HydrophobicContact CG-CD1 4.34Å; M1497-L1571 VanDerWaalsContact O-CD1 3.26Å; M1497-L1571 WeakPolarHBondContact O-CD1 3.26Å; V1498-L1571 VanDerWaalsContact CA-CD1 3.48Å; V1498-L1571 HydrophobicContact CB-CD1 3.9Å; V1498-L1571 HydrophobicContact CG1-CD1 3.42Å; V1498-L1571 VanDerWaalsContact CG1-CD1 3.42Å; L1540-L1571 HydrophobicContact CD2-CD1 4.35Å; L1540-L1571 HydrophobicContact CD2-CD2 3.42Å; L1540-L1571 VanDerWaalsContact CD2-CD2 3.42Å; L1540-L1571 HydrophobicContact CD2-CG 4.44Å; L1540-L1571 HydrophobicContact CG-CD2 4.06Å; L1544-L1571 HydrophobicContact CD1-CD2 3.91Å; L1567-L1571 WeakPolarHBondContact O-CB 3.28Å; L1567-L1571 PolarHBondContact O-N 3.43Å; L1567-L1571 VanDerWaalsContact O-N 3.16Å; I1568-L1571 WeakPolarHBondContact O-CB 3.26Å; I1568-L1571 PolarHBondContact O-N 3.06Å; I1568-L1571 VanDerWaalsContact O-N 3.16Å; W1569-L1571 PolarHBondContact O-N 2.78Å; L1571-E1573 VanDerWaalsContact C-N 3.27Å; L1571-E1573 PolarHBondContact O-N 3.27Å; L1571-R1574 PolarHBondContact O-N 3.34Å; L1571-V1575 HydrophobicContact CD2-CG2 3.92Å; L1571-V1575 WeakPolarHBondContact O-CG2 3.47Å; L1571-V1575 PolarHBondContact O-N 2.87Å
1572L85.2Confident79.8Confident1 Ų128.5 Ų28.51%0.00515%0.146CC..Hα-helixtrans-63.1-36.8178.2-69.5178.4000111.6L1540 L1551 L1553 I1568 W1569 V1575 R1576 I1582 L1595L1540-L1572 HydrophobicContact CD1-CD2 3.91Å; L1540-L1572 HydrophobicContact CD2-CD2 4.18Å; L1551-L1572 HydrophobicContact CD2-CD2 4.17Å; L1553-L1572 HydrophobicContact CD1-CD1 3.71Å; L1553-L1572 HydrophobicContact CD1-CD2 3.42Å; L1553-L1572 VanDerWaalsContact CD1-CD2 3.42Å; L1553-L1572 HydrophobicContact CD1-CG 4.22Å; I1568-L1572 HydrophobicContact CG2-CD1 3.92Å; I1568-L1572 HydrophobicContact CG2-CG 4.22Å; I1568-L1572 WeakPolarHBondContact O-CG 3.07Å; I1568-L1572 PolarHBondContact O-N 2.97Å; W1569-L1572 PolarHBondContact O-N 2.86Å; W1569-L1572 VanDerWaalsContact O-N 3.14Å; L1572-V1575 PolarHBondContact O-N 3Å; L1572-R1576 WeakPolarHBondContact O-CB 3.34Å; L1572-R1576 PolarHBondContact O-N 3.07Å; L1572-I1582 HydrophobicContact CB-CD1 4.46Å; L1572-I1582 HydrophobicContact CD2-CD1 4.45Å; L1572-L1595 HydrophobicContact CB-CD1 4.25Å; L1572-L1595 HydrophobicContact CB-CD2 4.03Å; L1572-L1595 HydrophobicContact CD1-CD1 3.53Å
1573E79.6Confident80.8Confident70 Ų7028.3 Ų28.333%0.32715%0.145SC..Hα-helixtrans-62.7-47.1173.2-172.4171.2-154.100111.5W1569 L1571 V1575 R1576 C1577W1569-E1573 WeakPolarHBondContact O-CB 3.4Å; W1569-E1573 PolarHBondContact O-N 3.43Å; L1571-E1573 VanDerWaalsContact C-N 3.27Å; L1571-E1573 PolarHBondContact O-N 3.27Å; E1573-V1575 VanDerWaalsContact C-N 3.34Å; E1573-V1575 PolarHBondContact O-N 2.84Å; E1573-R1576 WeakPolarHBondContact O-CB 3.34Å; E1573-R1576 PolarHBondContact O-N 2.96Å; E1573-R1576 IonicContact OE1-NH2 3.55Å; E1573-C1577 PolarHBondContact O-N 3.13Å; E1573-C1577 PolarHBondContact O-SG 2.92Å
1574R77.9Confident81.8Confident104 Ų10427.1 Ų27.139%0.39214%0.139SC..Hα-helixtrans-60.3-41.1173.8-73.7-178.4-131.9177.7-0.2112.7V871 V875 Q1570 L1571 C1577 S1578V871-R1574 HydrophobicContact CG1-CG 4.44Å; V875-R1574 HydrophobicContact CG2-CB 4.18Å; Q1570-R1574 WeakPolarHBondContact O-CG 3.5Å; Q1570-R1574 PolarHBondContact O-N 3.28Å; Q1570-R1574 VanDerWaalsContact O-N 3.15Å; L1571-R1574 PolarHBondContact O-N 3.34Å; R1574-C1577 WeakPolarHBondContact O-CB 3.22Å; R1574-C1577 PolarHBondContact O-N 2.86Å; R1574-S1578 PolarHBondContact O-N 2.97Å
1575V82.9Confident82.5Confident0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-64.6-43.7177.11690000110.8F877 M1497 L1544 L1551 L1571 L1572 E1573 C1577 S1578 V1580 I1582F877-V1575 HydrophobicContact CZ-CG2 4.35Å; M1497-V1575 HydrophobicContact SD-CG2 4.22Å; L1544-V1575 HydrophobicContact CD1-CG2 3.97Å; L1544-V1575 HydrophobicContact CD2-CG1 3.86Å; L1544-V1575 HydrophobicContact CD2-CG2 4Å; L1551-V1575 HydrophobicContact CD2-CG1 4.27Å; L1571-V1575 HydrophobicContact CD2-CG2 3.92Å; L1571-V1575 WeakPolarHBondContact O-CG2 3.47Å; L1571-V1575 PolarHBondContact O-N 2.87Å; L1572-V1575 PolarHBondContact O-N 3Å; E1573-V1575 VanDerWaalsContact C-N 3.34Å; E1573-V1575 PolarHBondContact O-N 2.84Å; V1575-C1577 VanDerWaalsContact C-N 3.35Å; V1575-C1577 PolarHBondContact O-N 2.98Å; V1575-S1578 WeakPolarHBondContact O-CB 3.07Å; V1575-S1578 PolarHBondContact O-N 3.29Å; V1575-S1578 VanDerWaalsContact O-N 3.16Å; V1575-S1578 PolarHBondContact O-OG 2.9Å; V1575-V1580 HydrophobicContact CG1-CB 3.81Å; V1575-V1580 HydrophobicContact CG1-CG1 4.01Å; V1575-V1580 HydrophobicContact CG1-CG2 4.01Å; V1575-I1582 HydrophobicContact CG1-CD1 4.42Å
1576R82.4Confident82.8Confident46 Ų4626 Ų2617%0.17413%0.132CC..Hα-helixtrans-59.4-44.6173.8-175.6-169.964.2140.7-7.2111.5S804 G1405 L1572 E1573 S1578 G1579 I1582S804-R1576 PolarHBondContact OG-NH1 3.28Å; S804-R1576 PolarHBondContact OG-NH2 3.14Å; G1405-R1576 WeakPolarHBondContact O-CG 3.14Å; L1572-R1576 WeakPolarHBondContact O-CB 3.34Å; L1572-R1576 PolarHBondContact O-N 3.07Å; E1573-R1576 WeakPolarHBondContact O-CB 3.34Å; E1573-R1576 PolarHBondContact O-N 2.96Å; E1573-R1576 IonicContact OE1-NH2 3.55Å; R1576-S1578 PolarHBondContact O-N 2.72Å; R1576-G1579 PolarHBondContact O-N 3.34Å; R1576-I1582 HydrophobicContact CB-CD1 4Å
1577C74.4Confident82.9Confident48 Ų4823.7 Ų23.732%0.32412%0.124SC..Hα-helixtrans-59.5-25.7177.1-71.20000113.5C872 E1573 R1574 V1575 G1579C872-C1577 HydrophobicContact CB-CB 4.44Å; E1573-C1577 PolarHBondContact O-N 3.13Å; E1573-C1577 PolarHBondContact O-SG 2.92Å; R1574-C1577 WeakPolarHBondContact O-CB 3.22Å; R1574-C1577 PolarHBondContact O-N 2.86Å; V1575-C1577 VanDerWaalsContact C-N 3.35Å; V1575-C1577 PolarHBondContact O-N 2.98Å; C1577-G1579 PolarHBondContact O-N 3.02Å
1578S75.6Confident82.8Confident43 Ų4323.1 Ų23.130%0.30112%0.123SC..THydrogen-bonded Turntrans-76.7-3174.277.20000114.3F877 R1574 V1575 R1576F877-S1578 WeakPolarHBondContact CD2-OG 3.35Å; F877-S1578 VanDerWaalsContact CE2-OG 3.22Å; F877-S1578 WeakPolarHBondContact CE2-OG 3.46Å; R1574-S1578 PolarHBondContact O-N 2.97Å; V1575-S1578 WeakPolarHBondContact O-CB 3.07Å; V1575-S1578 PolarHBondContact O-N 3.29Å; V1575-S1578 VanDerWaalsContact O-N 3.16Å; V1575-S1578 PolarHBondContact O-OG 2.9Å; R1576-S1578 PolarHBondContact O-N 2.72Å
1579G78.9Confident82.5Confident35 Ų3523.5 Ų23.536%0.36113%0.125SC..THydrogen-bonded Turntrans97.48177.900000115.3R1576 C1577R1576-G1579 PolarHBondContact O-N 3.34Å; C1577-G1579 PolarHBondContact O-N 3.02Å
1580V87.1Confident82.1Confident10 Ų1024.8 Ų24.86%0.06113%0.132CC..  trans-76.1128.5176.11780000110F877 L1551 V1575F877-V1580 HydrophobicContact CE2-CG2 4.17Å; L1551-V1580 HydrophobicContact CB-CG1 3.87Å; V1575-V1580 HydrophobicContact CG1-CB 3.81Å; V1575-V1580 HydrophobicContact CG1-CG1 4.01Å; V1575-V1580 HydrophobicContact CG1-CG2 4.01Å
1581S89.2Confident82.3Confident0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-79.2125.7172.4-67.60000110.4M1379 A1403 K1404 G1405 P1549 V1550 L1551M1379-S1581 WeakPolarHBondContact CB-OG 3.42Å; A1403-S1581 PolarHBondContact O-OG 3.02Å; K1404-S1581 VanDerWaalsContact CA-OG 3.24Å; K1404-S1581 WeakPolarHBondContact CA-OG 3.46Å; G1405-S1581 PolarHBondContact N-OG 3.22Å; P1549-S1581 PolarHBondContact O-N 3.06Å; V1550-S1581 WeakPolarHBondContact CA-O 3.47Å; L1551-S1581 PolarHBondContact N-O 3.47Å
1582I91.6Very high82.3Confident1 Ų121.5 Ų21.51%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-110.3125.5-177.8-54.5178.6000108.8E1406 C1407 F1408 L1551 L1553 L1572 V1575 R1576 L1584E1406-I1582 PolarHBondContact O-N 2.87Å; C1407-I1582 CarbonylContact C-O 3.58Å; C1407-I1582 VanDerWaalsContact CA-O 3.32Å; C1407-I1582 WeakPolarHBondContact CA-O 3.26Å; C1407-I1582 HydrophobicContact CB-CB 4.17Å; F1408-I1582 PolarHBondContact N-O 2.95Å; L1551-I1582 HydrophobicContact CB-CG1 4.35Å; L1551-I1582 HydrophobicContact CD2-CD1 4.5Å; L1551-I1582 HydrophobicContact CD2-CG1 4.34Å; L1551-I1582 WeakPolarHBondContact O-CA 3.33Å; L1553-I1582 HydrophobicContact CD1-CG2 3.7Å; L1553-I1582 HydrophobicContact CG-CG2 4.28Å; L1572-I1582 HydrophobicContact CB-CD1 4.46Å; L1572-I1582 HydrophobicContact CD2-CD1 4.45Å; V1575-I1582 HydrophobicContact CG1-CD1 4.42Å; R1576-I1582 HydrophobicContact CB-CD1 4Å; I1582-L1584 HydrophobicContact CG2-CB 4.46Å
1583L92.6Very high81.9Confident0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-114.2114.3166.1174.363.9000107.1I1380 F1400 V1402 F1408 F1422 L1425 L1551 L1552 L1553I1380-L1583 HydrophobicContact CD1-CB 4Å; I1380-L1583 HydrophobicContact CD1-CD2 4.24Å; F1400-L1583 HydrophobicContact CE2-CD1 3.93Å; F1400-L1583 HydrophobicContact CE2-CD2 3.98Å; F1400-L1583 HydrophobicContact CZ-CD1 4.33Å; F1400-L1583 HydrophobicContact CZ-CD2 4.03Å; V1402-L1583 HydrophobicContact CG2-CD1 4.3Å; F1408-L1583 HydrophobicContact CB-CD1 4.23Å; F1408-L1583 HydrophobicContact CD1-CD1 3.53Å; F1408-L1583 HydrophobicContact CE1-CD1 4.39Å; F1408-L1583 HydrophobicContact CG-CD1 4.33Å; F1408-L1583 WeakPolarHBondContact O-CA 3.33Å; F1422-L1583 HydrophobicContact CE2-CD2 4.09Å; F1422-L1583 HydrophobicContact CE2-CG 3.92Å; F1422-L1583 HydrophobicContact CZ-CD2 4.29Å; F1422-L1583 HydrophobicContact CZ-CG 3.78Å; F1422-L1583 WeakPolarHBondContact CZ-O 3.45Å; L1425-L1583 HydrophobicContact CD1-CD2 3.42Å; L1425-L1583 VanDerWaalsContact CD1-CD2 3.42Å; L1551-L1583 PolarHBondContact O-N 3.39Å; L1552-L1583 WeakPolarHBondContact CA-O 3.42Å; L1552-L1583 HydrophobicContact CD2-CB 3.65Å; L1552-L1583 HydrophobicContact CD2-CD2 3.8Å; L1552-L1583 HydrophobicContact CD2-CG 4.1Å; L1553-L1583 PolarHBondContact N-O 2.87Å
1584L91.7Very high81.5Confident0 Ų022.4 Ų22.40%013%0.129CC..EExtended strand (participates in β ladder)trans-115.1139.8179.770.385.5000111.5C1407 F1408 G1409 L1410 L1553 I1582 L1595C1407-L1584 VanDerWaalsContact SG-CD2 3.59Å; F1408-L1584 PolarHBondContact O-N 3.12Å; G1409-L1584 CarbonylContact C-O 3.55Å; G1409-L1584 WeakPolarHBondContact CA-O 3.4Å; L1410-L1584 PolarHBondContact N-O 2.91Å; L1553-L1584 HydrophobicContact CB-CB 3.94Å; L1553-L1584 HydrophobicContact CD1-CB 4.48Å; L1553-L1584 CarbonylContact O-C 3.56Å; L1553-L1584 WeakPolarHBondContact O-CA 3.48Å; I1582-L1584 HydrophobicContact CG2-CB 4.46Å; L1584-L1595 HydrophobicContact CD2-CB 4.17Å; L1584-L1595 HydrophobicContact CD2-CD1 4.02Å
1585T89.3Confident81.6Confident0 Ų018.2 Ų18.20%011%0.114CC..EExtended strand (participates in β ladder)trans-90.3138.9157.869.30000107.3L1410 K1418 F1422 L1553 D1554 E1555 P1556L1410-T1585 HydrophobicContact CB-CG2 4.46Å; L1410-T1585 WeakPolarHBondContact O-CA 3.42Å; K1418-T1585 HydrophobicContact CB-CG2 3.99Å; F1422-T1585 HydrophobicContact CD1-CG2 4.22Å; F1422-T1585 HydrophobicContact CD2-CG2 3.35Å; F1422-T1585 HydrophobicContact CE1-CG2 3.98Å; F1422-T1585 HydrophobicContact CE2-CG2 3.11Å; F1422-T1585 HydrophobicContact CG-CG2 3.92Å; F1422-T1585 HydrophobicContact CZ-CG2 3.44Å; F1422-T1585 VanDerWaalsContact CZ-CG2 3.44Å; L1553-T1585 PolarHBondContact O-N 3.25Å; D1554-T1585 VanDerWaalsContact CA-OG1 3.26Å; D1554-T1585 WeakPolarHBondContact CA-OG1 3.37Å; D1554-T1585 PolarHBondContact OD1-OG1 3.46Å; E1555-T1585 VanDerWaalsContact CA-O 3.27Å; E1555-T1585 WeakPolarHBondContact CA-O 3.39Å; E1555-T1585 PolarHBondContact N-O 2.97Å; E1555-T1585 PolarHBondContact N-OG1 2.86Å; P1556-T1585 WeakPolarHBondContact CD-O 3.11Å
1586S84.7Confident81.7Confident0 Ų018.6 Ų18.60%012%0.117CC..EExtended strand (participates in β ladder)trans-145.1146.7165.3-167.10000110.5L1411 E1555 S1588 E1591L1411-S1586 WeakPolarHBondContact CD1-O 3.35Å; E1555-S1586 VanDerWaalsContact OE2-CA 3.24Å; E1555-S1586 WeakPolarHBondContact OE2-CA 3.15Å; S1586-S1588 WeakPolarHBondContact OG-CB 3.46Å; S1586-S1588 PolarHBondContact OG-N 2.87Å; S1586-S1588 PolarHBondContact OG-O 3.1Å; S1586-E1591 WeakPolarHBondContact CB-OE2 3.47Å; S1586-E1591 PolarHBondContact OG-OE2 2.93Å
1587H78Confident81.5Confident17 Ų1718.5 Ų18.58%0.07913%0.126CC..SBendtrans-95.3-10.8160.270.8-68.4000111.8E1555 M1589E1555-H1587 PolarHBondContact OE1-N 3.31Å; E1555-H1587 VanDerWaalsContact OE1-N 3.12Å; E1555-H1587 IonicContact OE1-ND1 3.66Å; E1555-H1587 IonicContact OE2-CE1 2.64Å; E1555-H1587 IonicContact OE2-CG 3.83Å; E1555-H1587 PolarHBondContact OE2-N 3.48Å; E1555-H1587 IonicContact OE2-ND1 2.88Å; E1555-H1587 PolarHBondContact OE2-ND1 2.9Å; H1587-M1589 VanDerWaalsContact O-CE 3.25Å; H1587-M1589 WeakPolarHBondContact O-CE 3.18Å
1588S74.8Confident82Confident22 Ų2219 Ų1915%0.15412%0.121CC..  trans-83.9114.6174.2175.20000109.2S1586 E1590 E1591 C1592S1586-S1588 WeakPolarHBondContact OG-CB 3.46Å; S1586-S1588 PolarHBondContact OG-N 2.87Å; S1586-S1588 PolarHBondContact OG-O 3.1Å; S1588-E1590 VanDerWaalsContact C-N 3.28Å; S1588-E1590 PolarHBondContact O-N 3.4Å; S1588-E1591 PolarHBondContact O-N 3.18Å; S1588-E1591 PolarHBondContact OG-N 2.83Å; S1588-C1592 PolarHBondContact O-N 2.78Å
1589M76.1Confident82.6Confident11 Ų1116.9 Ų16.95%0.05411%0.107CC..Hα-helixtrans-64.6-37.7176.2-58.2-59.4123.100111.1P705 L1411 H1587 E1591 C1592 E1593 L1697 E1698 F1701P705-M1589 HydrophobicContact CG-CE 4.46Å; L1411-M1589 HydrophobicContact CD1-CE 3.13Å; L1411-M1589 HydrophobicContact CD1-SD 3.71Å; L1411-M1589 HydrophobicContact CD2-CE 3.79Å; L1411-M1589 HydrophobicContact CD2-SD 3.43Å; L1411-M1589 WeakPolarHBondContact CD2-SD 3.41Å; L1411-M1589 HydrophobicContact CG-CE 3.69Å; L1411-M1589 HydrophobicContact CG-SD 4.03Å; H1587-M1589 VanDerWaalsContact O-CE 3.25Å; H1587-M1589 WeakPolarHBondContact O-CE 3.18Å; M1589-E1591 VanDerWaalsContact C-N 3.34Å; M1589-E1591 PolarHBondContact O-N 3.14Å; M1589-C1592 WeakPolarHBondContact O-CB 3.18Å; M1589-C1592 PolarHBondContact O-N 3.49Å; M1589-E1593 VanDerWaalsContact O-CB 3.31Å; M1589-E1593 WeakPolarHBondContact O-CB 3.24Å; M1589-E1593 PolarHBondContact O-N 3.48Å; M1589-L1697 HydrophobicContact CB-CB 4.08Å; M1589-L1697 HydrophobicContact CB-CD2 4.1Å; M1589-L1697 HydrophobicContact CB-CG 4.19Å; M1589-L1697 HydrophobicContact SD-CD2 4.46Å; M1589-L1697 HydrophobicContact SD-CG 4.27Å; M1589-E1698 HydrophobicContact CB-CB 4.47Å; M1589-E1698 HydrophobicContact CG-CB 3.75Å; M1589-E1698 HydrophobicContact CG-CG 4.16Å; M1589-F1701 HydrophobicContact CE-CD1 4.4Å; M1589-F1701 HydrophobicContact CE-CD2 4.46Å; M1589-F1701 HydrophobicContact CE-CG 4.28Å; M1589-F1701 HydrophobicContact SD-CB 4.01Å; M1589-F1701 HydrophobicContact SD-CD2 4.48Å; M1589-F1701 HydrophobicContact SD-CG 4.16Å
1590E74.6Confident83Confident43 Ų4315.2 Ų15.220%0.2019%0.089CC..Hα-helixtrans-61-41.6177.8-57.8179.4150.600111.9W1569 S1588 E1593 A1594W1569-E1590 HydrophobicContact CH2-CB 3.97Å; W1569-E1590 HydrophobicContact CZ2-CB 4.39Å; S1588-E1590 VanDerWaalsContact C-N 3.28Å; S1588-E1590 PolarHBondContact O-N 3.4Å; E1590-E1593 PolarHBondContact O-N 3.44Å; E1590-A1594 VanDerWaalsContact O-CB 3.24Å; E1590-A1594 WeakPolarHBondContact O-CB 3.41Å; E1590-A1594 PolarHBondContact O-N 3.36Å
1591E79.8Confident83Confident0 Ų014.9 Ų14.90%09%0.087CC..Hα-helixtrans-63.9-45.6176.6173.6167-119.800111.9P1556 T1557 W1569 S1586 S1588 M1589 E1593 A1594 L1595P1556-E1591 WeakPolarHBondContact CG-OE1 3.35Å; T1557-E1591 VanDerWaalsContact CB-OE1 3.29Å; T1557-E1591 WeakPolarHBondContact CB-OE1 3.15Å; T1557-E1591 WeakPolarHBondContact CG2-OE1 3.24Å; T1557-E1591 PolarHBondContact N-OE1 3.02Å; T1557-E1591 PolarHBondContact OG1-OE1 3.28Å; T1557-E1591 PolarHBondContact OG1-OE2 2.89Å; T1557-E1591 VanDerWaalsContact OG1-OE2 3.09Å; W1569-E1591 VanDerWaalsContact CZ2-CA 3.48Å; W1569-E1591 HydrophobicContact CZ2-CB 3.92Å; S1586-E1591 WeakPolarHBondContact CB-OE2 3.47Å; S1586-E1591 PolarHBondContact OG-OE2 2.93Å; S1588-E1591 PolarHBondContact O-N 3.18Å; S1588-E1591 PolarHBondContact OG-N 2.83Å; M1589-E1591 VanDerWaalsContact C-N 3.34Å; M1589-E1591 PolarHBondContact O-N 3.14Å; E1591-E1593 VanDerWaalsContact C-N 3.35Å; E1591-A1594 PolarHBondContact O-N 2.95Å; E1591-L1595 HydrophobicContact CG-CD1 4.07Å; E1591-L1595 WeakPolarHBondContact O-CB 3.5Å; E1591-L1595 PolarHBondContact O-N 3.45Å
1592C82Confident82.9Confident0 Ų014.9 Ų14.90%09%0.087CC..Hα-helixtrans-61.2-42.8174.1-83.40000111.8S1588 M1589 C1596 L1599S1588-C1592 PolarHBondContact O-N 2.78Å; M1589-C1592 WeakPolarHBondContact O-CB 3.18Å; M1589-C1592 PolarHBondContact O-N 3.49Å; C1592-C1596 WeakPolarHBondContact O-CB 3.43Å; C1592-C1596 PolarHBondContact O-N 2.9Å; C1592-L1599 HydrophobicContact CB-CD1 4.01Å; C1592-L1599 HydrophobicContact CB-CD2 3.51Å; C1592-L1599 HydrophobicContact CB-CG 4.42Å; C1592-L1599 VanDerWaalsContact SG-CD2 3.6Å
1593E76.2Confident82.5Confident41 Ų4115.6 Ų15.619%0.1929%0.092CC..Hα-helixtrans-69.2-32.4178.6-176.1169.1171.400112.6R769 M1589 E1590 E1591 P1613 K1617 L1697R769-E1593 IonicContact CZ-OE1 3.59Å; R769-E1593 IonicContact NE-OE1 2.84Å; R769-E1593 IonicContact NH2-OE1 3.82Å; R769-E1593 PolarHBondContact NH2-OE1 2.99Å; M1589-E1593 VanDerWaalsContact O-CB 3.31Å; M1589-E1593 WeakPolarHBondContact O-CB 3.24Å; M1589-E1593 PolarHBondContact O-N 3.48Å; E1590-E1593 PolarHBondContact O-N 3.44Å; E1591-E1593 VanDerWaalsContact C-N 3.35Å; E1593-P1613 HydrophobicContact CG-CB 4.37Å; E1593-K1617 IonicContact OE1-NZ 3.67Å; E1593-K1617 PolarHBondContact OE1-NZ 3.43Å; E1593-K1617 IonicContact OE2-NZ 2.68Å; E1593-K1617 PolarHBondContact OE2-NZ 3.46Å; E1593-L1697 HydrophobicContact CB-CD2 4.16Å
1594A72.5Confident81.9Confident50 Ų5022 Ų2241%0.41312%0.121SC..Hα-helixtrans-78.9-34.1179.400000113.3W1569 E1590 E1591W1569-A1594 HydrophobicContact CD2-CB 3.96Å; W1569-A1594 HydrophobicContact CE3-CB 3.61Å; W1569-A1594 HydrophobicContact CH2-CB 4.17Å; W1569-A1594 HydrophobicContact CZ2-CB 4.44Å; W1569-A1594 HydrophobicContact CZ3-CB 3.74Å; E1590-A1594 VanDerWaalsContact O-CB 3.24Å; E1590-A1594 WeakPolarHBondContact O-CB 3.41Å; E1590-A1594 PolarHBondContact O-N 3.36Å; E1591-A1594 PolarHBondContact O-N 2.95Å
1595L79.5Confident81.5Confident15 Ų1522 Ų228%0.07912%0.121CC..Hα-helixtrans-112.3-36.4-169.1-64.2175.6000114.8C1407 W1569 L1572 L1584 E1591C1407-L1595 VanDerWaalsContact CB-O 3.32Å; C1407-L1595 WeakPolarHBondContact CB-O 3.44Å; C1407-L1595 PolarHBondContact SG-O 2.84Å; W1569-L1595 HydrophobicContact CB-CD2 4Å; W1569-L1595 HydrophobicContact CG-CD1 4.27Å; W1569-L1595 HydrophobicContact CG-CD2 4.32Å; W1569-L1595 HydrophobicContact CG-CG 4.3Å; L1572-L1595 HydrophobicContact CB-CD1 4.25Å; L1572-L1595 HydrophobicContact CB-CD2 4.03Å; L1572-L1595 HydrophobicContact CD1-CD1 3.53Å; L1584-L1595 HydrophobicContact CD2-CB 4.17Å; L1584-L1595 HydrophobicContact CD2-CD1 4.02Å; E1591-L1595 HydrophobicContact CG-CD1 4.07Å; E1591-L1595 WeakPolarHBondContact O-CB 3.5Å; E1591-L1595 PolarHBondContact O-N 3.45Å
1596C84.8Confident81.2Confident9 Ų925.1 Ų25.16%0.06114%0.136CC..  trans-88.7132-167.6-58.20000111.6C1407 G1409 C1592 L1599C1407-C1596 WeakPolarHBondContact O-CA 3.35Å; G1409-C1596 VanDerWaalsContact CA-SG 3.54Å; C1592-C1596 WeakPolarHBondContact O-CB 3.43Å; C1592-C1596 PolarHBondContact O-N 2.9Å; C1596-L1599 HydrophobicContact CB-CD2 3.37Å; C1596-L1599 HydrophobicContact CB-CG 4.14Å
1597A78.4Confident81.2Confident44 Ų4425.6 Ų25.636%0.36414%0.139SC..SBendtrans-75.4-36.1170.200000111.2E1406 C1407 S1612E1406-A1597 HydrophobicContact CG-CB 4.45Å; C1407-A1597 PolarHBondContact O-N 3.43Å; A1597-S1612 WeakPolarHBondContact O-CA 3.43Å; A1597-S1612 WeakPolarHBondContact O-CB 3.35Å
1598R85Confident81.5Confident57 Ų5727.7 Ų27.722%0.21515%0.148CC..EExtended strand (participates in β ladder)trans-137.1145179.5-74.2169.858.3-126.47.5110.3E1362 E1406 F1408 G1409E1362-R1598 IonicContact OE1-CZ 3.99Å; E1362-R1598 IonicContact OE1-NH2 2.79Å; E1362-R1598 PolarHBondContact OE1-NH2 2.84Å; E1362-R1598 IonicContact OE2-NH2 3.51Å; E1362-R1598 PolarHBondContact OE2-NH2 2.77Å; E1406-R1598 WeakPolarHBondContact OE1-CD 3.34Å; E1406-R1598 IonicContact OE1-CZ 3.05Å; E1406-R1598 IonicContact OE1-NE 2.68Å; E1406-R1598 IonicContact OE1-NH1 3.95Å; E1406-R1598 PolarHBondContact OE1-NH1 2.9Å; E1406-R1598 IonicContact OE2-NH1 3.39Å; F1408-R1598 HydrophobicContact CD2-CB 3.9Å; F1408-R1598 HydrophobicContact CE2-CB 4.09Å; G1409-R1598 PolarHBondContact N-O 3.03Å
1599L87.6Confident81.8Confident0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-126.4138-177.9-61173.1000109.8G1409 C1592 C1596 I1610 G1611 P1613 L1616 L1697G1409-L1599 CarbonylContact O-C 3.57Å; G1409-L1599 VanDerWaalsContact O-CA 3.3Å; G1409-L1599 WeakPolarHBondContact O-CA 3.15Å; C1592-L1599 HydrophobicContact CB-CD1 4.01Å; C1592-L1599 HydrophobicContact CB-CD2 3.51Å; C1592-L1599 HydrophobicContact CB-CG 4.42Å; C1592-L1599 VanDerWaalsContact SG-CD2 3.6Å; C1596-L1599 HydrophobicContact CB-CD2 3.37Å; C1596-L1599 HydrophobicContact CB-CG 4.14Å; L1599-I1610 VanDerWaalsContact O-CA 3.26Å; L1599-I1610 WeakPolarHBondContact O-CA 3.23Å; L1599-G1611 PolarHBondContact N-O 3.4Å; L1599-G1611 PolarHBondContact O-N 2.67Å; L1599-P1613 HydrophobicContact CD1-CB 4.23Å; L1599-P1613 HydrophobicContact CD1-CG 3.79Å; L1599-P1613 HydrophobicContact CG-CG 4.39Å; L1599-L1616 HydrophobicContact CB-CD1 4.09Å; L1599-L1616 HydrophobicContact CD1-CD1 4.38Å; L1599-L1697 HydrophobicContact CD1-CD2 3.88Å
1600A88.7Confident82.3Confident0 Ų026.4 Ų26.40%014%0.139CC..EExtended strand (participates in β ladder)trans-111.9125.5169.100000110.1F1408 G1409 L1410 L1411 V1607 C1609 I1610F1408-A1600 HydrophobicContact CE1-CB 3.76Å; F1408-A1600 HydrophobicContact CZ-CB 3.63Å; G1409-A1600 PolarHBondContact O-N 3.32Å; L1410-A1600 HydrophobicContact CD1-CB 4.04Å; L1411-A1600 PolarHBondContact N-O 2.91Å; A1600-V1607 HydrophobicContact CB-CG1 4.12Å; A1600-C1609 WeakPolarHBondContact CA-O 3.07Å; A1600-I1610 HydrophobicContact CB-CG1 3.89Å
1601V87.1Confident82.6Confident2 Ų224.6 Ų24.61%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-93.1111.8177.9-179.60000109.9L1411 V1603 K1608 C1609 F1701L1411-V1601 HydrophobicContact CB-CG2 4.48Å; L1411-V1601 HydrophobicContact CD2-CG2 4.21Å; V1601-V1603 HydrophobicContact CG1-CG2 4.04Å; V1601-K1608 PolarHBondContact O-N 2.67Å; V1601-C1609 VanDerWaalsContact CB-SG 3.55Å; V1601-C1609 WeakPolarHBondContact CG2-SG 3.27Å; V1601-C1609 PolarHBondContact N-O 3.4Å; V1601-F1701 HydrophobicContact CG1-CD2 3.94Å; V1601-F1701 HydrophobicContact CG1-CE2 3.72Å; V1601-F1701 HydrophobicContact CG2-CD2 4.33Å
1602L86.1Confident82.7Confident0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-94.1125.5178.7-166.476.9000110.6V1398 L1410 L1411 G1412 A1416 G1417 K1418 E1606 V1607V1398-L1602 HydrophobicContact CG2-CD1 3.74Å; L1410-L1602 HydrophobicContact CD1-CB 4.22Å; L1410-L1602 HydrophobicContact CD2-CD2 4.46Å; L1411-L1602 WeakPolarHBondContact O-CB 3.18Å; L1411-L1602 PolarHBondContact O-N 3.48Å; G1412-L1602 WeakPolarHBondContact CA-O 3.48Å; A1416-L1602 HydrophobicContact CB-CB 4.33Å; A1416-L1602 HydrophobicContact CB-CD2 4.11Å; A1416-L1602 HydrophobicContact CB-CG 4.18Å; A1416-L1602 VanDerWaalsContact CB-O 3.27Å; A1416-L1602 WeakPolarHBondContact CB-O 3.28Å; A1416-L1602 WeakPolarHBondContact O-CD2 3.37Å; A1416-L1602 WeakPolarHBondContact O-CG 3.5Å; G1417-L1602 VanDerWaalsContact C-CD2 3.47Å; K1418-L1602 HydrophobicContact CG-CD2 4.05Å; L1602-E1606 CarbonylContact C-O 3.49Å; L1602-E1606 WeakPolarHBondContact CA-O 3.42Å; L1602-E1606 WeakPolarHBondContact CD1-O 3.45Å; L1602-V1607 HydrophobicContact CD1-CG2 4.06Å
1603V82.1Confident82.6Confident17 Ų1724.9 Ų24.910%0.10313%0.134CC..EExtended strand (participates in β ladder)trans-134.8124.1-179.6-179.80000108.6V1601 G1605 E1606 K1608 V1705V1601-V1603 HydrophobicContact CG1-CG2 4.04Å; V1603-G1605 PolarHBondContact O-N 3.11Å; V1603-E1606 PolarHBondContact N-O 3.15Å; V1603-E1606 PolarHBondContact O-N 3.33Å; V1603-K1608 HydrophobicContact CG2-CB 4.35Å; V1603-K1608 HydrophobicContact CG2-CD 4.27Å; V1603-V1705 HydrophobicContact CG2-CG1 4.48Å; V1603-V1705 HydrophobicContact CG2-CG2 4.05Å
1604H81.1Confident82.5Confident133 Ų13323.1 Ų23.162%0.61613%0.126SC*.THydrogen-bonded Turntrans50.334178.5-61.3106.9000115.4K1396K1396-H1604 WeakPolarHBondContact CE-O 3.37Å
1605G82.8Confident82.7Confident0 Ų024.5 Ų24.50%012%0.124CC..THydrogen-bonded Turntrans89.1-0.9179.400000115.2A1394 K1396 V1398 A1416 V1603A1394-G1605 WeakPolarHBondContact O-CA 3.26Å; K1396-G1605 PolarHBondContact N-O 3.2Å; V1398-G1605 WeakPolarHBondContact CG2-O 3.4Å; A1416-G1605 WeakPolarHBondContact O-CA 3.37Å; A1416-G1605 PolarHBondContact O-N 3.25Å; V1603-G1605 PolarHBondContact O-N 3.11Å
1606E83.8Confident82.7Confident67 Ų6724 Ų2431%0.31312%0.121SC..EExtended strand (participates in β ladder)trans-119.3148.1-177.9-67.7173.7-157.200111.5K1396 L1602 V1603K1396-E1606 HydrophobicContact CB-CG 3.71Å; K1396-E1606 HydrophobicContact CD-CG 3.93Å; K1396-E1606 WeakPolarHBondContact CD-OE1 3.41Å; K1396-E1606 HydrophobicContact CG-CG 4.32Å; K1396-E1606 IonicContact NZ-OE1 3.27Å; L1602-E1606 CarbonylContact C-O 3.49Å; L1602-E1606 WeakPolarHBondContact CA-O 3.42Å; L1602-E1606 WeakPolarHBondContact CD1-O 3.45Å; V1603-E1606 PolarHBondContact N-O 3.15Å; V1603-E1606 PolarHBondContact O-N 3.33Å
1607V85.1Confident82.4Confident9 Ų924.3 Ų24.36%0.05512%0.121CC..EExtended strand (participates in β ladder)trans-83.1119174.5-178.40000108.7V1359 V1398 A1600 L1602 I1610V1359-V1607 HydrophobicContact CG1-CB 4.49Å; V1359-V1607 HydrophobicContact CG1-CG1 4.46Å; V1359-V1607 HydrophobicContact CG2-CG1 4.01Å; V1398-V1607 HydrophobicContact CB-CG2 4.42Å; V1398-V1607 HydrophobicContact CG1-CG2 3.8Å; V1398-V1607 HydrophobicContact CG2-CG2 4.22Å; A1600-V1607 HydrophobicContact CB-CG1 4.12Å; L1602-V1607 HydrophobicContact CD1-CG2 4.06Å; V1607-I1610 HydrophobicContact CG1-CD1 3.87Å; V1607-I1610 HydrophobicContact CG1-CG1 3.61Å
1608K82.8Confident82.2Confident62 Ų6224.8 Ų24.827%0.2713%0.125SC..EExtended strand (participates in β ladder)trans-91.9-43.1-176.3-168.8168.6179.9-176.80112.7S1356 V1601 V1603 C1704 V1705S1356-K1608 PolarHBondContact N-O 2.84Å; S1356-K1608 PolarHBondContact OG-O 3.38Å; V1601-K1608 PolarHBondContact O-N 2.67Å; V1603-K1608 HydrophobicContact CG2-CB 4.35Å; V1603-K1608 HydrophobicContact CG2-CD 4.27Å; K1608-C1704 WeakPolarHBondContact CD-O 3.2Å; K1608-C1704 WeakPolarHBondContact CE-O 3.42Å; K1608-C1704 PolarHBondContact NZ-O 2.73Å; K1608-V1705 PolarHBondContact NZ-O 3.04Å
1609C82.5Confident81.6Confident1 Ų127.2 Ų27.21%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-145.5152176.4560000111.8A1600 V1601 L1616 Y1620A1600-C1609 WeakPolarHBondContact CA-O 3.07Å; V1601-C1609 VanDerWaalsContact CB-SG 3.55Å; V1601-C1609 WeakPolarHBondContact CG2-SG 3.27Å; V1601-C1609 PolarHBondContact N-O 3.4Å; C1609-L1616 HydrophobicContact CB-CD2 4.26Å; C1609-Y1620 HydrophobicContact CB-CE2 3.81Å; C1609-Y1620 WeakPolarHBondContact CB-OH 3.2Å
1610I85.8Confident81.1Confident5 Ų529.8 Ų29.83%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-133.5134.8175-61.3173.7000108.3N1358 V1359 E1362 F1408 L1599 A1600 V1607N1358-I1610 WeakPolarHBondContact CB-O 3.41Å; N1358-I1610 PolarHBondContact ND2-O 3.1Å; V1359-I1610 HydrophobicContact CG2-CD1 4.32Å; V1359-I1610 HydrophobicContact CG2-CG1 4.04Å; E1362-I1610 HydrophobicContact CB-CD1 3.89Å; E1362-I1610 HydrophobicContact CG-CD1 3.76Å; F1408-I1610 HydrophobicContact CE2-CG2 4.41Å; L1599-I1610 VanDerWaalsContact O-CA 3.26Å; L1599-I1610 WeakPolarHBondContact O-CA 3.23Å; A1600-I1610 HydrophobicContact CB-CG1 3.89Å; V1607-I1610 HydrophobicContact CG1-CD1 3.87Å; V1607-I1610 HydrophobicContact CG1-CG1 3.61Å
1611G81.3Confident80.3Confident4 Ų430.5 Ų30.54%0.04115%0.154CC..EExtended strand (participates in β ladder)trans174.1175.7176.500000112.9L1599L1599-G1611 PolarHBondContact N-O 3.4Å; L1599-G1611 PolarHBondContact O-N 2.67Å
1612S80.6Confident79.6Confident4 Ų436.5 Ų36.53%0.02818%0.18CC..  trans-69.1158.2169.8800000111.3A1597 Q1614 Q1615 L1616A1597-S1612 WeakPolarHBondContact O-CA 3.43Å; A1597-S1612 WeakPolarHBondContact O-CB 3.35Å; S1612-Q1614 PolarHBondContact O-N 2.74Å; S1612-Q1615 PolarHBondContact O-N 2.86Å; S1612-Q1615 WeakPolarHBondContact OG-CB 3.42Å; S1612-Q1615 WeakPolarHBondContact OG-CG 3.25Å; S1612-Q1615 PolarHBondContact OG-N 3.03Å; S1612-Q1615 VanDerWaalsContact OG-N 3.17Å; S1612-L1616 WeakPolarHBondContact O-CG 3.42Å; S1612-L1616 PolarHBondContact O-N 2.93Å
1613P80Confident79.3Confident3 Ų336.5 Ų36.52%0.01918%0.18CC..Hα-helixtrans-51.2-42.1177.9-25.231.8000113.5E1593 L1599 L1616 K1617 L1697E1593-P1613 HydrophobicContact CG-CB 4.37Å; L1599-P1613 HydrophobicContact CD1-CB 4.23Å; L1599-P1613 HydrophobicContact CD1-CG 3.79Å; L1599-P1613 HydrophobicContact CG-CG 4.39Å; P1613-L1616 PolarHBondContact O-N 3.15Å; P1613-K1617 WeakPolarHBondContact O-CG 3.49Å; P1613-K1617 PolarHBondContact O-N 3.06Å; P1613-L1697 HydrophobicContact CB-CD1 4.43Å; P1613-L1697 HydrophobicContact CB-CD2 4.27Å
1614Q75.2Confident79.4Confident4 Ų436.7 Ų36.72%0.01918%0.179CC..Hα-helixtrans-76.4-38.4179.9-1706612.800112.9I771 S1612 L1616 K1617 A1618I771-Q1614 HydrophobicContact CD1-CB 3.19Å; I771-Q1614 HydrophobicContact CD1-CG 3.52Å; I771-Q1614 HydrophobicContact CG1-CB 4.25Å; I771-Q1614 HydrophobicContact CG1-CG 4.12Å; S1612-Q1614 PolarHBondContact O-N 2.74Å; Q1614-L1616 PolarHBondContact O-N 2.9Å; Q1614-K1617 PolarHBondContact O-N 3.32Å; Q1614-K1617 VanDerWaalsContact O-N 3.13Å; Q1614-A1618 WeakPolarHBondContact O-CB 3.36Å; Q1614-A1618 PolarHBondContact O-N 3.48Å
1615Q75.5Confident79.5Confident79 Ų7931.3 Ų31.337%0.36916%0.155SC..Hα-helixtrans-58.2-37.4172.3-76.1171.1-10.600110.7S1612 K1619S1612-Q1615 PolarHBondContact O-N 2.86Å; S1612-Q1615 WeakPolarHBondContact OG-CB 3.42Å; S1612-Q1615 WeakPolarHBondContact OG-CG 3.25Å; S1612-Q1615 PolarHBondContact OG-N 3.03Å; S1612-Q1615 VanDerWaalsContact OG-N 3.17Å; Q1615-K1619 WeakPolarHBondContact O-CB 3.13Å; Q1615-K1619 PolarHBondContact O-N 2.94Å
1616L79.4Confident79.6Confident5 Ų531.3 Ų31.33%0.02616%0.155CC..Hα-helixtrans-68.7-45.9173.9-65.7174.9000111.6L1599 C1609 S1612 P1613 Q1614 A1618 K1619 Y1620 T1700L1599-L1616 HydrophobicContact CB-CD1 4.09Å; L1599-L1616 HydrophobicContact CD1-CD1 4.38Å; C1609-L1616 HydrophobicContact CB-CD2 4.26Å; S1612-L1616 WeakPolarHBondContact O-CG 3.42Å; S1612-L1616 PolarHBondContact O-N 2.93Å; P1613-L1616 PolarHBondContact O-N 3.15Å; Q1614-L1616 PolarHBondContact O-N 2.9Å; L1616-A1618 PolarHBondContact O-N 3.27Å; L1616-K1619 PolarHBondContact O-N 3.31Å; L1616-Y1620 HydrophobicContact CD2-CD2 3.9Å; L1616-Y1620 HydrophobicContact CD2-CE2 3.78Å; L1616-Y1620 WeakPolarHBondContact O-CB 3.39Å; L1616-Y1620 PolarHBondContact O-N 3.27Å; L1616-T1700 HydrophobicContact CB-CG2 4.39Å; L1616-T1700 WeakPolarHBondContact O-CG2 3Å
1617K80.3Confident79.5Confident15 Ų1529.1 Ų29.17%0.06515%0.145CC..Hα-helixtrans-59.1-42.9176.3-74.4176.4-175178.20112.4E1593 P1613 Q1614 G1621 L1697E1593-K1617 IonicContact OE1-NZ 3.67Å; E1593-K1617 PolarHBondContact OE1-NZ 3.43Å; E1593-K1617 IonicContact OE2-NZ 2.68Å; E1593-K1617 PolarHBondContact OE2-NZ 3.46Å; P1613-K1617 WeakPolarHBondContact O-CG 3.49Å; P1613-K1617 PolarHBondContact O-N 3.06Å; Q1614-K1617 PolarHBondContact O-N 3.32Å; Q1614-K1617 VanDerWaalsContact O-N 3.13Å; K1617-G1621 WeakPolarHBondContact O-CA 3.49Å; K1617-G1621 PolarHBondContact O-N 3.28Å; K1617-L1697 HydrophobicContact CG-CD1 4.37Å
1618A73.2Confident79.4Confident53 Ų5328.7 Ų28.744%0.43814%0.143SC..Hα-helixtrans-68.8-41.2178.400000112Q1614 L1616Q1614-A1618 WeakPolarHBondContact O-CB 3.36Å; Q1614-A1618 PolarHBondContact O-N 3.48Å; L1616-A1618 PolarHBondContact O-N 3.27Å
1619K73.4Confident79.3Confident109 Ų10927.6 Ų27.647%0.47414%0.138SC..Hα-helixtrans-79.3-35.2-176.2-173.4170.6-175.5168.40114.1Q1615 L1616Q1615-K1619 WeakPolarHBondContact O-CB 3.13Å; Q1615-K1619 PolarHBondContact O-N 2.94Å; L1616-K1619 PolarHBondContact O-N 3.31Å
1620Y76.1Confident79.2Confident54 Ų5427.6 Ų27.621%0.21214%0.138CC..Hα-helixtrans-119.6-3.1-172.5-62.2-76.6000113.9S1356 C1609 L1616 T1703 C1704S1356-Y1620 WeakPolarHBondContact CB-OH 3.28Å; C1609-Y1620 HydrophobicContact CB-CE2 3.81Å; C1609-Y1620 WeakPolarHBondContact CB-OH 3.2Å; L1616-Y1620 HydrophobicContact CD2-CD2 3.9Å; L1616-Y1620 HydrophobicContact CD2-CE2 3.78Å; L1616-Y1620 WeakPolarHBondContact O-CB 3.39Å; L1616-Y1620 PolarHBondContact O-N 3.27Å; Y1620-T1703 WeakPolarHBondContact O-CG2 3.47Å; Y1620-C1704 WeakPolarHBondContact CB-SG 3.4Å; Y1620-C1704 WeakPolarHBondContact CD2-SG 3.26Å
1621G71.5Confident78.8Confident14 Ų1431 Ų3114%0.14416%0.159CC..  trans-70.7138.5173.500000110.9K1617 F1666K1617-G1621 WeakPolarHBondContact O-CA 3.49Å; K1617-G1621 PolarHBondContact O-N 3.28Å; G1621-F1666 WeakPolarHBondContact O-CD2 3.35Å; G1621-F1666 WeakPolarHBondContact O-CE2 3.47Å
1622K72.4Confident78.6Confident129 Ų12932.4 Ų32.456%0.56117%0.167SC*.  trans-79.6-21-177.1-64.9-176.1177.5-179.70113.5L1663 T1703K1622-L1663 HydrophobicContact CB-CD2 3.59Å; K1622-L1663 HydrophobicContact CD-CD2 4.41Å; K1622-T1703 WeakPolarHBondContact CE-OG1 3.44Å; K1622-T1703 HydrophobicContact CG-CG2 4.21Å
1623G80.7Confident78.4Confident0 Ų037.6 Ų37.60%019%0.191CC..  trans158.9-179.7-175.300000113.5L1663 I1664 P1695G1623-L1663 WeakPolarHBondContact O-CD1 3.4Å; G1623-I1664 CarbonylContact C-O 3.54Å; G1623-I1664 VanDerWaalsContact C-O 3.26Å; G1623-I1664 WeakPolarHBondContact CA-O 3.29Å; G1623-P1695 WeakPolarHBondContact O-CD 3.46Å; G1623-P1695 VanDerWaalsContact O-CG 3.32Å; G1623-P1695 WeakPolarHBondContact O-CG 3.31Å
1624Y84.3Confident78.4Confident21 Ų2145.2 Ų45.28%0.08223%0.227CC..EExtended strand (participates in β ladder)trans-74.1140.3173.4-51.2-81.6000111.8L1663 I1664 F1666 S1669 W1671 L1674Y1624-L1663 CarbonylContact O-C 3.49Å; Y1624-L1663 WeakPolarHBondContact O-CA 3.38Å; Y1624-I1664 PolarHBondContact N-O 2.87Å; Y1624-I1664 PolarHBondContact O-N 2.74Å; Y1624-F1666 AromaticContact CD1-CD1 3.94Å; Y1624-F1666 HydrophobicContact CD1-CD1 3.94Å; Y1624-F1666 AromaticContact CD1-CE1 3.76Å; Y1624-F1666 HydrophobicContact CD1-CE1 3.76Å; Y1624-F1666 AromaticContact CD2-CD1 3.87Å; Y1624-F1666 HydrophobicContact CD2-CD1 3.87Å; Y1624-F1666 HydrophobicContact CD2-CE1 4.4Å; Y1624-F1666 AromaticContact CE1-CD1 3.68Å; Y1624-F1666 HydrophobicContact CE1-CD1 3.68Å; Y1624-F1666 AromaticContact CE1-CE1 3.75Å; Y1624-F1666 HydrophobicContact CE1-CE1 3.75Å; Y1624-F1666 AromaticContact CE2-CD1 3.64Å; Y1624-F1666 HydrophobicContact CE2-CD1 3.64Å; Y1624-F1666 HydrophobicContact CE2-CE1 4.43Å; Y1624-F1666 HydrophobicContact CG-CD1 4.04Å; Y1624-F1666 HydrophobicContact CG-CE1 4.11Å; Y1624-F1666 AromaticContact CZ-CD1 3.55Å; Y1624-S1669 VanDerWaalsContact CE2-O 3.28Å; Y1624-S1669 WeakPolarHBondContact CE2-O 3.49Å; Y1624-S1669 PolarHBondContact OH-O 3.15Å; Y1624-W1671 HydrophobicContact CD1-CD2 4.41Å; Y1624-W1671 HydrophobicContact CD1-CE3 4.46Å; Y1624-W1671 AromaticContact CD1-CH2 3.82Å; Y1624-W1671 HydrophobicContact CD1-CH2 3.82Å; Y1624-W1671 AromaticContact CD1-CZ2 3.75Å; Y1624-W1671 HydrophobicContact CD1-CZ2 3.75Å; Y1624-W1671 HydrophobicContact CD1-CZ3 4.19Å; Y1624-W1671 AromaticContact CE1-CD2 3.97Å; Y1624-W1671 HydrophobicContact CE1-CD2 3.97Å; Y1624-W1671 AromaticContact CE1-CE2 3.54Å; Y1624-W1671 HydrophobicContact CE1-CE3 4.45Å; Y1624-W1671 HydrophobicContact CE1-CG 4.44Å; Y1624-W1671 HydrophobicContact CE1-CH2 4.18Å; Y1624-W1671 AromaticContact CE1-CZ2 3.66Å; Y1624-W1671 HydrophobicContact CE1-CZ2 3.66Å; Y1624-W1671 AromaticContact CE1-NE1 3.79Å; Y1624-L1674 HydrophobicContact CD1-CD1 3.99Å; Y1624-L1674 HydrophobicContact CD2-CD1 3.44Å; Y1624-L1674 VanDerWaalsContact CD2-CD1 3.44Å; Y1624-L1674 HydrophobicContact CE1-CD1 4.2Å; Y1624-L1674 HydrophobicContact CE2-CD1 3.65Å; Y1624-L1674 HydrophobicContact CG-CD1 3.6Å
1625L82.3Confident78.8Confident19 Ų1950 Ų5010%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-96.7119176.7-17968000110.3I1627 S1693L1625-I1627 HydrophobicContact CD2-CD1 4.41Å; L1625-I1627 HydrophobicContact CD2-CG1 4.5Å; L1625-I1627 HydrophobicContact CG-CG1 4.33Å; L1625-S1693 PolarHBondContact N-O 2.86Å; L1625-S1693 PolarHBondContact O-N 2.95Å
1626L86Confident79.2Confident0 Ų046.7 Ų46.70%023%0.23CC..EExtended strand (participates in β ladder)trans-105.3122.1173.7173.765000109.9F1639 I1643 H1661 C1662 I1664 L1678 Y1690 M1691 L1692L1626-F1639 HydrophobicContact CD2-CE1 4.39Å; L1626-F1639 HydrophobicContact CD2-CZ 4.18Å; L1626-I1643 HydrophobicContact CD2-CD1 3.46Å; L1626-I1643 VanDerWaalsContact CD2-CD1 3.46Å; L1626-H1661 CarbonylContact O-C 3.46Å; L1626-H1661 WeakPolarHBondContact O-CA 3.28Å; L1626-C1662 HydrophobicContact CB-CB 4.37Å; L1626-C1662 PolarHBondContact N-O 3.03Å; L1626-C1662 PolarHBondContact O-N 3.16Å; L1626-I1664 HydrophobicContact CB-CD1 4.29Å; L1626-I1664 HydrophobicContact CD2-CD1 4.22Å; L1626-L1678 HydrophobicContact CD1-CD1 3.64Å; L1626-L1678 HydrophobicContact CD1-CD2 4.05Å; L1626-L1678 HydrophobicContact CD2-CD1 4.33Å; L1626-L1678 HydrophobicContact CD2-CD2 3.63Å; L1626-Y1690 HydrophobicContact CD1-CD2 4.08Å; L1626-M1691 CarbonylContact C-O 3.32Å; L1626-M1691 WeakPolarHBondContact CA-O 3.21Å; L1626-L1692 HydrophobicContact CD1-CG 4.19Å
1627I80.9Confident79.5Confident22 Ų2249.6 Ų49.611%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-110.5113.7172.7-54.8177000108L1625 M1660 Y1690 M1691L1625-I1627 HydrophobicContact CD2-CD1 4.41Å; L1625-I1627 HydrophobicContact CD2-CG1 4.5Å; L1625-I1627 HydrophobicContact CG-CG1 4.33Å; I1627-M1660 CarbonylContact C-O 3.52Å; I1627-M1660 WeakPolarHBondContact CA-O 3.43Å; I1627-Y1690 CarbonylContact O-C 3.59Å; I1627-Y1690 VanDerWaalsContact O-CA 3.28Å; I1627-Y1690 WeakPolarHBondContact O-CA 3.31Å; I1627-M1691 HydrophobicContact CB-CB 4.41Å; I1627-M1691 PolarHBondContact N-O 2.79Å; I1627-M1691 PolarHBondContact O-N 2.91Å
1628A84.3Confident79.7Confident0 Ų050.3 Ų50.30%026%0.261CS..EExtended strand (participates in β ladder)trans-113.1130.4-175.900000110.8F1630 F1639 Q1659 M1660 L1687A1628-F1630 HydrophobicContact CB-CE2 3.88Å; A1628-F1630 HydrophobicContact CB-CZ 3.77Å; A1628-F1639 HydrophobicContact CB-CE1 3.74Å; A1628-F1639 HydrophobicContact CB-CZ 4.23Å; A1628-Q1659 CarbonylContact O-C 3.57Å; A1628-Q1659 VanDerWaalsContact O-CA 3.24Å; A1628-Q1659 WeakPolarHBondContact O-CA 3.19Å; A1628-M1660 PolarHBondContact N-O 3.47Å; A1628-M1660 PolarHBondContact O-N 3.07Å; A1628-L1687 HydrophobicContact CB-CD2 3.55Å
1629K79.1Confident80.2Confident39 Ų3947.8 Ų47.817%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-109.2131.4175.1-175.1177-179174.80110.2F756 R1658 Q1659 L1687 V1688 D1689F756-K1629 HydrophobicContact CD1-CD 3.53Å; F756-K1629 HydrophobicContact CE1-CD 3.86Å; F756-K1629 HydrophobicContact CG-CD 3.93Å; K1629-R1658 CarbonylContact C-O 3.58Å; K1629-R1658 WeakPolarHBondContact CA-O 3.44Å; K1629-Q1659 HydrophobicContact CB-CG 4.17Å; K1629-Q1659 HydrophobicContact CG-CG 4.05Å; K1629-L1687 CarbonylContact O-C 3.39Å; K1629-L1687 WeakPolarHBondContact O-CA 3.23Å; K1629-V1688 HydrophobicContact CD-CG1 4.4Å; K1629-V1688 HydrophobicContact CG-CB 4.24Å; K1629-V1688 PolarHBondContact O-N 2.8Å; K1629-D1689 PolarHBondContact N-O 3.17Å; K1629-D1689 PolarHBondContact O-N 2.97Å
1630F82Confident80.7Confident1 Ų144.1 Ų44.10%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-108.4155.9-176.5-56.4-88.3000112.2A1628 S1632 M1636 F1639 R1658 M1660 G1686 L1687A1628-F1630 HydrophobicContact CB-CE2 3.88Å; A1628-F1630 HydrophobicContact CB-CZ 3.77Å; F1630-S1632 VanDerWaalsContact C-N 3.32Å; F1630-S1632 WeakPolarHBondContact CB-O 3.29Å; F1630-M1636 HydrophobicContact CB-CG 4.44Å; F1630-M1636 HydrophobicContact CD1-CG 4.31Å; F1630-M1636 HydrophobicContact CD2-CE 4.48Å; F1630-M1636 HydrophobicContact CD2-CG 3.48Å; F1630-M1636 VanDerWaalsContact CD2-CG 3.48Å; F1630-M1636 HydrophobicContact CD2-SD 4.07Å; F1630-M1636 HydrophobicContact CE2-CE 4.28Å; F1630-M1636 HydrophobicContact CE2-CG 3.75Å; F1630-M1636 HydrophobicContact CE2-SD 4.42Å; F1630-M1636 HydrophobicContact CG-CG 3.8Å; F1630-M1636 HydrophobicContact CZ-CG 4.26Å; F1630-F1639 HydrophobicContact CE1-CB 3.72Å; F1630-F1639 AromaticContact CE1-CD1 3.74Å; F1630-F1639 HydrophobicContact CE1-CD1 3.74Å; F1630-F1639 HydrophobicContact CE1-CD2 4.46Å; F1630-F1639 HydrophobicContact CE1-CE1 4.37Å; F1630-F1639 AromaticContact CE1-CG 3.73Å; F1630-F1639 HydrophobicContact CE1-CG 3.73Å; F1630-F1639 HydrophobicContact CZ-CB 4.1Å; F1630-F1639 AromaticContact CZ-CD1 3.37Å; F1630-F1639 HydrophobicContact CZ-CD1 3.37Å; F1630-F1639 AromaticContact CZ-CE1 3.86Å; F1630-F1639 HydrophobicContact CZ-CE1 3.86Å; F1630-F1639 AromaticContact CZ-CG 3.88Å; F1630-F1639 HydrophobicContact CZ-CG 3.88Å; F1630-R1658 WeakPolarHBondContact CD2-O 3.33Å; F1630-R1658 PolarHBondContact N-O 3.49Å; F1630-M1660 HydrophobicContact CE2-CB 3.71Å; F1630-M1660 HydrophobicContact CZ-CB 4.35Å; F1630-G1686 WeakPolarHBondContact CA-O 3.46Å; F1630-L1687 HydrophobicContact CD1-CD2 4.02Å; F1630-L1687 HydrophobicContact CD1-CG 4.37Å; F1630-L1687 HydrophobicContact CE1-CD2 3.57Å; F1630-L1687 HydrophobicContact CE1-CG 4.06Å; F1630-L1687 HydrophobicContact CZ-CD2 3.86Å
1631V76.8Confident81.1Confident77 Ų7749.6 Ų49.647%0.46725%0.245SC..SBendtrans-67-40171.81760000110Y1635 R1658 G1686 V1688V1631-Y1635 HydrophobicContact CB-CE2 4.44Å; V1631-R1658 WeakPolarHBondContact O-CD 3.24Å; V1631-R1658 PolarHBondContact O-NE 3.48Å; V1631-R1658 PolarHBondContact O-NH1 2.85Å; V1631-G1686 WeakPolarHBondContact CG2-O 3.43Å; V1631-G1686 PolarHBondContact N-O 3.41Å; V1631-V1688 HydrophobicContact CB-CG2 4.16Å; V1631-V1688 HydrophobicContact CG2-CG2 3.44Å; V1631-V1688 VanDerWaalsContact CG2-CG2 3.44Å
1632S76.4Confident81.7Confident32 Ų3250 Ų5022%0.22425%0.246CC..SBendtrans-143.2151.2-178.9-176.60000110.1F1630 E1634 Y1635F1630-S1632 VanDerWaalsContact C-N 3.32Å; F1630-S1632 WeakPolarHBondContact CB-O 3.29Å; S1632-E1634 PolarHBondContact O-N 3Å; S1632-E1634 PolarHBondContact OG-N 3.02Å; S1632-Y1635 PolarHBondContact O-N 2.94Å
1633E76.8Confident82.3Confident113 Ų11344 Ų4453%0.52822%0.22SC..G310 helixtrans-63.4-23.1175.6-67.8-179-175.400112.3Y1635 M1636 G1657 R1658E1633-Y1635 PolarHBondContact O-N 3.36Å; E1633-M1636 HydrophobicContact CB-SD 4.41Å; E1633-M1636 HydrophobicContact CG-SD 4.38Å; E1633-M1636 WeakPolarHBondContact O-CB 3.42Å; E1633-M1636 WeakPolarHBondContact O-CG 3.38Å; E1633-M1636 PolarHBondContact O-N 2.68Å; E1633-M1636 VanDerWaalsContact O-N 3.13Å; E1633-G1657 VanDerWaalsContact OE1-C 3.25Å; E1633-G1657 WeakPolarHBondContact OE1-CA 3.09Å; E1633-R1658 HydrophobicContact CG-CG 4.07Å
1634E80.4Confident82.4Confident163 Ų16349 Ų4976%0.76224%0.243SC*.G310 helixtrans-60.8-27.3179.1-66.5177.9168.300113.8S1632 P1637S1632-E1634 PolarHBondContact O-N 3Å; S1632-E1634 PolarHBondContact OG-N 3.02Å; E1634-P1637 WeakPolarHBondContact O-CD 3.41Å
1635Y84Confident82.4Confident106 Ų10655.3 Ų55.342%0.41627%0.273SS..G310 helixtrans-81-17.1179.9-65.4-72000113.6V1631 S1632 E1633 G1638 F1639 H1685V1631-Y1635 HydrophobicContact CB-CE2 4.44Å; S1632-Y1635 PolarHBondContact O-N 2.94Å; E1633-Y1635 PolarHBondContact O-N 3.36Å; Y1635-G1638 PolarHBondContact O-N 3.29Å; Y1635-F1639 PolarHBondContact O-N 2.99Å; Y1635-F1639 VanDerWaalsContact O-N 3.16Å; Y1635-H1685 WeakPolarHBondContact CB-O 3.24Å
1636M84Confident82.5Confident9 Ų957.2 Ų57.24%0.04429%0.286CS..Hα-helixtrans-61-47-173.6-64.5-175.460.700113.6F1630 E1633 G1638 F1639 M1640 I1655 M1660F1630-M1636 HydrophobicContact CB-CG 4.44Å; F1630-M1636 HydrophobicContact CD1-CG 4.31Å; F1630-M1636 HydrophobicContact CD2-CE 4.48Å; F1630-M1636 HydrophobicContact CD2-CG 3.48Å; F1630-M1636 VanDerWaalsContact CD2-CG 3.48Å; F1630-M1636 HydrophobicContact CD2-SD 4.07Å; F1630-M1636 HydrophobicContact CE2-CE 4.28Å; F1630-M1636 HydrophobicContact CE2-CG 3.75Å; F1630-M1636 HydrophobicContact CE2-SD 4.42Å; F1630-M1636 HydrophobicContact CG-CG 3.8Å; F1630-M1636 HydrophobicContact CZ-CG 4.26Å; E1633-M1636 HydrophobicContact CB-SD 4.41Å; E1633-M1636 HydrophobicContact CG-SD 4.38Å; E1633-M1636 WeakPolarHBondContact O-CB 3.42Å; E1633-M1636 WeakPolarHBondContact O-CG 3.38Å; E1633-M1636 PolarHBondContact O-N 2.68Å; E1633-M1636 VanDerWaalsContact O-N 3.13Å; M1636-G1638 VanDerWaalsContact C-N 3.28Å; M1636-G1638 PolarHBondContact O-N 3.32Å; M1636-F1639 PolarHBondContact O-N 3.44Å; M1636-M1640 HydrophobicContact CB-CE 4.03Å; M1636-M1640 HydrophobicContact CE-CE 3.88Å; M1636-M1640 VanDerWaalsContact O-CG 3.26Å; M1636-M1640 WeakPolarHBondContact O-CG 3.39Å; M1636-M1640 PolarHBondContact O-N 3.09Å; M1636-I1655 HydrophobicContact CE-CB 4.14Å; M1636-I1655 HydrophobicContact CE-CD1 4.23Å; M1636-I1655 HydrophobicContact CE-CG1 3.82Å; M1636-I1655 HydrophobicContact CE-CG2 3.37Å; M1636-I1655 HydrophobicContact SD-CG2 4.19Å; M1636-M1660 HydrophobicContact CE-CB 3.73Å; M1636-M1660 HydrophobicContact CE-CG 4.16Å; M1636-M1660 HydrophobicContact CE-SD 4.48Å
1637P84.4Confident82.4Confident66 Ų6657.3 Ų57.343%0.42929%0.286SS..Hα-helixtrans-62.7-34.9-179.2-20.433.2000112.8E1634 R1641E1634-P1637 WeakPolarHBondContact O-CD 3.41Å; P1637-R1641 PolarHBondContact O-N 2.83Å
1638G84.1Confident82.2Confident30 Ų3060.4 Ų60.431%0.30931%0.308SS..Hα-helixtrans-67.2-41.3176.600000112Y1635 M1636 S1642 H1685Y1635-G1638 PolarHBondContact O-N 3.29Å; M1636-G1638 VanDerWaalsContact C-N 3.28Å; M1636-G1638 PolarHBondContact O-N 3.32Å; G1638-S1642 PolarHBondContact O-N 3.18Å; G1638-H1685 VanDerWaalsContact C-CE1 3.44Å; G1638-H1685 PolarHBondContact O-CE1 2.94Å; G1638-H1685 VanDerWaalsContact O-CE1 3.23Å
1639F85.2Confident81.9Confident0 Ų067 Ų670%034%0.343CS..Hα-helixtrans-67.1-39175.8-175.6-112.2000112.6L1626 A1628 F1630 Y1635 M1636 R1641 S1642 I1643 M1660 L1678 M1681 H1685 L1687L1626-F1639 HydrophobicContact CD2-CE1 4.39Å; L1626-F1639 HydrophobicContact CD2-CZ 4.18Å; A1628-F1639 HydrophobicContact CB-CE1 3.74Å; A1628-F1639 HydrophobicContact CB-CZ 4.23Å; F1630-F1639 HydrophobicContact CE1-CB 3.72Å; F1630-F1639 AromaticContact CE1-CD1 3.74Å; F1630-F1639 HydrophobicContact CE1-CD1 3.74Å; F1630-F1639 HydrophobicContact CE1-CD2 4.46Å; F1630-F1639 HydrophobicContact CE1-CE1 4.37Å; F1630-F1639 AromaticContact CE1-CG 3.73Å; F1630-F1639 HydrophobicContact CE1-CG 3.73Å; F1630-F1639 HydrophobicContact CZ-CB 4.1Å; F1630-F1639 AromaticContact CZ-CD1 3.37Å; F1630-F1639 HydrophobicContact CZ-CD1 3.37Å; F1630-F1639 AromaticContact CZ-CE1 3.86Å; F1630-F1639 HydrophobicContact CZ-CE1 3.86Å; F1630-F1639 AromaticContact CZ-CG 3.88Å; F1630-F1639 HydrophobicContact CZ-CG 3.88Å; Y1635-F1639 PolarHBondContact O-N 2.99Å; Y1635-F1639 VanDerWaalsContact O-N 3.16Å; M1636-F1639 PolarHBondContact O-N 3.44Å; F1639-R1641 PolarHBondContact O-N 2.8Å; F1639-S1642 PolarHBondContact O-N 3.13Å; F1639-I1643 HydrophobicContact CD1-CD1 3.8Å; F1639-I1643 HydrophobicContact CD1-CG1 4.34Å; F1639-I1643 HydrophobicContact CE1-CD1 3.16Å; F1639-I1643 HydrophobicContact CE1-CG1 4.01Å; F1639-I1643 HydrophobicContact CE2-CD1 4.07Å; F1639-I1643 HydrophobicContact CE2-CG1 4.15Å; F1639-I1643 HydrophobicContact CZ-CD1 3.34Å; F1639-I1643 HydrophobicContact CZ-CG1 3.92Å; F1639-I1643 PolarHBondContact O-N 2.96Å; F1639-M1660 HydrophobicContact CD1-CE 3.33Å; F1639-M1660 HydrophobicContact CD1-SD 4.4Å; F1639-M1660 HydrophobicContact CE1-CE 3.39Å; F1639-L1678 HydrophobicContact CZ-CD2 4.18Å; F1639-M1681 HydrophobicContact CD2-CB 4.43Å; F1639-M1681 HydrophobicContact CD2-SD 4.42Å; F1639-M1681 HydrophobicContact CE2-CB 3.93Å; F1639-M1681 HydrophobicContact CE2-CG 4.47Å; F1639-M1681 HydrophobicContact CE2-SD 3.79Å; F1639-H1685 HydrophobicContact CB-CB 3.98Å; F1639-H1685 HydrophobicContact CD2-CB 3.81Å; F1639-H1685 AromaticContact CD2-CD2 3.85Å; F1639-H1685 AromaticContact CD2-CG 3.8Å; F1639-H1685 HydrophobicContact CG-CB 4.29Å; F1639-H1685 PolarHBondContact N-ND1 2.74Å; F1639-L1687 HydrophobicContact CD2-CD1 4.06Å; F1639-L1687 HydrophobicContact CE1-CD2 4.48Å; F1639-L1687 HydrophobicContact CE2-CD1 3.52Å; F1639-L1687 HydrophobicContact CE2-CD2 4.48Å; F1639-L1687 HydrophobicContact CE2-CG 4.38Å; F1639-L1687 HydrophobicContact CZ-CD1 3.92Å; F1639-L1687 HydrophobicContact CZ-CD2 4.25Å
1640M83.4Confident82Confident32 Ų3265.7 Ų65.716%0.15834%0.339CS..Hα-helixtrans-57.4-47.9176.6-70.7168.9-171.400111.8M1636 S1642 I1643 E1644 I1652 I1655 M1660M1636-M1640 HydrophobicContact CB-CE 4.03Å; M1636-M1640 HydrophobicContact CE-CE 3.88Å; M1636-M1640 VanDerWaalsContact O-CG 3.26Å; M1636-M1640 WeakPolarHBondContact O-CG 3.39Å; M1636-M1640 PolarHBondContact O-N 3.09Å; M1640-S1642 PolarHBondContact O-N 2.83Å; M1640-I1643 PolarHBondContact O-N 2.94Å; M1640-E1644 WeakPolarHBondContact O-CG 3.42Å; M1640-E1644 PolarHBondContact O-N 2.81Å; M1640-I1652 HydrophobicContact CB-CD1 4.16Å; M1640-I1652 HydrophobicContact CE-CD1 4.15Å; M1640-I1652 HydrophobicContact CG-CD1 3.57Å; M1640-I1652 HydrophobicContact SD-CD1 3.63Å; M1640-I1655 HydrophobicContact CE-CD1 3.4Å; M1640-I1655 HydrophobicContact CE-CG1 4.06Å; M1640-M1660 HydrophobicContact CE-CG 4.33Å; M1640-M1660 HydrophobicContact CE-SD 3.48Å; M1640-M1660 WeakPolarHBondContact CE-SD 3.46Å; M1640-M1660 HydrophobicContact CG-CE 4.46Å; M1640-M1660 HydrophobicContact CG-SD 3.52Å; M1640-M1660 VanDerWaalsContact CG-SD 3.52Å; M1640-M1660 HydrophobicContact SD-SD 4.37Å
1641R84Confident81.9Confident168 Ų16869.1 Ų69.163%0.63436%0.36SS*.Hα-helixtrans-60.5-45.3176.2-70.2-174.3-153.6144.76.2112P1637 F1639 I1643 E1644 E1645P1637-R1641 PolarHBondContact O-N 2.83Å; F1639-R1641 PolarHBondContact O-N 2.8Å; R1641-I1643 VanDerWaalsContact C-N 3.31Å; R1641-I1643 PolarHBondContact O-N 2.9Å; R1641-E1644 PolarHBondContact O-N 2.85Å; R1641-E1645 WeakPolarHBondContact O-CB 3.45Å; R1641-E1645 VanDerWaalsContact O-CG 3.27Å; R1641-E1645 WeakPolarHBondContact O-CG 3.33Å; R1641-E1645 PolarHBondContact O-N 2.88Å
1642S84.1Confident81.9Confident23 Ų2368.4 Ų68.416%0.16135%0.353CS..Hα-helixtrans-62.7-38.2-179.8-173.30000112.2G1638 F1639 M1640 T1646 H1685G1638-S1642 PolarHBondContact O-N 3.18Å; F1639-S1642 PolarHBondContact O-N 3.13Å; M1640-S1642 PolarHBondContact O-N 2.83Å; S1642-T1646 WeakPolarHBondContact O-CB 3.39Å; S1642-T1646 PolarHBondContact O-N 3.46Å; S1642-T1646 PolarHBondContact O-OG1 2.77Å; S1642-H1685 WeakPolarHBondContact CB-NE2 3.47Å
1643I84.9Confident81.6Confident3 Ų370.6 Ų70.62%0.01536%0.359CS..Hα-helixtrans-65.6-48.7173.5-79.8-171.1000111.7L1626 F1639 M1640 R1641 E1645 T1646 F1647 S1650 M1660 M1681L1626-I1643 HydrophobicContact CD2-CD1 3.46Å; L1626-I1643 VanDerWaalsContact CD2-CD1 3.46Å; F1639-I1643 HydrophobicContact CD1-CD1 3.8Å; F1639-I1643 HydrophobicContact CD1-CG1 4.34Å; F1639-I1643 HydrophobicContact CE1-CD1 3.16Å; F1639-I1643 HydrophobicContact CE1-CG1 4.01Å; F1639-I1643 HydrophobicContact CE2-CD1 4.07Å; F1639-I1643 HydrophobicContact CE2-CG1 4.15Å; F1639-I1643 HydrophobicContact CZ-CD1 3.34Å; F1639-I1643 HydrophobicContact CZ-CG1 3.92Å; F1639-I1643 PolarHBondContact O-N 2.96Å; M1640-I1643 PolarHBondContact O-N 2.94Å; R1641-I1643 VanDerWaalsContact C-N 3.31Å; R1641-I1643 PolarHBondContact O-N 2.9Å; I1643-E1645 VanDerWaalsContact C-N 3.28Å; I1643-E1645 PolarHBondContact O-N 2.97Å; I1643-T1646 PolarHBondContact O-N 2.82Å; I1643-F1647 PolarHBondContact O-N 2.73Å; I1643-S1650 WeakPolarHBondContact CG2-OG 3.48Å; I1643-M1660 HydrophobicContact CD1-CE 4.01Å; I1643-M1681 HydrophobicContact CG1-SD 4.32Å
1644E83.8Confident81.2Confident104 Ų10468.2 Ų68.249%0.48635%0.348SS..Hα-helixtrans-63-35.8-179-75.1177.7174.900112M1640 R1641M1640-E1644 WeakPolarHBondContact O-CG 3.42Å; M1640-E1644 PolarHBondContact O-N 2.81Å; R1641-E1644 PolarHBondContact O-N 2.85Å
1645E84Confident80.7Confident154 Ų15464.8 Ų64.872%0.7233%0.334SS*.Hα-helixtrans-66.9-41.7173.7-75.1171-17300112.3R1641 I1643R1641-E1645 WeakPolarHBondContact O-CB 3.45Å; R1641-E1645 VanDerWaalsContact O-CG 3.27Å; R1641-E1645 WeakPolarHBondContact O-CG 3.33Å; R1641-E1645 PolarHBondContact O-N 2.88Å; I1643-E1645 VanDerWaalsContact C-N 3.28Å; I1643-E1645 PolarHBondContact O-N 2.97Å
1646T83.4Confident79.8Confident59 Ų5961.2 Ų61.236%0.36232%0.321SS..Hα-helixtrans-83.3-34.6-173.9-49.50000112.7S1642 I1643 V1677 M1681S1642-T1646 WeakPolarHBondContact O-CB 3.39Å; S1642-T1646 PolarHBondContact O-N 3.46Å; S1642-T1646 PolarHBondContact O-OG1 2.77Å; I1643-T1646 PolarHBondContact O-N 2.82Å; T1646-V1677 HydrophobicContact CG2-CG1 3.6Å; T1646-V1677 HydrophobicContact CG2-CG2 4.35Å; T1646-M1681 HydrophobicContact CG2-CE 4.19Å; T1646-M1681 WeakPolarHBondContact OG1-CE 3.35Å
1647F83.7Confident79.1Confident3 Ų362.3 Ų62.31%0.01334%0.335CS..SBendtrans-125.383.3-179.8-58.1-66.3000109.9I1643 N1649 S1650 I1664 A1668 L1674 V1677I1643-F1647 PolarHBondContact O-N 2.73Å; F1647-N1649 PolarHBondContact O-N 3Å; F1647-S1650 VanDerWaalsContact O-CB 3.27Å; F1647-S1650 WeakPolarHBondContact O-CB 3.33Å; F1647-S1650 PolarHBondContact O-N 3.48Å; F1647-S1650 PolarHBondContact O-OG 2.94Å; F1647-I1664 HydrophobicContact CB-CG2 3.93Å; F1647-I1664 HydrophobicContact CD1-CG2 3.98Å; F1647-I1664 HydrophobicContact CD2-CD1 3.95Å; F1647-I1664 HydrophobicContact CD2-CG1 4.43Å; F1647-I1664 HydrophobicContact CD2-CG2 4.43Å; F1647-I1664 HydrophobicContact CE2-CD1 4.14Å; F1647-I1664 HydrophobicContact CG-CD1 4.44Å; F1647-I1664 HydrophobicContact CG-CG2 3.85Å; F1647-A1668 HydrophobicContact CD1-CB 4.38Å; F1647-L1674 HydrophobicContact CD1-CD2 4.48Å; F1647-L1674 HydrophobicContact CE1-CD2 3.8Å; F1647-L1674 HydrophobicContact CE2-CD2 4.27Å; F1647-L1674 HydrophobicContact CZ-CD2 3.68Å; F1647-V1677 HydrophobicContact CE2-CB 4.47Å; F1647-V1677 HydrophobicContact CE2-CG1 3.81Å; F1647-V1677 HydrophobicContact CZ-CB 3.96Å; F1647-V1677 HydrophobicContact CZ-CG1 3.73Å; F1647-V1677 HydrophobicContact CZ-CG2 4.23Å
1648P77.1Confident78.4Confident86 Ų8664 Ų6456%0.55833%0.333SS*.THydrogen-bonded Turntrans-57.6138.8179.920.8-30.9000111S1650P1648-S1650 VanDerWaalsContact C-N 3.33Å
1649N78.6Confident78.1Confident139 Ų13964.2 Ų64.274%0.74333%0.326SS*.THydrogen-bonded Turntrans71.714.3-171.4-48.1-47.3000115.7F1647 T1651 P1665F1647-N1649 PolarHBondContact O-N 3Å; N1649-T1651 PolarHBondContact O-N 3.31Å; N1649-P1665 HydrophobicContact CB-CG 4.09Å; N1649-P1665 WeakPolarHBondContact O-CG 3.44Å
1650S81.2Confident77.9Confident11 Ų1164.2 Ų64.28%0.07733%0.326CS..  trans-59.1133.1164.561.10000110.2I1643 F1647 P1648 L1663I1643-S1650 WeakPolarHBondContact CG2-OG 3.48Å; F1647-S1650 VanDerWaalsContact O-CB 3.27Å; F1647-S1650 WeakPolarHBondContact O-CB 3.33Å; F1647-S1650 PolarHBondContact O-N 3.48Å; F1647-S1650 PolarHBondContact O-OG 2.94Å; P1648-S1650 VanDerWaalsContact C-N 3.33Å; S1650-L1663 CarbonylContact C-O 3.59Å; S1650-L1663 VanDerWaalsContact CA-O 3.32Å; S1650-L1663 WeakPolarHBondContact CA-O 3.34Å
1651T79.1Confident77.7Confident73 Ų7364 Ų6445%0.44832%0.324SS..EExtended strand (participates in β ladder)trans-116127.7179.648.90000110.1N1649 Q1653 L1663N1649-T1651 PolarHBondContact O-N 3.31Å; T1651-Q1653 PolarHBondContact O-N 3.4Å; T1651-L1663 PolarHBondContact N-O 3.46Å; T1651-L1663 PolarHBondContact O-N 3.15Å
1652I77.3Confident77.7Confident63 Ų6356 Ų5632%0.32329%0.294SS..EExtended strand (participates in β ladder)trans-74.1120.3171.3-57.8167.3000107M1640 I1655 M1660M1640-I1652 HydrophobicContact CB-CD1 4.16Å; M1640-I1652 HydrophobicContact CE-CD1 4.15Å; M1640-I1652 HydrophobicContact CG-CD1 3.57Å; M1640-I1652 HydrophobicContact SD-CD1 3.63Å; I1652-I1655 HydrophobicContact CG2-CD1 4.43Å; I1652-I1655 HydrophobicContact CG2-CG1 4.19Å; I1652-M1660 HydrophobicContact CG2-CG 4.27Å
1653Q70.6Confident77.7Confident77 Ų7755.4 Ų55.436%0.3629%0.289SS..EExtended strand (participates in β ladder)trans-82.4-55.3174.9-68.3-168.3-12.700109.8T1651 H1661 L1663T1651-Q1653 PolarHBondContact O-N 3.4Å; Q1653-H1661 HydrophobicContact CB-CB 4.45Å; Q1653-H1661 PolarHBondContact N-O 2.95Å; Q1653-L1663 HydrophobicContact CG-CB 4.12Å
1654E68.6Low77.7Confident64 Ų6455.2 Ų55.230%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-151.3150.9-167.1-64173.7167.200112.2L736 H1656 H1661L736-E1654 WeakPolarHBondContact CD1-OE2 3.31Å; E1654-H1656 IonicContact OE2-CE1 2.74Å; E1654-H1656 PolarHBondContact OE2-CE1 3.32Å; E1654-H1656 VanDerWaalsContact OE2-CE1 3.32Å; E1654-H1661 HydrophobicContact CB-CB 4.25Å; E1654-H1661 PolarHBondContact N-O 2.88Å; E1654-H1661 PolarHBondContact O-N 3.12Å
1655I70.1Confident77.6Confident91 Ų9151.5 Ų51.547%0.46727%0.273SS..EExtended strand (participates in β ladder)trans-127.9121.4174.9-65.8165.6000108.4M1636 M1640 I1652 Q1659 M1660M1636-I1655 HydrophobicContact CE-CB 4.14Å; M1636-I1655 HydrophobicContact CE-CD1 4.23Å; M1636-I1655 HydrophobicContact CE-CG1 3.82Å; M1636-I1655 HydrophobicContact CE-CG2 3.37Å; M1636-I1655 HydrophobicContact SD-CG2 4.19Å; M1640-I1655 HydrophobicContact CE-CD1 3.4Å; M1640-I1655 HydrophobicContact CE-CG1 4.06Å; I1652-I1655 HydrophobicContact CG2-CD1 4.43Å; I1652-I1655 HydrophobicContact CG2-CG1 4.19Å; I1655-Q1659 CarbonylContact C-O 3.54Å; I1655-Q1659 WeakPolarHBondContact CA-O 3.36Å; I1655-M1660 HydrophobicContact CG1-CG 4.24Å
1656H64.7Low77.2Confident30 Ų3046.6 Ų46.614%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-119.984.3-179-63.9114.3000110.3E1654 R1658 Q1659 H1661E1654-H1656 IonicContact OE2-CE1 2.74Å; E1654-H1656 PolarHBondContact OE2-CE1 3.32Å; E1654-H1656 VanDerWaalsContact OE2-CE1 3.32Å; H1656-R1658 PolarHBondContact O-N 2.81Å; H1656-Q1659 HydrophobicContact CB-CB 4.29Å; H1656-Q1659 PolarHBondContact N-O 3.48Å; H1656-Q1659 PolarHBondContact O-N 3.27Å; H1656-H1661 AromaticContact ND1-CD2 3.75Å; H1656-H1661 AromaticContact ND1-NE2 3.59Å
1657G68Low76.6Confident32 Ų3253.2 Ų53.233%0.3328%0.276SS..THydrogen-bonded Turntrans54.6-115-174.300000110.7E1633 Q1659E1633-G1657 VanDerWaalsContact OE1-C 3.25Å; E1633-G1657 WeakPolarHBondContact OE1-CA 3.09Å; G1657-Q1659 PolarHBondContact O-N 3.47Å
1658R71.6Confident75.8Confident102 Ų10254.6 Ų54.639%0.38529%0.288SS..THydrogen-bonded Turntrans-81.318.7176.9-58.5-179.9-175.1-173.3-2.7114.9H533 K1629 F1630 V1631 E1633 H1656H533-R1658 PolarHBondContact NE2-NH2 3.45Å; K1629-R1658 CarbonylContact C-O 3.58Å; K1629-R1658 WeakPolarHBondContact CA-O 3.44Å; F1630-R1658 WeakPolarHBondContact CD2-O 3.33Å; F1630-R1658 PolarHBondContact N-O 3.49Å; V1631-R1658 WeakPolarHBondContact O-CD 3.24Å; V1631-R1658 PolarHBondContact O-NE 3.48Å; V1631-R1658 PolarHBondContact O-NH1 2.85Å; E1633-R1658 HydrophobicContact CG-CG 4.07Å; H1656-R1658 PolarHBondContact O-N 2.81Å
1659Q75.8Confident75.9Confident34 Ų3451 Ų5116%0.15927%0.265CS..EExtended strand (participates in β ladder)trans-126.1143179.3-68.6177-10.500110.9A1628 K1629 I1655 H1656 G1657A1628-Q1659 CarbonylContact O-C 3.57Å; A1628-Q1659 VanDerWaalsContact O-CA 3.24Å; A1628-Q1659 WeakPolarHBondContact O-CA 3.19Å; K1629-Q1659 HydrophobicContact CB-CG 4.17Å; K1629-Q1659 HydrophobicContact CG-CG 4.05Å; I1655-Q1659 CarbonylContact C-O 3.54Å; I1655-Q1659 WeakPolarHBondContact CA-O 3.36Å; H1656-Q1659 HydrophobicContact CB-CB 4.29Å; H1656-Q1659 PolarHBondContact N-O 3.48Å; H1656-Q1659 PolarHBondContact O-N 3.27Å; G1657-Q1659 PolarHBondContact O-N 3.47Å
1660M81.5Confident76Confident1 Ų147.6 Ų47.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-130135.5178.1-169.5-178.776.700110.8I1627 A1628 F1630 M1636 F1639 M1640 I1643 I1652 I1655 C1662I1627-M1660 CarbonylContact C-O 3.52Å; I1627-M1660 WeakPolarHBondContact CA-O 3.43Å; A1628-M1660 PolarHBondContact N-O 3.47Å; A1628-M1660 PolarHBondContact O-N 3.07Å; F1630-M1660 HydrophobicContact CE2-CB 3.71Å; F1630-M1660 HydrophobicContact CZ-CB 4.35Å; M1636-M1660 HydrophobicContact CE-CB 3.73Å; M1636-M1660 HydrophobicContact CE-CG 4.16Å; M1636-M1660 HydrophobicContact CE-SD 4.48Å; F1639-M1660 HydrophobicContact CD1-CE 3.33Å; F1639-M1660 HydrophobicContact CD1-SD 4.4Å; F1639-M1660 HydrophobicContact CE1-CE 3.39Å; M1640-M1660 HydrophobicContact CE-CG 4.33Å; M1640-M1660 HydrophobicContact CE-SD 3.48Å; M1640-M1660 WeakPolarHBondContact CE-SD 3.46Å; M1640-M1660 HydrophobicContact CG-CE 4.46Å; M1640-M1660 HydrophobicContact CG-SD 3.52Å; M1640-M1660 VanDerWaalsContact CG-SD 3.52Å; M1640-M1660 HydrophobicContact SD-SD 4.37Å; I1643-M1660 HydrophobicContact CD1-CE 4.01Å; I1652-M1660 HydrophobicContact CG2-CG 4.27Å; I1655-M1660 HydrophobicContact CG1-CG 4.24Å; M1660-C1662 HydrophobicContact CE-CB 4.13Å
1661H80.7Confident76.2Confident28 Ų2847.4 Ų47.413%0.1325%0.247CC..EExtended strand (participates in β ladder)trans-110117174.5-66-125.2000108.6L1626 Q1653 E1654 H1656L1626-H1661 CarbonylContact O-C 3.46Å; L1626-H1661 WeakPolarHBondContact O-CA 3.28Å; Q1653-H1661 HydrophobicContact CB-CB 4.45Å; Q1653-H1661 PolarHBondContact N-O 2.95Å; E1654-H1661 HydrophobicContact CB-CB 4.25Å; E1654-H1661 PolarHBondContact N-O 2.88Å; E1654-H1661 PolarHBondContact O-N 3.12Å; H1656-H1661 AromaticContact ND1-CD2 3.75Å; H1656-H1661 AromaticContact ND1-NE2 3.59Å
1662C84Confident76.4Confident0 Ų044.3 Ų44.30%023%0.228CC..EExtended strand (participates in β ladder)trans-121.5140.7-179.8-176.20000110.2L1626 M1660L1626-C1662 HydrophobicContact CB-CB 4.37Å; L1626-C1662 PolarHBondContact N-O 3.03Å; L1626-C1662 PolarHBondContact O-N 3.16Å; M1660-C1662 HydrophobicContact CE-CB 4.13Å
1663L83.5Confident76.7Confident9 Ų948.3 Ų48.35%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-106.8120174.9-178.981.8000109.5K1622 G1623 Y1624 S1650 T1651 Q1653K1622-L1663 HydrophobicContact CB-CD2 3.59Å; K1622-L1663 HydrophobicContact CD-CD2 4.41Å; G1623-L1663 WeakPolarHBondContact O-CD1 3.4Å; Y1624-L1663 CarbonylContact O-C 3.49Å; Y1624-L1663 WeakPolarHBondContact O-CA 3.38Å; S1650-L1663 CarbonylContact C-O 3.59Å; S1650-L1663 VanDerWaalsContact CA-O 3.32Å; S1650-L1663 WeakPolarHBondContact CA-O 3.34Å; T1651-L1663 PolarHBondContact N-O 3.46Å; T1651-L1663 PolarHBondContact O-N 3.15Å; Q1653-L1663 HydrophobicContact CG-CB 4.12Å
1664I85.1Confident77.5Confident0 Ų044.7 Ų44.70%022%0.222CC..EExtended strand (participates in β ladder)trans-105.8116.6179.5-60169.2000108.9G1623 Y1624 L1626 F1647 A1668 L1674G1623-I1664 CarbonylContact C-O 3.54Å; G1623-I1664 VanDerWaalsContact C-O 3.26Å; G1623-I1664 WeakPolarHBondContact CA-O 3.29Å; Y1624-I1664 PolarHBondContact N-O 2.87Å; Y1624-I1664 PolarHBondContact O-N 2.74Å; L1626-I1664 HydrophobicContact CB-CD1 4.29Å; L1626-I1664 HydrophobicContact CD2-CD1 4.22Å; F1647-I1664 HydrophobicContact CB-CG2 3.93Å; F1647-I1664 HydrophobicContact CD1-CG2 3.98Å; F1647-I1664 HydrophobicContact CD2-CD1 3.95Å; F1647-I1664 HydrophobicContact CD2-CG1 4.43Å; F1647-I1664 HydrophobicContact CD2-CG2 4.43Å; F1647-I1664 HydrophobicContact CE2-CD1 4.14Å; F1647-I1664 HydrophobicContact CG-CD1 4.44Å; F1647-I1664 HydrophobicContact CG-CG2 3.85Å; I1664-A1668 HydrophobicContact CG2-CB 4.12Å; I1664-L1674 HydrophobicContact CD1-CD2 3.84Å; I1664-L1674 HydrophobicContact CG2-CD2 4.05Å
1665P81.8Confident78.3Confident25 Ų2541.6 Ų41.616%0.16221%0.208CC..  trans-53.9142.6-177.6-2633.5000113.7N1649 Q1667 A1668N1649-P1665 HydrophobicContact CB-CG 4.09Å; N1649-P1665 WeakPolarHBondContact O-CG 3.44Å; P1665-Q1667 PolarHBondContact O-N 2.68Å; P1665-Q1667 VanDerWaalsContact O-N 3.16Å; P1665-A1668 HydrophobicContact CB-CB 4.42Å; P1665-A1668 VanDerWaalsContact O-CB 3.27Å; P1665-A1668 WeakPolarHBondContact O-CB 3.28Å; P1665-A1668 PolarHBondContact O-N 3.06Å
1666F75.2Confident79Confident52 Ų5242 Ų4223%0.22821%0.208CC..G310 helixtrans-58.6-32.3-179.5-71.5-49.1000113.2G1621 Y1624 A1668 P1695G1621-F1666 WeakPolarHBondContact O-CD2 3.35Å; G1621-F1666 WeakPolarHBondContact O-CE2 3.47Å; Y1624-F1666 AromaticContact CD1-CD1 3.94Å; Y1624-F1666 HydrophobicContact CD1-CD1 3.94Å; Y1624-F1666 AromaticContact CD1-CE1 3.76Å; Y1624-F1666 HydrophobicContact CD1-CE1 3.76Å; Y1624-F1666 AromaticContact CD2-CD1 3.87Å; Y1624-F1666 HydrophobicContact CD2-CD1 3.87Å; Y1624-F1666 HydrophobicContact CD2-CE1 4.4Å; Y1624-F1666 AromaticContact CE1-CD1 3.68Å; Y1624-F1666 HydrophobicContact CE1-CD1 3.68Å; Y1624-F1666 AromaticContact CE1-CE1 3.75Å; Y1624-F1666 HydrophobicContact CE1-CE1 3.75Å; Y1624-F1666 AromaticContact CE2-CD1 3.64Å; Y1624-F1666 HydrophobicContact CE2-CD1 3.64Å; Y1624-F1666 HydrophobicContact CE2-CE1 4.43Å; Y1624-F1666 HydrophobicContact CG-CD1 4.04Å; Y1624-F1666 HydrophobicContact CG-CE1 4.11Å; Y1624-F1666 AromaticContact CZ-CD1 3.55Å; F1666-A1668 PolarHBondContact O-N 3.38Å; F1666-P1695 HydrophobicContact CZ-CG 4Å
1667Q70.5Confident79.8Confident197 Ų19741.7 Ų41.792%0.92121%0.208SC*.G310 helixtrans-70.5-16.4178.6-65.9163.5-9.400113.1P1665P1665-Q1667 PolarHBondContact O-N 2.68Å; P1665-Q1667 VanDerWaalsContact O-N 3.16Å
1668A67.6Low80.6Confident33 Ų3340.1 Ų40.127%0.27319%0.192SC..G310 helixtrans-79.8-27.1-174.800000113.1F1647 I1664 P1665 F1666F1647-A1668 HydrophobicContact CD1-CB 4.38Å; I1664-A1668 HydrophobicContact CG2-CB 4.12Å; P1665-A1668 HydrophobicContact CB-CB 4.42Å; P1665-A1668 VanDerWaalsContact O-CB 3.27Å; P1665-A1668 WeakPolarHBondContact O-CB 3.28Å; P1665-A1668 PolarHBondContact O-N 3.06Å; F1666-A1668 PolarHBondContact O-N 3.38Å
1669S77.8Confident81.1Confident11 Ų1138.4 Ų38.48%0.07719%0.188CC..  trans-163.6156.9-174.5-166.70000113.8Y1624 R1673Y1624-S1669 VanDerWaalsContact CE2-O 3.28Å; Y1624-S1669 WeakPolarHBondContact CE2-O 3.49Å; Y1624-S1669 PolarHBondContact OH-O 3.15Å; S1669-R1673 WeakPolarHBondContact OG-CB 3.33Å
1670T81.9Confident81.4Confident66 Ų6641.5 Ų41.541%0.40521%0.21SC..  trans-84.5166.8163.861.50000110.7E828 S1672 L1674E828-T1670 WeakPolarHBondContact OE1-CB 3.28Å; E828-T1670 WeakPolarHBondContact OE2-CB 3.4Å; T1670-S1672 PolarHBondContact OG1-OG 2.97Å; T1670-S1672 VanDerWaalsContact OG1-OG 3.13Å; T1670-L1674 WeakPolarHBondContact O-CG 3.41Å; T1670-L1674 PolarHBondContact O-N 2.95Å; T1670-L1674 VanDerWaalsContact O-N 3.13Å
1671W84.5Confident81.5Confident7 Ų741.9 Ų41.93%0.02721%0.211CC..Hα-helixtrans-63.1-45179.5-77.8101.7000111.9F824 E828 F839 L841 Y1624 R1673 L1674 F1675 L1692 Q1694F824-W1671 HydrophobicContact CB-CB 3.75Å; F824-W1671 HydrophobicContact CD1-CB 3.41Å; F824-W1671 VanDerWaalsContact CD1-CB 3.41Å; F824-W1671 AromaticContact CD1-CD1 3.99Å; F824-W1671 HydrophobicContact CD1-CD2 4.33Å; F824-W1671 AromaticContact CD1-CG 3.64Å; F824-W1671 HydrophobicContact CD1-CG 3.64Å; F824-W1671 HydrophobicContact CD2-CB 4.02Å; F824-W1671 HydrophobicContact CE1-CB 3.97Å; F824-W1671 AromaticContact CE1-CD1 3.98Å; F824-W1671 AromaticContact CE1-CD2 3.98Å; F824-W1671 HydrophobicContact CE1-CD2 3.98Å; F824-W1671 AromaticContact CE1-CG 3.71Å; F824-W1671 HydrophobicContact CE1-CG 3.71Å; F824-W1671 HydrophobicContact CE2-CE3 4.42Å; F824-W1671 HydrophobicContact CG-CB 3.44Å; F824-W1671 VanDerWaalsContact CG-CB 3.44Å; F824-W1671 HydrophobicContact CG-CG 4.12Å; F824-W1671 HydrophobicContact CZ-CD2 4.13Å; F824-W1671 HydrophobicContact CZ-CE3 4.28Å; F824-W1671 HydrophobicContact CZ-CG 4.27Å; E828-W1671 WeakPolarHBondContact OE1-CA 3.34Å; E828-W1671 WeakPolarHBondContact OE1-CB 3.48Å; E828-W1671 PolarHBondContact OE1-N 3.5Å; F839-W1671 AromaticContact CE2-CD1 3.62Å; F839-W1671 HydrophobicContact CE2-CG 4.49Å; L841-W1671 HydrophobicContact CB-CE3 4.18Å; L841-W1671 HydrophobicContact CB-CH2 3.39Å; L841-W1671 HydrophobicContact CB-CZ2 3.91Å; L841-W1671 HydrophobicContact CB-CZ3 3.54Å; L841-W1671 HydrophobicContact CD2-CZ3 4.18Å; Y1624-W1671 HydrophobicContact CD1-CD2 4.41Å; Y1624-W1671 HydrophobicContact CD1-CE3 4.46Å; Y1624-W1671 AromaticContact CD1-CH2 3.82Å; Y1624-W1671 HydrophobicContact CD1-CH2 3.82Å; Y1624-W1671 AromaticContact CD1-CZ2 3.75Å; Y1624-W1671 HydrophobicContact CD1-CZ2 3.75Å; Y1624-W1671 HydrophobicContact CD1-CZ3 4.19Å; Y1624-W1671 AromaticContact CE1-CD2 3.97Å; Y1624-W1671 HydrophobicContact CE1-CD2 3.97Å; Y1624-W1671 AromaticContact CE1-CE2 3.54Å; Y1624-W1671 HydrophobicContact CE1-CE3 4.45Å; Y1624-W1671 HydrophobicContact CE1-CG 4.44Å; Y1624-W1671 HydrophobicContact CE1-CH2 4.18Å; Y1624-W1671 AromaticContact CE1-CZ2 3.66Å; Y1624-W1671 HydrophobicContact CE1-CZ2 3.66Å; Y1624-W1671 AromaticContact CE1-NE1 3.79Å; W1671-R1673 VanDerWaalsContact C-N 3.34Å; W1671-R1673 PolarHBondContact O-N 2.95Å; W1671-L1674 PolarHBondContact O-N 3.42Å; W1671-F1675 AromaticContact CE3-CE2 3.93Å; W1671-F1675 HydrophobicContact CE3-CE2 3.93Å; W1671-F1675 HydrophobicContact CZ3-CE2 4.48Å; W1671-F1675 VanDerWaalsContact O-CD2 3.31Å; W1671-F1675 WeakPolarHBondContact O-CD2 3.47Å; W1671-F1675 PolarHBondContact O-N 3.05Å; W1671-L1692 HydrophobicContact CZ3-CB 4.44Å; W1671-Q1694 HydrophobicContact CH2-CG 3.87Å; W1671-Q1694 HydrophobicContact CZ2-CG 3.44Å; W1671-Q1694 VanDerWaalsContact CZ2-CG 3.44Å
1672S84.2Confident81.5Confident8 Ų842.1 Ų42.16%0.05622%0.215CC..Hα-helixtrans-54.8-50.3179.2550000111.3E828 T1670 L1674 F1675 E1676E828-S1672 PolarHBondContact OE1-N 2.84Å; E828-S1672 WeakPolarHBondContact OE2-CB 3.44Å; E828-S1672 PolarHBondContact OE2-OG 3.49Å; T1670-S1672 PolarHBondContact OG1-OG 2.97Å; T1670-S1672 VanDerWaalsContact OG1-OG 3.13Å; S1672-L1674 PolarHBondContact O-N 3.47Å; S1672-F1675 PolarHBondContact O-N 3.42Å; S1672-E1676 PolarHBondContact O-N 3.24Å; S1672-E1676 VanDerWaalsContact O-N 3.14Å
1673R83.8Confident81.2Confident148 Ų14851.5 Ų51.556%0.55826%0.256SS*.Hα-helixtrans-66.9-31.5179.9-175.9176.1-174.2176.90.3113.5S1669 W1671 V1677S1669-R1673 WeakPolarHBondContact OG-CB 3.33Å; W1671-R1673 VanDerWaalsContact C-N 3.34Å; W1671-R1673 PolarHBondContact O-N 2.95Å; R1673-V1677 HydrophobicContact CG-CG2 4.34Å; R1673-V1677 WeakPolarHBondContact O-CB 3.33Å; R1673-V1677 VanDerWaalsContact O-CG2 3.27Å; R1673-V1677 WeakPolarHBondContact O-CG2 3.31Å; R1673-V1677 PolarHBondContact O-N 3.21Å
1674L86.4Confident81.1Confident0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-63.4-47.3175.8-76.9167.7000111.9Y1624 F1647 I1664 T1670 W1671 S1672 L1678 L1692Y1624-L1674 HydrophobicContact CD1-CD1 3.99Å; Y1624-L1674 HydrophobicContact CD2-CD1 3.44Å; Y1624-L1674 VanDerWaalsContact CD2-CD1 3.44Å; Y1624-L1674 HydrophobicContact CE1-CD1 4.2Å; Y1624-L1674 HydrophobicContact CE2-CD1 3.65Å; Y1624-L1674 HydrophobicContact CG-CD1 3.6Å; F1647-L1674 HydrophobicContact CD1-CD2 4.48Å; F1647-L1674 HydrophobicContact CE1-CD2 3.8Å; F1647-L1674 HydrophobicContact CE2-CD2 4.27Å; F1647-L1674 HydrophobicContact CZ-CD2 3.68Å; I1664-L1674 HydrophobicContact CD1-CD2 3.84Å; I1664-L1674 HydrophobicContact CG2-CD2 4.05Å; T1670-L1674 WeakPolarHBondContact O-CG 3.41Å; T1670-L1674 PolarHBondContact O-N 2.95Å; T1670-L1674 VanDerWaalsContact O-N 3.13Å; W1671-L1674 PolarHBondContact O-N 3.42Å; S1672-L1674 PolarHBondContact O-N 3.47Å; L1674-L1678 WeakPolarHBondContact O-CB 3.35Å; L1674-L1678 WeakPolarHBondContact O-CD1 3.41Å; L1674-L1678 WeakPolarHBondContact O-CG 3.29Å; L1674-L1678 PolarHBondContact O-N 2.89Å; L1674-L1678 VanDerWaalsContact O-N 3.07Å; L1674-L1692 HydrophobicContact CB-CD1 3.95Å; L1674-L1692 HydrophobicContact CB-CD2 4.49Å; L1674-L1692 HydrophobicContact CD1-CD2 4.12Å
1675F85.9Confident81Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-66.4-40.1178.3-78-70.9000112L820 Q821 F824 L841 W1671 S1672 E1679 Y1690 L1692L820-F1675 HydrophobicContact CB-CD1 4.29Å; L820-F1675 HydrophobicContact CB-CD2 4.3Å; L820-F1675 HydrophobicContact CB-CE1 4.28Å; L820-F1675 HydrophobicContact CB-CE2 4.3Å; L820-F1675 HydrophobicContact CB-CG 4.31Å; L820-F1675 HydrophobicContact CB-CZ 4.3Å; L820-F1675 HydrophobicContact CD1-CD1 4.4Å; L820-F1675 HydrophobicContact CD1-CE1 3.79Å; L820-F1675 HydrophobicContact CD1-CZ 4.02Å; Q821-F1675 HydrophobicContact CB-CB 3.99Å; F824-F1675 AromaticContact CD2-CD2 3.94Å; F824-F1675 HydrophobicContact CD2-CD2 3.94Å; F824-F1675 AromaticContact CD2-CE2 3.7Å; F824-F1675 HydrophobicContact CD2-CE2 3.7Å; F824-F1675 HydrophobicContact CE2-CD2 4.33Å; F824-F1675 AromaticContact CE2-CE2 3.62Å; F824-F1675 HydrophobicContact CE2-CE2 3.62Å; F824-F1675 HydrophobicContact CE2-CZ 4.43Å; L841-F1675 HydrophobicContact CD2-CE2 4.02Å; L841-F1675 HydrophobicContact CD2-CZ 3.57Å; W1671-F1675 AromaticContact CE3-CE2 3.93Å; W1671-F1675 HydrophobicContact CE3-CE2 3.93Å; W1671-F1675 HydrophobicContact CZ3-CE2 4.48Å; W1671-F1675 VanDerWaalsContact O-CD2 3.31Å; W1671-F1675 WeakPolarHBondContact O-CD2 3.47Å; W1671-F1675 PolarHBondContact O-N 3.05Å; S1672-F1675 PolarHBondContact O-N 3.42Å; F1675-E1679 WeakPolarHBondContact O-CG 3.49Å; F1675-E1679 PolarHBondContact O-N 2.81Å; F1675-E1679 VanDerWaalsContact O-N 3.11Å; F1675-Y1690 HydrophobicContact CD1-CE2 4.14Å; F1675-Y1690 HydrophobicContact CE1-CE2 4.28Å; F1675-L1692 HydrophobicContact CD1-CD1 3.96Å; F1675-L1692 HydrophobicContact CD2-CD1 4.45Å; F1675-L1692 HydrophobicContact CE1-CB 4.07Å; F1675-L1692 HydrophobicContact CE1-CD1 3.82Å; F1675-L1692 HydrophobicContact CE2-CD1 4.32Å; F1675-L1692 HydrophobicContact CG-CD1 4.27Å; F1675-L1692 HydrophobicContact CZ-CB 3.87Å; F1675-L1692 HydrophobicContact CZ-CD1 4Å
1676E83.7Confident80.9Confident99 Ų9956.5 Ų56.546%0.46329%0.288SS..Hα-helixtrans-55.9-53.6175.3-172177.2-178.900111.8Q821 S1672 T1680Q821-E1676 HydrophobicContact CG-CB 4.39Å; Q821-E1676 VanDerWaalsContact NE2-CB 3.32Å; Q821-E1676 VanDerWaalsContact NE2-CG 3.31Å; S1672-E1676 PolarHBondContact O-N 3.24Å; S1672-E1676 VanDerWaalsContact O-N 3.14Å; E1676-T1680 PolarHBondContact O-N 3.4Å
1677V83.4Confident81.1Confident23 Ų2354.6 Ų54.614%0.13928%0.28CS..Hα-helixtrans-64.4-45.5-177.5168.90000111.2T1646 F1647 R1673 E1679 T1680 M1681T1646-V1677 HydrophobicContact CG2-CG1 3.6Å; T1646-V1677 HydrophobicContact CG2-CG2 4.35Å; F1647-V1677 HydrophobicContact CE2-CB 4.47Å; F1647-V1677 HydrophobicContact CE2-CG1 3.81Å; F1647-V1677 HydrophobicContact CZ-CB 3.96Å; F1647-V1677 HydrophobicContact CZ-CG1 3.73Å; F1647-V1677 HydrophobicContact CZ-CG2 4.23Å; R1673-V1677 HydrophobicContact CG-CG2 4.34Å; R1673-V1677 WeakPolarHBondContact O-CB 3.33Å; R1673-V1677 VanDerWaalsContact O-CG2 3.27Å; R1673-V1677 WeakPolarHBondContact O-CG2 3.31Å; R1673-V1677 PolarHBondContact O-N 3.21Å; V1677-E1679 PolarHBondContact O-N 3.44Å; V1677-T1680 PolarHBondContact O-N 3.03Å; V1677-T1680 VanDerWaalsContact O-N 3.12Å; V1677-T1680 PolarHBondContact O-OG1 3.4Å; V1677-M1681 HydrophobicContact CG1-CE 3.39Å; V1677-M1681 HydrophobicContact CG1-SD 4.31Å; V1677-M1681 PolarHBondContact O-N 3.31Å
1678L84.3Confident81.3Confident0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-67.3-35.9-176.4-73.6165.1000113L1626 F1639 L1674 T1680 M1681 V1682 Y1690 L1692L1626-L1678 HydrophobicContact CD1-CD1 3.64Å; L1626-L1678 HydrophobicContact CD1-CD2 4.05Å; L1626-L1678 HydrophobicContact CD2-CD1 4.33Å; L1626-L1678 HydrophobicContact CD2-CD2 3.63Å; F1639-L1678 HydrophobicContact CZ-CD2 4.18Å; L1674-L1678 WeakPolarHBondContact O-CB 3.35Å; L1674-L1678 WeakPolarHBondContact O-CD1 3.41Å; L1674-L1678 WeakPolarHBondContact O-CG 3.29Å; L1674-L1678 PolarHBondContact O-N 2.89Å; L1674-L1678 VanDerWaalsContact O-N 3.07Å; L1678-T1680 PolarHBondContact O-N 3.21Å; L1678-M1681 HydrophobicContact CD2-SD 4.27Å; L1678-M1681 WeakPolarHBondContact O-CB 3.26Å; L1678-M1681 PolarHBondContact O-N 2.96Å; L1678-V1682 WeakPolarHBondContact O-CG2 3.31Å; L1678-V1682 PolarHBondContact O-N 3.29Å; L1678-Y1690 HydrophobicContact CB-CD2 4.17Å; L1678-Y1690 HydrophobicContact CB-CE1 4.36Å; L1678-Y1690 HydrophobicContact CB-CE2 3.82Å; L1678-Y1690 HydrophobicContact CD1-CD2 3.89Å; L1678-Y1690 HydrophobicContact CD1-CE2 3.9Å; L1678-L1692 HydrophobicContact CD1-CD1 3.23Å; L1678-L1692 HydrophobicContact CD1-CD2 4.47Å; L1678-L1692 HydrophobicContact CD1-CG 3.81Å
1679E82Confident81.5Confident65 Ų6549 Ų4930%0.30426%0.255SS..Hα-helixtrans-59.1-35.6172.7-78.8-60.7152.900112.1G817 P818 F1675 V1677 M1681 V1682 Y1690G817-E1679 WeakPolarHBondContact CA-OE1 3.45Å; G817-E1679 PolarHBondContact N-OE1 3.43Å; G817-E1679 VanDerWaalsContact N-OE1 3.08Å; P818-E1679 HydrophobicContact CG-CG 4.45Å; F1675-E1679 WeakPolarHBondContact O-CG 3.49Å; F1675-E1679 PolarHBondContact O-N 2.81Å; F1675-E1679 VanDerWaalsContact O-N 3.11Å; V1677-E1679 PolarHBondContact O-N 3.44Å; E1679-M1681 PolarHBondContact O-N 3Å; E1679-V1682 PolarHBondContact O-N 3.37Å; E1679-Y1690 WeakPolarHBondContact CG-OH 3.37Å; E1679-Y1690 PolarHBondContact OE1-OH 3.14Å
1680T82.2Confident81.7Confident99 Ų9949 Ų4961%0.60725%0.253SS*.Hα-helixtrans-67.8-24.9174.670.70000113E1676 V1677 L1678 P1684E1676-T1680 PolarHBondContact O-N 3.4Å; V1677-T1680 PolarHBondContact O-N 3.03Å; V1677-T1680 VanDerWaalsContact O-N 3.12Å; V1677-T1680 PolarHBondContact O-OG1 3.4Å; L1678-T1680 PolarHBondContact O-N 3.21Å; T1680-P1684 WeakPolarHBondContact O-CD 3.12Å
1681M83.6Confident81.6Confident9 Ų947.3 Ų47.34%0.04424%0.241CC..Hα-helixtrans-88.2-13.5-179.3-63.9177.3-176.200114.1F1639 I1643 T1646 V1677 L1678 E1679 K1683 P1684 H1685 L1687F1639-M1681 HydrophobicContact CD2-CB 4.43Å; F1639-M1681 HydrophobicContact CD2-SD 4.42Å; F1639-M1681 HydrophobicContact CE2-CB 3.93Å; F1639-M1681 HydrophobicContact CE2-CG 4.47Å; F1639-M1681 HydrophobicContact CE2-SD 3.79Å; I1643-M1681 HydrophobicContact CG1-SD 4.32Å; T1646-M1681 HydrophobicContact CG2-CE 4.19Å; T1646-M1681 WeakPolarHBondContact OG1-CE 3.35Å; V1677-M1681 HydrophobicContact CG1-CE 3.39Å; V1677-M1681 HydrophobicContact CG1-SD 4.31Å; V1677-M1681 PolarHBondContact O-N 3.31Å; L1678-M1681 HydrophobicContact CD2-SD 4.27Å; L1678-M1681 WeakPolarHBondContact O-CB 3.26Å; L1678-M1681 PolarHBondContact O-N 2.96Å; E1679-M1681 PolarHBondContact O-N 3Å; M1681-K1683 PolarHBondContact O-N 2.58Å; M1681-P1684 WeakPolarHBondContact O-CD 3.15Å; M1681-H1685 PolarHBondContact O-N 2.97Å; M1681-L1687 HydrophobicContact CB-CD1 4.38Å
1682V80Confident81.5Confident34 Ų3447 Ų4721%0.20624%0.239CC..Hα-helixtrans-58.4-53.2-173.5175.40000112.7L1678 E1679 L1687 Y1690L1678-V1682 WeakPolarHBondContact O-CG2 3.31Å; L1678-V1682 PolarHBondContact O-N 3.29Å; E1679-V1682 PolarHBondContact O-N 3.37Å; V1682-L1687 HydrophobicContact CG1-CB 4.33Å; V1682-L1687 PolarHBondContact O-N 2.83Å; V1682-L1687 VanDerWaalsContact O-N 3.12Å; V1682-Y1690 HydrophobicContact CG2-CD1 3.83Å; V1682-Y1690 HydrophobicContact CG2-CE1 3.65Å
1683K78.3Confident81.5Confident197 Ų19747 Ų4786%0.85724%0.24SC*.THydrogen-bonded Turntrans-72.3-46.3-177-66.4-178.8-179.3176.30113.8M1681 H1685M1681-K1683 PolarHBondContact O-N 2.58Å; K1683-H1685 VanDerWaalsContact C-N 3.35Å; K1683-H1685 PolarHBondContact O-N 3.12Å
1684P80.2Confident81.4Confident90 Ų9041.4 Ų41.458%0.58422%0.22SC*.THydrogen-bonded Turntrans-64-35.4-175.5-22.832.8000114.3T1680 M1681T1680-P1684 WeakPolarHBondContact O-CD 3.12Å; M1681-P1684 WeakPolarHBondContact O-CD 3.15Å
1685H83Confident81Confident35 Ų3541.6 Ų41.616%0.16222%0.221CC..THydrogen-bonded Turntrans-101.715.7-173.9-66.5-70.2000113.6Y1635 G1638 F1639 S1642 M1681 K1683 L1687Y1635-H1685 WeakPolarHBondContact CB-O 3.24Å; G1638-H1685 VanDerWaalsContact C-CE1 3.44Å; G1638-H1685 PolarHBondContact O-CE1 2.94Å; G1638-H1685 VanDerWaalsContact O-CE1 3.23Å; F1639-H1685 HydrophobicContact CB-CB 3.98Å; F1639-H1685 HydrophobicContact CD2-CB 3.81Å; F1639-H1685 AromaticContact CD2-CD2 3.85Å; F1639-H1685 AromaticContact CD2-CG 3.8Å; F1639-H1685 HydrophobicContact CG-CB 4.29Å; F1639-H1685 PolarHBondContact N-ND1 2.74Å; S1642-H1685 WeakPolarHBondContact CB-NE2 3.47Å; M1681-H1685 PolarHBondContact O-N 2.97Å; K1683-H1685 VanDerWaalsContact C-N 3.35Å; K1683-H1685 PolarHBondContact O-N 3.12Å; H1685-L1687 PolarHBondContact O-N 3.35Å; H1685-L1687 VanDerWaalsContact O-N 3.14Å
1686G79.5Confident80.5Confident14 Ų1443.4 Ų43.414%0.14423%0.234CC..THydrogen-bonded Turntrans55.436.1177.700000113.1F1630 V1631 V1688F1630-G1686 WeakPolarHBondContact CA-O 3.46Å; V1631-G1686 WeakPolarHBondContact CG2-O 3.43Å; V1631-G1686 PolarHBondContact N-O 3.41Å; G1686-V1688 PolarHBondContact O-N 3.34Å
1687L79.3Confident80.2Confident12 Ų1238.9 Ų38.96%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-70.5119.2173.4-76.9159.2000108.3A1628 K1629 F1630 F1639 M1681 V1682 H1685 D1689A1628-L1687 HydrophobicContact CB-CD2 3.55Å; K1629-L1687 CarbonylContact O-C 3.39Å; K1629-L1687 WeakPolarHBondContact O-CA 3.23Å; F1630-L1687 HydrophobicContact CD1-CD2 4.02Å; F1630-L1687 HydrophobicContact CD1-CG 4.37Å; F1630-L1687 HydrophobicContact CE1-CD2 3.57Å; F1630-L1687 HydrophobicContact CE1-CG 4.06Å; F1630-L1687 HydrophobicContact CZ-CD2 3.86Å; F1639-L1687 HydrophobicContact CD2-CD1 4.06Å; F1639-L1687 HydrophobicContact CE1-CD2 4.48Å; F1639-L1687 HydrophobicContact CE2-CD1 3.52Å; F1639-L1687 HydrophobicContact CE2-CD2 4.48Å; F1639-L1687 HydrophobicContact CE2-CG 4.38Å; F1639-L1687 HydrophobicContact CZ-CD1 3.92Å; F1639-L1687 HydrophobicContact CZ-CD2 4.25Å; M1681-L1687 HydrophobicContact CB-CD1 4.38Å; V1682-L1687 HydrophobicContact CG1-CB 4.33Å; V1682-L1687 PolarHBondContact O-N 2.83Å; V1682-L1687 VanDerWaalsContact O-N 3.12Å; H1685-L1687 PolarHBondContact O-N 3.35Å; H1685-L1687 VanDerWaalsContact O-N 3.14Å; L1687-D1689 VanDerWaalsContact C-N 3.29Å
1688V74.8Confident79.8Confident66 Ų6638.2 Ų38.240%0.421%0.208SC..EExtended strand (participates in β ladder)trans-69-37.1169.2175.90000109.6K1629 V1631 G1686K1629-V1688 HydrophobicContact CD-CG1 4.4Å; K1629-V1688 HydrophobicContact CG-CB 4.24Å; K1629-V1688 PolarHBondContact O-N 2.8Å; V1631-V1688 HydrophobicContact CB-CG2 4.16Å; V1631-V1688 HydrophobicContact CG2-CG2 3.44Å; V1631-V1688 VanDerWaalsContact CG2-CG2 3.44Å; G1686-V1688 PolarHBondContact O-N 3.34Å
1689D72.3Confident79.4Confident47 Ų4740.9 Ų40.925%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-170.5162.3-177.7-137.7-34.6000110.9F756 R760 K1629 L1687F756-D1689 HydrophobicContact CE1-CB 3.95Å; F756-D1689 HydrophobicContact CE2-CB 4.04Å; F756-D1689 HydrophobicContact CZ-CB 3.27Å; F756-D1689 VanDerWaalsContact CZ-CG 3.49Å; F756-D1689 VanDerWaalsContact CZ-OD2 3.31Å; F756-D1689 WeakPolarHBondContact CZ-OD2 3.49Å; R760-D1689 IonicContact CZ-OD2 3.78Å; R760-D1689 IonicContact NH1-OD2 2.71Å; R760-D1689 PolarHBondContact NH1-OD2 3.4Å; K1629-D1689 PolarHBondContact N-O 3.17Å; K1629-D1689 PolarHBondContact O-N 2.97Å; L1687-D1689 VanDerWaalsContact C-N 3.29Å
1690Y82.8Confident79.1Confident11 Ų1137.8 Ų37.84%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-143.1153.1170.872.1-85.5000111.7L1626 I1627 F1675 L1678 E1679 V1682 L1692L1626-Y1690 HydrophobicContact CD1-CD2 4.08Å; I1627-Y1690 CarbonylContact O-C 3.59Å; I1627-Y1690 VanDerWaalsContact O-CA 3.28Å; I1627-Y1690 WeakPolarHBondContact O-CA 3.31Å; F1675-Y1690 HydrophobicContact CD1-CE2 4.14Å; F1675-Y1690 HydrophobicContact CE1-CE2 4.28Å; L1678-Y1690 HydrophobicContact CB-CD2 4.17Å; L1678-Y1690 HydrophobicContact CB-CE1 4.36Å; L1678-Y1690 HydrophobicContact CB-CE2 3.82Å; L1678-Y1690 HydrophobicContact CD1-CD2 3.89Å; L1678-Y1690 HydrophobicContact CD1-CE2 3.9Å; E1679-Y1690 WeakPolarHBondContact CG-OH 3.37Å; E1679-Y1690 PolarHBondContact OE1-OH 3.14Å; V1682-Y1690 HydrophobicContact CG2-CD1 3.83Å; V1682-Y1690 HydrophobicContact CG2-CE1 3.65Å; Y1690-L1692 HydrophobicContact CE2-CD1 4.29Å
1691M79.5Confident78.8Confident29 Ų2933.3 Ų33.314%0.14318%0.178CC..EExtended strand (participates in β ladder)trans-131.6133.1176-46.7-174.388.400110.4F756 I843 L1626 I1627F756-M1691 HydrophobicContact CD2-SD 4.24Å; F756-M1691 HydrophobicContact CE2-CG 4.04Å; F756-M1691 HydrophobicContact CE2-SD 3.92Å; I843-M1691 HydrophobicContact CB-CE 4.37Å; I843-M1691 HydrophobicContact CD1-CB 3.49Å; I843-M1691 VanDerWaalsContact CD1-CB 3.49Å; I843-M1691 HydrophobicContact CD1-CE 4.37Å; I843-M1691 HydrophobicContact CD1-CG 4.49Å; I843-M1691 HydrophobicContact CD1-SD 4.34Å; I843-M1691 HydrophobicContact CG1-CB 4.27Å; I843-M1691 HydrophobicContact CG1-CE 4.2Å; I843-M1691 HydrophobicContact CG2-CE 3.24Å; I843-M1691 HydrophobicContact CG2-SD 4.09Å; L1626-M1691 CarbonylContact C-O 3.32Å; L1626-M1691 WeakPolarHBondContact CA-O 3.21Å; I1627-M1691 HydrophobicContact CB-CB 4.41Å; I1627-M1691 PolarHBondContact N-O 2.79Å; I1627-M1691 PolarHBondContact O-N 2.91Å
1692L83Confident78.4Confident0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-113.6134.8178.8-104.7163.1000110.1Y766 L1626 W1671 L1674 F1675 L1678 Y1690Y766-L1692 WeakPolarHBondContact CE1-O 3.41Å; L1626-L1692 HydrophobicContact CD1-CG 4.19Å; W1671-L1692 HydrophobicContact CZ3-CB 4.44Å; L1674-L1692 HydrophobicContact CB-CD1 3.95Å; L1674-L1692 HydrophobicContact CB-CD2 4.49Å; L1674-L1692 HydrophobicContact CD1-CD2 4.12Å; F1675-L1692 HydrophobicContact CD1-CD1 3.96Å; F1675-L1692 HydrophobicContact CD2-CD1 4.45Å; F1675-L1692 HydrophobicContact CE1-CB 4.07Å; F1675-L1692 HydrophobicContact CE1-CD1 3.82Å; F1675-L1692 HydrophobicContact CE2-CD1 4.32Å; F1675-L1692 HydrophobicContact CG-CD1 4.27Å; F1675-L1692 HydrophobicContact CZ-CB 3.87Å; F1675-L1692 HydrophobicContact CZ-CD1 4Å; L1678-L1692 HydrophobicContact CD1-CD1 3.23Å; L1678-L1692 HydrophobicContact CD1-CD2 4.47Å; L1678-L1692 HydrophobicContact CD1-CG 3.81Å; Y1690-L1692 HydrophobicContact CE2-CD1 4.29Å
1693S82.6Confident78Confident10 Ų1034.9 Ų34.97%0.0719%0.187CC..EExtended strand (participates in β ladder)trans-153.7163.4178.457.30000113L1625L1625-S1693 PolarHBondContact N-O 2.86Å; L1625-S1693 PolarHBondContact O-N 2.95Å
1694Q83.3Confident77.6Confident29 Ų2925.7 Ų25.714%0.13615%0.147CC..PPolyproline II helixtrans-70155.4164.6-70.9-168.9-31.900111.1F839 G840 L841 W1671F839-Q1694 PolarHBondContact O-NE2 3.06Å; G840-Q1694 VanDerWaalsContact CA-CD 3.43Å; G840-Q1694 VanDerWaalsContact CA-NE2 3.28Å; L841-Q1694 PolarHBondContact O-N 3.15Å; W1671-Q1694 HydrophobicContact CH2-CG 3.87Å; W1671-Q1694 HydrophobicContact CZ2-CG 3.44Å; W1671-Q1694 VanDerWaalsContact CZ2-CG 3.44Å
1695P76.7Confident77.1Confident4 Ų422.3 Ų22.33%0.02613%0.125CC..PPolyproline II helixtrans-63.8147173.927.6-30.2000109.5G1623 F1666 Q1699G1623-P1695 WeakPolarHBondContact O-CD 3.46Å; G1623-P1695 VanDerWaalsContact O-CG 3.32Å; G1623-P1695 WeakPolarHBondContact O-CG 3.31Å; F1666-P1695 HydrophobicContact CZ-CG 4Å; P1695-Q1699 VanDerWaalsContact CA-OE1 3.26Å; P1695-Q1699 HydrophobicContact CB-CB 4.29Å
1696S76.5Confident76Confident38 Ų3823.4 Ų23.427%0.26615%0.146SC..PPolyproline II helixtrans-64.4158178.375.30000110.8E1698 Q1699 T1700S1696-E1698 PolarHBondContact O-N 2.93Å; S1696-E1698 PolarHBondContact OG-N 2.99Å; S1696-Q1699 PolarHBondContact O-N 3.33Å; S1696-Q1699 PolarHBondContact OG-N 2.64Å; S1696-T1700 PolarHBondContact O-N 3.06Å; S1696-T1700 VanDerWaalsContact O-N 3.09Å; S1696-T1700 PolarHBondContact O-OG1 3.02Å
1697L77.3Confident74.4Confident5 Ų528.5 Ų28.53%0.02617%0.174CC..Hα-helixtrans-60.7-28.3173.9-177.264.6000111.1M1589 E1593 L1599 P1613 K1617 T1700 F1701M1589-L1697 HydrophobicContact CB-CB 4.08Å; M1589-L1697 HydrophobicContact CB-CD2 4.1Å; M1589-L1697 HydrophobicContact CB-CG 4.19Å; M1589-L1697 HydrophobicContact SD-CD2 4.46Å; M1589-L1697 HydrophobicContact SD-CG 4.27Å; E1593-L1697 HydrophobicContact CB-CD2 4.16Å; L1599-L1697 HydrophobicContact CD1-CD2 3.88Å; P1613-L1697 HydrophobicContact CB-CD1 4.43Å; P1613-L1697 HydrophobicContact CB-CD2 4.27Å; K1617-L1697 HydrophobicContact CG-CD1 4.37Å; L1697-T1700 WeakPolarHBondContact O-CB 3.32Å; L1697-T1700 PolarHBondContact O-N 2.88Å; L1697-F1701 VanDerWaalsContact O-CB 3.3Å; L1697-F1701 WeakPolarHBondContact O-CB 3.44Å; L1697-F1701 PolarHBondContact O-N 2.73Å
1698E75.5Confident74.1Confident8 Ų829.3 Ų29.34%0.03718%0.18CC..Hα-helixtrans-66.1-46.5174.6-165176.5-147.500112.3P705 R708 H709 M1589 S1696 T1700 F1701 M1702P705-E1698 HydrophobicContact CB-CG 4.4Å; P705-E1698 WeakPolarHBondContact CB-OE1 3.39Å; R708-E1698 IonicContact NH1-OE1 3.97Å; R708-E1698 PolarHBondContact NH1-OE1 2.71Å; R708-E1698 VanDerWaalsContact NH1-OE1 3.1Å; H709-E1698 IonicContact NE2-OE1 3.85Å; M1589-E1698 HydrophobicContact CB-CB 4.47Å; M1589-E1698 HydrophobicContact CG-CB 3.75Å; M1589-E1698 HydrophobicContact CG-CG 4.16Å; S1696-E1698 PolarHBondContact O-N 2.93Å; S1696-E1698 PolarHBondContact OG-N 2.99Å; E1698-T1700 VanDerWaalsContact C-N 3.27Å; E1698-T1700 PolarHBondContact O-N 3.01Å; E1698-F1701 WeakPolarHBondContact O-CB 3.37Å; E1698-F1701 PolarHBondContact O-N 3.46Å; E1698-F1701 VanDerWaalsContact O-N 3.16Å; E1698-M1702 WeakPolarHBondContact O-CG 3.42Å; E1698-M1702 PolarHBondContact O-N 2.76Å
1699Q75.7Confident74.1Confident56 Ų5627.4 Ų27.426%0.26217%0.168SC..Hα-helixtrans-60.7-39.3175-71.4176.4-19.500111.7P1695 S1696 T1703P1695-Q1699 VanDerWaalsContact CA-OE1 3.26Å; P1695-Q1699 HydrophobicContact CB-CB 4.29Å; S1696-Q1699 PolarHBondContact O-N 3.33Å; S1696-Q1699 PolarHBondContact OG-N 2.64Å; Q1699-T1703 PolarHBondContact O-N 3.18Å; Q1699-T1703 PolarHBondContact O-OG1 3.34Å
1700T74.6Confident74.2Confident1 Ų126.3 Ų26.31%0.00616%0.163CC..Hα-helixtrans-64.1-45.8174.6-54.30000110.9L1616 S1696 L1697 E1698 M1702 T1703 C1704L1616-T1700 HydrophobicContact CB-CG2 4.39Å; L1616-T1700 WeakPolarHBondContact O-CG2 3Å; S1696-T1700 PolarHBondContact O-N 3.06Å; S1696-T1700 VanDerWaalsContact O-N 3.09Å; S1696-T1700 PolarHBondContact O-OG1 3.02Å; L1697-T1700 WeakPolarHBondContact O-CB 3.32Å; L1697-T1700 PolarHBondContact O-N 2.88Å; E1698-T1700 VanDerWaalsContact C-N 3.27Å; E1698-T1700 PolarHBondContact O-N 3.01Å; T1700-M1702 PolarHBondContact O-N 2.77Å; T1700-T1703 WeakPolarHBondContact O-CB 3.46Å; T1700-T1703 PolarHBondContact O-N 3.46Å; T1700-C1704 PolarHBondContact O-N 3.34Å; T1700-C1704 PolarHBondContact O-SG 2.75Å; T1700-C1704 VanDerWaalsContact O-SG 3.35Å
1701F76.6Confident73.7Confident4 Ų427.2 Ų27.22%0.01817%0.17CC..Hα-helixtrans-59.8-44177.2170.2-95.7000112.2L1411 I1413 M1589 V1601 L1697 E1698 T1703 C1704 V1705L1411-F1701 HydrophobicContact CD2-CD2 3.42Å; L1411-F1701 VanDerWaalsContact CD2-CD2 3.42Å; L1411-F1701 HydrophobicContact CD2-CE2 3.9Å; L1411-F1701 HydrophobicContact CD2-CG 4.22Å; L1411-F1701 HydrophobicContact CG-CD2 3.88Å; L1411-F1701 HydrophobicContact CG-CE2 3.81Å; I1413-F1701 HydrophobicContact CG2-CE1 4.02Å; I1413-F1701 HydrophobicContact CG2-CZ 3.95Å; M1589-F1701 HydrophobicContact CE-CD1 4.4Å; M1589-F1701 HydrophobicContact CE-CD2 4.46Å; M1589-F1701 HydrophobicContact CE-CG 4.28Å; M1589-F1701 HydrophobicContact SD-CB 4.01Å; M1589-F1701 HydrophobicContact SD-CD2 4.48Å; M1589-F1701 HydrophobicContact SD-CG 4.16Å; V1601-F1701 HydrophobicContact CG1-CD2 3.94Å; V1601-F1701 HydrophobicContact CG1-CE2 3.72Å; V1601-F1701 HydrophobicContact CG2-CD2 4.33Å; L1697-F1701 VanDerWaalsContact O-CB 3.3Å; L1697-F1701 WeakPolarHBondContact O-CB 3.44Å; L1697-F1701 PolarHBondContact O-N 2.73Å; E1698-F1701 WeakPolarHBondContact O-CB 3.37Å; E1698-F1701 PolarHBondContact O-N 3.46Å; E1698-F1701 VanDerWaalsContact O-N 3.16Å; F1701-T1703 VanDerWaalsContact C-N 3.25Å; F1701-T1703 PolarHBondContact O-N 3.02Å; F1701-C1704 CarbonylContact O-C 3.45Å; F1701-C1704 WeakPolarHBondContact O-CA 3.25Å; F1701-C1704 WeakPolarHBondContact O-CB 3.23Å; F1701-C1704 PolarHBondContact O-N 2.93Å; F1701-C1704 VanDerWaalsContact O-N 3.09Å; F1701-V1705 HydrophobicContact CD1-CG2 4.12Å; F1701-V1705 HydrophobicContact CD2-CG2 4.18Å; F1701-V1705 HydrophobicContact CE1-CG2 3.68Å; F1701-V1705 HydrophobicContact CE2-CG2 3.78Å; F1701-V1705 HydrophobicContact CG-CG2 4.36Å; F1701-V1705 HydrophobicContact CZ-CG2 3.5Å; F1701-V1705 VanDerWaalsContact CZ-CG2 3.5Å; F1701-V1705 WeakPolarHBondContact O-CG2 3.43Å; F1701-V1705 PolarHBondContact O-N 3.35Å
1702M73.8Confident73.3Confident30 Ų3027.1 Ų27.115%0.14817%0.172CC..Hα-helixtrans-59.6-39.1176.4-71-63.1-72.900111.7Q706 E1698 T1700 V1705 G1706 V1707Q706-M1702 HydrophobicContact CB-CE 4.47Å; Q706-M1702 HydrophobicContact CG-CE 4.47Å; E1698-M1702 WeakPolarHBondContact O-CG 3.42Å; E1698-M1702 PolarHBondContact O-N 2.76Å; T1700-M1702 PolarHBondContact O-N 2.77Å; M1702-V1705 PolarHBondContact O-N 3.41Å; M1702-G1706 PolarHBondContact O-N 3.21Å; M1702-G1706 VanDerWaalsContact O-N 3.15Å; M1702-V1707 HydrophobicContact CE-CB 3.83Å; M1702-V1707 HydrophobicContact CE-CG1 3.89Å; M1702-V1707 HydrophobicContact CE-CG2 3.72Å; M1702-V1707 PolarHBondContact O-N 3.17Å; M1702-V1707 HydrophobicContact SD-CG2 4.46Å
1703T72.1Confident72.7Confident46 Ų4628.9 Ų28.928%0.28218%0.184SC..Hα-helixtrans-66.3-42.5174.1-500000111.3Y1620 K1622 Q1699 T1700 F1701 V1705 G1706Y1620-T1703 WeakPolarHBondContact O-CG2 3.47Å; K1622-T1703 WeakPolarHBondContact CE-OG1 3.44Å; K1622-T1703 HydrophobicContact CG-CG2 4.21Å; Q1699-T1703 PolarHBondContact O-N 3.18Å; Q1699-T1703 PolarHBondContact O-OG1 3.34Å; T1700-T1703 WeakPolarHBondContact O-CB 3.46Å; T1700-T1703 PolarHBondContact O-N 3.46Å; F1701-T1703 VanDerWaalsContact C-N 3.25Å; F1701-T1703 PolarHBondContact O-N 3.02Å; T1703-V1705 PolarHBondContact O-N 2.78Å; T1703-G1706 PolarHBondContact O-N 3.3Å
1704C69.7Low72Confident4 Ų430.2 Ų30.23%0.02719%0.192CC..Hα-helixtrans-61.7-41.2174-66.20000112.3K1608 Y1620 T1700 F1701 G1706K1608-C1704 WeakPolarHBondContact CD-O 3.2Å; K1608-C1704 WeakPolarHBondContact CE-O 3.42Å; K1608-C1704 PolarHBondContact NZ-O 2.73Å; Y1620-C1704 WeakPolarHBondContact CB-SG 3.4Å; Y1620-C1704 WeakPolarHBondContact CD2-SG 3.26Å; T1700-C1704 PolarHBondContact O-N 3.34Å; T1700-C1704 PolarHBondContact O-SG 2.75Å; T1700-C1704 VanDerWaalsContact O-SG 3.35Å; F1701-C1704 CarbonylContact O-C 3.45Å; F1701-C1704 WeakPolarHBondContact O-CA 3.25Å; F1701-C1704 WeakPolarHBondContact O-CB 3.23Å; F1701-C1704 PolarHBondContact O-N 2.93Å; F1701-C1704 VanDerWaalsContact O-N 3.09Å; C1704-G1706 VanDerWaalsContact C-N 3.27Å; C1704-G1706 PolarHBondContact O-N 3.44Å
1705V69.7Low71.1Confident19 Ų1930.3 Ų30.312%0.11520%0.196CC..Hα-helixtrans-67.2-31.5-179.51750000110.9V1603 K1608 F1701 M1702 T1703 V1707V1603-V1705 HydrophobicContact CG2-CG1 4.48Å; V1603-V1705 HydrophobicContact CG2-CG2 4.05Å; K1608-V1705 PolarHBondContact NZ-O 3.04Å; F1701-V1705 HydrophobicContact CD1-CG2 4.12Å; F1701-V1705 HydrophobicContact CD2-CG2 4.18Å; F1701-V1705 HydrophobicContact CE1-CG2 3.68Å; F1701-V1705 HydrophobicContact CE2-CG2 3.78Å; F1701-V1705 HydrophobicContact CG-CG2 4.36Å; F1701-V1705 HydrophobicContact CZ-CG2 3.5Å; F1701-V1705 VanDerWaalsContact CZ-CG2 3.5Å; F1701-V1705 WeakPolarHBondContact O-CG2 3.43Å; F1701-V1705 PolarHBondContact O-N 3.35Å; M1702-V1705 PolarHBondContact O-N 3.41Å; T1703-V1705 PolarHBondContact O-N 2.78Å; V1705-V1707 HydrophobicContact CG1-CG2 4.23Å
1706G60.1Low70.6Confident59 Ų5932.5 Ų32.561%0.60821%0.21SC*.THydrogen-bonded Turntrans89.147.7179.200000112.1M1702 T1703 C1704M1702-G1706 PolarHBondContact O-N 3.21Å; M1702-G1706 VanDerWaalsContact O-N 3.15Å; T1703-G1706 PolarHBondContact O-N 3.3Å; C1704-G1706 VanDerWaalsContact C-N 3.27Å; C1704-G1706 PolarHBondContact O-N 3.44Å
1707V46.1Very low70.1Confident120 Ų12032 Ų3273%0.72721%0.205SC*.  trans-88.80171-177.50000110.5M1702 V1705M1702-V1707 HydrophobicContact CE-CB 3.83Å; M1702-V1707 HydrophobicContact CE-CG1 3.89Å; M1702-V1707 HydrophobicContact CE-CG2 3.72Å; M1702-V1707 PolarHBondContact O-N 3.17Å; M1702-V1707 HydrophobicContact SD-CG2 4.46Å; V1705-V1707 HydrophobicContact CG1-CG2 4.23Å

Retrieved 1,707 of 1,707 residues in 7384.5 ms (Link to these results)

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