A0A077Z0W2_TRITR Loading...

Voltage-dependent L-type calcium channel subunit alpha

Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death.

AlphaFold DB , UniProt , Accession A0A077Z0W2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,520 aa.

>A0A077Z0W2_TRITR|A0A077Z0W2
MICANCLALAFYQPYPNFDSDRRNMILEQLEYAFVIIFTIESALKIVAHGFVLHPGAYLRNGWNVLDFVIVVVGNCSTLFAFLNIPNVDVKALRAFRVLRPLRLVSGVPSLQIVLNSILQAMVPLFHVALLVLFVIIIYAVMGLELFCGKLNRTCVNANTGEPVDSEPVPCGFGSSARHCAISENCTETEHWSGPNQGITNFDNIGFAMLTVFTCISQEGWSDVMYWVNDAIGTEWPWLYFVSLVVLGSFFVLNLILGVLSGEFSKEREKARVRGLFRKRREKVQLEEELRSYLNWIMQAEDILDVDADQEIYEMETSDENAVKVVEYTVEHWISRCSRWCMTNMQKFRISNLKVRRYGRMLIKSQAFYWTVLVMVFLNTFVLTLEHYQQPEWLEDLQDVVNICFITLFALEMMLKMYCLGFYNYFISLFNRFDCFVVLCSIAEISLTQAKVIKPLGLSVLRAARLLRIFKITRYWNSLRNLVASLLNSLRSIVSLLLLLFLFIVIFALLGMQIFGGRFKYDSHQPMPRSNFDTFAQSLLTVFQILTGEDWNSVMYIGIDSFGGATSPGIVVCLYFIVLFICGNYVLLNVFLAIAVDNLADTDSNGDDGNAKAEENGAGENEEEGDEQVNNDDDNKQKCNGGDKRGENASDKVAIIMPSPGKRRSTISQADPTSMLLPKHNSLFIFSSKNRFRILSAKLIRHSYFKNLVLLCILVSSALLAAEDPLTKQSSLNEILGFFDIFFTTVFTIEILLKIVVDGLLLHKGSFCRNAFNLLDLLVVCVSLASFGLKKEAISVVKILRVLRVLRPLRAINRAKGLKRVVQCVIVAVKTIGNILLVTSMLQFMFAIIGVQLFKGTFFRCTDPVRSTPESCKGYFIEFQEGDMTKPVVKQREWINNDFNFDNIKNALVSLFVVGTFEGWPQLLYVAIDSTAEGRGPIYNYRQTVAIFFISYIVVIAFFMQNIFVGFVIVTFQNEGEREYEHCELDKNQRKCIEFTLNAKPQRRYVPKTRLRYKIWLFVTSSYFEYGILVIIILNTAVLAMRHHQPNPVMEEVLDFLNFVFTSIFAAEVLLKLIAFTIVNYFADAWNVFDFIVVLGSVIDIICSKLATRESLISMNFFRLFRVMRLVKLLGRGEGIRTLVWTFLKSFQALPYVVLLIVLLFFIYAVIGMQVFGKIALNDETQIHRHNNFRTFYTSLLVLFRSATGEAWQNIMLDCSDRPSVVCDKDFSFEEGEEKGSTGCGTDFAYPYFISFFLLSSCLIINLFVAIIMDNFDYLTRDWSILGPHHLEEFVRLWSEFDPDARGRIKHLDVLILLRKITPPLGFGDFCPHRIACKRLISMNMSLHPDGTVGFHATLIALVRTNLNIYSEDPIELANTKLRSFIRRVWKRTSPEFLDEILPLTTGEDDVTVGKFYATFLIQDYFLRFKRRKLWEKKRKHDLSKQMKLLQAGLRDNLEAEKAPEPKRRWSGYLLADWKKDFEQPQHRRNHFLFNTFNERPTTSRSSSFSSTEAMERFADGFLK
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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
1M79.6Confident85.9Confident146 Ų14656.6 Ų56.672%0.71932%0.316SS*.  0-54.70-65.2-49.2171.900113.1C3 A4 N5M1-C3 PolarHBondContact O-N 3.22Å; M1-A4 WeakPolarHBondContact O-CB 3.45Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-A4 VanDerWaalsContact O-N 3.09Å; M1-N5 PolarHBondContact O-N 2.94Å
2I81.7Confident86.1Confident50 Ų5056.1 Ų56.126%0.25631%0.306SS..Hα-helixtrans-54.7-48.8179.4-62164.2000111.8A4 N5 C6 R103I2-A4 VanDerWaalsContact C-N 3.32Å; I2-A4 PolarHBondContact O-N 3.45Å; I2-N5 WeakPolarHBondContact O-CB 3.42Å; I2-N5 PolarHBondContact O-N 2.82Å; I2-N5 VanDerWaalsContact O-N 3.13Å; I2-C6 PolarHBondContact O-N 2.94Å; I2-C6 PolarHBondContact O-SG 3.48Å; I2-R103 HydrophobicContact CD1-CB 3.8Å; I2-R103 HydrophobicContact CG1-CB 4.43Å; I2-R103 HydrophobicContact CG2-CB 4.5Å
3C82.4Confident86.2Confident81 Ų8155.8 Ų55.855%0.54730%0.301SS..Hα-helixtrans-58.7-40.5177.1-56.80000112.9M1 N5 C6 L7M1-C3 PolarHBondContact O-N 3.22Å; C3-N5 VanDerWaalsContact C-N 3.33Å; C3-N5 PolarHBondContact O-N 3.4Å; C3-C6 PolarHBondContact O-N 3.39Å; C3-L7 WeakPolarHBondContact O-CG 3.27Å; C3-L7 PolarHBondContact O-N 3.41Å
4A87.7Confident86.1Confident45 Ų4552.8 Ų52.837%0.37229%0.286SS..Hα-helixtrans-64.9-36.7177.400000112.1M1 I2 L7 A8 F34M1-A4 WeakPolarHBondContact O-CB 3.45Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-A4 VanDerWaalsContact O-N 3.09Å; I2-A4 VanDerWaalsContact C-N 3.32Å; I2-A4 PolarHBondContact O-N 3.45Å; A4-L7 PolarHBondContact O-N 3.19Å; A4-A8 WeakPolarHBondContact O-CB 3.49Å; A4-A8 PolarHBondContact O-N 3.49Å; A4-F34 HydrophobicContact CB-CE1 4.37Å; A4-F34 HydrophobicContact CB-CZ 4.18Å
5N85.2Confident85.9Confident1 Ų153.9 Ų53.91%0.00529%0.285CS..Hα-helixtrans-67.7-41.5173.9-165.3-33.9000111.8M1 I2 C3 L7 A8 L9 F34 F38 R100M1-N5 PolarHBondContact O-N 2.94Å; I2-N5 WeakPolarHBondContact O-CB 3.42Å; I2-N5 PolarHBondContact O-N 2.82Å; I2-N5 VanDerWaalsContact O-N 3.13Å; C3-N5 VanDerWaalsContact C-N 3.33Å; C3-N5 PolarHBondContact O-N 3.4Å; N5-L7 VanDerWaalsContact C-N 3.33Å; N5-L7 PolarHBondContact O-N 2.9Å; N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.21Å; N5-L9 WeakPolarHBondContact O-CG 3.33Å; N5-L9 PolarHBondContact O-N 3.07Å; N5-F34 HydrophobicContact CB-CD1 4.28Å; N5-F34 HydrophobicContact CB-CD2 4.01Å; N5-F34 HydrophobicContact CB-CE1 4.21Å; N5-F34 HydrophobicContact CB-CE2 3.9Å; N5-F34 HydrophobicContact CB-CG 4.2Å; N5-F34 HydrophobicContact CB-CZ 4.02Å; N5-F34 WeakPolarHBondContact ND2-CB 2.99Å; N5-F34 WeakPolarHBondContact ND2-CG 3Å; N5-F38 VanDerWaalsContact ND2-CE2 3.25Å; N5-F38 WeakPolarHBondContact ND2-CE2 3.44Å; N5-R100 PolarHBondContact ND2-NH1 3.01Å; N5-R100 PolarHBondContact OD1-NH1 2.81Å
6C86.1Confident85.6Confident26 Ų2653.9 Ų53.918%0.17629%0.289CS..Hα-helixtrans-61.8-41.8174.9-58.70000111.5I2 C3 L9 A10I2-C6 PolarHBondContact O-N 2.94Å; I2-C6 PolarHBondContact O-SG 3.48Å; C3-C6 PolarHBondContact O-N 3.39Å; C6-L9 PolarHBondContact O-N 2.85Å; C6-A10 WeakPolarHBondContact O-CB 3.43Å; C6-A10 PolarHBondContact O-N 3.25Å
7L87.9Confident85.1Confident99 Ų9960 Ų6052%0.51832%0.322SS..Hα-helixtrans-63.5-40.3174-71.9172000111.9C3 A4 N5 L9 A10 F11C3-L7 WeakPolarHBondContact O-CG 3.27Å; C3-L7 PolarHBondContact O-N 3.41Å; A4-L7 PolarHBondContact O-N 3.19Å; N5-L7 VanDerWaalsContact C-N 3.33Å; N5-L7 PolarHBondContact O-N 2.9Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.39Å; L7-A10 PolarHBondContact O-N 3.36Å; L7-F11 HydrophobicContact CB-CD2 4.49Å; L7-F11 HydrophobicContact CB-CE2 4.24Å; L7-F11 WeakPolarHBondContact O-CD2 3.2Å; L7-F11 WeakPolarHBondContact O-CG 3.43Å; L7-F11 PolarHBondContact O-N 3.12Å
8A88.7Confident84.4Confident10 Ų1066.3 Ų66.38%0.08335%0.346CS..Hα-helixtrans-61.8-42175.600000112A4 N5 A10 F11 Y12 L27 L30 F34A4-A8 WeakPolarHBondContact O-CB 3.49Å; A4-A8 PolarHBondContact O-N 3.49Å; N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.21Å; A8-A10 VanDerWaalsContact C-N 3.34Å; A8-F11 PolarHBondContact O-N 3.02Å; A8-Y12 PolarHBondContact O-N 2.93Å; A8-L27 HydrophobicContact CB-CD2 3.99Å; A8-L30 HydrophobicContact CB-CD2 3.66Å; A8-F34 HydrophobicContact CB-CE2 3.89Å
9L87.3Confident84.3Confident8 Ų868.6 Ų68.64%0.04236%0.359CS..Hα-helixtrans-64.7-36.5173.8-69.7171.3000112.3N5 C6 L7 Y12 R97 L509N5-L9 WeakPolarHBondContact O-CG 3.33Å; N5-L9 PolarHBondContact O-N 3.07Å; C6-L9 PolarHBondContact O-N 2.85Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.39Å; L9-Y12 WeakPolarHBondContact O-CB 3.41Å; L9-Y12 PolarHBondContact O-N 3.06Å; L9-R97 HydrophobicContact CD2-CB 4.47Å; L9-L509 HydrophobicContact CB-CD1 4.2Å; L9-L509 HydrophobicContact CB-CD2 4.07Å; L9-L509 HydrophobicContact CD1-CD1 4.5Å
10A88.5Confident84.2Confident17 Ų1768.3 Ų68.314%0.1436%0.362CS..Hα-helixtrans-72.1-32.4178.400000113.2C6 L7 A8 Y12 L509 F535C6-A10 WeakPolarHBondContact O-CB 3.43Å; C6-A10 PolarHBondContact O-N 3.25Å; L7-A10 PolarHBondContact O-N 3.36Å; A8-A10 VanDerWaalsContact C-N 3.34Å; A10-Y12 VanDerWaalsContact C-N 3.33Å; A10-L509 HydrophobicContact CB-CD2 4.44Å; A10-F535 HydrophobicContact CB-CB 4.38Å; A10-F535 HydrophobicContact CB-CD1 3.92Å; A10-F535 HydrophobicContact CB-CD2 3.9Å; A10-F535 HydrophobicContact CB-CE1 4.16Å; A10-F535 HydrophobicContact CB-CE2 4.14Å; A10-F535 HydrophobicContact CB-CG 3.78Å; A10-F535 HydrophobicContact CB-CZ 4.26Å; A10-F535 VanDerWaalsContact O-CB 3.22Å; A10-F535 WeakPolarHBondContact O-CB 3.35Å
11F90Very high84.4Confident140 Ų14067.9 Ų67.961%0.61436%0.36SS*.Hα-helixtrans-81.3-12.5176.1-68.8-49.1000113.9L7 A8 Q13 L27L7-F11 HydrophobicContact CB-CD2 4.49Å; L7-F11 HydrophobicContact CB-CE2 4.24Å; L7-F11 WeakPolarHBondContact O-CD2 3.2Å; L7-F11 WeakPolarHBondContact O-CG 3.43Å; L7-F11 PolarHBondContact O-N 3.12Å; A8-F11 PolarHBondContact O-N 3.02Å; F11-Q13 PolarHBondContact O-N 3.03Å; F11-L27 HydrophobicContact CB-CD1 4.12Å
12Y87.7Confident84.9Confident50 Ų5070 Ų7020%0.19636%0.36CS..  trans-67.2123.6175179.9-91.1000110A8 L9 A10 P14 N24 M512A8-Y12 PolarHBondContact O-N 2.93Å; L9-Y12 WeakPolarHBondContact O-CB 3.41Å; L9-Y12 PolarHBondContact O-N 3.06Å; A10-Y12 VanDerWaalsContact C-N 3.33Å; Y12-P14 HydrophobicContact CE1-CB 4.22Å; Y12-N24 HydrophobicContact CD2-CB 4.38Å; Y12-N24 HydrophobicContact CE2-CB 4.2Å; Y12-M512 WeakPolarHBondContact O-CE 3.36Å
13Q88.3Confident85.3Confident53 Ų5373.6 Ų73.625%0.24837%0.371CS..  trans-109.7108.9-179.4-174.7169.7-5.200109.9F11 Y15 R23 N24F11-Q13 PolarHBondContact O-N 3.03Å; Q13-Y15 HydrophobicContact CB-CE2 4.14Å; Q13-Y15 HydrophobicContact CG-CE2 4.07Å; Q13-Y15 VanDerWaalsContact O-CD2 3.25Å; Q13-Y15 WeakPolarHBondContact O-CD2 3.35Å; Q13-Y15 PolarHBondContact O-N 2.91Å; Q13-Y15 PolarHBondContact OE1-OH 2.93Å; Q13-R23 VanDerWaalsContact OE1-NH2 3.09Å; Q13-N24 PolarHBondContact N-OD1 2.86Å; Q13-N24 VanDerWaalsContact N-OD1 3.11Å; Q13-N24 PolarHBondContact O-ND2 3.39Å
14P84.2Confident85.6Confident13 Ų1369.8 Ų69.88%0.08435%0.345CS..  trans-69.2130.4175.727.9-33.6000110.7Y12 G516 D533Y12-P14 HydrophobicContact CE1-CB 4.22Å; P14-G516 VanDerWaalsContact CG-CA 3.48Å; P14-D533 WeakPolarHBondContact CD-O 3.41Å
15Y82.7Confident85.5Confident69 Ų6972.4 Ų72.427%0.27135%0.351SS..  trans-109.5152.1173.9-69.9-86.8000110.9Q13 D21Q13-Y15 HydrophobicContact CB-CE2 4.14Å; Q13-Y15 HydrophobicContact CG-CE2 4.07Å; Q13-Y15 VanDerWaalsContact O-CD2 3.25Å; Q13-Y15 WeakPolarHBondContact O-CD2 3.35Å; Q13-Y15 PolarHBondContact O-N 2.91Å; Q13-Y15 PolarHBondContact OE1-OH 2.93Å; Y15-D21 HydrophobicContact CE2-CB 3.84Å
16P80.9Confident85.8Confident55 Ų5576.4 Ų76.436%0.35737%0.371SS..G310 helixtrans-61.2159.5174.923.9-33000112.3F18 D19 G517P16-F18 VanDerWaalsContact C-N 3.3Å; P16-F18 PolarHBondContact O-N 3.14Å; P16-F18 VanDerWaalsContact O-N 3.1Å; P16-D19 WeakPolarHBondContact O-CB 3.46Å; P16-D19 PolarHBondContact O-N 3.18Å; P16-D19 VanDerWaalsContact O-N 3.09Å; P16-G517 VanDerWaalsContact CA-O 3.3Å; P16-G517 WeakPolarHBondContact CA-O 3.47Å; P16-G517 VanDerWaalsContact CB-O 3.26Å; P16-G517 WeakPolarHBondContact CB-O 3.37Å
17N77Confident85.9Confident157 Ų15776.4 Ų76.484%0.8437%0.369SS*.G310 helixtrans53.236.3165.4-60.5-29.9000116.5D19N17-D19 PolarHBondContact O-N 3.27Å
18F72.9Confident85.7Confident174 Ų17474.3 Ų74.376%0.76336%0.357SS*.G310 helixtrans65.118179.4-55-97.6000114.9P16 K91P16-F18 VanDerWaalsContact C-N 3.3Å; P16-F18 PolarHBondContact O-N 3.14Å; P16-F18 VanDerWaalsContact O-N 3.1Å; F18-K91 HydrophobicContact CE1-CD 4.45Å; F18-K91 VanDerWaalsContact CE1-CE 3.41Å
19D83.5Confident85.6Confident110 Ų11079.9 Ų79.959%0.58838%0.381SS*.  trans-72.5158.8173.1-163.411.4000111.8P16 N17P16-D19 WeakPolarHBondContact O-CB 3.46Å; P16-D19 PolarHBondContact O-N 3.18Å; P16-D19 VanDerWaalsContact O-N 3.09Å; N17-D19 PolarHBondContact O-N 3.27Å
20S82.4Confident85.6Confident61 Ų6183.1 Ų83.143%0.42740%0.398SS..  trans-158.2141.1-179-164.50000112.7N24S20-N24 VanDerWaalsContact OG-CB 3.3Å; S20-N24 WeakPolarHBondContact OG-CB 3.4Å
21D88Confident85.4Confident60 Ų6083.5 Ų83.532%0.32140%0.397SS..  trans-92.4161.3175.1-176.920.7000111.7Y15 R23 N24 M25Y15-D21 HydrophobicContact CE2-CB 3.84Å; D21-R23 PolarHBondContact O-N 3.27Å; D21-R23 VanDerWaalsContact O-N 3.12Å; D21-R23 IonicContact OD2-CZ 3.39Å; D21-R23 IonicContact OD2-NE 2.84Å; D21-R23 PolarHBondContact OD2-NE 3.01Å; D21-R23 IonicContact OD2-NH2 2.79Å; D21-R23 PolarHBondContact OD2-NH2 3.49Å; D21-N24 WeakPolarHBondContact O-CB 3.36Å; D21-N24 PolarHBondContact O-N 3.26Å; D21-M25 PolarHBondContact O-N 2.79Å
22R90.8Very high85.1Confident190 Ų19082.6 Ų82.672%0.71739%0.39SS*.Hα-helixtrans-52.4-35.2174.9-175.8178.9179.6-178.61.3112.2M25 I26R22-M25 PolarHBondContact O-N 3.42Å; R22-I26 HydrophobicContact CG-CD1 4.3Å; R22-I26 WeakPolarHBondContact O-CG1 3.27Å; R22-I26 PolarHBondContact O-N 2.81Å; R22-I26 VanDerWaalsContact O-N 3.15Å
23R89.7Confident85.2Confident127 Ų12782.4 Ų82.448%0.47940%0.399SS..Hα-helixtrans-62.3-46.5176.7-67-178.1-65.9152.48.5111.8Q13 D21 M25 I26 L27Q13-R23 VanDerWaalsContact OE1-NH2 3.09Å; D21-R23 PolarHBondContact O-N 3.27Å; D21-R23 VanDerWaalsContact O-N 3.12Å; D21-R23 IonicContact OD2-CZ 3.39Å; D21-R23 IonicContact OD2-NE 2.84Å; D21-R23 PolarHBondContact OD2-NE 3.01Å; D21-R23 IonicContact OD2-NH2 2.79Å; D21-R23 PolarHBondContact OD2-NH2 3.49Å; R23-M25 VanDerWaalsContact C-N 3.33Å; R23-M25 PolarHBondContact O-N 3.48Å; R23-I26 PolarHBondContact O-N 3.47Å; R23-L27 WeakPolarHBondContact O-CG 2.96Å; R23-L27 PolarHBondContact O-N 2.77Å
24N87.6Confident85.2Confident1 Ų180.5 Ų80.51%0.00539%0.39CS..Hα-helixtrans-62.9-40.9178.2-72.5-10.4000111.5Y12 Q13 S20 D21 I26 L27 E28Y12-N24 HydrophobicContact CD2-CB 4.38Å; Y12-N24 HydrophobicContact CE2-CB 4.2Å; Q13-N24 PolarHBondContact N-OD1 2.86Å; Q13-N24 VanDerWaalsContact N-OD1 3.11Å; Q13-N24 PolarHBondContact O-ND2 3.39Å; S20-N24 VanDerWaalsContact OG-CB 3.3Å; S20-N24 WeakPolarHBondContact OG-CB 3.4Å; D21-N24 WeakPolarHBondContact O-CB 3.36Å; D21-N24 PolarHBondContact O-N 3.26Å; N24-I26 VanDerWaalsContact C-N 3.31Å; N24-I26 PolarHBondContact O-N 2.66Å; N24-L27 PolarHBondContact O-N 2.56Å; N24-L27 VanDerWaalsContact O-N 3.12Å; N24-E28 WeakPolarHBondContact O-CG 3.34Å; N24-E28 PolarHBondContact O-N 2.64Å
25M86.6Confident85.2Confident99 Ų9980.4 Ų80.449%0.48839%0.389SS..Hα-helixtrans-59.6-41.4176-173.5-178.667.800112.1D21 R22 R23 E28 Q29D21-M25 PolarHBondContact O-N 2.79Å; R22-M25 PolarHBondContact O-N 3.42Å; R23-M25 VanDerWaalsContact C-N 3.33Å; R23-M25 PolarHBondContact O-N 3.48Å; M25-E28 PolarHBondContact O-N 3.32Å; M25-Q29 WeakPolarHBondContact O-CG 3.5Å; M25-Q29 PolarHBondContact O-N 2.95Å; M25-Q29 VanDerWaalsContact O-N 3.16Å
26I91Very high85.5Confident86 Ų8682 Ų8244%0.44140%0.401SS..Hα-helixtrans-65.2-41.4175-66.5165.9000110.8R22 R23 N24 Q29 L30R22-I26 HydrophobicContact CG-CD1 4.3Å; R22-I26 WeakPolarHBondContact O-CG1 3.27Å; R22-I26 PolarHBondContact O-N 2.81Å; R22-I26 VanDerWaalsContact O-N 3.15Å; R23-I26 PolarHBondContact O-N 3.47Å; N24-I26 VanDerWaalsContact C-N 3.31Å; N24-I26 PolarHBondContact O-N 2.66Å; I26-Q29 WeakPolarHBondContact O-CB 3.32Å; I26-Q29 PolarHBondContact O-N 2.73Å; I26-L30 PolarHBondContact O-N 2.88Å
27L89.2Confident85.9Confident25 Ų2582.7 Ų82.713%0.13140%0.401CS..Hα-helixtrans-65.1-40178.4-68.7169.6000111.9A8 F11 R23 N24 Q29 L30 E31A8-L27 HydrophobicContact CB-CD2 3.99Å; F11-L27 HydrophobicContact CB-CD1 4.12Å; R23-L27 WeakPolarHBondContact O-CG 2.96Å; R23-L27 PolarHBondContact O-N 2.77Å; N24-L27 PolarHBondContact O-N 2.56Å; N24-L27 VanDerWaalsContact O-N 3.12Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.02Å; L27-L30 WeakPolarHBondContact O-CB 3.12Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-E31 WeakPolarHBondContact O-CG 3.27Å; L27-E31 PolarHBondContact O-N 3.49Å
28E83Confident86.4Confident55 Ų5575.5 Ų75.526%0.25736%0.363SS..Hα-helixtrans-62.7-37.7173.8-72.4-167.4149.300112N24 M25 E31 Y32 R94N24-E28 WeakPolarHBondContact O-CG 3.34Å; N24-E28 PolarHBondContact O-N 2.64Å; M25-E28 PolarHBondContact O-N 3.32Å; E28-E31 WeakPolarHBondContact O-CB 3.09Å; E28-E31 PolarHBondContact O-N 3.18Å; E28-Y32 VanDerWaalsContact O-CD2 3.23Å; E28-Y32 WeakPolarHBondContact O-CD2 3.39Å; E28-R94 IonicContact OE1-CZ 2.83Å; E28-R94 IonicContact OE1-NH1 3.17Å; E28-R94 PolarHBondContact OE1-NH1 2.95Å; E28-R94 IonicContact OE1-NH2 3.03Å
29Q86Confident87.2Confident128 Ų12869.4 Ų69.460%0.59834%0.339SS*.Hα-helixtrans-64-43172.8-71.9-178.9-4.700112.1M25 I26 L27 E31 Y32M25-Q29 WeakPolarHBondContact O-CG 3.5Å; M25-Q29 PolarHBondContact O-N 2.95Å; M25-Q29 VanDerWaalsContact O-N 3.16Å; I26-Q29 WeakPolarHBondContact O-CB 3.32Å; I26-Q29 PolarHBondContact O-N 2.73Å; L27-Q29 VanDerWaalsContact C-N 3.33Å; L27-Q29 PolarHBondContact O-N 3.02Å; Q29-E31 PolarHBondContact O-N 3.31Å; Q29-Y32 PolarHBondContact O-N 3.43Å
30L88.5Confident87.6Confident76 Ų7668.8 Ų68.840%0.39834%0.335SS..Hα-helixtrans-62.6-31.9176.8-168.699.9000111.8A8 I26 L27 Y32 A33 F34A8-L30 HydrophobicContact CB-CD2 3.66Å; I26-L30 PolarHBondContact O-N 2.88Å; L27-L30 WeakPolarHBondContact O-CB 3.12Å; L27-L30 PolarHBondContact O-N 3.07Å; L30-Y32 PolarHBondContact O-N 3.4Å; L30-A33 WeakPolarHBondContact O-CB 3.44Å; L30-A33 PolarHBondContact O-N 3.38Å; L30-F34 HydrophobicContact CD2-CD2 4.23Å; L30-F34 HydrophobicContact CD2-CE2 3.28Å; L30-F34 HydrophobicContact CD2-CZ 3.63Å; L30-F34 HydrophobicContact CG-CD2 4.42Å; L30-F34 HydrophobicContact CG-CE2 3.81Å; L30-F34 HydrophobicContact CG-CZ 4.11Å; L30-F34 WeakPolarHBondContact O-CD2 3.36Å; L30-F34 PolarHBondContact O-N 3.03Å; L30-F34 VanDerWaalsContact O-N 3.13Å
31E82.9Confident87.9Confident24 Ų2469.1 Ų69.111%0.11233%0.33CS..Hα-helixtrans-63-38176.4-74.2-175.6129.200113.4L27 E28 Q29 A33 F34 V35 R97L27-E31 WeakPolarHBondContact O-CG 3.27Å; L27-E31 PolarHBondContact O-N 3.49Å; E28-E31 WeakPolarHBondContact O-CB 3.09Å; E28-E31 PolarHBondContact O-N 3.18Å; Q29-E31 PolarHBondContact O-N 3.31Å; E31-A33 VanDerWaalsContact C-N 3.27Å; E31-A33 PolarHBondContact O-N 2.89Å; E31-F34 PolarHBondContact O-N 3.35Å; E31-F34 VanDerWaalsContact O-N 3.16Å; E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.32Å; E31-R97 IonicContact OE1-CZ 3.48Å; E31-R97 IonicContact OE1-NE 2.73Å; E31-R97 IonicContact OE1-NH1 3.27Å; E31-R97 PolarHBondContact OE1-NH1 2.8Å; E31-R97 IonicContact OE2-CZ 3.61Å; E31-R97 IonicContact OE2-NH1 2.62Å; E31-R97 PolarHBondContact OE2-NH1 3.48Å
32Y85Confident87.9Confident121 Ų12166.5 Ų66.548%0.47532%0.317SS..Hα-helixtrans-59.8-42174.5-71.4-74.6000110.9E28 Q29 L30 F34 V35 I36 T78E28-Y32 VanDerWaalsContact O-CD2 3.23Å; E28-Y32 WeakPolarHBondContact O-CD2 3.39Å; Q29-Y32 PolarHBondContact O-N 3.43Å; L30-Y32 PolarHBondContact O-N 3.4Å; Y32-F34 VanDerWaalsContact C-N 3.33Å; Y32-F34 PolarHBondContact O-N 2.83Å; Y32-V35 PolarHBondContact O-N 3.09Å; Y32-I36 WeakPolarHBondContact O-CD1 3.35Å; Y32-I36 VanDerWaalsContact O-CG1 3.28Å; Y32-I36 WeakPolarHBondContact O-CG1 3.43Å; Y32-I36 PolarHBondContact O-N 3.09Å; Y32-T78 HydrophobicContact CD1-CG2 3.81Å; Y32-T78 HydrophobicContact CE1-CG2 3.57Å
33A88.3Confident87.9Confident46 Ų4659.8 Ų59.838%0.3830%0.302SS..Hα-helixtrans-60-43.1175.200000111.6L30 E31 I36 I37L30-A33 WeakPolarHBondContact O-CB 3.44Å; L30-A33 PolarHBondContact O-N 3.38Å; E31-A33 VanDerWaalsContact C-N 3.27Å; E31-A33 PolarHBondContact O-N 2.89Å; A33-I36 PolarHBondContact O-N 2.8Å; A33-I37 WeakPolarHBondContact O-CD1 3.44Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.38Å; A33-I37 PolarHBondContact O-N 3.4Å
34F88.2Confident88Confident14 Ų1459.2 Ų59.26%0.06131%0.308CS..Hα-helixtrans-64.7-41.7176.7-68.8-47.4000113.6A4 N5 A8 L30 E31 Y32 I36 I37 F38A4-F34 HydrophobicContact CB-CE1 4.37Å; A4-F34 HydrophobicContact CB-CZ 4.18Å; N5-F34 HydrophobicContact CB-CD1 4.28Å; N5-F34 HydrophobicContact CB-CD2 4.01Å; N5-F34 HydrophobicContact CB-CE1 4.21Å; N5-F34 HydrophobicContact CB-CE2 3.9Å; N5-F34 HydrophobicContact CB-CG 4.2Å; N5-F34 HydrophobicContact CB-CZ 4.02Å; N5-F34 WeakPolarHBondContact ND2-CB 2.99Å; N5-F34 WeakPolarHBondContact ND2-CG 3Å; A8-F34 HydrophobicContact CB-CE2 3.89Å; L30-F34 HydrophobicContact CD2-CD2 4.23Å; L30-F34 HydrophobicContact CD2-CE2 3.28Å; L30-F34 HydrophobicContact CD2-CZ 3.63Å; L30-F34 HydrophobicContact CG-CD2 4.42Å; L30-F34 HydrophobicContact CG-CE2 3.81Å; L30-F34 HydrophobicContact CG-CZ 4.11Å; L30-F34 WeakPolarHBondContact O-CD2 3.36Å; L30-F34 PolarHBondContact O-N 3.03Å; L30-F34 VanDerWaalsContact O-N 3.13Å; E31-F34 PolarHBondContact O-N 3.35Å; E31-F34 VanDerWaalsContact O-N 3.16Å; Y32-F34 VanDerWaalsContact C-N 3.33Å; Y32-F34 PolarHBondContact O-N 2.83Å; F34-I36 VanDerWaalsContact C-N 3.34Å; F34-I37 PolarHBondContact O-N 3.08Å; F34-F38 HydrophobicContact CB-CE2 4.36Å; F34-F38 VanDerWaalsContact O-CD2 3.23Å; F34-F38 WeakPolarHBondContact O-CD2 3.47Å; F34-F38 VanDerWaalsContact O-CG 3.3Å; F34-F38 WeakPolarHBondContact O-CG 3.38Å; F34-F38 PolarHBondContact O-N 3.44Å
35V85Confident88.1Confident11 Ų1161.6 Ų61.67%0.06732%0.318CS..Hα-helixtrans-62.7-42.91781730000110.6E31 Y32 F38 T39E31-V35 WeakPolarHBondContact O-CG2 3.44Å; E31-V35 PolarHBondContact O-N 3.32Å; Y32-V35 PolarHBondContact O-N 3.09Å; V35-F38 PolarHBondContact O-N 2.94Å; V35-T39 WeakPolarHBondContact O-CB 3.13Å; V35-T39 PolarHBondContact O-N 3.2Å; V35-T39 PolarHBondContact O-OG1 2.85Å
36I88.3Confident88.3Confident102 Ų10258.9 Ų58.952%0.52331%0.305SS..Hα-helixtrans-60.8-50.5176.8-67.6165.2000110.6Y32 A33 F34 F38 T39 I40Y32-I36 WeakPolarHBondContact O-CD1 3.35Å; Y32-I36 VanDerWaalsContact O-CG1 3.28Å; Y32-I36 WeakPolarHBondContact O-CG1 3.43Å; Y32-I36 PolarHBondContact O-N 3.09Å; A33-I36 PolarHBondContact O-N 2.8Å; F34-I36 VanDerWaalsContact C-N 3.34Å; I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 2.89Å; I36-T39 PolarHBondContact O-N 3.2Å; I36-T39 VanDerWaalsContact O-N 3.15Å; I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 3.5Å
37I89.6Confident88.3Confident69 Ų6960.7 Ų60.735%0.35432%0.32SS..Hα-helixtrans-57.7-46.1-179.8-69.2165.9000111.1A33 F34 T39 I40 E41A33-I37 WeakPolarHBondContact O-CD1 3.44Å; A33-I37 VanDerWaalsContact O-CG1 3.25Å; A33-I37 WeakPolarHBondContact O-CG1 3.38Å; A33-I37 PolarHBondContact O-N 3.4Å; F34-I37 PolarHBondContact O-N 3.08Å; I37-T39 VanDerWaalsContact C-N 3.33Å; I37-T39 PolarHBondContact O-N 3.39Å; I37-I40 PolarHBondContact O-N 3Å; I37-E41 PolarHBondContact O-N 3.29Å
38F87.7Confident88.3Confident7 Ų763.3 Ų63.33%0.03135%0.345CS..Hα-helixtrans-70.6-29.9179.8-64.3-34.7000113.3N5 F34 V35 I36 E41 S42 V71 R103N5-F38 VanDerWaalsContact ND2-CE2 3.25Å; N5-F38 WeakPolarHBondContact ND2-CE2 3.44Å; F34-F38 HydrophobicContact CB-CE2 4.36Å; F34-F38 VanDerWaalsContact O-CD2 3.23Å; F34-F38 WeakPolarHBondContact O-CD2 3.47Å; F34-F38 VanDerWaalsContact O-CG 3.3Å; F34-F38 WeakPolarHBondContact O-CG 3.38Å; F34-F38 PolarHBondContact O-N 3.44Å; V35-F38 PolarHBondContact O-N 2.94Å; I36-F38 VanDerWaalsContact C-N 3.33Å; I36-F38 PolarHBondContact O-N 2.89Å; F38-E41 PolarHBondContact O-N 2.82Å; F38-S42 WeakPolarHBondContact O-CB 3.38Å; F38-S42 PolarHBondContact O-N 2.96Å; F38-S42 PolarHBondContact O-OG 3.28Å; F38-V71 HydrophobicContact CB-CG2 3.85Å; F38-R103 VanDerWaalsContact CG-NH1 3.3Å
39T89.3Confident88.5Confident45 Ų4565.1 Ų65.128%0.27635%0.353SS..Hα-helixtrans-66.1-42.7173.8-55.30000110.6V35 I36 I37 S42 A43 V71 N75V35-T39 WeakPolarHBondContact O-CB 3.13Å; V35-T39 PolarHBondContact O-N 3.2Å; V35-T39 PolarHBondContact O-OG1 2.85Å; I36-T39 PolarHBondContact O-N 3.2Å; I36-T39 VanDerWaalsContact O-N 3.15Å; I37-T39 VanDerWaalsContact C-N 3.33Å; I37-T39 PolarHBondContact O-N 3.39Å; T39-S42 PolarHBondContact O-N 3.21Å; T39-A43 VanDerWaalsContact O-CB 3.29Å; T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 3.44Å; T39-V71 HydrophobicContact CG2-CG1 4.31Å; T39-V71 WeakPolarHBondContact OG1-CG1 3.46Å; T39-N75 PolarHBondContact OG1-ND2 3.38Å
40I92.2Very high88.5Confident97 Ų9760.5 Ų60.550%0.49734%0.339SS..Hα-helixtrans-62.2-46.9174.5-65.1166.6000110.4I36 I37 S42 A43 L44I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 3.5Å; I37-I40 PolarHBondContact O-N 3Å; I40-S42 PolarHBondContact O-N 3.28Å; I40-A43 PolarHBondContact O-N 3.23Å; I40-L44 HydrophobicContact CG2-CD1 3.92Å; I40-L44 HydrophobicContact CG2-CG 4.34Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.14Å; I40-L44 PolarHBondContact O-N 2.8Å
41E89.4Confident88.4Confident69 Ų6961.7 Ų61.732%0.32234%0.342SS..Hα-helixtrans-57.1-50.8177.5-174.3-167.3160.900111.9I37 F38 A43 L44 K45I37-E41 PolarHBondContact O-N 3.29Å; F38-E41 PolarHBondContact O-N 2.82Å; E41-A43 PolarHBondContact O-N 3.01Å; E41-L44 PolarHBondContact O-N 3.19Å; E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.27Å; E41-K45 WeakPolarHBondContact OE1-CE 3.41Å; E41-K45 IonicContact OE1-NZ 2.66Å; E41-K45 PolarHBondContact OE1-NZ 3.14Å
42S87Confident88.5Confident5 Ų564.3 Ų64.34%0.03536%0.359CS..Hα-helixtrans-63.8-39.9178.9-71.90000112.2F38 T39 I40 K45 I46 V71F38-S42 WeakPolarHBondContact O-CB 3.38Å; F38-S42 PolarHBondContact O-N 2.96Å; F38-S42 PolarHBondContact O-OG 3.28Å; T39-S42 PolarHBondContact O-N 3.21Å; I40-S42 PolarHBondContact O-N 3.28Å; S42-K45 PolarHBondContact O-N 2.88Å; S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 WeakPolarHBondContact O-CG1 3.33Å; S42-I46 PolarHBondContact O-N 3.41Å; S42-V71 WeakPolarHBondContact OG-CG2 3.3Å
43A91.3Very high88.4Confident49 Ų4967.1 Ų67.141%0.40538%0.381SS..Hα-helixtrans-61.7-46.1175.700000111.6T39 I40 E41 K45 I46 V47T39-A43 VanDerWaalsContact O-CB 3.29Å; T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 3.44Å; I40-A43 PolarHBondContact O-N 3.23Å; E41-A43 PolarHBondContact O-N 3.01Å; A43-K45 PolarHBondContact O-N 3.41Å; A43-I46 PolarHBondContact O-N 2.73Å; A43-V47 VanDerWaalsContact O-CG2 3.31Å; A43-V47 WeakPolarHBondContact O-CG2 3.26Å; A43-V47 PolarHBondContact O-N 3.07Å
44L92.6Very high88.1Confident115 Ų11570.5 Ų70.560%0.60239%0.389SS*.Hα-helixtrans-60.9-42.5176.9-70.9172.8000111.9I40 E41 V47 A48I40-L44 HydrophobicContact CG2-CD1 3.92Å; I40-L44 HydrophobicContact CG2-CG 4.34Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.29Å; I40-L44 WeakPolarHBondContact O-CG 3.14Å; I40-L44 PolarHBondContact O-N 2.8Å; E41-L44 PolarHBondContact O-N 3.19Å; L44-V47 PolarHBondContact O-N 3.36Å; L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.83Å
45K89.3Confident87.7Confident51 Ų5174.3 Ų74.322%0.22242%0.415CS..Hα-helixtrans-64.3-40.5176-71.6-178.5-172.7170.10112.4E41 S42 A43 A48 H49 Y58 D67E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.27Å; E41-K45 WeakPolarHBondContact OE1-CE 3.41Å; E41-K45 IonicContact OE1-NZ 2.66Å; E41-K45 PolarHBondContact OE1-NZ 3.14Å; S42-K45 PolarHBondContact O-N 2.88Å; A43-K45 PolarHBondContact O-N 3.41Å; K45-A48 PolarHBondContact O-N 2.91Å; K45-H49 WeakPolarHBondContact O-CB 3.07Å; K45-H49 PolarHBondContact O-CD2 3.29Å; K45-H49 VanDerWaalsContact O-CD2 3.26Å; K45-H49 PolarHBondContact O-N 2.68Å; K45-Y58 HydrophobicContact CB-CD2 3.62Å; K45-Y58 HydrophobicContact CB-CE2 3.55Å; K45-Y58 HydrophobicContact CD-CD2 4.36Å; K45-Y58 HydrophobicContact CD-CE2 3.67Å; K45-Y58 HydrophobicContact CG-CE2 4.26Å; K45-D67 IonicContact NZ-OD2 2.64Å
46I90.2Very high87.6Confident41 Ų4176 Ų7621%0.2144%0.435CS..Hα-helixtrans-64.3-42.8177.4-70.1164.5000110.7S42 A43 G50 F51 Y58 F68S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 WeakPolarHBondContact O-CG1 3.33Å; S42-I46 PolarHBondContact O-N 3.41Å; A43-I46 PolarHBondContact O-N 2.73Å; I46-G50 CarbonylContact O-C 3.6Å; I46-G50 WeakPolarHBondContact O-CA 3.29Å; I46-G50 PolarHBondContact O-N 3.2Å; I46-F51 HydrophobicContact CD1-CD2 4.35Å; I46-F51 HydrophobicContact CD1-CE2 4.33Å; I46-F51 HydrophobicContact CG1-CD2 4.29Å; I46-F51 HydrophobicContact CG2-CB 4.29Å; I46-F51 HydrophobicContact CG2-CD2 3.85Å; I46-F51 HydrophobicContact CG2-CG 4.48Å; I46-Y58 HydrophobicContact CD1-CD1 4.3Å; I46-Y58 HydrophobicContact CD1-CE1 4.29Å; I46-Y58 HydrophobicContact CG1-CD1 3.58Å; I46-Y58 HydrophobicContact CG1-CE1 3.93Å; I46-Y58 HydrophobicContact CG1-CG 3.93Å; I46-F68 HydrophobicContact CD1-CD2 4.13Å; I46-F68 HydrophobicContact CD1-CE2 3.98Å
47V90.8Very high87.5Confident125 Ų12571.2 Ų71.276%0.75841%0.411SS*.Hα-helixtrans-63.8-41176.5172.60000111.1A43 L44A43-V47 VanDerWaalsContact O-CG2 3.31Å; A43-V47 WeakPolarHBondContact O-CG2 3.26Å; A43-V47 PolarHBondContact O-N 3.07Å; L44-V47 PolarHBondContact O-N 3.36Å
48A90Very high87.5Confident80 Ų8068 Ų6866%0.66139%0.394SS*.Hα-helixtrans-73-43.2-177.900000114L44 K45L44-A48 WeakPolarHBondContact O-CB 3.34Å; L44-A48 PolarHBondContact O-N 2.83Å; K45-A48 PolarHBondContact O-N 2.91Å
49H87.7Confident87.4Confident93 Ų9369.8 Ų69.843%0.43140%0.404SS..Hα-helixtrans-94.5-17.4-173.6-65.7-59.2000114.1K45 A57K45-H49 WeakPolarHBondContact O-CB 3.07Å; K45-H49 PolarHBondContact O-CD2 3.29Å; K45-H49 VanDerWaalsContact O-CD2 3.26Å; K45-H49 PolarHBondContact O-N 2.68Å; H49-A57 WeakPolarHBondContact O-CA 3.33Å
50G86.4Confident87.2Confident30 Ų3076.1 Ų76.131%0.30942%0.423SS..  trans78.6156.7-164.300000112.1I46 A57 Y58I46-G50 CarbonylContact O-C 3.6Å; I46-G50 WeakPolarHBondContact O-CA 3.29Å; I46-G50 PolarHBondContact O-N 3.2Å; G50-A57 WeakPolarHBondContact O-CA 3.29Å; G50-Y58 WeakPolarHBondContact O-CB 3.44Å; G50-Y58 PolarHBondContact O-N 2.98Å
51F85Confident86.8Confident101 Ų10175 Ų7544%0.44342%0.418SS..SBendtrans-78.4-59.2-168.9-167.9-125.4000113.7I46 L59 F68I46-F51 HydrophobicContact CD1-CD2 4.35Å; I46-F51 HydrophobicContact CD1-CE2 4.33Å; I46-F51 HydrophobicContact CG1-CD2 4.29Å; I46-F51 HydrophobicContact CG2-CB 4.29Å; I46-F51 HydrophobicContact CG2-CD2 3.85Å; I46-F51 HydrophobicContact CG2-CG 4.48Å; F51-L59 HydrophobicContact CD1-CD1 4.46Å; F51-L59 HydrophobicContact CD2-CD1 4.04Å; F51-L59 HydrophobicContact CD2-CG 4.37Å; F51-L59 HydrophobicContact CE1-CD1 4.03Å; F51-L59 HydrophobicContact CE2-CD1 3.58Å; F51-L59 HydrophobicContact CE2-CG 4.16Å; F51-L59 HydrophobicContact CG-CD1 4.45Å; F51-L59 HydrophobicContact CZ-CD1 3.57Å; F51-L59 PolarHBondContact O-N 3.38Å; F51-F68 HydrophobicContact CE2-CE2 4.35Å; F51-F68 HydrophobicContact CE2-CZ 4.28Å; F51-F68 HydrophobicContact CZ-CZ 4.4Å
52V85.9Confident86.5Confident80 Ų8074.3 Ų74.349%0.48543%0.429SS..SBendtrans-135.5-36.8-174.5176.20000114.1H54 L59V52-H54 PolarHBondContact O-N 3.43Å; V52-L59 HydrophobicContact CG2-CD1 3.8Å
53L82.5Confident86.2Confident179 Ų17976.7 Ų76.794%0.93744%0.437SS*.SBendtrans-74.3-22.1-164.3-68.9164.1000114.6
54H81.5Confident85.9Confident117 Ų11775.4 Ų75.454%0.54242%0.423SS..SBendtrans-87.3144.9-176.8-154.8-100.9000111.6V52 G56 A57V52-H54 PolarHBondContact O-N 3.43Å; H54-G56 PolarHBondContact ND1-N 2.8Å; H54-G56 PolarHBondContact O-N 2.92Å; H54-A57 HydrophobicContact CB-CB 4.11Å; H54-A57 WeakPolarHBondContact O-CB 3.24Å; H54-A57 PolarHBondContact O-N 2.85Å
55P81.1Confident85.6Confident94 Ų9472.7 Ų72.761%0.6141%0.412SS*.THydrogen-bonded Turntrans-60.4-26.8175.821.5-33000113.4R60P55-R60 WeakPolarHBondContact O-CD 3.38Å
56G82.9Confident85.2Confident46 Ų4672.4 Ų72.447%0.47441%0.412SS..THydrogen-bonded Turntrans-99.221.6170.700000114.3H54H54-G56 PolarHBondContact ND1-N 2.8Å; H54-G56 PolarHBondContact O-N 2.92Å
57A84.9Confident84.7Confident3 Ų370.7 Ų70.73%0.02540%0.403CS..  trans-63.5151.8-179.400000112.2H49 G50 H54 L59 R60H49-A57 WeakPolarHBondContact O-CA 3.33Å; G50-A57 WeakPolarHBondContact O-CA 3.29Å; H54-A57 HydrophobicContact CB-CB 4.11Å; H54-A57 WeakPolarHBondContact O-CB 3.24Å; H54-A57 PolarHBondContact O-N 2.85Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.47Å; A57-R60 PolarHBondContact O-N 3.36Å; A57-R60 VanDerWaalsContact O-N 3.1Å
58Y89.1Confident84.5Confident1 Ų167.6 Ų67.60%0.00438%0.38CS..G310 helixtrans-52-49.7-176.2178.3-105.6000112.3K45 I46 G50 R60 N61 N64 F68K45-Y58 HydrophobicContact CB-CD2 3.62Å; K45-Y58 HydrophobicContact CB-CE2 3.55Å; K45-Y58 HydrophobicContact CD-CD2 4.36Å; K45-Y58 HydrophobicContact CD-CE2 3.67Å; K45-Y58 HydrophobicContact CG-CE2 4.26Å; I46-Y58 HydrophobicContact CD1-CD1 4.3Å; I46-Y58 HydrophobicContact CD1-CE1 4.29Å; I46-Y58 HydrophobicContact CG1-CD1 3.58Å; I46-Y58 HydrophobicContact CG1-CE1 3.93Å; I46-Y58 HydrophobicContact CG1-CG 3.93Å; G50-Y58 WeakPolarHBondContact O-CB 3.44Å; G50-Y58 PolarHBondContact O-N 2.98Å; Y58-R60 VanDerWaalsContact C-N 3.3Å; Y58-R60 PolarHBondContact O-N 2.96Å; Y58-N61 PolarHBondContact O-N 2.87Å; Y58-N64 HydrophobicContact CD1-CB 4.31Å; Y58-N64 HydrophobicContact CD2-CB 3.74Å; Y58-N64 WeakPolarHBondContact CD2-ND2 3.35Å; Y58-N64 HydrophobicContact CE1-CB 4.11Å; Y58-N64 HydrophobicContact CE2-CB 3.5Å; Y58-N64 VanDerWaalsContact CE2-CB 3.5Å; Y58-N64 VanDerWaalsContact CE2-CG 3.42Å; Y58-N64 HydrophobicContact CG-CB 4.14Å; Y58-N64 WeakPolarHBondContact O-CB 3.33Å; Y58-N64 PolarHBondContact O-ND2 3.38Å; Y58-N64 VanDerWaalsContact O-ND2 3.07Å; Y58-N64 PolarHBondContact OH-O 3.35Å; Y58-N64 VanDerWaalsContact OH-O 3.13Å; Y58-F68 HydrophobicContact CE1-CB 3.99Å; Y58-F68 HydrophobicContact CE1-CD2 4.19Å; Y58-F68 HydrophobicContact CE1-CG 4.41Å
59L87.2Confident84.3Confident45 Ų4567 Ų6724%0.23637%0.368CS..G310 helixtrans-76.1-8-176.5-67.4179.9000115.1F51 V52 A57 N61 V65 F68F51-L59 HydrophobicContact CD1-CD1 4.46Å; F51-L59 HydrophobicContact CD2-CD1 4.04Å; F51-L59 HydrophobicContact CD2-CG 4.37Å; F51-L59 HydrophobicContact CE1-CD1 4.03Å; F51-L59 HydrophobicContact CE2-CD1 3.58Å; F51-L59 HydrophobicContact CE2-CG 4.16Å; F51-L59 HydrophobicContact CG-CD1 4.45Å; F51-L59 HydrophobicContact CZ-CD1 3.57Å; F51-L59 PolarHBondContact O-N 3.38Å; V52-L59 HydrophobicContact CG2-CD1 3.8Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.47Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-V65 HydrophobicContact CD2-CG2 4.23Å; L59-V65 WeakPolarHBondContact O-CG2 3.2Å; L59-F68 HydrophobicContact CD2-CB 4.25Å; L59-F68 HydrophobicContact CD2-CD1 4.22Å; L59-F68 HydrophobicContact CD2-CG 4.19Å
60R85.3Confident84Confident178 Ų17863.2 Ų63.267%0.67235%0.351SS*.G310 helixtrans-76-22.1174-89.7-165167.9-169.3-0.1113P55 A57 Y58P55-R60 WeakPolarHBondContact O-CD 3.38Å; A57-R60 PolarHBondContact O-N 3.36Å; A57-R60 VanDerWaalsContact O-N 3.1Å; Y58-R60 VanDerWaalsContact C-N 3.3Å; Y58-R60 PolarHBondContact O-N 2.96Å
61N83Confident84Confident74 Ų7462.4 Ų62.440%0.39634%0.34SS..SBendtrans-84.8118.6173.3-176.5-3.5000109.5Y58 L59 W63 N64 V65Y58-N61 PolarHBondContact O-N 2.87Å; L59-N61 VanDerWaalsContact C-N 3.32Å; N61-W63 PolarHBondContact O-N 3.48Å; N61-W63 VanDerWaalsContact O-N 3.12Å; N61-W63 PolarHBondContact OD1-N 3.17Å; N61-N64 HydrophobicContact CB-CB 4.17Å; N61-N64 WeakPolarHBondContact O-CB 3.46Å; N61-N64 PolarHBondContact O-N 3.49Å; N61-V65 PolarHBondContact O-N 3.46Å
62G82.4Confident84.2Confident54 Ų5460.4 Ų60.456%0.55734%0.336SS*.Hα-helixtrans-55.2-32.1-178.500000114V65 L66G62-V65 WeakPolarHBondContact O-CB 3.47Å; G62-V65 PolarHBondContact O-N 3.14Å; G62-L66 PolarHBondContact O-N 3.43Å
63W81.2Confident84.1Confident55 Ų5558 Ų5821%0.20832%0.321CS..Hα-helixtrans-69.7-37.3177-66109.9000113.3N61 V65 L66 D67 V105 L115N61-W63 PolarHBondContact O-N 3.48Å; N61-W63 VanDerWaalsContact O-N 3.12Å; N61-W63 PolarHBondContact OD1-N 3.17Å; W63-V65 VanDerWaalsContact C-N 3.27Å; W63-V65 PolarHBondContact O-N 2.66Å; W63-L66 PolarHBondContact O-N 3.19Å; W63-D67 PolarHBondContact O-N 2.85Å; W63-V105 HydrophobicContact CH2-CB 3.93Å; W63-V105 HydrophobicContact CH2-CG1 3.47Å; W63-V105 VanDerWaalsContact CH2-CG1 3.47Å; W63-V105 HydrophobicContact CZ2-CG1 3.88Å; W63-V105 HydrophobicContact CZ3-CB 4.13Å; W63-V105 HydrophobicContact CZ3-CG1 4.17Å; W63-L115 HydrophobicContact CH2-CD2 3.51Å; W63-L115 HydrophobicContact CZ2-CD2 3.88Å
64N84.1Confident84.1Confident21 Ų2149.6 Ų49.611%0.11228%0.278CS..Hα-helixtrans-69.5-28.8176.4-73.4-13.7000111.7Y58 N61 D67 F68Y58-N64 HydrophobicContact CD1-CB 4.31Å; Y58-N64 HydrophobicContact CD2-CB 3.74Å; Y58-N64 WeakPolarHBondContact CD2-ND2 3.35Å; Y58-N64 HydrophobicContact CE1-CB 4.11Å; Y58-N64 HydrophobicContact CE2-CB 3.5Å; Y58-N64 VanDerWaalsContact CE2-CB 3.5Å; Y58-N64 VanDerWaalsContact CE2-CG 3.42Å; Y58-N64 HydrophobicContact CG-CB 4.14Å; Y58-N64 WeakPolarHBondContact O-CB 3.33Å; Y58-N64 PolarHBondContact O-ND2 3.38Å; Y58-N64 VanDerWaalsContact O-ND2 3.07Å; Y58-N64 PolarHBondContact OH-O 3.35Å; Y58-N64 VanDerWaalsContact OH-O 3.13Å; N61-N64 HydrophobicContact CB-CB 4.17Å; N61-N64 WeakPolarHBondContact O-CB 3.46Å; N61-N64 PolarHBondContact O-N 3.49Å; N64-D67 PolarHBondContact O-N 3.28Å; N64-F68 WeakPolarHBondContact O-CB 3.32Å; N64-F68 PolarHBondContact O-N 2.89Å
65V86.3Confident84.3Confident58 Ų5847 Ų4735%0.35227%0.268SS..Hα-helixtrans-64.3-46.8172.2178.20000110.2L59 N61 G62 W63 D67 F68 V69L59-V65 HydrophobicContact CD2-CG2 4.23Å; L59-V65 WeakPolarHBondContact O-CG2 3.2Å; N61-V65 PolarHBondContact O-N 3.46Å; G62-V65 WeakPolarHBondContact O-CB 3.47Å; G62-V65 PolarHBondContact O-N 3.14Å; W63-V65 VanDerWaalsContact C-N 3.27Å; W63-V65 PolarHBondContact O-N 2.66Å; V65-D67 VanDerWaalsContact C-N 3.32Å; V65-D67 PolarHBondContact O-N 3.45Å; V65-F68 WeakPolarHBondContact O-CB 3.48Å; V65-F68 PolarHBondContact O-N 2.91Å; V65-V69 WeakPolarHBondContact O-CG2 3.33Å; V65-V69 PolarHBondContact O-N 3.11Å
66L81.2Confident84.5Confident45 Ų4544.8 Ų44.824%0.23625%0.254CS..Hα-helixtrans-59.9-43.6174.8179.7144.7000111.3G62 W63 F68 V69 I70 L102 R103G62-L66 PolarHBondContact O-N 3.43Å; W63-L66 PolarHBondContact O-N 3.19Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 2.8Å; L66-V69 PolarHBondContact O-N 2.88Å; L66-I70 HydrophobicContact CD2-CD1 3.5Å; L66-I70 VanDerWaalsContact CD2-CD1 3.5Å; L66-I70 HydrophobicContact CG-CD1 4.14Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.39Å; L66-L102 HydrophobicContact CD1-CB 4.41Å; L66-L102 HydrophobicContact CD1-CD1 4.19Å; L66-L102 HydrophobicContact CD2-CB 4.47Å; L66-R103 HydrophobicContact CD2-CG 4.3Å
67D80.8Confident84.4Confident5 Ų542.7 Ų42.73%0.02723%0.232CC..Hα-helixtrans-58.9-46.3175.5-78.2-7.2000111.8K45 W63 N64 V65 I70 V71 R103K45-D67 IonicContact NZ-OD2 2.64Å; W63-D67 PolarHBondContact O-N 2.85Å; N64-D67 PolarHBondContact O-N 3.28Å; V65-D67 VanDerWaalsContact C-N 3.32Å; V65-D67 PolarHBondContact O-N 3.45Å; D67-I70 PolarHBondContact O-N 2.9Å; D67-V71 WeakPolarHBondContact O-CG2 3.47Å; D67-V71 PolarHBondContact O-N 3.38Å; D67-V71 VanDerWaalsContact O-N 3.1Å; D67-R103 PolarHBondContact O-NH2 3Å; D67-R103 WeakPolarHBondContact OD1-CD 3.46Å; D67-R103 WeakPolarHBondContact OD1-CG 3.41Å; D67-R103 IonicContact OD1-CZ 3.9Å; D67-R103 IonicContact OD1-NE 2.88Å; D67-R103 PolarHBondContact OD1-NE 3.32Å; D67-R103 IonicContact OD1-NH2 2.72Å
68F86.9Confident84.1Confident61 Ų6143.9 Ų43.927%0.26824%0.239SC..Hα-helixtrans-60.4-47.4178.7-171.7-110.4000112I46 F51 Y58 L59 N64 V65 L66 I70 V71 V72I46-F68 HydrophobicContact CD1-CD2 4.13Å; I46-F68 HydrophobicContact CD1-CE2 3.98Å; F51-F68 HydrophobicContact CE2-CE2 4.35Å; F51-F68 HydrophobicContact CE2-CZ 4.28Å; F51-F68 HydrophobicContact CZ-CZ 4.4Å; Y58-F68 HydrophobicContact CE1-CB 3.99Å; Y58-F68 HydrophobicContact CE1-CD2 4.19Å; Y58-F68 HydrophobicContact CE1-CG 4.41Å; L59-F68 HydrophobicContact CD2-CB 4.25Å; L59-F68 HydrophobicContact CD2-CD1 4.22Å; L59-F68 HydrophobicContact CD2-CG 4.19Å; N64-F68 WeakPolarHBondContact O-CB 3.32Å; N64-F68 PolarHBondContact O-N 2.89Å; V65-F68 WeakPolarHBondContact O-CB 3.48Å; V65-F68 PolarHBondContact O-N 2.91Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 2.8Å; F68-I70 VanDerWaalsContact C-N 3.34Å; F68-I70 PolarHBondContact O-N 3.25Å; F68-V71 PolarHBondContact O-N 3.35Å; F68-V72 HydrophobicContact CD1-CG2 4.1Å; F68-V72 HydrophobicContact CD2-CG2 4.39Å; F68-V72 HydrophobicContact CE1-CG2 3.78Å; F68-V72 HydrophobicContact CE2-CG2 4.08Å; F68-V72 HydrophobicContact CG-CG2 4.4Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.33Å
69V85.3Confident83.9Confident68 Ų6848.2 Ų48.241%0.41226%0.262SS..Hα-helixtrans-59.4-45.1179171.30000110.9V65 L66 V71 V72 V73V65-V69 WeakPolarHBondContact O-CG2 3.33Å; V65-V69 PolarHBondContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 2.88Å; V69-V71 VanDerWaalsContact C-N 3.33Å; V69-V71 PolarHBondContact O-N 3.35Å; V69-V72 PolarHBondContact O-N 3.27Å; V69-V73 HydrophobicContact CG1-CG2 4.2Å; V69-V73 WeakPolarHBondContact O-CB 3.12Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.45Å; V69-V73 PolarHBondContact O-N 2.76Å
70I81.8Confident83.7Confident13 Ų1349 Ų497%0.06726%0.263CS..Hα-helixtrans-62.1-40.8178.7-68.5170.8000111.6L66 D67 F68 G74 L99 R100 R103L66-I70 HydrophobicContact CD2-CD1 3.5Å; L66-I70 VanDerWaalsContact CD2-CD1 3.5Å; L66-I70 HydrophobicContact CG-CD1 4.14Å; L66-I70 WeakPolarHBondContact O-CG1 3.38Å; L66-I70 PolarHBondContact O-N 3.39Å; D67-I70 PolarHBondContact O-N 2.9Å; F68-I70 VanDerWaalsContact C-N 3.34Å; F68-I70 PolarHBondContact O-N 3.25Å; I70-G74 PolarHBondContact O-N 2.81Å; I70-L99 HydrophobicContact CD1-CB 4.08Å; I70-L99 HydrophobicContact CG1-CB 4.34Å; I70-R100 HydrophobicContact CG2-CG 3.68Å; I70-R103 HydrophobicContact CD1-CG 4.41Å
71V86.6Confident83.2Confident13 Ų1341.7 Ų41.78%0.07924%0.242CC..Hα-helixtrans-67.4-45.1177.2173.80000111F38 T39 S42 D67 F68 V69 G74 N75F38-V71 HydrophobicContact CB-CG2 3.85Å; T39-V71 HydrophobicContact CG2-CG1 4.31Å; T39-V71 WeakPolarHBondContact OG1-CG1 3.46Å; S42-V71 WeakPolarHBondContact OG-CG2 3.3Å; D67-V71 WeakPolarHBondContact O-CG2 3.47Å; D67-V71 PolarHBondContact O-N 3.38Å; D67-V71 VanDerWaalsContact O-N 3.1Å; F68-V71 PolarHBondContact O-N 3.35Å; V69-V71 VanDerWaalsContact C-N 3.33Å; V69-V71 PolarHBondContact O-N 3.35Å; V71-G74 PolarHBondContact O-N 2.81Å; V71-N75 WeakPolarHBondContact CG1-ND2 3.44Å; V71-N75 PolarHBondContact O-N 2.85Å; V71-N75 PolarHBondContact O-ND2 3.38Å
72V88.1Confident83.1Confident59 Ų5946.4 Ų46.436%0.35826%0.259SS..Hα-helixtrans-62.9-50.7179.8171.80000110.7F68 V69 G74 N75 C76F68-V72 HydrophobicContact CD1-CG2 4.1Å; F68-V72 HydrophobicContact CD2-CG2 4.39Å; F68-V72 HydrophobicContact CE1-CG2 3.78Å; F68-V72 HydrophobicContact CE2-CG2 4.08Å; F68-V72 HydrophobicContact CG-CG2 4.4Å; F68-V72 HydrophobicContact CZ-CG2 3.76Å; F68-V72 VanDerWaalsContact O-CG2 3.3Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.33Å; V69-V72 PolarHBondContact O-N 3.27Å; V72-G74 VanDerWaalsContact C-N 3.26Å; V72-G74 PolarHBondContact O-N 2.81Å; V72-N75 PolarHBondContact O-N 2.75Å; V72-N75 VanDerWaalsContact O-N 3.17Å; V72-C76 WeakPolarHBondContact O-CB 3.23Å; V72-C76 PolarHBondContact O-N 2.96Å; V72-C76 PolarHBondContact O-SG 3.27Å
73V84.3Confident83.1Confident29 Ų2948.3 Ų48.318%0.17626%0.256CS..Hα-helixtrans-61.5-37.8177.5175.70000111.1V69 C76 S77 F96V69-V73 HydrophobicContact CG1-CG2 4.2Å; V69-V73 WeakPolarHBondContact O-CB 3.12Å; V69-V73 VanDerWaalsContact O-CG2 3.31Å; V69-V73 WeakPolarHBondContact O-CG2 3.45Å; V69-V73 PolarHBondContact O-N 2.76Å; V73-C76 PolarHBondContact O-N 2.82Å; V73-S77 VanDerWaalsContact O-CB 3.27Å; V73-S77 WeakPolarHBondContact O-CB 3.46Å; V73-S77 PolarHBondContact O-N 3.38Å; V73-F96 HydrophobicContact CG1-CB 3.72Å; V73-F96 HydrophobicContact CG1-CD2 4.26Å; V73-F96 HydrophobicContact CG1-CG 4.02Å
74G82.6Confident82.6Confident3 Ų352.3 Ų52.33%0.03128%0.281CS..Hα-helixtrans-58.5-49.3173.400000112.8I70 V71 V72 S77 T78I70-G74 PolarHBondContact O-N 2.81Å; V71-G74 PolarHBondContact O-N 2.81Å; V72-G74 VanDerWaalsContact C-N 3.26Å; V72-G74 PolarHBondContact O-N 2.81Å; G74-S77 PolarHBondContact O-N 2.8Å; G74-T78 PolarHBondContact O-N 3.42Å; G74-T78 VanDerWaalsContact O-N 3.08Å; G74-T78 PolarHBondContact O-OG1 2.87Å
75N85.9Confident82Confident63 Ų6354.8 Ų54.834%0.33729%0.294SS..Hα-helixtrans-67.9-38.7178.1-78.7-80.6000112.4T39 V71 V72 T78 L79T39-N75 PolarHBondContact OG1-ND2 3.38Å; V71-N75 WeakPolarHBondContact CG1-ND2 3.44Å; V71-N75 PolarHBondContact O-N 2.85Å; V71-N75 PolarHBondContact O-ND2 3.38Å; V72-N75 PolarHBondContact O-N 2.75Å; V72-N75 VanDerWaalsContact O-N 3.17Å; N75-T78 WeakPolarHBondContact CA-OG1 3.49Å; N75-T78 PolarHBondContact O-N 2.94Å; N75-T78 PolarHBondContact O-OG1 3.46Å; N75-L79 VanDerWaalsContact O-CB 3.31Å; N75-L79 WeakPolarHBondContact O-CB 3.27Å; N75-L79 PolarHBondContact O-N 3.46Å
76C84.7Confident80.5Confident47 Ų4756.9 Ų56.932%0.31831%0.309SS..Hα-helixtrans-63.9-42.2174-69.30000111.4V72 V73 T78 L79 F80V72-C76 WeakPolarHBondContact O-CB 3.23Å; V72-C76 PolarHBondContact O-N 2.96Å; V72-C76 PolarHBondContact O-SG 3.27Å; V73-C76 PolarHBondContact O-N 2.82Å; C76-T78 PolarHBondContact O-N 3.48Å; C76-L79 PolarHBondContact O-N 2.86Å; C76-F80 HydrophobicContact CB-CD2 4.47Å; C76-F80 HydrophobicContact CB-CE2 4.16Å; C76-F80 WeakPolarHBondContact O-CB 3.32Å; C76-F80 WeakPolarHBondContact O-CD2 3.26Å; C76-F80 VanDerWaalsContact O-CG 3.3Å; C76-F80 WeakPolarHBondContact O-CG 3.19Å; C76-F80 PolarHBondContact O-N 3.46Å
77S80.5Confident79.6Confident1 Ų162.7 Ų62.71%0.00734%0.34CS..Hα-helixtrans-61.3-43.6176.2174.60000111.6V73 G74 A81 R97V73-S77 VanDerWaalsContact O-CB 3.27Å; V73-S77 WeakPolarHBondContact O-CB 3.46Å; V73-S77 PolarHBondContact O-N 3.38Å; G74-S77 PolarHBondContact O-N 2.8Å; S77-A81 VanDerWaalsContact O-CB 3.27Å; S77-A81 WeakPolarHBondContact O-CB 3.21Å; S77-A81 PolarHBondContact O-N 3.05Å; S77-R97 PolarHBondContact OG-NH2 2.9Å
78T79.9Confident78.7Confident28 Ų2865.1 Ų65.117%0.17236%0.355CS..Hα-helixtrans-67.1-37.5176500000112.2Y32 G74 N75 C76 F82Y32-T78 HydrophobicContact CD1-CG2 3.81Å; Y32-T78 HydrophobicContact CE1-CG2 3.57Å; G74-T78 PolarHBondContact O-N 3.42Å; G74-T78 VanDerWaalsContact O-N 3.08Å; G74-T78 PolarHBondContact O-OG1 2.87Å; N75-T78 WeakPolarHBondContact CA-OG1 3.49Å; N75-T78 PolarHBondContact O-N 2.94Å; N75-T78 PolarHBondContact O-OG1 3.46Å; C76-T78 PolarHBondContact O-N 3.48Å; T78-F82 WeakPolarHBondContact O-CB 3Å; T78-F82 PolarHBondContact O-N 2.88Å
79L83.6Confident77.6Confident93 Ų9368.4 Ų68.449%0.48738%0.375SS..Hα-helixtrans-67.1-45177.3-178.463.9000111.6N75 C76 F82 L83N75-L79 VanDerWaalsContact O-CB 3.31Å; N75-L79 WeakPolarHBondContact O-CB 3.27Å; N75-L79 PolarHBondContact O-N 3.46Å; C76-L79 PolarHBondContact O-N 2.86Å; L79-F82 WeakPolarHBondContact O-CB 3.32Å; L79-F82 PolarHBondContact O-N 3.26Å; L79-L83 HydrophobicContact CD1-CD1 4Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 3.89Å; L79-L83 HydrophobicContact CG-CG 4.46Å; L79-L83 WeakPolarHBondContact O-CB 3.27Å; L79-L83 VanDerWaalsContact O-CG 3.31Å; L79-L83 WeakPolarHBondContact O-CG 3.21Å; L79-L83 PolarHBondContact O-N 3.27Å
80F82.4Confident76.8Confident60 Ų6066.6 Ų66.626%0.26336%0.364SS..Hα-helixtrans-68.7-36.1177.4-65.3-38.4000112.8C76 F82 L83 N84 I85 V88 V90 L93C76-F80 HydrophobicContact CB-CD2 4.47Å; C76-F80 HydrophobicContact CB-CE2 4.16Å; C76-F80 WeakPolarHBondContact O-CB 3.32Å; C76-F80 WeakPolarHBondContact O-CD2 3.26Å; C76-F80 VanDerWaalsContact O-CG 3.3Å; C76-F80 WeakPolarHBondContact O-CG 3.19Å; C76-F80 PolarHBondContact O-N 3.46Å; F80-F82 PolarHBondContact O-N 3.46Å; F80-L83 PolarHBondContact O-N 3.04Å; F80-N84 PolarHBondContact O-N 3.3Å; F80-I85 HydrophobicContact CD1-CD1 3.87Å; F80-I85 HydrophobicContact CE1-CD1 4.2Å; F80-V88 HydrophobicContact CD2-CG1 4.35Å; F80-V90 HydrophobicContact CB-CG2 4.44Å; F80-L93 HydrophobicContact CD2-CD1 3.57Å; F80-L93 HydrophobicContact CE2-CD1 3.98Å
81A76.1Confident76.1Confident26 Ų2670.3 Ų70.322%0.21538%0.38CS..Hα-helixtrans-62.1-35.3171.600000111.7S77 V90S77-A81 VanDerWaalsContact O-CB 3.27Å; S77-A81 WeakPolarHBondContact O-CB 3.21Å; S77-A81 PolarHBondContact O-N 3.05Å; A81-V90 HydrophobicContact CB-CG1 4.22Å
82F80.6Confident75.4Confident173 Ų17372.5 Ų72.576%0.75940%0.399SS*.Hα-helixtrans-73.9-38.4175.7-175.2-97.5000112.7T78 L79 F80T78-F82 WeakPolarHBondContact O-CB 3Å; T78-F82 PolarHBondContact O-N 2.88Å; L79-F82 WeakPolarHBondContact O-CB 3.32Å; L79-F82 PolarHBondContact O-N 3.26Å; F80-F82 PolarHBondContact O-N 3.46Å
83L81.7Confident74.6Confident94 Ų9471.7 Ų71.749%0.49239%0.393SS..Hα-helixtrans-80.6-9-178-68.2174.6000114.4L79 F80 I85L79-L83 HydrophobicContact CD1-CD1 4Å; L79-L83 HydrophobicContact CD1-CG 4.25Å; L79-L83 HydrophobicContact CG-CD1 3.89Å; L79-L83 HydrophobicContact CG-CG 4.46Å; L79-L83 WeakPolarHBondContact O-CB 3.27Å; L79-L83 VanDerWaalsContact O-CG 3.31Å; L79-L83 WeakPolarHBondContact O-CG 3.21Å; L79-L83 PolarHBondContact O-N 3.27Å; F80-L83 PolarHBondContact O-N 3.04Å; L83-I85 HydrophobicContact CB-CD1 4.24Å; L83-I85 HydrophobicContact CB-CG1 3.91Å; L83-I85 HydrophobicContact CD1-CD1 4.38Å; L83-I85 PolarHBondContact O-N 2.9Å; L83-I85 VanDerWaalsContact O-N 3.14Å
84N72.4Confident74Confident138 Ų13873 Ų7374%0.73840%0.395SS*.THydrogen-bonded Turntrans46.443.6178.2-95-13000113.8F80 P86F80-N84 PolarHBondContact O-N 3.3Å; N84-P86 VanDerWaalsContact O-CD 3.25Å; N84-P86 WeakPolarHBondContact O-CD 3.3Å
85I69.8Low73.8Confident73 Ų7373.8 Ų73.837%0.37440%0.401SS..  trans-70.9116.5-177.8-57.2176.6000109.3F80 L83 V88F80-I85 HydrophobicContact CD1-CD1 3.87Å; F80-I85 HydrophobicContact CE1-CD1 4.2Å; L83-I85 HydrophobicContact CB-CD1 4.24Å; L83-I85 HydrophobicContact CB-CG1 3.91Å; L83-I85 HydrophobicContact CD1-CD1 4.38Å; L83-I85 PolarHBondContact O-N 2.9Å; L83-I85 VanDerWaalsContact O-N 3.14Å; I85-V88 HydrophobicContact CG2-CG2 4.34Å
86P55.9Low73.3Confident103 Ų10375.7 Ų75.767%0.66941%0.406SS*.THydrogen-bonded Turntrans-66.5137.417328.4-31.5000108.8N84N84-P86 VanDerWaalsContact O-CD 3.25Å; N84-P86 WeakPolarHBondContact O-CD 3.3Å
87N61.7Low73Confident167 Ų16774.6 Ų74.689%0.89340%0.395SS*.THydrogen-bonded Turntrans94-3.4-177.6-47.7-29000117.4
88V62.2Low72.9Confident55 Ų5574.8 Ų74.833%0.33340%0.396SS..  trans-101.8114.8168.7-179.10000109F80 I85 V90 L93F80-V88 HydrophobicContact CD2-CG1 4.35Å; I85-V88 HydrophobicContact CG2-CG2 4.34Å; V88-V90 PolarHBondContact O-N 3.22Å; V88-L93 HydrophobicContact CG1-CD1 3.84Å
89D64.2Low73Confident130 Ų13076.5 Ų76.570%0.69540%0.404SS*.  trans-68.483.4172.1-81.7-27.5000110K91 A92 L93D89-K91 PolarHBondContact O-N 2.96Å; D89-K91 VanDerWaalsContact O-N 3.07Å; D89-A92 HydrophobicContact CB-CB 4.02Å; D89-A92 WeakPolarHBondContact O-CB 3.48Å; D89-A92 PolarHBondContact O-N 2.55Å; D89-L93 PolarHBondContact O-N 2.92Å
90V68.9Low72.8Confident30 Ų3072.3 Ų72.318%0.18238%0.382CS..Hα-helixtrans-53.6-32.7177.2-176.50000110.2F80 A81 V88 A92 L93 R94F80-V90 HydrophobicContact CB-CG2 4.44Å; A81-V90 HydrophobicContact CB-CG1 4.22Å; V88-V90 PolarHBondContact O-N 3.22Å; V90-A92 PolarHBondContact O-N 2.85Å; V90-L93 PolarHBondContact O-N 3.45Å; V90-R94 VanDerWaalsContact O-CG 3.31Å; V90-R94 WeakPolarHBondContact O-CG 3.31Å; V90-R94 PolarHBondContact O-N 2.82Å
91K66.7Low72.7Confident91 Ų9169.6 Ų69.640%0.39637%0.37SS..Hα-helixtrans-58.6-40.5173.9-69.6-173.5177.3-177.60112.9F18 D89 R94 A95F18-K91 HydrophobicContact CE1-CD 4.45Å; F18-K91 VanDerWaalsContact CE1-CE 3.41Å; D89-K91 PolarHBondContact O-N 2.96Å; D89-K91 VanDerWaalsContact O-N 3.07Å; K91-R94 WeakPolarHBondContact O-CB 3.5Å; K91-R94 PolarHBondContact O-N 3.43Å; K91-A95 PolarHBondContact O-N 3.22Å
92A70.3Confident72.9Confident59 Ų5970.6 Ų70.649%0.48837%0.372SS..Hα-helixtrans-66.4-39.3176.500000111.7D89 V90 R94 A95D89-A92 HydrophobicContact CB-CB 4.02Å; D89-A92 WeakPolarHBondContact O-CB 3.48Å; D89-A92 PolarHBondContact O-N 2.55Å; V90-A92 PolarHBondContact O-N 2.85Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 2.74Å; A92-A95 WeakPolarHBondContact O-CB 3.26Å; A92-A95 PolarHBondContact O-N 3.13Å
93L72.2Confident72.8Confident42 Ų4262.6 Ų62.622%0.2234%0.336CS..Hα-helixtrans-66.8-31.6174.4-68.9172.7000112.6F80 V88 D89 V90 A95 F96F80-L93 HydrophobicContact CD2-CD1 3.57Å; F80-L93 HydrophobicContact CE2-CD1 3.98Å; V88-L93 HydrophobicContact CG1-CD1 3.84Å; D89-L93 PolarHBondContact O-N 2.92Å; V90-L93 PolarHBondContact O-N 3.45Å; L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 2.92Å; L93-F96 PolarHBondContact O-N 3.39Å
94R72.7Confident72.7Confident58 Ų5860.8 Ų60.822%0.21933%0.327CS..Hα-helixtrans-65.7-30.5173.9-67.5-178.4-173.8-165.8-0.8112.1E28 V90 K91 A92 F96 R97E28-R94 IonicContact OE1-CZ 2.83Å; E28-R94 IonicContact OE1-NH1 3.17Å; E28-R94 PolarHBondContact OE1-NH1 2.95Å; E28-R94 IonicContact OE1-NH2 3.03Å; V90-R94 VanDerWaalsContact O-CG 3.31Å; V90-R94 WeakPolarHBondContact O-CG 3.31Å; V90-R94 PolarHBondContact O-N 2.82Å; K91-R94 WeakPolarHBondContact O-CB 3.5Å; K91-R94 PolarHBondContact O-N 3.43Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 2.74Å; R94-F96 PolarHBondContact O-N 3.16Å; R94-R97 WeakPolarHBondContact O-CB 3.26Å; R94-R97 WeakPolarHBondContact O-CD 3.45Å; R94-R97 WeakPolarHBondContact O-CG 3.33Å; R94-R97 PolarHBondContact O-N 3.44Å
95A76.8Confident73.1Confident19 Ų1954.3 Ų54.316%0.15729%0.292CS..Hα-helixtrans-59.9-29.7177.700000113.1K91 A92 L93 R97 V98 L510 Q513K91-A95 PolarHBondContact O-N 3.22Å; A92-A95 WeakPolarHBondContact O-CB 3.26Å; A92-A95 PolarHBondContact O-N 3.13Å; L93-A95 VanDerWaalsContact C-N 3.28Å; L93-A95 PolarHBondContact O-N 2.92Å; A95-R97 PolarHBondContact O-N 3.46Å; A95-R97 VanDerWaalsContact O-N 3.1Å; A95-V98 VanDerWaalsContact O-CB 3.26Å; A95-V98 WeakPolarHBondContact O-CB 3.39Å; A95-V98 VanDerWaalsContact O-CG2 3.32Å; A95-V98 WeakPolarHBondContact O-CG2 3.41Å; A95-V98 PolarHBondContact O-N 2.81Å; A95-L510 HydrophobicContact CB-CD1 4.39Å; A95-Q513 HydrophobicContact CB-CB 4.28Å
96F76.6Confident73.4Confident103 Ų10352.5 Ų52.545%0.45229%0.286SS..G310 helixtrans-61.8-19.2175-78.4-89.8000113.9V73 L93 R94 V98 L99V73-F96 HydrophobicContact CG1-CB 3.72Å; V73-F96 HydrophobicContact CG1-CD2 4.26Å; V73-F96 HydrophobicContact CG1-CG 4.02Å; L93-F96 PolarHBondContact O-N 3.39Å; R94-F96 PolarHBondContact O-N 3.16Å; F96-V98 PolarHBondContact O-N 3.08Å; F96-L99 HydrophobicContact CD1-CD1 4.02Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 PolarHBondContact O-N 2.87Å; F96-L99 VanDerWaalsContact O-N 3.08Å
97R77.5Confident74.4Confident24 Ų2450.5 Ų50.59%0.09128%0.284CS..G310 helixtrans-61.9-24175.1-61.3169.5-176.8-178.5-4.7111.9L9 E31 S77 R94 A95 L99 R100L9-R97 HydrophobicContact CD2-CB 4.47Å; E31-R97 IonicContact OE1-CZ 3.48Å; E31-R97 IonicContact OE1-NE 2.73Å; E31-R97 IonicContact OE1-NH1 3.27Å; E31-R97 PolarHBondContact OE1-NH1 2.8Å; E31-R97 IonicContact OE2-CZ 3.61Å; E31-R97 IonicContact OE2-NH1 2.62Å; E31-R97 PolarHBondContact OE2-NH1 3.48Å; S77-R97 PolarHBondContact OG-NH2 2.9Å; R94-R97 WeakPolarHBondContact O-CB 3.26Å; R94-R97 WeakPolarHBondContact O-CD 3.45Å; R94-R97 WeakPolarHBondContact O-CG 3.33Å; R94-R97 PolarHBondContact O-N 3.44Å; A95-R97 PolarHBondContact O-N 3.46Å; A95-R97 VanDerWaalsContact O-N 3.1Å; R97-L99 PolarHBondContact O-N 3.36Å; R97-R100 VanDerWaalsContact O-CB 3.29Å; R97-R100 WeakPolarHBondContact O-CB 3.47Å; R97-R100 WeakPolarHBondContact O-CD 3.46Å; R97-R100 WeakPolarHBondContact O-CG 3.43Å; R97-R100 PolarHBondContact O-N 3.29Å; R97-R100 VanDerWaalsContact O-N 3.11Å
98V79.7Confident75.2Confident4 Ų444.5 Ų44.52%0.02425%0.254CS..G310 helixtrans-65.6-14.8176.1178.50000112.7A95 F96 R100 P101 I506 L509 L510 Q513A95-V98 VanDerWaalsContact O-CB 3.26Å; A95-V98 WeakPolarHBondContact O-CB 3.39Å; A95-V98 VanDerWaalsContact O-CG2 3.32Å; A95-V98 WeakPolarHBondContact O-CG2 3.41Å; A95-V98 PolarHBondContact O-N 2.81Å; F96-V98 PolarHBondContact O-N 3.08Å; V98-R100 VanDerWaalsContact C-N 3.29Å; V98-R100 PolarHBondContact O-N 3.01Å; V98-P101 WeakPolarHBondContact O-CD 3.05Å; V98-I506 HydrophobicContact CG1-CG2 4.19Å; V98-I506 WeakPolarHBondContact CG1-O 3.31Å; V98-L509 HydrophobicContact CB-CB 4.49Å; V98-L509 HydrophobicContact CG1-CB 3.68Å; V98-L509 HydrophobicContact CG2-CB 4.09Å; V98-L510 HydrophobicContact CG1-CB 3.92Å; V98-Q513 HydrophobicContact CG2-CG 3.79Å
99L80.2Confident75.8Confident64 Ų6446.2 Ų46.234%0.33527%0.266SS..G310 helixtrans-77.8-11.5173.7-60.9177.8000113.3I70 F96 R97 L102I70-L99 HydrophobicContact CD1-CB 4.08Å; I70-L99 HydrophobicContact CG1-CB 4.34Å; F96-L99 HydrophobicContact CD1-CD1 4.02Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 PolarHBondContact O-N 2.87Å; F96-L99 VanDerWaalsContact O-N 3.08Å; R97-L99 PolarHBondContact O-N 3.36Å; L99-L102 HydrophobicContact CB-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD1 3.87Å; L99-L102 VanDerWaalsContact O-CB 3.26Å; L99-L102 WeakPolarHBondContact O-CB 3.36Å; L99-L102 PolarHBondContact O-N 3.22Å
100R79.4Confident76.2Confident6 Ų642.7 Ų42.72%0.02325%0.252CS..G310 helixtrans-56.6-37.9179.6-71.3169.9178.8177.71.5115.2N5 I70 R97 V98 L102 R103N5-R100 PolarHBondContact ND2-NH1 3.01Å; N5-R100 PolarHBondContact OD1-NH1 2.81Å; I70-R100 HydrophobicContact CG2-CG 3.68Å; R97-R100 VanDerWaalsContact O-CB 3.29Å; R97-R100 WeakPolarHBondContact O-CB 3.47Å; R97-R100 WeakPolarHBondContact O-CD 3.46Å; R97-R100 WeakPolarHBondContact O-CG 3.43Å; R97-R100 PolarHBondContact O-N 3.29Å; R97-R100 VanDerWaalsContact O-N 3.11Å; V98-R100 VanDerWaalsContact C-N 3.29Å; V98-R100 PolarHBondContact O-N 3.01Å; R100-L102 PolarHBondContact O-N 2.83Å; R100-R103 VanDerWaalsContact O-CB 3.28Å; R100-R103 WeakPolarHBondContact O-CB 3.26Å; R100-R103 WeakPolarHBondContact O-CG 3.46Å; R100-R103 PolarHBondContact O-N 2.71Å
101P81.3Confident76.6Confident3 Ų341.3 Ų41.32%0.01924%0.243CC..G310 helixtrans-58.7-25.4174.6-21.333.8000113.5V98 R103 L104 L502 I506 L509V98-P101 WeakPolarHBondContact O-CD 3.05Å; P101-R103 PolarHBondContact O-N 3.36Å; P101-R103 VanDerWaalsContact O-N 3.15Å; P101-L104 WeakPolarHBondContact O-CB 3.35Å; P101-L104 PolarHBondContact O-N 2.88Å; P101-L502 HydrophobicContact CB-CD1 3.85Å; P101-I506 HydrophobicContact CB-CG1 4.02Å; P101-I506 HydrophobicContact CG-CG1 4.32Å; P101-L509 HydrophobicContact CG-CD1 4.29Å
102L80.6Confident77.2Confident47 Ų4739.6 Ų39.625%0.24624%0.237CC..G310 helixtrans-61.4-22.6175.2-69.3167.9000112.7L66 L99 R100 L104 V105 I506L66-L102 HydrophobicContact CD1-CB 4.41Å; L66-L102 HydrophobicContact CD1-CD1 4.19Å; L66-L102 HydrophobicContact CD2-CB 4.47Å; L99-L102 HydrophobicContact CB-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD1 3.87Å; L99-L102 VanDerWaalsContact O-CB 3.26Å; L99-L102 WeakPolarHBondContact O-CB 3.36Å; L99-L102 PolarHBondContact O-N 3.22Å; R100-L102 PolarHBondContact O-N 2.83Å; L102-L104 PolarHBondContact O-N 3.2Å; L102-V105 VanDerWaalsContact O-CB 3.31Å; L102-V105 WeakPolarHBondContact O-CB 3.49Å; L102-V105 PolarHBondContact O-N 2.94Å; L102-I506 HydrophobicContact CD2-CD1 3.5Å; L102-I506 HydrophobicContact CG-CD1 3.74Å
103R78.7Confident77.4Confident4 Ų442.6 Ų42.62%0.01524%0.243CC..Hα-helixtrans-62.9-18.6171.6-60.9-167.6168.2175.2-0.9113.2I2 F38 L66 D67 I70 R100 P101 V105 S106 G107I2-R103 HydrophobicContact CD1-CB 3.8Å; I2-R103 HydrophobicContact CG1-CB 4.43Å; I2-R103 HydrophobicContact CG2-CB 4.5Å; F38-R103 VanDerWaalsContact CG-NH1 3.3Å; L66-R103 HydrophobicContact CD2-CG 4.3Å; D67-R103 PolarHBondContact O-NH2 3Å; D67-R103 WeakPolarHBondContact OD1-CD 3.46Å; D67-R103 WeakPolarHBondContact OD1-CG 3.41Å; D67-R103 IonicContact OD1-CZ 3.9Å; D67-R103 IonicContact OD1-NE 2.88Å; D67-R103 PolarHBondContact OD1-NE 3.32Å; D67-R103 IonicContact OD1-NH2 2.72Å; I70-R103 HydrophobicContact CD1-CG 4.41Å; R100-R103 VanDerWaalsContact O-CB 3.28Å; R100-R103 WeakPolarHBondContact O-CB 3.26Å; R100-R103 WeakPolarHBondContact O-CG 3.46Å; R100-R103 PolarHBondContact O-N 2.71Å; P101-R103 PolarHBondContact O-N 3.36Å; P101-R103 VanDerWaalsContact O-N 3.15Å; R103-V105 PolarHBondContact O-N 2.88Å; R103-S106 PolarHBondContact O-N 2.99Å; R103-S106 PolarHBondContact O-OG 3.36Å; R103-G107 PolarHBondContact O-N 2.66Å
104L80.1Confident77.4Confident56 Ų5641.5 Ų41.529%0.29324%0.238SC..Hα-helixtrans-64.9-33172.4-165.772.7000111.1P101 L102 S106 G107 V108 L502P101-L104 WeakPolarHBondContact O-CB 3.35Å; P101-L104 PolarHBondContact O-N 2.88Å; L102-L104 PolarHBondContact O-N 3.2Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-G107 PolarHBondContact O-N 3.5Å; L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; L104-V108 VanDerWaalsContact O-N 3.12Å; L104-L502 HydrophobicContact CD2-CD1 4.37Å
105V79.4Confident77.8Confident2 Ų240.7 Ų40.71%0.01224%0.238CC..Hα-helixtrans-66.4-37.6177.2-175.30000110.9W63 L102 R103 G107 V108 L111 Q112 L115 L502W63-V105 HydrophobicContact CH2-CB 3.93Å; W63-V105 HydrophobicContact CH2-CG1 3.47Å; W63-V105 VanDerWaalsContact CH2-CG1 3.47Å; W63-V105 HydrophobicContact CZ2-CG1 3.88Å; W63-V105 HydrophobicContact CZ3-CB 4.13Å; W63-V105 HydrophobicContact CZ3-CG1 4.17Å; L102-V105 VanDerWaalsContact O-CB 3.31Å; L102-V105 WeakPolarHBondContact O-CB 3.49Å; L102-V105 PolarHBondContact O-N 2.94Å; R103-V105 PolarHBondContact O-N 2.88Å; V105-G107 VanDerWaalsContact C-N 3.26Å; V105-G107 PolarHBondContact O-N 2.92Å; V105-V108 PolarHBondContact O-N 3.39Å; V105-L111 HydrophobicContact CG1-CB 4.08Å; V105-L111 HydrophobicContact CG2-CD1 4.47Å; V105-Q112 HydrophobicContact CG1-CG 4.38Å; V105-Q112 WeakPolarHBondContact O-CG 3.48Å; V105-Q112 PolarHBondContact O-NE2 2.88Å; V105-L115 HydrophobicContact CG1-CD2 4.06Å; V105-L502 HydrophobicContact CG2-CD2 3.5Å; V105-L502 VanDerWaalsContact CG2-CD2 3.5Å
106S76.5Confident78Confident36 Ų3643.6 Ų43.625%0.25225%0.251SS..Hα-helixtrans-68.6-27.1176.465.30000112.5R103 L104 Q112R103-S106 PolarHBondContact O-N 2.99Å; R103-S106 PolarHBondContact O-OG 3.36Å; L104-S106 VanDerWaalsContact C-N 3.34Å; S106-Q112 PolarHBondContact O-NE2 2.87Å
107G75.9Confident77.9Confident61 Ų6141.1 Ų41.163%0.62925%0.246SC*.Hα-helixtrans-81.3-26176.400000115.4R103 L104 V105R103-G107 PolarHBondContact O-N 2.66Å; L104-G107 PolarHBondContact O-N 3.5Å; V105-G107 VanDerWaalsContact C-N 3.26Å; V105-G107 PolarHBondContact O-N 2.92Å
108V78.9Confident78Confident41 Ų4140.4 Ų40.425%0.24824%0.244CC..  trans-108.8105.7-174-178.40000110.6L104 V105 S110 L111 Q112L104-V108 WeakPolarHBondContact O-CG2 3.35Å; L104-V108 PolarHBondContact O-N 3.49Å; L104-V108 VanDerWaalsContact O-N 3.12Å; V105-V108 PolarHBondContact O-N 3.39Å; V108-S110 VanDerWaalsContact C-N 3.29Å; V108-S110 WeakPolarHBondContact CG1-OG 3.33Å; V108-S110 PolarHBondContact O-N 2.89Å; V108-L111 HydrophobicContact CB-CB 4.21Å; V108-L111 HydrophobicContact CB-CD1 3.93Å; V108-L111 HydrophobicContact CB-CG 4.03Å; V108-L111 HydrophobicContact CG1-CB 4.25Å; V108-L111 HydrophobicContact CG1-CD1 4.17Å; V108-L111 HydrophobicContact CG1-CG 3.83Å; V108-L111 HydrophobicContact CG2-CD1 4.36Å; V108-L111 WeakPolarHBondContact O-CB 3.33Å; V108-L111 PolarHBondContact O-N 2.83Å; V108-L111 VanDerWaalsContact O-N 3.07Å; V108-Q112 PolarHBondContact O-N 2.96Å
109P75.6Confident78.2Confident90 Ų9044.5 Ų44.558%0.58427%0.265SS*.Hα-helixtrans-64.6-30.9-173.324.6-34000113.4L111 Q112 I113P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.41Å; P109-Q112 PolarHBondContact O-N 2.96Å; P109-I113 WeakPolarHBondContact O-CG1 3.3Å; P109-I113 PolarHBondContact O-N 3.2Å
110S72.3Confident78.2Confident57 Ų5747 Ų4740%0.39928%0.276SS..Hα-helixtrans-62.9-38.8174.550.30000112V108 Q112 I113 V114V108-S110 VanDerWaalsContact C-N 3.29Å; V108-S110 WeakPolarHBondContact CG1-OG 3.33Å; V108-S110 PolarHBondContact O-N 2.89Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 2.91Å; S110-I113 PolarHBondContact O-N 3.07Å; S110-V114 WeakPolarHBondContact O-CG2 3.47Å; S110-V114 PolarHBondContact O-N 3.43Å; S110-V114 VanDerWaalsContact O-N 3.15Å
111L77.5Confident78.2Confident0 Ų047.1 Ų47.10%028%0.277CS..Hα-helixtrans-66.9-34.6176.3-71.3-178.6000112.1V105 V108 P109 V114 L115 S495 L498 L499V105-L111 HydrophobicContact CG1-CB 4.08Å; V105-L111 HydrophobicContact CG2-CD1 4.47Å; V108-L111 HydrophobicContact CB-CB 4.21Å; V108-L111 HydrophobicContact CB-CD1 3.93Å; V108-L111 HydrophobicContact CB-CG 4.03Å; V108-L111 HydrophobicContact CG1-CB 4.25Å; V108-L111 HydrophobicContact CG1-CD1 4.17Å; V108-L111 HydrophobicContact CG1-CG 3.83Å; V108-L111 HydrophobicContact CG2-CD1 4.36Å; V108-L111 WeakPolarHBondContact O-CB 3.33Å; V108-L111 PolarHBondContact O-N 2.83Å; V108-L111 VanDerWaalsContact O-N 3.07Å; P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.41Å; L111-V114 PolarHBondContact O-N 2.8Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.42Å; L111-S495 WeakPolarHBondContact CD2-O 3.31Å; L111-L498 HydrophobicContact CD1-CD2 3.93Å; L111-L498 HydrophobicContact CD2-CB 4.49Å; L111-L498 HydrophobicContact CD2-CD2 4.07Å; L111-L498 HydrophobicContact CG-CD2 4.2Å; L111-L499 HydrophobicContact CD2-CB 4.04Å
112Q78.8Confident78.3Confident56 Ų5652.4 Ų52.426%0.26230%0.303SS..Hα-helixtrans-64.8-43.2176-62-178.1-1.200112V105 S106 V108 P109 S110 V114 L115 N116V105-Q112 HydrophobicContact CG1-CG 4.38Å; V105-Q112 WeakPolarHBondContact O-CG 3.48Å; V105-Q112 PolarHBondContact O-NE2 2.88Å; S106-Q112 PolarHBondContact O-NE2 2.87Å; V108-Q112 PolarHBondContact O-N 2.96Å; P109-Q112 PolarHBondContact O-N 2.96Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 2.91Å; Q112-V114 VanDerWaalsContact C-N 3.33Å; Q112-L115 PolarHBondContact O-N 3.18Å; Q112-N116 VanDerWaalsContact O-CB 3.3Å; Q112-N116 WeakPolarHBondContact O-CB 3.47Å; Q112-N116 PolarHBondContact O-N 2.85Å; Q112-N116 PolarHBondContact O-ND2 3.42Å; Q112-N116 VanDerWaalsContact O-ND2 3.15Å
113I74.3Confident78.5Confident122 Ų12255.2 Ų55.263%0.62632%0.322SS*.Hα-helixtrans-60.7-47.4177.8-65166.4000109.6P109 S110 N116 S117P109-I113 WeakPolarHBondContact O-CG1 3.3Å; P109-I113 PolarHBondContact O-N 3.2Å; S110-I113 PolarHBondContact O-N 3.07Å; I113-N116 PolarHBondContact O-N 2.75Å; I113-S117 PolarHBondContact O-N 3.48Å; I113-S117 PolarHBondContact O-OG 3.2Å
114V73.4Confident78.5Confident18 Ų1856.6 Ų56.611%0.10933%0.332CS..Hα-helixtrans-62.9-46.7179.1173.60000111.6S110 L111 Q112 N116 S117 I118 L496 L499S110-V114 WeakPolarHBondContact O-CG2 3.47Å; S110-V114 PolarHBondContact O-N 3.43Å; S110-V114 VanDerWaalsContact O-N 3.15Å; L111-V114 PolarHBondContact O-N 2.8Å; Q112-V114 VanDerWaalsContact C-N 3.33Å; V114-N116 VanDerWaalsContact C-N 3.34Å; V114-N116 PolarHBondContact O-N 2.83Å; V114-S117 WeakPolarHBondContact CA-OG 3.19Å; V114-S117 PolarHBondContact O-N 2.93Å; V114-S117 PolarHBondContact O-OG 2.84Å; V114-I118 HydrophobicContact CG1-CD1 3.97Å; V114-I118 WeakPolarHBondContact O-CG1 3.43Å; V114-I118 PolarHBondContact O-N 2.84Å; V114-L496 HydrophobicContact CG1-CD2 3.37Å; V114-L496 HydrophobicContact CG1-CG 4.24Å; V114-L499 HydrophobicContact CG1-CD2 3.79Å
115L79.6Confident78.7Confident42 Ų4254.8 Ų54.822%0.2232%0.322CS..Hα-helixtrans-62.9-41.5178.3-177.566.2000111.5W63 V105 L111 Q112 S117 I118 L119W63-L115 HydrophobicContact CH2-CD2 3.51Å; W63-L115 HydrophobicContact CZ2-CD2 3.88Å; V105-L115 HydrophobicContact CG1-CD2 4.06Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.42Å; Q112-L115 PolarHBondContact O-N 3.18Å; L115-S117 PolarHBondContact O-N 3.32Å; L115-I118 PolarHBondContact O-N 3.11Å; L115-L119 HydrophobicContact CG-CD1 4.14Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.5Å
116N80.9Confident79Confident80 Ų8061 Ų6143%0.42835%0.349SS..Hα-helixtrans-64-39.1176.8-73.8-28000111.9Q112 I113 V114 L119 Q120Q112-N116 VanDerWaalsContact O-CB 3.3Å; Q112-N116 WeakPolarHBondContact O-CB 3.47Å; Q112-N116 PolarHBondContact O-N 2.85Å; Q112-N116 PolarHBondContact O-ND2 3.42Å; Q112-N116 VanDerWaalsContact O-ND2 3.15Å; I113-N116 PolarHBondContact O-N 2.75Å; V114-N116 VanDerWaalsContact C-N 3.34Å; V114-N116 PolarHBondContact O-N 2.83Å; N116-L119 PolarHBondContact O-N 3.27Å; N116-Q120 WeakPolarHBondContact O-CG 3.11Å; N116-Q120 PolarHBondContact O-N 3.22Å
117S75.3Confident79.2Confident51 Ų5164.1 Ų64.136%0.35736%0.36SS..Hα-helixtrans-63.8-40.1173.752.80000112.3I113 V114 L115 Q120 A121I113-S117 PolarHBondContact O-N 3.48Å; I113-S117 PolarHBondContact O-OG 3.2Å; V114-S117 WeakPolarHBondContact CA-OG 3.19Å; V114-S117 PolarHBondContact O-N 2.93Å; V114-S117 PolarHBondContact O-OG 2.84Å; L115-S117 PolarHBondContact O-N 3.32Å; S117-Q120 PolarHBondContact O-N 3.12Å; S117-A121 PolarHBondContact O-N 3.4Å; S117-A121 VanDerWaalsContact O-N 3.1Å
118I80Confident79.7Confident9 Ų961.3 Ų61.35%0.04633%0.33CS..Hα-helixtrans-65.3-40.9176.3-70.6169.1000110.8V114 L115 A121 M122 L499 Y585 N589V114-I118 HydrophobicContact CG1-CD1 3.97Å; V114-I118 WeakPolarHBondContact O-CG1 3.43Å; V114-I118 PolarHBondContact O-N 2.84Å; L115-I118 PolarHBondContact O-N 3.11Å; I118-A121 PolarHBondContact O-N 2.96Å; I118-M122 PolarHBondContact O-N 2.95Å; I118-L499 HydrophobicContact CD1-CD2 3.44Å; I118-L499 VanDerWaalsContact CD1-CD2 3.44Å; I118-Y585 HydrophobicContact CG2-CD1 4.19Å; I118-Y585 HydrophobicContact CG2-CE1 3.41Å; I118-Y585 VanDerWaalsContact CG2-CE1 3.41Å; I118-Y585 PolarHBondContact O-OH 3.46Å; I118-N589 HydrophobicContact CD1-CB 4.49Å; I118-N589 HydrophobicContact CG1-CB 4.07Å
119L83.5Confident80Confident90 Ų9062 Ų6247%0.47134%0.341SS..Hα-helixtrans-68.6-35.4178.2-71.6172.9000112.4L115 N116 M122L115-L119 HydrophobicContact CG-CD1 4.14Å; L115-L119 HydrophobicContact CG-CG 4.47Å; L115-L119 WeakPolarHBondContact O-CG 3.48Å; L115-L119 PolarHBondContact O-N 3.5Å; N116-L119 PolarHBondContact O-N 3.27Å; L119-M122 WeakPolarHBondContact O-CB 3.29Å; L119-M122 PolarHBondContact O-N 2.9Å
120Q80.5Confident80.5Confident117 Ų11761.1 Ų61.155%0.54733%0.33SS..Hα-helixtrans-66.3-38.9175.2-74.9177.2-7.800112.1N116 S117 M122 V123N116-Q120 WeakPolarHBondContact O-CG 3.11Å; N116-Q120 PolarHBondContact O-N 3.22Å; S117-Q120 PolarHBondContact O-N 3.12Å; Q120-M122 PolarHBondContact O-N 3.09Å; Q120-V123 PolarHBondContact O-N 3.45Å
121A78.6Confident81.1Confident7 Ų758.8 Ų58.86%0.05831%0.313CS..Hα-helixtrans-65.5-19.9176.200000113.8S117 I118 P124 L260S117-A121 PolarHBondContact O-N 3.4Å; S117-A121 VanDerWaalsContact O-N 3.1Å; I118-A121 PolarHBondContact O-N 2.96Å; A121-P124 WeakPolarHBondContact O-CD 3.41Å; A121-L260 HydrophobicContact CB-CD2 3.86Å
122M83.9Confident81.6Confident114 Ų11460 Ų6056%0.56232%0.321SS*.Hα-helixtrans-72.9-29.5180-169.2-178.5179.200112.9I118 L119 Q120 L125 F126 Y585I118-M122 PolarHBondContact O-N 2.95Å; L119-M122 WeakPolarHBondContact O-CB 3.29Å; L119-M122 PolarHBondContact O-N 2.9Å; Q120-M122 PolarHBondContact O-N 3.09Å; M122-L125 WeakPolarHBondContact O-CB 3.32Å; M122-L125 PolarHBondContact O-N 2.99Å; M122-F126 PolarHBondContact O-N 2.82Å; M122-Y585 WeakPolarHBondContact CA-OH 3.41Å; M122-Y585 PolarHBondContact N-OH 2.9Å; M122-Y585 VanDerWaalsContact N-OH 3.1Å
123V84.5Confident82Confident106 Ų10661.7 Ų61.764%0.64233%0.331SS*.Hα-helixtrans-60-52.5-175.41790000112.7Q120 L125 F126Q120-V123 PolarHBondContact O-N 3.45Å; V123-L125 VanDerWaalsContact C-N 3.26Å; V123-L125 PolarHBondContact O-N 3.19Å; V123-F126 WeakPolarHBondContact O-CB 3.11Å; V123-F126 PolarHBondContact O-N 3.45Å; V123-F126 VanDerWaalsContact O-N 3.15Å
124P78.9Confident82.6Confident34 Ų3457 Ų5722%0.22131%0.306CS..Hα-helixtrans-68.9-25.1178.324-31.1000113A121 F126 V259 E263A121-P124 WeakPolarHBondContact O-CD 3.41Å; P124-F126 PolarHBondContact O-N 3.39Å; P124-V259 HydrophobicContact CB-CG1 3.81Å; P124-V259 HydrophobicContact CG-CG1 4.06Å; P124-E263 HydrophobicContact CB-CG 4.38Å; P124-E263 HydrophobicContact CG-CG 3.47Å; P124-E263 VanDerWaalsContact CG-CG 3.47Å
125L84.2Confident83.3Confident17 Ų1757.2 Ų57.29%0.08931%0.307CS..Hα-helixtrans-68.6-16173.2-73.9175.9000113.5M122 V123 H127 V128 A129 I256 V259 L260 Y585M122-L125 WeakPolarHBondContact O-CB 3.32Å; M122-L125 PolarHBondContact O-N 2.99Å; V123-L125 VanDerWaalsContact C-N 3.26Å; V123-L125 PolarHBondContact O-N 3.19Å; L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 3.27Å; L125-V128 HydrophobicContact CD2-CB 4.39Å; L125-V128 HydrophobicContact CD2-CG2 4.26Å; L125-V128 CarbonylContact O-C 3.52Å; L125-V128 WeakPolarHBondContact O-CA 3.45Å; L125-V128 WeakPolarHBondContact O-CB 3.37Å; L125-V128 PolarHBondContact O-N 2.84Å; L125-A129 PolarHBondContact O-N 3.3Å; L125-I256 HydrophobicContact CD2-CB 4.29Å; L125-I256 HydrophobicContact CD2-CG1 4.32Å; L125-I256 HydrophobicContact CD2-CG2 3.93Å; L125-V259 HydrophobicContact CD2-CB 3.92Å; L125-V259 HydrophobicContact CD2-CG1 3.78Å; L125-V259 HydrophobicContact CG-CG1 4.1Å; L125-L260 HydrophobicContact CD1-CD1 4.25Å; L125-L260 HydrophobicContact CD1-CD2 3.66Å; L125-L260 HydrophobicContact CD1-CG 3.91Å; L125-L260 HydrophobicContact CD2-CG 4.31Å; L125-L260 HydrophobicContact CG-CD2 4.29Å; L125-L260 HydrophobicContact CG-CG 4.38Å; L125-Y585 HydrophobicContact CD1-CD2 4.08Å; L125-Y585 HydrophobicContact CD1-CE2 3.43Å; L125-Y585 VanDerWaalsContact CD1-CE2 3.43Å
126F85.1Confident83.9Confident133 Ų13355.9 Ų55.958%0.58330%0.301SS*.Hα-helixtrans-56.7-40.4177.5-178.5-101.7000112.6M122 V123 P124 V128 A129 L130M122-F126 PolarHBondContact O-N 2.82Å; V123-F126 WeakPolarHBondContact O-CB 3.11Å; V123-F126 PolarHBondContact O-N 3.45Å; V123-F126 VanDerWaalsContact O-N 3.15Å; P124-F126 PolarHBondContact O-N 3.39Å; F126-V128 VanDerWaalsContact C-N 3.29Å; F126-V128 PolarHBondContact O-N 3.42Å; F126-A129 PolarHBondContact O-N 3.34Å; F126-L130 HydrophobicContact CE1-CD1 4.4Å; F126-L130 WeakPolarHBondContact O-CB 3.36Å; F126-L130 PolarHBondContact O-N 3.22Å
127H82.1Confident84.3Confident102 Ų10254.3 Ų54.347%0.47229%0.292SS..Hα-helixtrans-65-34.9176-68.5-54.8000112.5L125 L131L125-H127 VanDerWaalsContact C-N 3.26Å; L125-H127 PolarHBondContact O-N 3.27Å; H127-L131 PolarHBondContact O-N 3.04Å
128V85.1Confident85Confident1 Ų152.9 Ų52.91%0.00628%0.28CS..Hα-helixtrans-69.5-49.4175.4178.30000110.4L125 F126 L130 L131 V132 L255 I256 V259 L1139L125-V128 HydrophobicContact CD2-CB 4.39Å; L125-V128 HydrophobicContact CD2-CG2 4.26Å; L125-V128 CarbonylContact O-C 3.52Å; L125-V128 WeakPolarHBondContact O-CA 3.45Å; L125-V128 WeakPolarHBondContact O-CB 3.37Å; L125-V128 PolarHBondContact O-N 2.84Å; F126-V128 VanDerWaalsContact C-N 3.29Å; F126-V128 PolarHBondContact O-N 3.42Å; V128-L130 PolarHBondContact O-N 3.43Å; V128-L131 WeakPolarHBondContact O-CA 3.43Å; V128-L131 WeakPolarHBondContact O-CB 3.5Å; V128-L131 PolarHBondContact O-N 2.94Å; V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG2 3.4Å; V128-V132 PolarHBondContact O-N 2.83Å; V128-L255 HydrophobicContact CB-CD2 3.97Å; V128-L255 HydrophobicContact CB-CG 4.42Å; V128-L255 HydrophobicContact CG1-CB 4.44Å; V128-L255 HydrophobicContact CG1-CD2 3.45Å; V128-L255 VanDerWaalsContact CG1-CD2 3.45Å; V128-L255 HydrophobicContact CG1-CG 3.96Å; V128-L255 HydrophobicContact CG2-CD2 3.69Å; V128-L255 HydrophobicContact CG2-CG 3.73Å; V128-I256 HydrophobicContact CG1-CD1 4.41Å; V128-I256 HydrophobicContact CG1-CG1 3.57Å; V128-V259 HydrophobicContact CG2-CG2 3.85Å; V128-L1139 HydrophobicContact CG2-CD1 4.2Å
129A86.7Confident85.5Confident57 Ų5753.5 Ų53.547%0.47128%0.282SS..Hα-helixtrans-57.8-38.1178.600000112.1L125 F126 V132 L133L125-A129 PolarHBondContact O-N 3.3Å; F126-A129 PolarHBondContact O-N 3.34Å; A129-V132 PolarHBondContact O-N 2.79Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.41Å
130L85.5Confident86Confident70 Ų7049.2 Ų49.237%0.36626%0.259SS..Hα-helixtrans-66-38.4174.8-170.8149.3000112.2F126 V128 F134 I1136F126-L130 HydrophobicContact CE1-CD1 4.4Å; F126-L130 WeakPolarHBondContact O-CB 3.36Å; F126-L130 PolarHBondContact O-N 3.22Å; V128-L130 PolarHBondContact O-N 3.43Å; L130-F134 WeakPolarHBondContact O-CB 3.47Å; L130-F134 PolarHBondContact O-N 3.35Å; L130-I1136 HydrophobicContact CD2-CD1 3.27Å; L130-I1136 HydrophobicContact CD2-CG1 4.03Å
131L84.7Confident86.5Confident8 Ų843.7 Ų43.74%0.04223%0.234CC..Hα-helixtrans-63.5-44.8172.4176.867.8000111.3H127 V128 F134 V135 F251 L255 L1130 I1136 L1139 V1140H127-L131 PolarHBondContact O-N 3.04Å; V128-L131 WeakPolarHBondContact O-CA 3.43Å; V128-L131 WeakPolarHBondContact O-CB 3.5Å; V128-L131 PolarHBondContact O-N 2.94Å; L131-F134 WeakPolarHBondContact O-CB 3.4Å; L131-F134 PolarHBondContact O-N 3.48Å; L131-V135 HydrophobicContact CD1-CG2 4.38Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 3.48Å; L131-F251 HydrophobicContact CD2-CE1 3.73Å; L131-F251 HydrophobicContact CD2-CZ 4.47Å; L131-L255 HydrophobicContact CD2-CD2 3.88Å; L131-L1130 HydrophobicContact CD1-CD2 4.14Å; L131-I1136 HydrophobicContact CD1-CG2 3.78Å; L131-L1139 HydrophobicContact CD2-CD2 3.7Å; L131-V1140 HydrophobicContact CD1-CG2 4.01Å; L131-V1140 HydrophobicContact CD2-CG2 4.2Å
132V87.4Confident87Confident27 Ų2745 Ų4516%0.16424%0.239CC..Hα-helixtrans-60.7-48.3178.6178.50000111V128 A129 F134 V135 I136 V252V128-V132 HydrophobicContact CG1-CG2 4.41Å; V128-V132 WeakPolarHBondContact O-CG2 3.4Å; V128-V132 PolarHBondContact O-N 2.83Å; A129-V132 PolarHBondContact O-N 2.79Å; V132-F134 PolarHBondContact O-N 2.72Å; V132-V135 PolarHBondContact O-N 2.97Å; V132-V135 VanDerWaalsContact O-N 3.17Å; V132-I136 HydrophobicContact CG1-CD1 3.94Å; V132-I136 HydrophobicContact CG1-CG1 4.49Å; V132-I136 WeakPolarHBondContact O-CG1 3.31Å; V132-I136 PolarHBondContact O-N 2.89Å; V132-V252 HydrophobicContact CG2-CB 4.14Å; V132-V252 HydrophobicContact CG2-CG1 3.27Å; V132-V252 HydrophobicContact CG2-CG2 3.73Å
133L88.5Confident87.4Confident90 Ų9039.6 Ų39.647%0.47121%0.212SC..Hα-helixtrans-57.1-41.5176.1179.364.3000111.3A129 I136 I137 M209A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.41Å; L133-I136 PolarHBondContact O-N 2.93Å; L133-I137 HydrophobicContact CD1-CD1 4.31Å; L133-I137 HydrophobicContact CG-CD1 4.08Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.26Å; L133-I137 PolarHBondContact O-N 3.4Å; L133-M209 HydrophobicContact CD1-CE 4.33Å
134F86.4Confident87.6Confident24 Ų2434.5 Ų34.511%0.10518%0.182CC..Hα-helixtrans-65.6-42.1177.9-171.2-96.6000112.7L130 L131 V132 I137 I138 L1126 L1129 L1130L130-F134 WeakPolarHBondContact O-CB 3.47Å; L130-F134 PolarHBondContact O-N 3.35Å; L131-F134 WeakPolarHBondContact O-CB 3.4Å; L131-F134 PolarHBondContact O-N 3.48Å; V132-F134 PolarHBondContact O-N 2.72Å; F134-I137 PolarHBondContact O-N 3.24Å; F134-I138 HydrophobicContact CD1-CD1 3.49Å; F134-I138 VanDerWaalsContact CD1-CD1 3.49Å; F134-I138 HydrophobicContact CD1-CG1 4.12Å; F134-I138 HydrophobicContact CE1-CD1 3.2Å; F134-I138 HydrophobicContact CE1-CG1 3.79Å; F134-I138 HydrophobicContact CZ-CD1 4.11Å; F134-I138 HydrophobicContact CZ-CG1 4.26Å; F134-I138 WeakPolarHBondContact O-CG1 3.37Å; F134-I138 PolarHBondContact O-N 3.11Å; F134-L1126 HydrophobicContact CE2-CD1 4.17Å; F134-L1126 HydrophobicContact CE2-CG 4.02Å; F134-L1126 HydrophobicContact CZ-CD1 4.41Å; F134-L1126 HydrophobicContact CZ-CD2 4.5Å; F134-L1126 HydrophobicContact CZ-CG 3.81Å; F134-L1126 WeakPolarHBondContact CZ-O 3.18Å; F134-L1129 HydrophobicContact CE2-CB 3.72Å; F134-L1129 HydrophobicContact CE2-CD1 3.75Å; F134-L1129 HydrophobicContact CE2-CG 4.3Å; F134-L1129 HydrophobicContact CZ-CB 3.82Å; F134-L1129 HydrophobicContact CZ-CD1 4.4Å; F134-L1130 HydrophobicContact CD1-CD1 4.22Å; F134-L1130 HydrophobicContact CD1-CD2 3.44Å; F134-L1130 VanDerWaalsContact CD1-CD2 3.44Å; F134-L1130 HydrophobicContact CD1-CG 3.86Å; F134-L1130 HydrophobicContact CE1-CD1 3.73Å; F134-L1130 HydrophobicContact CE1-CD2 3.46Å; F134-L1130 VanDerWaalsContact CE1-CD2 3.46Å; F134-L1130 HydrophobicContact CE1-CG 3.32Å; F134-L1130 HydrophobicContact CG-CD2 4.22Å; F134-L1130 HydrophobicContact CZ-CD2 4.27Å; F134-L1130 HydrophobicContact CZ-CG 4.01Å
135V87.6Confident88Confident22 Ų2233.5 Ų33.513%0.13317%0.174CC..Hα-helixtrans-61.6-44.8174172.20000110.6L131 V132 I137 I138 Y139L131-V135 HydrophobicContact CD1-CG2 4.38Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 3.48Å; V132-V135 PolarHBondContact O-N 2.97Å; V132-V135 VanDerWaalsContact O-N 3.17Å; V135-I137 VanDerWaalsContact C-N 3.33Å; V135-I137 PolarHBondContact O-N 3.09Å; V135-I138 PolarHBondContact O-N 2.86Å; V135-Y139 HydrophobicContact CG1-CD2 3.79Å; V135-Y139 HydrophobicContact CG1-CE2 4.02Å; V135-Y139 WeakPolarHBondContact O-CD2 3.33Å; V135-Y139 PolarHBondContact O-N 3.29Å
136I91.5Very high88.1Confident15 Ų1534.3 Ų34.38%0.07718%0.178CC..Hα-helixtrans-56.7-46.8175.3-69.6165.8000110.6V132 L133 Y139 A140 M209 V212 F213 I216V132-I136 HydrophobicContact CG1-CD1 3.94Å; V132-I136 HydrophobicContact CG1-CG1 4.49Å; V132-I136 WeakPolarHBondContact O-CG1 3.31Å; V132-I136 PolarHBondContact O-N 2.89Å; L133-I136 PolarHBondContact O-N 2.93Å; I136-Y139 PolarHBondContact O-N 3.37Å; I136-A140 WeakPolarHBondContact O-CB 3.46Å; I136-A140 PolarHBondContact O-N 3.46Å; I136-M209 HydrophobicContact CG2-CB 4.28Å; I136-M209 HydrophobicContact CG2-CE 4.14Å; I136-M209 HydrophobicContact CG2-CG 4.17Å; I136-V212 HydrophobicContact CB-CG1 4.43Å; I136-V212 HydrophobicContact CG1-CG1 4.4Å; I136-V212 HydrophobicContact CG2-CG1 4.21Å; I136-F213 HydrophobicContact CD1-CD2 4.28Å; I136-I216 HydrophobicContact CD1-CD1 4.37Å; I136-I216 HydrophobicContact CG1-CD1 3.53Å
137I90.2Very high88.3Confident47 Ų4728.4 Ų28.424%0.24115%0.152CC..Hα-helixtrans-64.1-43.3179.7-66.9165.2000111.3L133 F134 V135 A140 V141 M209 T1036 L1126L133-I137 HydrophobicContact CD1-CD1 4.31Å; L133-I137 HydrophobicContact CG-CD1 4.08Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.26Å; L133-I137 PolarHBondContact O-N 3.4Å; F134-I137 PolarHBondContact O-N 3.24Å; V135-I137 VanDerWaalsContact C-N 3.33Å; V135-I137 PolarHBondContact O-N 3.09Å; I137-A140 PolarHBondContact O-N 2.93Å; I137-V141 HydrophobicContact CG2-CG2 4.31Å; I137-V141 WeakPolarHBondContact O-CB 3.5Å; I137-V141 VanDerWaalsContact O-CG2 3.27Å; I137-V141 WeakPolarHBondContact O-CG2 3.26Å; I137-V141 PolarHBondContact O-N 2.86Å; I137-M209 HydrophobicContact CG1-CE 4.3Å; I137-T1036 HydrophobicContact CG2-CG2 4.41Å; I137-L1126 HydrophobicContact CG2-CD2 4.02Å
138I89.6Confident88.6Confident21 Ų2124.7 Ų24.711%0.10814%0.138CC..Hα-helixtrans-58.2-52.4177.1-67.1161.7000110.6F134 V135 V141 M142 V1123 L1126F134-I138 HydrophobicContact CD1-CD1 3.49Å; F134-I138 VanDerWaalsContact CD1-CD1 3.49Å; F134-I138 HydrophobicContact CD1-CG1 4.12Å; F134-I138 HydrophobicContact CE1-CD1 3.2Å; F134-I138 HydrophobicContact CE1-CG1 3.79Å; F134-I138 HydrophobicContact CZ-CD1 4.11Å; F134-I138 HydrophobicContact CZ-CG1 4.26Å; F134-I138 WeakPolarHBondContact O-CG1 3.37Å; F134-I138 PolarHBondContact O-N 3.11Å; V135-I138 PolarHBondContact O-N 2.86Å; I138-V141 PolarHBondContact O-N 2.81Å; I138-M142 HydrophobicContact CG2-CE 4.27Å; I138-M142 VanDerWaalsContact O-CB 3.28Å; I138-M142 WeakPolarHBondContact O-CB 3.28Å; I138-M142 PolarHBondContact O-N 2.83Å; I138-V1123 HydrophobicContact CG2-CG1 4.43Å; I138-L1126 HydrophobicContact CB-CD2 4.03Å; I138-L1126 HydrophobicContact CG1-CD2 3.35Å; I138-L1126 HydrophobicContact CG1-CG 4.04Å
139Y92.1Very high88.6Confident21 Ų2124.9 Ų24.98%0.08214%0.14CC..Hα-helixtrans-68.6-37.7-176.9-85.3-86.9000111.4V135 I136 M142 G143 Y240 S243 L244V135-Y139 HydrophobicContact CG1-CD2 3.79Å; V135-Y139 HydrophobicContact CG1-CE2 4.02Å; V135-Y139 WeakPolarHBondContact O-CD2 3.33Å; V135-Y139 PolarHBondContact O-N 3.29Å; I136-Y139 PolarHBondContact O-N 3.37Å; Y139-M142 WeakPolarHBondContact O-CB 3.37Å; Y139-M142 PolarHBondContact O-N 3.14Å; Y139-G143 PolarHBondContact O-N 3.12Å; Y139-Y240 HydrophobicContact CD1-CD2 4.02Å; Y139-Y240 AromaticContact CD1-CE2 3.56Å; Y139-Y240 HydrophobicContact CD1-CE2 3.56Å; Y139-Y240 AromaticContact CD1-CZ 3.9Å; Y139-Y240 HydrophobicContact CE1-CD2 4.34Å; Y139-Y240 HydrophobicContact CE1-CE2 4.32Å; Y139-Y240 HydrophobicContact CG-CE2 4.49Å; Y139-Y240 PolarHBondContact O-OH 2.83Å; Y139-S243 WeakPolarHBondContact OH-CB 3.49Å; Y139-S243 PolarHBondContact OH-O 3.44Å; Y139-S243 PolarHBondContact OH-OG 2.92Å; Y139-L244 HydrophobicContact CD1-CB 3.96Å; Y139-L244 HydrophobicContact CD1-CD1 3.8Å; Y139-L244 HydrophobicContact CD1-CG 4.34Å; Y139-L244 HydrophobicContact CD2-CD1 3.87Å; Y139-L244 HydrophobicContact CE1-CB 3.79Å; Y139-L244 HydrophobicContact CE1-CD1 4.23Å; Y139-L244 HydrophobicContact CE2-CD1 4.29Å; Y139-L244 HydrophobicContact CG-CD1 3.61Å
140A93.4Very high88.6Confident0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-63.6-44.1176.200000112.2I136 I137 M142 G143 L144 I205 A208 M209 V212I136-A140 WeakPolarHBondContact O-CB 3.46Å; I136-A140 PolarHBondContact O-N 3.46Å; I137-A140 PolarHBondContact O-N 2.93Å; A140-M142 VanDerWaalsContact C-N 3.34Å; A140-G143 PolarHBondContact O-N 2.88Å; A140-L144 VanDerWaalsContact O-CB 3.27Å; A140-L144 WeakPolarHBondContact O-CB 3.48Å; A140-L144 PolarHBondContact O-N 3.49Å; A140-I205 HydrophobicContact CB-CD1 3.78Å; A140-A208 HydrophobicContact CB-CB 4.01Å; A140-M209 HydrophobicContact CB-CB 4.38Å; A140-M209 HydrophobicContact CB-CG 3.64Å; A140-V212 HydrophobicContact CB-CG2 4.31Å
141V91.1Very high88.8Confident2 Ų222.9 Ų22.91%0.01212%0.117CC..Hα-helixtrans-66.5-37.7174.8175.60000111I137 I138 L144 E145 I205 L1039 V1123I137-V141 HydrophobicContact CG2-CG2 4.31Å; I137-V141 WeakPolarHBondContact O-CB 3.5Å; I137-V141 VanDerWaalsContact O-CG2 3.27Å; I137-V141 WeakPolarHBondContact O-CG2 3.26Å; I137-V141 PolarHBondContact O-N 2.86Å; I138-V141 PolarHBondContact O-N 2.81Å; V141-L144 PolarHBondContact O-N 3.21Å; V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 3.21Å; V141-I205 HydrophobicContact CG2-CD1 3.82Å; V141-L1039 HydrophobicContact CG1-CB 3.92Å; V141-L1039 HydrophobicContact CG1-CD1 4.41Å; V141-V1123 HydrophobicContact CB-CG1 4.32Å; V141-V1123 HydrophobicContact CG1-CG1 4.05Å; V141-V1123 HydrophobicContact CG1-CG2 3.96Å
142M89.5Confident89Confident34 Ų3423.2 Ų23.217%0.16712%0.119CC..Hα-helixtrans-64.3-45.7175.2-174179-57.300112I138 Y139 A140 E145 L146 Y240 L1120 V1123I138-M142 HydrophobicContact CG2-CE 4.27Å; I138-M142 VanDerWaalsContact O-CB 3.28Å; I138-M142 WeakPolarHBondContact O-CB 3.28Å; I138-M142 PolarHBondContact O-N 2.83Å; Y139-M142 WeakPolarHBondContact O-CB 3.37Å; Y139-M142 PolarHBondContact O-N 3.14Å; A140-M142 VanDerWaalsContact C-N 3.34Å; M142-E145 PolarHBondContact O-N 3.04Å; M142-L146 HydrophobicContact CG-CD1 3.99Å; M142-L146 WeakPolarHBondContact O-CB 3.21Å; M142-L146 VanDerWaalsContact O-CG 3.29Å; M142-L146 WeakPolarHBondContact O-CG 3.3Å; M142-L146 PolarHBondContact O-N 3.49Å; M142-Y240 HydrophobicContact CB-CE2 4.13Å; M142-Y240 HydrophobicContact CG-CD2 4.14Å; M142-Y240 HydrophobicContact CG-CE2 4.03Å; M142-Y240 HydrophobicContact SD-CD2 3.85Å; M142-Y240 HydrophobicContact SD-CE2 4.11Å; M142-L1120 HydrophobicContact CG-CD2 3.54Å; M142-L1120 HydrophobicContact SD-CD2 4.12Å; M142-V1123 HydrophobicContact CB-CG1 4.34Å
143G90.6Very high89.1Confident0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-64.4-40176.100000112.3Y139 A140 L146 F147Y139-G143 PolarHBondContact O-N 3.12Å; A140-G143 PolarHBondContact O-N 2.88Å; G143-L146 PolarHBondContact O-N 3.22Å; G143-F147 WeakPolarHBondContact O-CA 3.17Å; G143-F147 WeakPolarHBondContact O-CB 3.4Å; G143-F147 PolarHBondContact O-N 3.25Å
144L90.5Very high89.2Confident0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-58.9-46.1172.6-177.865.1000111.4A140 V141 C148 F202 I205 R1042A140-L144 VanDerWaalsContact O-CB 3.27Å; A140-L144 WeakPolarHBondContact O-CB 3.48Å; A140-L144 PolarHBondContact O-N 3.49Å; V141-L144 PolarHBondContact O-N 3.21Å; L144-C148 HydrophobicContact CD1-CB 4.22Å; L144-C148 WeakPolarHBondContact O-CB 3.45Å; L144-C148 PolarHBondContact O-N 3.26Å; L144-F202 WeakPolarHBondContact CD1-O 3.39Å; L144-I205 HydrophobicContact CD2-CB 4.4Å; L144-R1042 HydrophobicContact CD2-CB 4.14Å; L144-R1042 HydrophobicContact CG-CB 4.43Å
145E86.4Confident89.4Confident12 Ų1220.4 Ų20.46%0.05610%0.099CC..Hα-helixtrans-68.2-34.8178.9-78.2-66.913700113.7V141 M142 R1042 V1123V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 3.21Å; M142-E145 PolarHBondContact O-N 3.04Å; E145-R1042 VanDerWaalsContact OE1-CD 3.22Å; E145-R1042 WeakPolarHBondContact OE1-CD 3.46Å; E145-R1042 IonicContact OE1-CZ 3.61Å; E145-R1042 IonicContact OE1-NE 2.77Å; E145-R1042 IonicContact OE1-NH1 2.74Å; E145-R1042 PolarHBondContact OE1-NH1 2.66Å; E145-R1042 IonicContact OE2-CZ 3.62Å; E145-R1042 IonicContact OE2-NH1 2.56Å; E145-R1042 PolarHBondContact OE2-NH1 3.22Å; E145-V1123 HydrophobicContact CG-CG2 4.1Å
146L86.1Confident89.5Confident34 Ų3419.6 Ų19.618%0.17810%0.095CC..Hα-helixtrans-85-38.4-177.4-68.5176.3000113.4M142 G143 Y240 L1120M142-L146 HydrophobicContact CG-CD1 3.99Å; M142-L146 WeakPolarHBondContact O-CB 3.21Å; M142-L146 VanDerWaalsContact O-CG 3.29Å; M142-L146 WeakPolarHBondContact O-CG 3.3Å; M142-L146 PolarHBondContact O-N 3.49Å; G143-L146 PolarHBondContact O-N 3.22Å; L146-Y240 HydrophobicContact CD1-CD2 4.43Å; L146-L1120 HydrophobicContact CD1-CD2 4.06Å; L146-L1120 HydrophobicContact CD2-CD2 3.98Å; L146-L1120 HydrophobicContact CD2-CG 4.36Å; L146-L1120 HydrophobicContact CG-CD2 4.03Å
147F88.6Confident89.3Confident9 Ų921.8 Ų21.84%0.03911%0.106CC..Hα-helixtrans-123.81.4-161.7-48.9-43.7000114.9G143 G149 K150 F202 V228 I232 Y240G143-F147 WeakPolarHBondContact O-CA 3.17Å; G143-F147 WeakPolarHBondContact O-CB 3.4Å; G143-F147 PolarHBondContact O-N 3.25Å; F147-G149 PolarHBondContact O-N 3.26Å; F147-K150 WeakPolarHBondContact O-CB 3.49Å; F147-K150 PolarHBondContact O-N 3.35Å; F147-F202 HydrophobicContact CB-CB 4.01Å; F147-F202 HydrophobicContact CB-CD2 3.82Å; F147-F202 HydrophobicContact CB-CG 4.03Å; F147-F202 HydrophobicContact CD2-CD2 4.04Å; F147-F202 HydrophobicContact CD2-CE2 4.04Å; F147-F202 HydrophobicContact CD2-CG 4.35Å; F147-F202 HydrophobicContact CD2-CZ 4.36Å; F147-F202 HydrophobicContact CG-CD2 4.39Å; F147-V228 HydrophobicContact CD1-CG1 3.81Å; F147-V228 HydrophobicContact CE1-CG1 3.6Å; F147-V228 HydrophobicContact CE2-CG1 4.35Å; F147-V228 HydrophobicContact CG-CG1 4.26Å; F147-V228 HydrophobicContact CZ-CG1 3.9Å; F147-I232 HydrophobicContact CD1-CD1 3.39Å; F147-I232 HydrophobicContact CE1-CD1 3.8Å; F147-Y240 AromaticContact CE2-CD1 3.93Å; F147-Y240 HydrophobicContact CE2-CD1 3.93Å; F147-Y240 HydrophobicContact CE2-CD2 4.41Å; F147-Y240 HydrophobicContact CE2-CE1 4.15Å; F147-Y240 HydrophobicContact CE2-CG 4.07Å; F147-Y240 HydrophobicContact CZ-CG 4.41Å
148C88.7Confident88.9Confident25 Ų2522.5 Ų22.517%0.16912%0.119CC..THydrogen-bonded Turntrans-54.3128.2177.71760000112.2L144 K150 F202L144-C148 HydrophobicContact CD1-CB 4.22Å; L144-C148 WeakPolarHBondContact O-CB 3.45Å; L144-C148 PolarHBondContact O-N 3.26Å; C148-K150 PolarHBondContact O-N 2.83Å; C148-F202 WeakPolarHBondContact CA-O 3.13Å
149G85Confident88.6Confident5 Ų528.8 Ų28.85%0.05215%0.153CC..THydrogen-bonded Turntrans70.17.3176.700000115.5F147 D203 H1044F147-G149 PolarHBondContact O-N 3.26Å; G149-D203 WeakPolarHBondContact CA-OD1 3.34Å; G149-D203 PolarHBondContact N-OD1 2.97Å; G149-H1044 VanDerWaalsContact CA-CE1 3.48Å; G149-H1044 WeakPolarHBondContact CA-CE1 3.31Å; G149-H1044 WeakPolarHBondContact CA-ND1 3.31Å
150K87.2Confident88.1Confident82 Ų8231.3 Ų31.336%0.35717%0.171SC..SBendtrans-85.3-25-178.1-60.9-58.7-176.2-177.90113.5F147 C148 A231 I232F147-K150 WeakPolarHBondContact O-CB 3.49Å; F147-K150 PolarHBondContact O-N 3.35Å; C148-K150 PolarHBondContact O-N 2.83Å; K150-A231 HydrophobicContact CB-CB 4.39Å; K150-I232 HydrophobicContact CB-CD1 4.41Å; K150-I232 HydrophobicContact CB-CG1 4.45Å; K150-I232 HydrophobicContact CG-CD1 4.14Å; K150-I232 HydrophobicContact CG-CG1 4.39Å
151L90.6Very high87.5Confident2 Ų232.9 Ų32.91%0.0119%0.186CC..THydrogen-bonded Turntrans-90.71.6-173.9-64174.3000113.9P170 W192 F202 W227 V228 A231L151-P170 HydrophobicContact CD2-CB 4.41Å; L151-P170 HydrophobicContact CD2-CG 4.04Å; L151-W192 WeakPolarHBondContact O-CH2 3.42Å; L151-W192 WeakPolarHBondContact O-CZ3 3.11Å; L151-F202 HydrophobicContact CD1-CD2 4.09Å; L151-W227 HydrophobicContact CD2-CB 4.1Å; L151-V228 HydrophobicContact CD2-CG2 4.22Å; L151-A231 HydrophobicContact CD2-CB 4.26Å
152N88.1Confident87.1Confident16 Ų1637.5 Ų37.59%0.08621%0.208CC..THydrogen-bonded Turntrans-94.43.5-174.1-60.2-11.3000113.4E188 D203 H1044N152-E188 HydrophobicContact CB-CG 4.33Å; N152-D203 PolarHBondContact ND2-OD2 2.66Å; N152-D203 PolarHBondContact OD1-OD2 3.16Å; N152-H1044 PolarHBondContact ND2-CD2 3.37Å; N152-H1044 VanDerWaalsContact ND2-CD2 3.25Å; N152-H1044 PolarHBondContact ND2-NE2 2.99Å
153R89.3Confident86.8Confident78 Ų7837.7 Ų37.729%0.29421%0.212SC..EExtended strand (participates in β ladder)trans-108.9132.6-176.5-61.7175.5-175.7-173.6-5.3110.7P170 C171 E188 W192R153-P170 CarbonylContact O-C 3.57Å; R153-P170 VanDerWaalsContact O-CA 3.25Å; R153-P170 WeakPolarHBondContact O-CA 3.42Å; R153-C171 VanDerWaalsContact C-SG 3.58Å; R153-C171 PolarHBondContact O-N 3.38Å; R153-E188 HydrophobicContact CG-CG 3.79Å; R153-W192 WeakPolarHBondContact O-CZ3 3.23Å
154T90.9Very high86.4Confident1 Ų140.6 Ų40.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-132.7171.4175.5-173.20000110.3V156 P163 P168 V169 C171 C186 T187 T189 W192T154-V156 HydrophobicContact CG2-CG2 4.19Å; T154-V156 WeakPolarHBondContact O-CG2 3.41Å; T154-P163 HydrophobicContact CG2-CB 4.33Å; T154-P168 HydrophobicContact CG2-CB 4.45Å; T154-V169 PolarHBondContact OG1-O 3.25Å; T154-V169 VanDerWaalsContact OG1-O 3.07Å; T154-C171 WeakPolarHBondContact CA-SG 3.35Å; T154-C171 PolarHBondContact O-SG 2.94Å; T154-C186 WeakPolarHBondContact O-CA 3.21Å; T154-T187 PolarHBondContact N-O 3.32Å; T154-T187 PolarHBondContact O-N 3.27Å; T154-T187 VanDerWaalsContact O-N 3.15Å; T154-T189 HydrophobicContact CG2-CG2 4.39Å; T154-W192 HydrophobicContact CG2-CB 4.4Å; T154-W192 HydrophobicContact CG2-CD2 4.24Å; T154-W192 HydrophobicContact CG2-CE3 3.64Å; T154-W192 HydrophobicContact CG2-CZ3 4.23Å
155C90.9Very high85.6Confident3 Ų343 Ų432%0.0224%0.243CC..EExtended strand (participates in β ladder)trans-78.4119.8174.6-62.20000109.8V164 C180C155-V164 PolarHBondContact O-N 3.25Å; C155-C180 WeakPolarHBondContact CA-SG 3.38Å; C155-C180 HydrophobicContact CB-CB 3.71Å; C155-C180 WeakPolarHBondContact CB-SG 3.46Å; C155-C180 WeakPolarHBondContact SG-CA 3.32Å; C155-C180 WeakPolarHBondContact SG-CB 3.46Å; C155-C180 CovalentContact SG-SG 2.03Å; C155-C180 PolarHBondContact SG-SG 3.19Å
156V89.3Confident84.7Confident5 Ų547 Ų473%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-118.8137-173-165.50000108.8T154 A158 G161 E162 E184 N185 T189T154-V156 HydrophobicContact CG2-CG2 4.19Å; T154-V156 WeakPolarHBondContact O-CG2 3.41Å; V156-A158 PolarHBondContact O-N 3.37Å; V156-G161 VanDerWaalsContact CG1-CA 3.45Å; V156-G161 WeakPolarHBondContact CG1-O 3.46Å; V156-E162 WeakPolarHBondContact CA-O 3.39Å; V156-E162 WeakPolarHBondContact CG1-O 3.34Å; V156-E184 WeakPolarHBondContact O-CA 3.4Å; V156-N185 PolarHBondContact N-O 3.46Å; V156-N185 PolarHBondContact O-N 3.23Å; V156-T189 HydrophobicContact CB-CG2 4.05Å; V156-T189 HydrophobicContact CG1-CG2 3.68Å; V156-T189 HydrophobicContact CG2-CG2 3.11Å
157N86.5Confident84.2Confident61 Ų6153.2 Ų53.233%0.32630%0.3SS..EExtended strand (participates in β ladder)trans-67.6122.3169.5-172.8-21.6000109N159 T160 G161 E162 V164N157-N159 PolarHBondContact O-N 3.38Å; N157-N159 PolarHBondContact OD1-N 3.24Å; N157-T160 WeakPolarHBondContact CB-OG1 3.12Å; N157-T160 PolarHBondContact O-N 3.48Å; N157-G161 PolarHBondContact O-N 3.09Å; N157-E162 PolarHBondContact N-O 2.97Å; N157-V164 HydrophobicContact CB-CG2 4.32Å
158A82.9Confident83.9Confident61 Ų6154.1 Ų54.150%0.50431%0.306SS..THydrogen-bonded Turntrans-58.1-22.5-174.500000113.7V156V156-A158 PolarHBondContact O-N 3.37Å
159N82.7Confident83.8Confident153 Ų15354.5 Ų54.582%0.81831%0.308SS*.THydrogen-bonded Turntrans-92-36.6-177.7-65.2-24.9000114.1N157N157-N159 PolarHBondContact O-N 3.38Å; N157-N159 PolarHBondContact OD1-N 3.24Å
160T82.8Confident84.1Confident75 Ų7554.3 Ų54.346%0.4631%0.305SS..THydrogen-bonded Turntrans-98.9-22.6-174.359.90000113N157 E162N157-T160 WeakPolarHBondContact CB-OG1 3.12Å; N157-T160 PolarHBondContact O-N 3.48Å; T160-E162 PolarHBondContact O-N 3.17Å; T160-E162 PolarHBondContact OG1-N 3.2Å
161G80.7Confident84.3Confident32 Ų3250.5 Ų50.533%0.3329%0.289SS..  trans72.41.9-171.400000113.6V156 N157 H191V156-G161 VanDerWaalsContact CG1-CA 3.45Å; V156-G161 WeakPolarHBondContact CG1-O 3.46Å; N157-G161 PolarHBondContact O-N 3.09Å; G161-H191 PolarHBondContact O-CD2 3.41Å
162E82.9Confident84.1Confident100 Ų10050.6 Ų50.647%0.46729%0.291SS..SBendtrans-87147.5178.7-64.9177.8161.900111V156 N157 T160V156-E162 WeakPolarHBondContact CA-O 3.39Å; V156-E162 WeakPolarHBondContact CG1-O 3.34Å; N157-E162 PolarHBondContact N-O 2.97Å; T160-E162 PolarHBondContact O-N 3.17Å; T160-E162 PolarHBondContact OG1-N 3.2Å
163P82.7Confident84Confident38 Ų3857 Ų5725%0.24732%0.318CS..BIsolated β-bridgetrans-59.9141.6171.426.8-33.7000110.4T154 P168T154-P163 HydrophobicContact CG2-CB 4.33Å; P163-P168 HydrophobicContact CB-CB 4Å; P163-P168 HydrophobicContact CB-CG 4.45Å
164V80.9Confident83.5Confident61 Ų6154.5 Ų54.537%0.3732%0.317SS..SBendtrans-75.7-41.6-178.7177.80000111.2C155 N157 E184C155-V164 PolarHBondContact O-N 3.25Å; N157-V164 HydrophobicContact CB-CG2 4.32Å; V164-E184 HydrophobicContact CG2-CB 4.48Å; V164-E184 HydrophobicContact CG2-CG 3.73Å
165D74.8Confident83Confident51 Ų5159.6 Ų59.627%0.27335%0.352SS..SBendtrans-86.5139.2-178.9-64.1-30.2000109.8E167 R178D165-E167 PolarHBondContact O-N 3.42Å; D165-R178 IonicContact OD2-CZ 2.89Å; D165-R178 IonicContact OD2-NH2 2.74Å; D165-R178 PolarHBondContact OD2-NH2 3.31Å
166S67.7Low82.6Confident94 Ų9460.4 Ų60.466%0.65736%0.358SS*.SBendtrans-63.2-33.5175.455.30000112.2P168S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.47Å
167E75Confident82.4Confident166 Ų16660.1 Ų60.178%0.77636%0.357SS*.SBendtrans-109.988.3168-69.3-172.6178.900108.3D165 V169D165-E167 PolarHBondContact O-N 3.42Å; E167-V169 PolarHBondContact O-N 3.33Å
168P81.5Confident82.5Confident28 Ų2859.9 Ų59.918%0.18235%0.351CS..  trans-60.8127.5-176.820.6-32.8000111.6T154 P163 S166 W192T154-P168 HydrophobicContact CG2-CB 4.45Å; P163-P168 HydrophobicContact CB-CB 4Å; P163-P168 HydrophobicContact CB-CG 4.45Å; S166-P168 VanDerWaalsContact O-CD 3.26Å; S166-P168 WeakPolarHBondContact O-CD 3.47Å; P168-W192 HydrophobicContact CB-CD2 3.95Å; P168-W192 HydrophobicContact CB-CG 3.92Å; P168-W192 HydrophobicContact CB-CZ2 4.43Å; P168-W192 HydrophobicContact CG-CB 4.34Å; P168-W192 HydrophobicContact CG-CD2 4.13Å; P168-W192 HydrophobicContact CG-CG 3.67Å; P168-W192 WeakPolarHBondContact O-CZ2 3.41Å
169V87.2Confident82.7Confident33 Ų3362.1 Ų62.120%0.235%0.351CS..  trans-110156.4174.8-68.70000111.1T154 E167 R178T154-V169 PolarHBondContact OG1-O 3.25Å; T154-V169 VanDerWaalsContact OG1-O 3.07Å; E167-V169 PolarHBondContact O-N 3.33Å; V169-R178 VanDerWaalsContact CG2-NE 3.26Å
170P91.5Very high82.9Confident0 Ų056.2 Ų56.20%032%0.321CS..BIsolated β-bridgetrans-61149.3177.1-21.231.1000113.3L151 R153 W192 P195 W227 D230 A231L151-P170 HydrophobicContact CD2-CB 4.41Å; L151-P170 HydrophobicContact CD2-CG 4.04Å; R153-P170 CarbonylContact O-C 3.57Å; R153-P170 VanDerWaalsContact O-CA 3.25Å; R153-P170 WeakPolarHBondContact O-CA 3.42Å; P170-W192 HydrophobicContact CB-CH2 4.46Å; P170-W192 HydrophobicContact CG-CH2 4Å; P170-P195 HydrophobicContact CG-CG 4Å; P170-W227 HydrophobicContact CG-CB 3.91Å; P170-W227 HydrophobicContact CG-CG 4.27Å; P170-D230 WeakPolarHBondContact O-CB 3.42Å; P170-A231 HydrophobicContact CB-CB 4.06Å
171C91.1Very high83Confident2 Ų255 Ų551%0.01432%0.319CS..  trans-124.9157.8173.7650000112.1R153 T154 C186R153-C171 VanDerWaalsContact C-SG 3.58Å; R153-C171 PolarHBondContact O-N 3.38Å; T154-C171 WeakPolarHBondContact CA-SG 3.35Å; T154-C171 PolarHBondContact O-SG 2.94Å; C171-C186 HydrophobicContact CB-CB 3.97Å; C171-C186 WeakPolarHBondContact CB-SG 3.33Å; C171-C186 PolarHBondContact O-SG 3.29Å; C171-C186 VanDerWaalsContact O-SG 3.4Å; C171-C186 WeakPolarHBondContact SG-CA 3.38Å; C171-C186 WeakPolarHBondContact SG-CB 3.26Å; C171-C186 CovalentContact SG-SG 2.03Å; C171-C186 PolarHBondContact SG-SG 3.45Å
172G87.4Confident83Confident4 Ų462.3 Ų62.34%0.04135%0.348CS..  trans-147.6165.4-176.200000115R178 H179 D230 A231G172-R178 PolarHBondContact N-O 3.26Å; G172-H179 PolarHBondContact O-ND1 3.17Å; G172-D230 PolarHBondContact N-O 3.3Å; G172-A231 VanDerWaalsContact CA-O 3.32Å; G172-A231 WeakPolarHBondContact CA-O 3.39Å
173F85Confident82.9Confident150 Ų15061.6 Ų61.666%0.65836%0.355SS*.SBendtrans-100.2-3.4178.9-59-72.6000113.5C186F173-C186 HydrophobicContact CE1-CB 4.28Å; F173-C186 HydrophobicContact CZ-CB 4.16Å
174G78.3Confident83Confident27 Ų2761.9 Ų61.928%0.27835%0.352SS..SBendtrans-70.8150.3177.700000111.9S176 A177 H179G174-S176 PolarHBondContact O-N 3.46Å; G174-A177 VanDerWaalsContact O-CB 3.23Å; G174-A177 WeakPolarHBondContact O-CB 3.45Å; G174-A177 PolarHBondContact O-N 2.64Å; G174-H179 PolarHBondContact O-CE1 3.02Å; G174-H179 PolarHBondContact O-NE2 3.34Å
175S81.1Confident83.3Confident107 Ų10763.3 Ų63.375%0.74836%0.358SS*.THydrogen-bonded Turntrans-57.2-32.2-178.351.50000114
176S83.2Confident84Confident20 Ų2061.6 Ų61.614%0.1435%0.35CS..THydrogen-bonded Turntrans-101.55.6177.255.60000113.5G174 G233 T234 R1185G174-S176 PolarHBondContact O-N 3.46Å; S176-G233 VanDerWaalsContact OG-CA 3.29Å; S176-G233 WeakPolarHBondContact OG-CA 3.16Å; S176-T234 PolarHBondContact OG-N 2.8Å; S176-R1185 VanDerWaalsContact C-NH2 3.31Å; S176-R1185 PolarHBondContact O-NH2 3.19Å
177A85.1Confident84.9Confident0 Ų060.1 Ų60.10%034%0.337CS..SBendtrans-77.8175.3176.100000111.4G174 D230 R1185G174-A177 VanDerWaalsContact O-CB 3.23Å; G174-A177 WeakPolarHBondContact O-CB 3.45Å; G174-A177 PolarHBondContact O-N 2.64Å; A177-D230 WeakPolarHBondContact CB-O 3.41Å; A177-R1185 PolarHBondContact O-NH1 2.9Å; A177-R1185 PolarHBondContact O-NH2 3.13Å; A177-R1185 VanDerWaalsContact O-NH2 3.16Å
178R88.1Confident85.4Confident56 Ų5655.9 Ų55.921%0.21132%0.317CS..PPolyproline II helixtrans-81.2116.5169-176.2176.6173.1117.1-9.3108.7D165 V169 G172 D230 D1179D165-R178 IonicContact OD2-CZ 2.89Å; D165-R178 IonicContact OD2-NH2 2.74Å; D165-R178 PolarHBondContact OD2-NH2 3.31Å; V169-R178 VanDerWaalsContact CG2-NE 3.26Å; G172-R178 PolarHBondContact N-O 3.26Å; R178-D230 HydrophobicContact CB-CB 3.97Å; R178-D230 PolarHBondContact N-O 3.37Å; R178-D1179 IonicContact NH1-OD2 3.7Å; R178-D1179 PolarHBondContact NH1-OD2 2.98Å; R178-D1179 VanDerWaalsContact NH1-OD2 3.13Å
179H87.6Confident85.4Confident108 Ų10855.7 Ų55.750%0.532%0.316SS..PPolyproline II helixtrans-94.6141.8174.4-64.8-50.8000110.1G172 G174G172-H179 PolarHBondContact O-ND1 3.17Å; G174-H179 PolarHBondContact O-CE1 3.02Å; G174-H179 PolarHBondContact O-NE2 3.34Å
180C86.9Confident85.1Confident28 Ų2863.7 Ų63.719%0.18935%0.351CS..PPolyproline II helixtrans-76.6161.1172.7-51.30000111C155 E184C155-C180 WeakPolarHBondContact CA-SG 3.38Å; C155-C180 HydrophobicContact CB-CB 3.71Å; C155-C180 WeakPolarHBondContact CB-SG 3.46Å; C155-C180 WeakPolarHBondContact SG-CA 3.32Å; C155-C180 WeakPolarHBondContact SG-CB 3.46Å; C155-C180 CovalentContact SG-SG 2.03Å; C155-C180 PolarHBondContact SG-SG 3.19Å; C180-E184 HydrophobicContact CB-CB 3.77Å
181A84.4Confident84.5Confident50 Ų5069.6 Ų69.641%0.41338%0.378SS..PPolyproline II helixtrans-65.4162.4174.400000111.1S183 E184A181-S183 PolarHBondContact O-N 3.36Å; A181-S183 VanDerWaalsContact O-N 3.08Å; A181-E184 HydrophobicContact CB-CG 4.22Å; A181-E184 PolarHBondContact N-OE2 2.99Å; A181-E184 WeakPolarHBondContact O-CB 3.34Å; A181-E184 PolarHBondContact O-N 3.18Å
182I80.3Confident84.2Confident185 Ų18570.7 Ų70.795%0.94938%0.382SS*.THydrogen-bonded Turntrans-58.7-28.2-175.1-61.7168.9000112.6E184I182-E184 VanDerWaalsContact C-N 3.29Å
183S81.1Confident84Confident86 Ų8674 Ų7460%0.60140%0.404SS*.THydrogen-bonded Turntrans-81.8-2.1177.947.20000114.6A181A181-S183 PolarHBondContact O-N 3.36Å; A181-S183 VanDerWaalsContact O-N 3.08Å
184E85.9Confident84.1Confident43 Ų4366.9 Ų66.920%0.20137%0.373CS..EExtended strand (participates in β ladder)trans-122.5146.2-168.5-59.3163.8-169.600109.8V156 V164 C180 A181 I182V156-E184 WeakPolarHBondContact O-CA 3.4Å; V164-E184 HydrophobicContact CG2-CB 4.48Å; V164-E184 HydrophobicContact CG2-CG 3.73Å; C180-E184 HydrophobicContact CB-CB 3.77Å; A181-E184 HydrophobicContact CB-CG 4.22Å; A181-E184 PolarHBondContact N-OE2 2.99Å; A181-E184 WeakPolarHBondContact O-CB 3.34Å; A181-E184 PolarHBondContact O-N 3.18Å; I182-E184 VanDerWaalsContact C-N 3.29Å
185N86.9Confident84.6Confident92 Ų9265.9 Ų65.949%0.49236%0.362SS..EExtended strand (participates in β ladder)trans-109.1135175.8-78.7-22.2000110V156 T187V156-N185 PolarHBondContact N-O 3.46Å; V156-N185 PolarHBondContact O-N 3.23Å; N185-T187 HydrophobicContact CB-CG2 4.18Å; N185-T187 PolarHBondContact O-N 3.04Å
186C88.3Confident84.8Confident14 Ų1463.2 Ų63.210%0.09534%0.34CS..EExtended strand (participates in β ladder)trans-81.992.9170.9179.90000109.6T154 C171 F173T154-C186 WeakPolarHBondContact O-CA 3.21Å; C171-C186 HydrophobicContact CB-CB 3.97Å; C171-C186 WeakPolarHBondContact CB-SG 3.33Å; C171-C186 PolarHBondContact O-SG 3.29Å; C171-C186 VanDerWaalsContact O-SG 3.4Å; C171-C186 WeakPolarHBondContact SG-CA 3.38Å; C171-C186 WeakPolarHBondContact SG-CB 3.26Å; C171-C186 CovalentContact SG-SG 2.03Å; C171-C186 PolarHBondContact SG-SG 3.45Å; F173-C186 HydrophobicContact CE1-CB 4.28Å; F173-C186 HydrophobicContact CZ-CB 4.16Å
187T88.1Confident84.8Confident64 Ų6466.9 Ų66.939%0.39335%0.354SS..EExtended strand (participates in β ladder)trans-140.1163.2-174.2490000112.3T154 N185T154-T187 PolarHBondContact N-O 3.32Å; T154-T187 PolarHBondContact O-N 3.27Å; T154-T187 VanDerWaalsContact O-N 3.15Å; N185-T187 HydrophobicContact CB-CG2 4.18Å; N185-T187 PolarHBondContact O-N 3.04Å
188E84.2Confident84.8Confident77 Ų7767 Ų6736%0.3636%0.356SS..EExtended strand (participates in β ladder)trans-72.9141.9170.7-58.1179.8-167.400108.9N152 R153 H1044 Q1045N152-E188 HydrophobicContact CB-CG 4.33Å; R153-E188 HydrophobicContact CG-CG 3.79Å; E188-H1044 IonicContact OE1-CE1 3.72Å; E188-H1044 IonicContact OE1-NE2 2.85Å; E188-H1044 IonicContact OE2-NE2 3.92Å; E188-Q1045 PolarHBondContact OE2-NE2 3.36Å
189T82.2Confident84.8Confident24 Ų2464.5 Ų64.515%0.14735%0.347CS..  trans-127.8155.417965.20000110.8T154 V156 W192T154-T189 HydrophobicContact CG2-CG2 4.39Å; V156-T189 HydrophobicContact CB-CG2 4.05Å; V156-T189 HydrophobicContact CG1-CG2 3.68Å; V156-T189 HydrophobicContact CG2-CG2 3.11Å; T189-W192 PolarHBondContact OG1-N 3.39Å; T189-W192 VanDerWaalsContact OG1-N 3.15Å
190E79.8Confident85Confident200 Ų20059.5 Ų59.594%0.93532%0.324SS*.SBendtrans-73.2-20.9170.7-64-172.9171.500112.2
191H79.5Confident85.2Confident124 Ų12458.6 Ų58.657%0.57432%0.317SS*.SBendtrans-81.1-18.6-177.3-62.2-65.5000113.9G161G161-H191 PolarHBondContact O-CD2 3.41Å
192W84Confident85.5Confident25 Ų2556.2 Ų56.210%0.09530%0.298CS..  trans-137.4115.2179.9-174.866.3000112.1L151 R153 T154 P168 P170 T189 G194 P195L151-W192 WeakPolarHBondContact O-CH2 3.42Å; L151-W192 WeakPolarHBondContact O-CZ3 3.11Å; R153-W192 WeakPolarHBondContact O-CZ3 3.23Å; T154-W192 HydrophobicContact CG2-CB 4.4Å; T154-W192 HydrophobicContact CG2-CD2 4.24Å; T154-W192 HydrophobicContact CG2-CE3 3.64Å; T154-W192 HydrophobicContact CG2-CZ3 4.23Å; P168-W192 HydrophobicContact CB-CD2 3.95Å; P168-W192 HydrophobicContact CB-CG 3.92Å; P168-W192 HydrophobicContact CB-CZ2 4.43Å; P168-W192 HydrophobicContact CG-CB 4.34Å; P168-W192 HydrophobicContact CG-CD2 4.13Å; P168-W192 HydrophobicContact CG-CG 3.67Å; P168-W192 WeakPolarHBondContact O-CZ2 3.41Å; P170-W192 HydrophobicContact CB-CH2 4.46Å; P170-W192 HydrophobicContact CG-CH2 4Å; T189-W192 PolarHBondContact OG1-N 3.39Å; T189-W192 VanDerWaalsContact OG1-N 3.15Å; W192-G194 VanDerWaalsContact C-N 3.34Å; W192-G194 VanDerWaalsContact CE2-CA 3.47Å; W192-G194 PolarHBondContact NE1-O 3.13Å; W192-G194 VanDerWaalsContact NE1-O 3.12Å; W192-P195 HydrophobicContact CH2-CG 4.27Å; W192-P195 HydrophobicContact CZ2-CG 4.03Å
193S83.2Confident86Confident73 Ų7348.1 Ų48.151%0.5126%0.256SS..  trans-84.8-2.1-18052.70000114.4Q197 G198S193-Q197 PolarHBondContact OG-O 2.87Å; S193-G198 PolarHBondContact OG-N 3.33Å
194G87.2Confident86.5Confident1 Ų147.1 Ų47.11%0.0124%0.244CC..SBendtrans117.7179-176.100000113.3W192 Q197 G198W192-G194 VanDerWaalsContact C-N 3.34Å; W192-G194 VanDerWaalsContact CE2-CA 3.47Å; W192-G194 PolarHBondContact NE1-O 3.13Å; W192-G194 VanDerWaalsContact NE1-O 3.12Å; G194-Q197 PolarHBondContact O-N 3.23Å; G194-G198 PolarHBondContact O-N 3.32Å; G194-G198 VanDerWaalsContact O-N 3.14Å
195P89Confident86.7Confident6 Ų647.1 Ų47.14%0.03925%0.245CC..Hα-helixtrans-58.2145.5-177-22.733000112.5P170 W192 Q197 G198 T200 W227P170-P195 HydrophobicContact CG-CG 4Å; W192-P195 HydrophobicContact CH2-CG 4.27Å; W192-P195 HydrophobicContact CZ2-CG 4.03Å; P195-Q197 VanDerWaalsContact C-N 3.29Å; P195-Q197 PolarHBondContact O-N 3.29Å; P195-G198 PolarHBondContact O-N 3.07Å; P195-T200 PolarHBondContact O-OG1 3.01Å; P195-T200 VanDerWaalsContact O-OG1 3.06Å; P195-W227 HydrophobicContact CB-CD2 3.67Å; P195-W227 HydrophobicContact CB-CE3 3.62Å; P195-W227 HydrophobicContact CB-CG 4.29Å; P195-W227 HydrophobicContact CB-CH2 4.24Å; P195-W227 HydrophobicContact CB-CZ2 4.21Å; P195-W227 HydrophobicContact CB-CZ3 3.94Å; P195-W227 HydrophobicContact CG-CB 4.39Å; P195-W227 HydrophobicContact CG-CD2 3.92Å; P195-W227 HydrophobicContact CG-CE3 4.1Å; P195-W227 HydrophobicContact CG-CG 4.02Å
196N86.4Confident86.8Confident52 Ų5245 Ų4528%0.27825%0.245SC..Hα-helixtrans48.648.4-174.6-58.7-51.3000112.9G198 I199 T200 W227 Y556N196-G198 PolarHBondContact O-N 3.4Å; N196-I199 WeakPolarHBondContact O-CB 3.27Å; N196-I199 WeakPolarHBondContact O-CG1 3.4Å; N196-I199 PolarHBondContact O-N 3.01Å; N196-I199 VanDerWaalsContact O-N 3.16Å; N196-T200 HydrophobicContact CB-CG2 4.35Å; N196-T200 WeakPolarHBondContact ND2-CG2 3.26Å; N196-T200 PolarHBondContact ND2-OG1 3.47Å; N196-W227 WeakPolarHBondContact ND2-CH2 3.47Å; N196-W227 WeakPolarHBondContact ND2-CZ3 3.2Å; N196-Y556 HydrophobicContact CB-CD1 4.49Å; N196-Y556 HydrophobicContact CB-CD2 3.95Å; N196-Y556 HydrophobicContact CB-CE2 4.12Å; N196-Y556 HydrophobicContact CB-CG 4.17Å; N196-Y556 WeakPolarHBondContact ND2-CE2 3.25Å
197Q83.3Confident87Confident96 Ų9645.6 Ų45.645%0.44925%0.246SC..Hα-helixtrans5829-178.9-53171.3-13.600114S193 G194 P195 D560S193-Q197 PolarHBondContact OG-O 2.87Å; G194-Q197 PolarHBondContact O-N 3.23Å; P195-Q197 VanDerWaalsContact C-N 3.29Å; P195-Q197 PolarHBondContact O-N 3.29Å; Q197-D560 PolarHBondContact NE2-OD2 3.46Å; Q197-D560 PolarHBondContact OE1-OD1 2.98Å; Q197-D560 PolarHBondContact OE1-OD2 3.34Å
198G85.3Confident87.2Confident4 Ų442.6 Ų42.64%0.04123%0.227CC..Hα-helixtrans81.516.6179.200000114.5S193 G194 P195 N196 N201S193-G198 PolarHBondContact OG-N 3.33Å; G194-G198 PolarHBondContact O-N 3.32Å; G194-G198 VanDerWaalsContact O-N 3.14Å; P195-G198 PolarHBondContact O-N 3.07Å; N196-G198 PolarHBondContact O-N 3.4Å; G198-N201 PolarHBondContact O-ND2 3.26Å
199I88.1Confident87.7Confident2 Ų241.8 Ų41.81%0.0122%0.224CC..THydrogen-bonded Turntrans-79.5-41.7172.8-60.8168.6000110.5N196 N201 L210 Y556 I559 A565N196-I199 WeakPolarHBondContact O-CB 3.27Å; N196-I199 WeakPolarHBondContact O-CG1 3.4Å; N196-I199 PolarHBondContact O-N 3.01Å; N196-I199 VanDerWaalsContact O-N 3.16Å; I199-N201 PolarHBondContact O-N 2.93Å; I199-L210 HydrophobicContact CG2-CD2 4.03Å; I199-Y556 HydrophobicContact CB-CD1 4.16Å; I199-Y556 HydrophobicContact CB-CE1 4.41Å; I199-Y556 HydrophobicContact CD1-CD1 3.84Å; I199-Y556 HydrophobicContact CD1-CG 4.25Å; I199-Y556 HydrophobicContact CG2-CD1 3.79Å; I199-Y556 HydrophobicContact CG2-CE1 3.85Å; I199-I559 HydrophobicContact CD1-CB 3.85Å; I199-I559 HydrophobicContact CD1-CD1 4.05Å; I199-I559 HydrophobicContact CD1-CG2 3.93Å; I199-I559 HydrophobicContact CG1-CG2 4.22Å; I199-I559 HydrophobicContact CG2-CD1 4.04Å; I199-A565 HydrophobicContact CG1-CB 4.23Å
200T90.7Very high88.2Confident4 Ų441.4 Ų41.43%0.02522%0.221CC..SBendtrans-91.983-177.648.30000111.1P195 N196 T211 W227 Y556P195-T200 PolarHBondContact O-OG1 3.01Å; P195-T200 VanDerWaalsContact O-OG1 3.06Å; N196-T200 HydrophobicContact CB-CG2 4.35Å; N196-T200 WeakPolarHBondContact ND2-CG2 3.26Å; N196-T200 PolarHBondContact ND2-OG1 3.47Å; T200-T211 HydrophobicContact CG2-CG2 4.27Å; T200-W227 HydrophobicContact CG2-CZ3 4.45Å; T200-Y556 HydrophobicContact CG2-CE1 3.91Å; T200-Y556 HydrophobicContact CG2-CE2 4.5Å; T200-Y556 WeakPolarHBondContact CG2-OH 3.29Å
201N90.5Very high88.8Confident8 Ų832 Ų324%0.04318%0.177CC..  trans-138.3173.7174.466.446.5000112.4G198 I199 D203 F207 T211G198-N201 PolarHBondContact O-ND2 3.26Å; I199-N201 PolarHBondContact O-N 2.93Å; N201-D203 PolarHBondContact OD1-N 3.49Å; N201-F207 CarbonylContact O-C 3.52Å; N201-F207 WeakPolarHBondContact OD1-CB 3.41Å; N201-F207 WeakPolarHBondContact OD1-CG 3.16Å; N201-T211 WeakPolarHBondContact O-CG2 3.41Å
202F92.4Very high89.5Confident1 Ų126.1 Ų26.10%0.00415%0.15CC..SBendtrans-115.930.5174.2-68-83.4000110.8L144 F147 C148 L151 A208 T211 V212 V224 V228L144-F202 WeakPolarHBondContact CD1-O 3.39Å; F147-F202 HydrophobicContact CB-CB 4.01Å; F147-F202 HydrophobicContact CB-CD2 3.82Å; F147-F202 HydrophobicContact CB-CG 4.03Å; F147-F202 HydrophobicContact CD2-CD2 4.04Å; F147-F202 HydrophobicContact CD2-CE2 4.04Å; F147-F202 HydrophobicContact CD2-CG 4.35Å; F147-F202 HydrophobicContact CD2-CZ 4.36Å; F147-F202 HydrophobicContact CG-CD2 4.39Å; C148-F202 WeakPolarHBondContact CA-O 3.13Å; L151-F202 HydrophobicContact CD1-CD2 4.09Å; F202-A208 HydrophobicContact CD1-CB 3.81Å; F202-T211 WeakPolarHBondContact CE1-OG1 3.23Å; F202-V212 HydrophobicContact CE1-CG2 4.26Å; F202-V224 HydrophobicContact CE2-CG1 4.21Å; F202-V224 HydrophobicContact CZ-CG1 4.46Å; F202-V228 HydrophobicContact CE2-CG2 4.39Å
203D90.5Very high90Very high15 Ų1526.2 Ų26.28%0.0815%0.151CC..SBendtrans-79.4-33.1-171-74.1-4.7000112.5G149 N152 N201 H1043 H1044G149-D203 WeakPolarHBondContact CA-OD1 3.34Å; G149-D203 PolarHBondContact N-OD1 2.97Å; N152-D203 PolarHBondContact ND2-OD2 2.66Å; N152-D203 PolarHBondContact OD1-OD2 3.16Å; N201-D203 PolarHBondContact OD1-N 3.49Å; D203-H1043 CarbonylContact O-C 3.58Å; D203-H1043 WeakPolarHBondContact O-CA 3.49Å; D203-H1044 HydrophobicContact CB-CB 3.81Å; D203-H1044 PolarHBondContact O-N 3.07Å; D203-H1044 VanDerWaalsContact O-N 3.08Å
204N90.2Very high90.5Very high64 Ų6422.8 Ų22.834%0.34213%0.127SC..SBendtrans-131.7157.2176.4-60.7-43000109.6G206 F207 A208 H1043N204-G206 PolarHBondContact O-N 3.17Å; N204-F207 HydrophobicContact CB-CD2 4.08Å; N204-F207 PolarHBondContact O-N 3.38Å; N204-A208 WeakPolarHBondContact O-CB 3.46Å; N204-A208 PolarHBondContact O-N 3.07Å; N204-H1043 WeakPolarHBondContact OD1-CB 3.39Å
205I90.7Very high90.7Very high43 Ų4322.8 Ų22.822%0.22113%0.127CC..Hα-helixtrans-55.7-36177.2-173.860.5000113.2A140 V141 L144 A208 M209 A1040A140-I205 HydrophobicContact CB-CD1 3.78Å; V141-I205 HydrophobicContact CG2-CD1 3.82Å; L144-I205 HydrophobicContact CD2-CB 4.4Å; I205-A208 PolarHBondContact O-N 3.22Å; I205-M209 HydrophobicContact CD1-CG 4.18Å; I205-M209 HydrophobicContact CG1-CG 4.3Å; I205-M209 HydrophobicContact CG1-SD 4.21Å; I205-M209 WeakPolarHBondContact O-CB 3.3Å; I205-M209 VanDerWaalsContact O-CG 3.25Å; I205-M209 WeakPolarHBondContact O-CG 3.49Å; I205-M209 PolarHBondContact O-N 3.27Å; I205-A1040 HydrophobicContact CB-CB 4.26Å; I205-A1040 HydrophobicContact CG1-CB 4.06Å; I205-A1040 HydrophobicContact CG2-CB 4.38Å; I205-A1040 WeakPolarHBondContact CG2-O 3.48Å
206G89.7Confident90.9Very high47 Ų4723.4 Ų23.449%0.48513%0.13SC..Hα-helixtrans-64.5-47.5179.200000113.1N204 M209 L210N204-G206 PolarHBondContact O-N 3.17Å; G206-M209 PolarHBondContact O-N 3.27Å; G206-L210 PolarHBondContact O-N 2.98Å; G206-L210 VanDerWaalsContact O-N 3.08Å
207F91.9Very high91.1Very high28 Ų2822 Ų2212%0.12313%0.125CC..Hα-helixtrans-67.1-41.2175.1-68.8-66.1000111.4N201 N204 M209 L210 T211 A565 I570N201-F207 CarbonylContact O-C 3.52Å; N201-F207 WeakPolarHBondContact OD1-CB 3.41Å; N201-F207 WeakPolarHBondContact OD1-CG 3.16Å; N204-F207 HydrophobicContact CB-CD2 4.08Å; N204-F207 PolarHBondContact O-N 3.38Å; F207-M209 VanDerWaalsContact C-N 3.3Å; F207-M209 PolarHBondContact O-N 3.39Å; F207-L210 WeakPolarHBondContact O-CB 3.46Å; F207-L210 PolarHBondContact O-N 3.3Å; F207-L210 VanDerWaalsContact O-N 3.11Å; F207-T211 WeakPolarHBondContact O-CG2 3.41Å; F207-T211 PolarHBondContact O-N 3.43Å; F207-T211 PolarHBondContact O-OG1 2.89Å; F207-A565 HydrophobicContact CE1-CB 3.98Å; F207-A565 HydrophobicContact CZ-CB 3.97Å; F207-I570 HydrophobicContact CD1-CD1 3.92Å; F207-I570 HydrophobicContact CE1-CD1 3.2Å; F207-I570 HydrophobicContact CE1-CG1 4.49Å; F207-I570 HydrophobicContact CZ-CD1 3.59Å
208A93.4Very high91.4Very high0 Ų019.5 Ų19.50%011%0.113CC..Hα-helixtrans-60-38.9174.900000112.3A140 F202 N204 I205 T211 V212A140-A208 HydrophobicContact CB-CB 4.01Å; F202-A208 HydrophobicContact CD1-CB 3.81Å; N204-A208 WeakPolarHBondContact O-CB 3.46Å; N204-A208 PolarHBondContact O-N 3.07Å; I205-A208 PolarHBondContact O-N 3.22Å; A208-T211 WeakPolarHBondContact CA-OG1 3.32Å; A208-T211 PolarHBondContact O-OG1 3.46Å; A208-T211 VanDerWaalsContact O-OG1 3.05Å; A208-V212 VanDerWaalsContact O-CB 3.27Å; A208-V212 WeakPolarHBondContact O-CB 3.47Å; A208-V212 WeakPolarHBondContact O-CG2 3.23Å; A208-V212 PolarHBondContact O-N 3.34Å
209M92.9Very high91.6Very high61 Ų6120.2 Ų20.230%0.312%0.115SC..Hα-helixtrans-67.4-38.9174.5-76.5-178.768.800112L133 I136 I137 A140 I205 G206 F207 F213L133-M209 HydrophobicContact CD1-CE 4.33Å; I136-M209 HydrophobicContact CG2-CB 4.28Å; I136-M209 HydrophobicContact CG2-CE 4.14Å; I136-M209 HydrophobicContact CG2-CG 4.17Å; I137-M209 HydrophobicContact CG1-CE 4.3Å; A140-M209 HydrophobicContact CB-CB 4.38Å; A140-M209 HydrophobicContact CB-CG 3.64Å; I205-M209 HydrophobicContact CD1-CG 4.18Å; I205-M209 HydrophobicContact CG1-CG 4.3Å; I205-M209 HydrophobicContact CG1-SD 4.21Å; I205-M209 WeakPolarHBondContact O-CB 3.3Å; I205-M209 VanDerWaalsContact O-CG 3.25Å; I205-M209 WeakPolarHBondContact O-CG 3.49Å; I205-M209 PolarHBondContact O-N 3.27Å; G206-M209 PolarHBondContact O-N 3.27Å; F207-M209 VanDerWaalsContact C-N 3.3Å; F207-M209 PolarHBondContact O-N 3.39Å; M209-F213 VanDerWaalsContact O-CB 3.29Å; M209-F213 WeakPolarHBondContact O-CB 3.35Å; M209-F213 PolarHBondContact O-N 3.13Å
210L92.9Very high91.6Very high15 Ų1520.4 Ų20.48%0.07912%0.118CC..Hα-helixtrans-66.2-46.8177.3-176.263.3000111.4I199 G206 F207 F213 T214 M555 C573 I577I199-L210 HydrophobicContact CG2-CD2 4.03Å; G206-L210 PolarHBondContact O-N 2.98Å; G206-L210 VanDerWaalsContact O-N 3.08Å; F207-L210 WeakPolarHBondContact O-CB 3.46Å; F207-L210 PolarHBondContact O-N 3.3Å; F207-L210 VanDerWaalsContact O-N 3.11Å; L210-F213 WeakPolarHBondContact O-CB 3.48Å; L210-F213 PolarHBondContact O-N 3.48Å; L210-T214 WeakPolarHBondContact O-CG2 3.37Å; L210-T214 PolarHBondContact O-N 2.93Å; L210-M555 HydrophobicContact CD1-CE 4.15Å; L210-M555 HydrophobicContact CD1-SD 4.04Å; L210-M555 HydrophobicContact CD2-CE 4.24Å; L210-M555 HydrophobicContact CG-CE 4.35Å; L210-C573 HydrophobicContact CD1-CB 4.48Å; L210-I577 HydrophobicContact CD1-CD1 3.92Å
211T93.5Very high91.8Very high2 Ų220.3 Ų20.31%0.01212%0.117CC..Hα-helixtrans-66.3-36.6177.854.50000112.5T200 N201 F202 F207 A208 T214 C215T200-T211 HydrophobicContact CG2-CG2 4.27Å; N201-T211 WeakPolarHBondContact O-CG2 3.41Å; F202-T211 WeakPolarHBondContact CE1-OG1 3.23Å; F207-T211 WeakPolarHBondContact O-CG2 3.41Å; F207-T211 PolarHBondContact O-N 3.43Å; F207-T211 PolarHBondContact O-OG1 2.89Å; A208-T211 WeakPolarHBondContact CA-OG1 3.32Å; A208-T211 PolarHBondContact O-OG1 3.46Å; A208-T211 VanDerWaalsContact O-OG1 3.05Å; T211-T214 WeakPolarHBondContact CA-OG1 3.45Å; T211-T214 PolarHBondContact O-N 3.36Å; T211-T214 PolarHBondContact O-OG1 3.43Å; T211-C215 PolarHBondContact O-N 2.96Å; T211-C215 PolarHBondContact O-SG 3.02Å
212V94.7Very high91.9Very high1 Ų120 Ų201%0.00612%0.115CC..Hα-helixtrans-66.8-39.8172.7168.70000111I136 A140 F202 A208 C215 I216 Y240 L244I136-V212 HydrophobicContact CB-CG1 4.43Å; I136-V212 HydrophobicContact CG1-CG1 4.4Å; I136-V212 HydrophobicContact CG2-CG1 4.21Å; A140-V212 HydrophobicContact CB-CG2 4.31Å; F202-V212 HydrophobicContact CE1-CG2 4.26Å; A208-V212 VanDerWaalsContact O-CB 3.27Å; A208-V212 WeakPolarHBondContact O-CB 3.47Å; A208-V212 WeakPolarHBondContact O-CG2 3.23Å; A208-V212 PolarHBondContact O-N 3.34Å; V212-C215 PolarHBondContact O-N 3.04Å; V212-I216 HydrophobicContact CG1-CD1 3.86Å; V212-I216 HydrophobicContact CG1-CG1 4.44Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.46Å; V212-I216 PolarHBondContact O-N 3.32Å; V212-Y240 WeakPolarHBondContact CG2-OH 3.46Å; V212-L244 HydrophobicContact CG1-CD1 3.98Å; V212-L244 HydrophobicContact CG1-CD2 4.36Å
213F93.4Very high91.8Very high27 Ų2722.9 Ų22.912%0.11813%0.131CC..Hα-helixtrans-63.8-42.6175.7177.7-99.7000112.1I136 M209 L210 C215 I216 S217 W551 I577 F580 I581I136-F213 HydrophobicContact CD1-CD2 4.28Å; M209-F213 VanDerWaalsContact O-CB 3.29Å; M209-F213 WeakPolarHBondContact O-CB 3.35Å; M209-F213 PolarHBondContact O-N 3.13Å; L210-F213 WeakPolarHBondContact O-CB 3.48Å; L210-F213 PolarHBondContact O-N 3.48Å; F213-C215 VanDerWaalsContact C-N 3.34Å; F213-C215 PolarHBondContact O-N 3.2Å; F213-I216 PolarHBondContact O-N 2.92Å; F213-S217 PolarHBondContact O-N 3.13Å; F213-S217 VanDerWaalsContact O-N 3.09Å; F213-W551 AromaticContact CD1-CH2 3.88Å; F213-W551 HydrophobicContact CD1-CH2 3.88Å; F213-W551 HydrophobicContact CD1-CZ2 4.43Å; F213-W551 AromaticContact CE1-CH2 3.65Å; F213-W551 HydrophobicContact CE1-CH2 3.65Å; F213-W551 HydrophobicContact CE1-CZ2 4.15Å; F213-W551 HydrophobicContact CE1-CZ3 4.46Å; F213-I577 HydrophobicContact CD1-CG1 4.16Å; F213-I577 HydrophobicContact CE1-CB 4.32Å; F213-I577 HydrophobicContact CE1-CG1 3.85Å; F213-I577 HydrophobicContact CE1-CG2 4.07Å; F213-I577 HydrophobicContact CE2-CG2 4.48Å; F213-I577 HydrophobicContact CZ-CG2 3.94Å; F213-F580 HydrophobicContact CZ-CD1 4.08Å; F213-I581 HydrophobicContact CE2-CD1 3.95Å; F213-I581 HydrophobicContact CE2-CG1 4.2Å; F213-I581 HydrophobicContact CZ-CD1 4.04Å; F213-I581 HydrophobicContact CZ-CG1 4Å
214T93Very high92Very high1 Ų122.3 Ų22.31%0.00613%0.128CC..Hα-helixtrans-61-44.4174.159.10000110.7L210 T211 I216 S217 W551 M555L210-T214 WeakPolarHBondContact O-CG2 3.37Å; L210-T214 PolarHBondContact O-N 2.93Å; T211-T214 WeakPolarHBondContact CA-OG1 3.45Å; T211-T214 PolarHBondContact O-N 3.36Å; T211-T214 PolarHBondContact O-OG1 3.43Å; T214-I216 PolarHBondContact O-N 3.43Å; T214-S217 WeakPolarHBondContact O-CB 3.39Å; T214-S217 PolarHBondContact O-N 3.13Å; T214-S217 VanDerWaalsContact O-N 3.15Å; T214-S217 PolarHBondContact O-OG 2.66Å; T214-W551 HydrophobicContact CG2-CH2 3.76Å; T214-W551 HydrophobicContact CG2-CZ2 4.02Å; T214-M555 HydrophobicContact CG2-CE 4.2Å
215C93.4Very high92.2Very high1 Ų119.5 Ų19.51%0.00711%0.113CC..Hα-helixtrans-62.2-39.2177-65.60000113.4T211 V212 F213 S217 Q218 W221 L244T211-C215 PolarHBondContact O-N 2.96Å; T211-C215 PolarHBondContact O-SG 3.02Å; V212-C215 PolarHBondContact O-N 3.04Å; F213-C215 VanDerWaalsContact C-N 3.34Å; F213-C215 PolarHBondContact O-N 3.2Å; C215-S217 VanDerWaalsContact C-N 3.27Å; C215-S217 PolarHBondContact O-N 2.66Å; C215-Q218 PolarHBondContact O-N 3.37Å; C215-W221 HydrophobicContact CB-CB 3.99Å; C215-L244 HydrophobicContact CB-CD2 3.58Å; C215-L244 HydrophobicContact CB-CG 4.45Å
216I92.7Very high92.3Very high19 Ų1918.3 Ų18.310%0.09711%0.105CC..Hα-helixtrans-66.6-31.1177.7-73.6171.8000111.8I136 V212 F213 T214 Q218 L244 G248 S249I136-I216 HydrophobicContact CD1-CD1 4.37Å; I136-I216 HydrophobicContact CG1-CD1 3.53Å; V212-I216 HydrophobicContact CG1-CD1 3.86Å; V212-I216 HydrophobicContact CG1-CG1 4.44Å; V212-I216 VanDerWaalsContact O-CG1 3.31Å; V212-I216 WeakPolarHBondContact O-CG1 3.46Å; V212-I216 PolarHBondContact O-N 3.32Å; F213-I216 PolarHBondContact O-N 2.92Å; T214-I216 PolarHBondContact O-N 3.43Å; I216-Q218 PolarHBondContact O-N 3.1Å; I216-Q218 VanDerWaalsContact O-N 3.14Å; I216-L244 HydrophobicContact CD1-CD1 3.98Å; I216-L244 HydrophobicContact CG1-CD1 3.72Å; I216-L244 HydrophobicContact CG1-CG 4.27Å; I216-G248 WeakPolarHBondContact CG2-O 3.31Å; I216-S249 WeakPolarHBondContact O-CB 3.44Å; I216-S249 PolarHBondContact O-OG 2.89Å
217S90.8Very high92.5Very high24 Ų2418.3 Ų18.317%0.1689%0.091CC..THydrogen-bonded Turntrans-67.5-6.3175.8780000114.1F213 T214 C215 E219 W551F213-S217 PolarHBondContact O-N 3.13Å; F213-S217 VanDerWaalsContact O-N 3.09Å; T214-S217 WeakPolarHBondContact O-CB 3.39Å; T214-S217 PolarHBondContact O-N 3.13Å; T214-S217 VanDerWaalsContact O-N 3.15Å; T214-S217 PolarHBondContact O-OG 2.66Å; C215-S217 VanDerWaalsContact C-N 3.27Å; C215-S217 PolarHBondContact O-N 2.66Å; S217-E219 PolarHBondContact O-N 2.64Å; S217-W551 WeakPolarHBondContact OG-CZ2 3.38Å; S217-W551 PolarHBondContact OG-NE1 2.8Å
218Q89.3Confident92.5Very high42 Ų4217 Ų1720%0.1969%0.085CC..THydrogen-bonded Turntrans68.215.9-176-52.3-175.2-54.700114.7C215 I216 S249 F250C215-Q218 PolarHBondContact O-N 3.37Å; I216-Q218 PolarHBondContact O-N 3.1Å; I216-Q218 VanDerWaalsContact O-N 3.14Å; Q218-S249 WeakPolarHBondContact CG-OG 3.42Å; Q218-S249 PolarHBondContact NE2-OG 3.34Å; Q218-F250 VanDerWaalsContact NE2-CE1 3.35Å
219E90.1Very high92.4Very high19 Ų1917.4 Ų17.49%0.0899%0.087CC..SBendtrans-116.1128.1-179.8-178.461.9-177.600112.1S217 W221 D550S217-E219 PolarHBondContact O-N 2.64Å; E219-W221 PolarHBondContact O-N 3.23Å; E219-D550 VanDerWaalsContact OE1-CA 3.32Å; E219-D550 WeakPolarHBondContact OE1-CA 3.3Å; E219-D550 PolarHBondContact OE1-N 2.92Å
220G88.1Confident92.4Very high7 Ų715.2 Ų15.27%0.0728%0.077CC..SBendtrans60.224.4-179.200000114.7V224 E1206G220-V224 WeakPolarHBondContact O-CG2 3.45Å; G220-E1206 WeakPolarHBondContact CA-OE1 3.41Å
221W93.5Very high92.2Very high2 Ų215 Ų151%0.0088%0.078CC..Hα-helixtrans-79.9-30-177.773.9-91.6000112C215 E219 M225 F241 V245 F1200 R1201 T1204 E1206C215-W221 HydrophobicContact CB-CB 3.99Å; E219-W221 PolarHBondContact O-N 3.23Å; W221-M225 HydrophobicContact CZ3-CE 4.42Å; W221-M225 HydrophobicContact CZ3-SD 4.21Å; W221-M225 PolarHBondContact O-N 3.11Å; W221-M225 VanDerWaalsContact O-N 3.16Å; W221-F241 HydrophobicContact CE3-CB 4.35Å; W221-F241 HydrophobicContact CZ3-CB 4.45Å; W221-V245 HydrophobicContact CD2-CG2 3.76Å; W221-V245 HydrophobicContact CE3-CG2 3.99Å; W221-V245 HydrophobicContact CG-CG2 4.03Å; W221-F1200 AromaticContact CH2-CD1 3.61Å; W221-F1200 HydrophobicContact CH2-CD1 3.61Å; W221-F1200 AromaticContact CH2-CE1 3.75Å; W221-F1200 HydrophobicContact CH2-CE1 3.75Å; W221-F1200 AromaticContact CZ2-CD1 3.87Å; W221-F1200 HydrophobicContact CZ2-CD1 3.87Å; W221-F1200 AromaticContact CZ2-CE1 3.9Å; W221-F1200 HydrophobicContact CZ2-CE1 3.9Å; W221-R1201 HydrophobicContact CZ2-CB 4.38Å; W221-T1204 HydrophobicContact CZ2-CG2 4.19Å; W221-T1204 PolarHBondContact NE1-OG1 2.92Å; W221-E1206 PolarHBondContact N-OE1 3.17Å; W221-E1206 PolarHBondContact NE1-OE2 3.14Å
222S92.7Very high91.9Very high1 Ų118.1 Ų18.11%0.0079%0.093CC..Hα-helixtrans-69.5-36.8176.270.80000111.5V224 M225 Y226 R1201 E1206S222-V224 PolarHBondContact O-N 3Å; S222-M225 WeakPolarHBondContact O-CB 3.4Å; S222-M225 PolarHBondContact O-N 3.35Å; S222-M225 VanDerWaalsContact O-N 3.15Å; S222-Y226 WeakPolarHBondContact O-CD1 3.28Å; S222-Y226 WeakPolarHBondContact O-CD2 3.48Å; S222-Y226 PolarHBondContact O-N 2.88Å; S222-R1201 VanDerWaalsContact OG-CZ 3.26Å; S222-R1201 PolarHBondContact OG-NE 3.46Å; S222-E1206 VanDerWaalsContact CB-CD 3.49Å; S222-E1206 VanDerWaalsContact CB-OE1 3.29Å; S222-E1206 WeakPolarHBondContact CB-OE1 3.42Å; S222-E1206 WeakPolarHBondContact CB-OE2 3.34Å; S222-E1206 PolarHBondContact N-OE1 2.92Å; S222-E1206 PolarHBondContact N-OE2 3.39Å; S222-E1206 PolarHBondContact OG-OE1 3.37Å; S222-E1206 PolarHBondContact OG-OE2 2.84Å; S222-E1206 VanDerWaalsContact OG-OE2 3.09Å
223D91.3Very high91.6Very high62 Ų6218.2 Ų18.233%0.3329%0.094SC..Hα-helixtrans-62.1-45.3176.8-61.3-30.2000111.3M225 Y226 W227D223-M225 VanDerWaalsContact C-N 3.28Å; D223-M225 PolarHBondContact O-N 2.86Å; D223-Y226 PolarHBondContact O-N 3.38Å; D223-Y226 VanDerWaalsContact O-N 3.13Å; D223-W227 HydrophobicContact CB-CH2 3.85Å; D223-W227 HydrophobicContact CB-CZ2 3.98Å; D223-W227 HydrophobicContact CB-CZ3 4.26Å; D223-W227 VanDerWaalsContact O-CD2 3.3Å; D223-W227 PolarHBondContact O-N 2.92Å
224V93.5Very high91.2Very high3 Ų319 Ų192%0.01810%0.102CC..Hα-helixtrans-61.1-39.9175.2-178.60000111F202 G220 S222 W227 V228 F241F202-V224 HydrophobicContact CE2-CG1 4.21Å; F202-V224 HydrophobicContact CZ-CG1 4.46Å; G220-V224 WeakPolarHBondContact O-CG2 3.45Å; S222-V224 PolarHBondContact O-N 3Å; V224-W227 HydrophobicContact CB-CE3 4.47Å; V224-W227 HydrophobicContact CG2-CE3 4.21Å; V224-W227 HydrophobicContact CG2-CZ3 3.96Å; V224-V228 WeakPolarHBondContact O-CG2 3.37Å; V224-V228 PolarHBondContact O-N 3.49Å; V224-V228 VanDerWaalsContact O-N 3.14Å; V224-F241 HydrophobicContact CB-CE1 4.24Å; V224-F241 HydrophobicContact CG1-CE1 3.68Å; V224-F241 HydrophobicContact CG1-CZ 3.81Å
225M94Very high90.7Very high4 Ų424.1 Ų24.12%0.0213%0.125CC..Hα-helixtrans-64-42.9174.8-179.3-173.769.700111.7W221 S222 D223 V228 N229 W238 F241W221-M225 HydrophobicContact CZ3-CE 4.42Å; W221-M225 HydrophobicContact CZ3-SD 4.21Å; W221-M225 PolarHBondContact O-N 3.11Å; W221-M225 VanDerWaalsContact O-N 3.16Å; S222-M225 WeakPolarHBondContact O-CB 3.4Å; S222-M225 PolarHBondContact O-N 3.35Å; S222-M225 VanDerWaalsContact O-N 3.15Å; D223-M225 VanDerWaalsContact C-N 3.28Å; D223-M225 PolarHBondContact O-N 2.86Å; M225-V228 PolarHBondContact O-N 3.46Å; M225-N229 WeakPolarHBondContact O-CB 3.28Å; M225-N229 PolarHBondContact O-N 2.98Å; M225-N229 PolarHBondContact O-ND2 3.39Å; M225-W238 HydrophobicContact SD-CB 4.19Å; M225-F241 HydrophobicContact CB-CB 4.29Å; M225-F241 HydrophobicContact CB-CD1 4.35Å; M225-F241 HydrophobicContact CB-CD2 3.66Å; M225-F241 HydrophobicContact CB-CE2 4.06Å; M225-F241 HydrophobicContact CB-CG 3.84Å; M225-F241 HydrophobicContact CG-CB 4.3Å; M225-F241 HydrophobicContact CG-CD2 3.62Å; M225-F241 HydrophobicContact CG-CE2 4.24Å; M225-F241 HydrophobicContact CG-CG 4.1Å; M225-F241 HydrophobicContact SD-CB 4.29Å
226Y93.2Very high90.3Very high18 Ų1831.5 Ų31.57%0.07115%0.153CC..Hα-helixtrans-63.8-43.8178.8-61.6-23.9000111.8S222 D223 V228 N229 D230 H1184 H1186 N1187 R1201S222-Y226 WeakPolarHBondContact O-CD1 3.28Å; S222-Y226 WeakPolarHBondContact O-CD2 3.48Å; S222-Y226 PolarHBondContact O-N 2.88Å; D223-Y226 PolarHBondContact O-N 3.38Å; D223-Y226 VanDerWaalsContact O-N 3.13Å; Y226-V228 VanDerWaalsContact C-N 3.32Å; Y226-V228 PolarHBondContact O-N 2.98Å; Y226-N229 WeakPolarHBondContact O-CB 3.49Å; Y226-N229 PolarHBondContact O-N 3.46Å; Y226-N229 VanDerWaalsContact O-N 3.11Å; Y226-D230 PolarHBondContact O-N 3.48Å; Y226-H1184 AromaticContact CD2-CE1 3.86Å; Y226-H1184 AromaticContact CE2-CE1 3.81Å; Y226-H1184 AromaticContact CE2-NE2 3.9Å; Y226-H1186 HydrophobicContact CD1-CB 3.33Å; Y226-H1186 AromaticContact CD1-CG 3.79Å; Y226-H1186 HydrophobicContact CE1-CB 3.45Å; Y226-H1186 VanDerWaalsContact CE1-CB 3.45Å; Y226-H1186 HydrophobicContact CG-CB 3.98Å; Y226-H1186 AromaticContact CG-CD2 3.99Å; Y226-N1187 WeakPolarHBondContact OH-CB 3.42Å; Y226-R1201 PolarHBondContact OH-NH1 3.24Å; Y226-R1201 VanDerWaalsContact OH-NH1 3.12Å
227W93.5Very high90.1Very high48 Ų4830.8 Ų30.818%0.18215%0.15CC..Hα-helixtrans-60-39.8174.5-66.1-29.7000113L151 P170 P195 N196 T200 D223 V224 D230 A231L151-W227 HydrophobicContact CD2-CB 4.1Å; P170-W227 HydrophobicContact CG-CB 3.91Å; P170-W227 HydrophobicContact CG-CG 4.27Å; P195-W227 HydrophobicContact CB-CD2 3.67Å; P195-W227 HydrophobicContact CB-CE3 3.62Å; P195-W227 HydrophobicContact CB-CG 4.29Å; P195-W227 HydrophobicContact CB-CH2 4.24Å; P195-W227 HydrophobicContact CB-CZ2 4.21Å; P195-W227 HydrophobicContact CB-CZ3 3.94Å; P195-W227 HydrophobicContact CG-CB 4.39Å; P195-W227 HydrophobicContact CG-CD2 3.92Å; P195-W227 HydrophobicContact CG-CE3 4.1Å; P195-W227 HydrophobicContact CG-CG 4.02Å; N196-W227 WeakPolarHBondContact ND2-CH2 3.47Å; N196-W227 WeakPolarHBondContact ND2-CZ3 3.2Å; T200-W227 HydrophobicContact CG2-CZ3 4.45Å; D223-W227 HydrophobicContact CB-CH2 3.85Å; D223-W227 HydrophobicContact CB-CZ2 3.98Å; D223-W227 HydrophobicContact CB-CZ3 4.26Å; D223-W227 VanDerWaalsContact O-CD2 3.3Å; D223-W227 PolarHBondContact O-N 2.92Å; V224-W227 HydrophobicContact CB-CE3 4.47Å; V224-W227 HydrophobicContact CG2-CE3 4.21Å; V224-W227 HydrophobicContact CG2-CZ3 3.96Å; W227-D230 PolarHBondContact O-N 3.02Å; W227-A231 PolarHBondContact O-N 3.24Å; W227-A231 VanDerWaalsContact O-N 3.16Å
228V93Very high90.1Very high1 Ų133 Ų331%0.00616%0.155CC..Hα-helixtrans-69.4-37.8175.1175.10000111.5F147 L151 F202 V224 M225 Y226 D230 A231 I232 P237 F241F147-V228 HydrophobicContact CD1-CG1 3.81Å; F147-V228 HydrophobicContact CE1-CG1 3.6Å; F147-V228 HydrophobicContact CE2-CG1 4.35Å; F147-V228 HydrophobicContact CG-CG1 4.26Å; F147-V228 HydrophobicContact CZ-CG1 3.9Å; L151-V228 HydrophobicContact CD2-CG2 4.22Å; F202-V228 HydrophobicContact CE2-CG2 4.39Å; V224-V228 WeakPolarHBondContact O-CG2 3.37Å; V224-V228 PolarHBondContact O-N 3.49Å; V224-V228 VanDerWaalsContact O-N 3.14Å; M225-V228 PolarHBondContact O-N 3.46Å; Y226-V228 VanDerWaalsContact C-N 3.32Å; Y226-V228 PolarHBondContact O-N 2.98Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 PolarHBondContact O-N 2.91Å; V228-A231 PolarHBondContact O-N 3.4Å; V228-I232 HydrophobicContact CG1-CD1 4.17Å; V228-I232 PolarHBondContact O-N 2.93Å; V228-P237 HydrophobicContact CG1-CB 3.74Å; V228-P237 HydrophobicContact CG1-CG 3.85Å; V228-F241 HydrophobicContact CB-CE2 4.11Å; V228-F241 HydrophobicContact CB-CZ 4.43Å; V228-F241 HydrophobicContact CG1-CE2 4.34Å; V228-F241 HydrophobicContact CG2-CE2 4.14Å; V228-F241 HydrophobicContact CG2-CZ 3.97Å
229N91.7Very high90.1Very high8 Ų834.8 Ų34.84%0.04317%0.165CC..Hα-helixtrans-62.2-39.8174.4-72.4-18.6000111.6M225 Y226 G233 T234 P237M225-N229 WeakPolarHBondContact O-CB 3.28Å; M225-N229 PolarHBondContact O-N 2.98Å; M225-N229 PolarHBondContact O-ND2 3.39Å; Y226-N229 WeakPolarHBondContact O-CB 3.49Å; Y226-N229 PolarHBondContact O-N 3.46Å; Y226-N229 VanDerWaalsContact O-N 3.11Å; N229-G233 CarbonylContact O-C 3.46Å; N229-G233 WeakPolarHBondContact O-CA 3.37Å; N229-G233 PolarHBondContact O-N 2.96Å; N229-T234 HydrophobicContact CB-CG2 3.98Å; N229-P237 WeakPolarHBondContact OD1-CB 3.48Å
230D91.3Very high90.2Very high15 Ų1534.5 Ų34.58%0.0816%0.163CC..Hα-helixtrans-68.4-33.9178-72.8-34.2000112.7P170 G172 A177 R178 Y226 W227 V228 H1186P170-D230 WeakPolarHBondContact O-CB 3.42Å; G172-D230 PolarHBondContact N-O 3.3Å; A177-D230 WeakPolarHBondContact CB-O 3.41Å; R178-D230 HydrophobicContact CB-CB 3.97Å; R178-D230 PolarHBondContact N-O 3.37Å; Y226-D230 PolarHBondContact O-N 3.48Å; W227-D230 PolarHBondContact O-N 3.02Å; V228-D230 VanDerWaalsContact C-N 3.32Å; V228-D230 PolarHBondContact O-N 2.91Å; D230-H1186 VanDerWaalsContact CG-NE2 3.27Å; D230-H1186 IonicContact OD1-CD2 3.55Å; D230-H1186 IonicContact OD1-CE1 2.59Å; D230-H1186 PolarHBondContact OD1-CE1 3.27Å; D230-H1186 IonicContact OD1-NE2 2.92Å; D230-H1186 PolarHBondContact OD1-NE2 3.3Å; D230-H1186 IonicContact OD2-NE2 3.19Å; D230-H1186 PolarHBondContact OD2-NE2 2.73Å
231A90.1Very high90.5Very high11 Ų1134.2 Ų34.29%0.09116%0.16CC..Hα-helixtrans-78-36.3179.100000114.3K150 L151 P170 G172 W227 V228K150-A231 HydrophobicContact CB-CB 4.39Å; L151-A231 HydrophobicContact CD2-CB 4.26Å; P170-A231 HydrophobicContact CB-CB 4.06Å; G172-A231 VanDerWaalsContact CA-O 3.32Å; G172-A231 WeakPolarHBondContact CA-O 3.39Å; W227-A231 PolarHBondContact O-N 3.24Å; W227-A231 VanDerWaalsContact O-N 3.16Å; V228-A231 PolarHBondContact O-N 3.4Å
232I87.1Confident90.4Very high66 Ų6635.4 Ų35.434%0.33817%0.167SC..Hα-helixtrans-117.5-35.3-170.2-59.5176000112.8F147 K150 V228F147-I232 HydrophobicContact CD1-CD1 3.39Å; F147-I232 HydrophobicContact CE1-CD1 3.8Å; K150-I232 HydrophobicContact CB-CD1 4.41Å; K150-I232 HydrophobicContact CB-CG1 4.45Å; K150-I232 HydrophobicContact CG-CD1 4.14Å; K150-I232 HydrophobicContact CG-CG1 4.39Å; V228-I232 HydrophobicContact CG1-CD1 4.17Å; V228-I232 PolarHBondContact O-N 2.93Å
233G87.3Confident90.3Very high3 Ų337.4 Ų37.43%0.03118%0.181CC..  trans122.1157.7-171.600000112.8S176 N229 E235 P237S176-G233 VanDerWaalsContact OG-CA 3.29Å; S176-G233 WeakPolarHBondContact OG-CA 3.16Å; N229-G233 CarbonylContact O-C 3.46Å; N229-G233 WeakPolarHBondContact O-CA 3.37Å; N229-G233 PolarHBondContact O-N 2.96Å; G233-E235 PolarHBondContact O-N 3.42Å; G233-P237 WeakPolarHBondContact O-CD 3.49Å; G233-P237 VanDerWaalsContact O-CG 3.28Å; G233-P237 WeakPolarHBondContact O-CG 3.42Å
234T85.2Confident90.4Very high45 Ų4534.5 Ų34.528%0.27617%0.166SC..SBendtrans-81.4-10.4-169.1540000115.4S176 N229S176-T234 PolarHBondContact OG-N 2.8Å; N229-T234 HydrophobicContact CB-CG2 3.98Å
235E82.8Confident90.3Very high107 Ų10734.4 Ų34.450%0.517%0.165SC..SBendtrans-72.9-36.6-164.1-65.3175-164.600114.9G233 W238G233-E235 PolarHBondContact O-N 3.42Å; E235-W238 VanDerWaalsContact O-CD1 3.26Å; E235-W238 PolarHBondContact O-NE1 2.88Å
236W84.4Confident90Very high156 Ų15637 Ų3759%0.59118%0.181SC*.SBendtrans-117.8-34-169.7-61101.6000115.8W238 L239W236-W238 VanDerWaalsContact C-N 3.28Å; W236-W238 PolarHBondContact O-N 3.08Å; W236-L239 HydrophobicContact CE3-CD1 3.92Å; W236-L239 HydrophobicContact CZ3-CD1 4.24Å; W236-L239 PolarHBondContact O-N 3.13Å; W236-L239 VanDerWaalsContact O-N 3.16Å
237P89.5Confident89.6Confident5 Ų540.2 Ų40.23%0.03220%0.199CC..Hα-helixtrans-60.1-33.2-172.8-27.235.5000114.8V228 N229 G233 L239 Y240 F241V228-P237 HydrophobicContact CG1-CB 3.74Å; V228-P237 HydrophobicContact CG1-CG 3.85Å; N229-P237 WeakPolarHBondContact OD1-CB 3.48Å; G233-P237 WeakPolarHBondContact O-CD 3.49Å; G233-P237 VanDerWaalsContact O-CG 3.28Å; G233-P237 WeakPolarHBondContact O-CG 3.42Å; P237-L239 PolarHBondContact O-N 2.81Å; P237-L239 VanDerWaalsContact O-N 3.14Å; P237-Y240 WeakPolarHBondContact O-CB 3.43Å; P237-Y240 PolarHBondContact O-N 3.34Å; P237-F241 HydrophobicContact CB-CD2 4.48Å; P237-F241 HydrophobicContact CB-CE2 4.37Å; P237-F241 VanDerWaalsContact O-CD2 3.3Å; P237-F241 WeakPolarHBondContact O-CD2 3.39Å; P237-F241 PolarHBondContact O-N 3.05Å
238W89.8Confident89Confident71 Ų7138 Ų3827%0.26919%0.191SC..Hα-helixtrans-56.2-31.3178.671.7-88000113.2M225 E235 W236 Y240 F241 V242 Y1193M225-W238 HydrophobicContact SD-CB 4.19Å; E235-W238 VanDerWaalsContact O-CD1 3.26Å; E235-W238 PolarHBondContact O-NE1 2.88Å; W236-W238 VanDerWaalsContact C-N 3.28Å; W236-W238 PolarHBondContact O-N 3.08Å; W238-Y240 VanDerWaalsContact C-N 3.29Å; W238-Y240 PolarHBondContact O-N 2.91Å; W238-F241 PolarHBondContact O-N 3.48Å; W238-V242 HydrophobicContact CE3-CB 4.47Å; W238-V242 HydrophobicContact CE3-CG2 4.18Å; W238-V242 VanDerWaalsContact O-CB 3.27Å; W238-V242 WeakPolarHBondContact O-CB 3.38Å; W238-V242 VanDerWaalsContact O-CG2 3.29Å; W238-V242 WeakPolarHBondContact O-CG2 3.27Å; W238-V242 PolarHBondContact O-N 2.76Å; W238-Y1193 VanDerWaalsContact CB-OH 3.32Å; W238-Y1193 WeakPolarHBondContact CB-OH 3.27Å; W238-Y1193 AromaticContact CD2-CE2 3.93Å; W238-Y1193 HydrophobicContact CD2-CE2 3.93Å; W238-Y1193 AromaticContact CE2-CE2 3.96Å; W238-Y1193 HydrophobicContact CE3-CE2 4.25Å; W238-Y1193 HydrophobicContact CG-CE2 4.3Å; W238-Y1193 HydrophobicContact CZ2-CE2 4.29Å; W238-Y1193 PolarHBondContact NE1-OH 2.99Å
239L90.4Very high88.7Confident79 Ų7938.6 Ų38.641%0.41420%0.195SC..Hα-helixtrans-63.3-38176.4-74.5171000111.5W236 P237 S243W236-L239 HydrophobicContact CE3-CD1 3.92Å; W236-L239 HydrophobicContact CZ3-CD1 4.24Å; W236-L239 PolarHBondContact O-N 3.13Å; W236-L239 VanDerWaalsContact O-N 3.16Å; P237-L239 PolarHBondContact O-N 2.81Å; P237-L239 VanDerWaalsContact O-N 3.14Å; L239-S243 WeakPolarHBondContact O-CB 3.48Å; L239-S243 PolarHBondContact O-N 3.5Å; L239-S243 PolarHBondContact O-OG 3.33Å
240Y92.3Very high88.2Confident12 Ų1240 Ų405%0.04720%0.201CC..Hα-helixtrans-65.5-52.5175.8174.1-89.6000110.3Y139 M142 L146 F147 V212 P237 W238 S243 L244Y139-Y240 HydrophobicContact CD1-CD2 4.02Å; Y139-Y240 AromaticContact CD1-CE2 3.56Å; Y139-Y240 HydrophobicContact CD1-CE2 3.56Å; Y139-Y240 AromaticContact CD1-CZ 3.9Å; Y139-Y240 HydrophobicContact CE1-CD2 4.34Å; Y139-Y240 HydrophobicContact CE1-CE2 4.32Å; Y139-Y240 HydrophobicContact CG-CE2 4.49Å; Y139-Y240 PolarHBondContact O-OH 2.83Å; M142-Y240 HydrophobicContact CB-CE2 4.13Å; M142-Y240 HydrophobicContact CG-CD2 4.14Å; M142-Y240 HydrophobicContact CG-CE2 4.03Å; M142-Y240 HydrophobicContact SD-CD2 3.85Å; M142-Y240 HydrophobicContact SD-CE2 4.11Å; L146-Y240 HydrophobicContact CD1-CD2 4.43Å; F147-Y240 AromaticContact CE2-CD1 3.93Å; F147-Y240 HydrophobicContact CE2-CD1 3.93Å; F147-Y240 HydrophobicContact CE2-CD2 4.41Å; F147-Y240 HydrophobicContact CE2-CE1 4.15Å; F147-Y240 HydrophobicContact CE2-CG 4.07Å; F147-Y240 HydrophobicContact CZ-CG 4.41Å; V212-Y240 WeakPolarHBondContact CG2-OH 3.46Å; P237-Y240 WeakPolarHBondContact O-CB 3.43Å; P237-Y240 PolarHBondContact O-N 3.34Å; W238-Y240 VanDerWaalsContact C-N 3.29Å; W238-Y240 PolarHBondContact O-N 2.91Å; Y240-S243 PolarHBondContact O-OG 3.09Å; Y240-L244 HydrophobicContact CE1-CD2 4.2Å; Y240-L244 VanDerWaalsContact O-CB 3.24Å; Y240-L244 WeakPolarHBondContact O-CB 3.45Å; Y240-L244 PolarHBondContact O-N 3.05Å
241F93.8Very high87.8Confident1 Ų140.3 Ų40.30%0.00420%0.202CC..Hα-helixtrans-71.4-44.3-175-68.6-76.5000113.7W221 V224 M225 V228 P237 W238 S243 L244 V245W221-F241 HydrophobicContact CE3-CB 4.35Å; W221-F241 HydrophobicContact CZ3-CB 4.45Å; V224-F241 HydrophobicContact CB-CE1 4.24Å; V224-F241 HydrophobicContact CG1-CE1 3.68Å; V224-F241 HydrophobicContact CG1-CZ 3.81Å; M225-F241 HydrophobicContact CB-CB 4.29Å; M225-F241 HydrophobicContact CB-CD1 4.35Å; M225-F241 HydrophobicContact CB-CD2 3.66Å; M225-F241 HydrophobicContact CB-CE2 4.06Å; M225-F241 HydrophobicContact CB-CG 3.84Å; M225-F241 HydrophobicContact CG-CB 4.3Å; M225-F241 HydrophobicContact CG-CD2 3.62Å; M225-F241 HydrophobicContact CG-CE2 4.24Å; M225-F241 HydrophobicContact CG-CG 4.1Å; M225-F241 HydrophobicContact SD-CB 4.29Å; V228-F241 HydrophobicContact CB-CE2 4.11Å; V228-F241 HydrophobicContact CB-CZ 4.43Å; V228-F241 HydrophobicContact CG1-CE2 4.34Å; V228-F241 HydrophobicContact CG2-CE2 4.14Å; V228-F241 HydrophobicContact CG2-CZ 3.97Å; P237-F241 HydrophobicContact CB-CD2 4.48Å; P237-F241 HydrophobicContact CB-CE2 4.37Å; P237-F241 VanDerWaalsContact O-CD2 3.3Å; P237-F241 WeakPolarHBondContact O-CD2 3.39Å; P237-F241 PolarHBondContact O-N 3.05Å; W238-F241 PolarHBondContact O-N 3.48Å; F241-S243 VanDerWaalsContact C-N 3.35Å; F241-S243 PolarHBondContact O-N 3.31Å; F241-L244 WeakPolarHBondContact O-CB 3.33Å; F241-L244 PolarHBondContact O-N 3.46Å; F241-V245 WeakPolarHBondContact O-CG2 3.32Å; F241-V245 PolarHBondContact O-N 3.18Å
242V91.7Very high87.3Confident27 Ų2740.3 Ų40.316%0.16420%0.201CC..Hα-helixtrans-64.4-40.9177.5174.80000110.7W238 V245 V246 L1197 F1200W238-V242 HydrophobicContact CE3-CB 4.47Å; W238-V242 HydrophobicContact CE3-CG2 4.18Å; W238-V242 VanDerWaalsContact O-CB 3.27Å; W238-V242 WeakPolarHBondContact O-CB 3.38Å; W238-V242 VanDerWaalsContact O-CG2 3.29Å; W238-V242 WeakPolarHBondContact O-CG2 3.27Å; W238-V242 PolarHBondContact O-N 2.76Å; V242-V245 PolarHBondContact O-N 3.36Å; V242-V246 HydrophobicContact CG1-CG2 4.48Å; V242-V246 WeakPolarHBondContact O-CB 3.31Å; V242-V246 VanDerWaalsContact O-CG2 3.28Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 2.98Å; V242-L1197 HydrophobicContact CG2-CD2 3.98Å; V242-F1200 HydrophobicContact CG1-CE1 4.23Å; V242-F1200 HydrophobicContact CG1-CE2 4.44Å; V242-F1200 HydrophobicContact CG1-CZ 4.08Å; V242-F1200 HydrophobicContact CG2-CD1 4.34Å; V242-F1200 HydrophobicContact CG2-CE1 4.2Å
243S91.1Very high87Confident43 Ų4340.4 Ų40.430%0.30120%0.202SC..Hα-helixtrans-67-37.1175.271.40000112.3Y139 L239 Y240 F241 V246 L247Y139-S243 WeakPolarHBondContact OH-CB 3.49Å; Y139-S243 PolarHBondContact OH-O 3.44Å; Y139-S243 PolarHBondContact OH-OG 2.92Å; L239-S243 WeakPolarHBondContact O-CB 3.48Å; L239-S243 PolarHBondContact O-N 3.5Å; L239-S243 PolarHBondContact O-OG 3.33Å; Y240-S243 PolarHBondContact O-OG 3.09Å; F241-S243 VanDerWaalsContact C-N 3.35Å; F241-S243 PolarHBondContact O-N 3.31Å; S243-V246 PolarHBondContact O-N 3.44Å; S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.43Å; S243-L247 WeakPolarHBondContact O-CG 3.1Å; S243-L247 PolarHBondContact O-N 2.73Å
244L93.1Very high86.6Confident1 Ų140.4 Ų40.41%0.00520%0.201CC..Hα-helixtrans-62-46.1175.1175.861.5000111.8Y139 V212 C215 I216 Y240 F241 G248Y139-L244 HydrophobicContact CD1-CB 3.96Å; Y139-L244 HydrophobicContact CD1-CD1 3.8Å; Y139-L244 HydrophobicContact CD1-CG 4.34Å; Y139-L244 HydrophobicContact CD2-CD1 3.87Å; Y139-L244 HydrophobicContact CE1-CB 3.79Å; Y139-L244 HydrophobicContact CE1-CD1 4.23Å; Y139-L244 HydrophobicContact CE2-CD1 4.29Å; Y139-L244 HydrophobicContact CG-CD1 3.61Å; V212-L244 HydrophobicContact CG1-CD1 3.98Å; V212-L244 HydrophobicContact CG1-CD2 4.36Å; C215-L244 HydrophobicContact CB-CD2 3.58Å; C215-L244 HydrophobicContact CB-CG 4.45Å; I216-L244 HydrophobicContact CD1-CD1 3.98Å; I216-L244 HydrophobicContact CG1-CD1 3.72Å; I216-L244 HydrophobicContact CG1-CG 4.27Å; Y240-L244 HydrophobicContact CE1-CD2 4.2Å; Y240-L244 VanDerWaalsContact O-CB 3.24Å; Y240-L244 WeakPolarHBondContact O-CB 3.45Å; Y240-L244 PolarHBondContact O-N 3.05Å; F241-L244 WeakPolarHBondContact O-CB 3.33Å; F241-L244 PolarHBondContact O-N 3.46Å; L244-G248 WeakPolarHBondContact O-CA 3.37Å; L244-G248 PolarHBondContact O-N 3.45Å
245V91.4Very high86.3Confident1 Ų138.8 Ų38.81%0.00619%0.191CC..Iπ-helixtrans-66.6-42.2178.8174.90000110.9W221 F241 V242 S249 F250 F1200 T1204W221-V245 HydrophobicContact CD2-CG2 3.76Å; W221-V245 HydrophobicContact CE3-CG2 3.99Å; W221-V245 HydrophobicContact CG-CG2 4.03Å; F241-V245 WeakPolarHBondContact O-CG2 3.32Å; F241-V245 PolarHBondContact O-N 3.18Å; V242-V245 PolarHBondContact O-N 3.36Å; V245-S249 WeakPolarHBondContact O-CA 3.41Å; V245-S249 WeakPolarHBondContact O-CB 3.35Å; V245-S249 PolarHBondContact O-N 3.13Å; V245-F250 PolarHBondContact O-N 3.39Å; V245-F1200 HydrophobicContact CB-CE1 4.29Å; V245-F1200 HydrophobicContact CB-CZ 4.2Å; V245-F1200 HydrophobicContact CG1-CE1 4.19Å; V245-F1200 HydrophobicContact CG1-CZ 3.95Å; V245-T1204 HydrophobicContact CG1-CG2 3.88Å
246V87.9Confident86.3Confident58 Ų5835.8 Ų35.835%0.35218%0.177SC..Iπ-helixtrans-68.2-46.5-179.8173.50000112.5V242 S243 F250 F251 F1200V242-V246 HydrophobicContact CG1-CG2 4.48Å; V242-V246 WeakPolarHBondContact O-CB 3.31Å; V242-V246 VanDerWaalsContact O-CG2 3.28Å; V242-V246 WeakPolarHBondContact O-CG2 3.39Å; V242-V246 PolarHBondContact O-N 2.98Å; S243-V246 PolarHBondContact O-N 3.44Å; V246-F250 HydrophobicContact CG2-CD2 4.36Å; V246-F251 PolarHBondContact O-N 3.46Å; V246-F251 VanDerWaalsContact O-N 3.11Å; V246-F1200 HydrophobicContact CG2-CE2 4.14Å; V246-F1200 HydrophobicContact CG2-CZ 4.03Å
247L84.8Confident86Confident86 Ų8629.6 Ų29.645%0.4516%0.156SC..Iπ-helixtrans-86-32.4-177.7-65.2179.3000113.4S243 F251S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.43Å; S243-L247 WeakPolarHBondContact O-CG 3.1Å; S243-L247 PolarHBondContact O-N 2.73Å; L247-F251 WeakPolarHBondContact O-CB 3.4Å
248G81Confident85.4Confident1 Ų129.4 Ų29.41%0.0116%0.155CC..Iπ-helixtrans-85.9-34.1-177.700000113.2I216 L244 V252I216-G248 WeakPolarHBondContact CG2-O 3.31Å; L244-G248 WeakPolarHBondContact O-CA 3.37Å; L244-G248 PolarHBondContact O-N 3.45Å; G248-V252 VanDerWaalsContact O-CB 3.27Å; G248-V252 WeakPolarHBondContact O-CB 3.34Å; G248-V252 WeakPolarHBondContact O-CG2 3.44Å
249S85.3Confident84.8Confident14 Ų1426.8 Ų26.810%0.09815%0.147CC..Iπ-helixtrans-103.8-66.8179.9-167.10000112.5I216 Q218 V245 F251 V252 L253I216-S249 WeakPolarHBondContact O-CB 3.44Å; I216-S249 PolarHBondContact O-OG 2.89Å; Q218-S249 WeakPolarHBondContact CG-OG 3.42Å; Q218-S249 PolarHBondContact NE2-OG 3.34Å; V245-S249 WeakPolarHBondContact O-CA 3.41Å; V245-S249 WeakPolarHBondContact O-CB 3.35Å; V245-S249 PolarHBondContact O-N 3.13Å; S249-F251 PolarHBondContact O-N 3.04Å; S249-V252 PolarHBondContact O-N 2.93Å; S249-L253 VanDerWaalsContact O-CB 3.31Å; S249-L253 WeakPolarHBondContact O-CB 3.39Å; S249-L253 PolarHBondContact O-N 3.4Å
250F82.5Confident84.2Confident39 Ų3923 Ų2317%0.17113%0.127CC..Iπ-helixtrans-62-43.2-173.3-67.5-42.8000113.4Q218 V245 V246 N254 F1200 T1204 F1264Q218-F250 VanDerWaalsContact NE2-CE1 3.35Å; V245-F250 PolarHBondContact O-N 3.39Å; V246-F250 HydrophobicContact CG2-CD2 4.36Å; F250-N254 WeakPolarHBondContact O-CB 3.34Å; F250-N254 PolarHBondContact O-N 2.62Å; F250-N254 PolarHBondContact O-ND2 3.42Å; F250-F1200 HydrophobicContact CE2-CE2 4.38Å; F250-T1204 HydrophobicContact CZ-CG2 4.37Å; F250-F1264 AromaticContact CD1-CZ 3.87Å; F250-F1264 HydrophobicContact CD1-CZ 3.87Å
251F82Confident83.3Confident20 Ų2022.9 Ų22.99%0.08813%0.128CC..Hα-helixtrans-63.3-45176.7177.7-74.9000111.7L131 V246 L247 S249 N254 L255 F1143 F1147L131-F251 HydrophobicContact CD2-CE1 3.73Å; L131-F251 HydrophobicContact CD2-CZ 4.47Å; V246-F251 PolarHBondContact O-N 3.46Å; V246-F251 VanDerWaalsContact O-N 3.11Å; L247-F251 WeakPolarHBondContact O-CB 3.4Å; S249-F251 PolarHBondContact O-N 3.04Å; F251-N254 PolarHBondContact O-N 2.96Å; F251-L255 HydrophobicContact CE1-CD2 4.33Å; F251-L255 WeakPolarHBondContact O-CB 3.48Å; F251-L255 PolarHBondContact O-N 3.46Å; F251-L255 VanDerWaalsContact O-N 3.11Å; F251-F1143 HydrophobicContact CB-CE1 4.31Å; F251-F1143 AromaticContact CD2-CD1 3.22Å; F251-F1143 HydrophobicContact CD2-CD1 3.22Å; F251-F1143 AromaticContact CD2-CE1 3.1Å; F251-F1143 HydrophobicContact CD2-CE1 3.1Å; F251-F1143 HydrophobicContact CD2-CG 4.15Å; F251-F1143 HydrophobicContact CD2-CZ 4.07Å; F251-F1143 HydrophobicContact CE2-CB 3.91Å; F251-F1143 AromaticContact CE2-CD1 2.93Å; F251-F1143 HydrophobicContact CE2-CD1 2.93Å; F251-F1143 AromaticContact CE2-CE1 3.42Å; F251-F1143 HydrophobicContact CE2-CE1 3.42Å; F251-F1143 VanDerWaalsContact CE2-CE1 3.42Å; F251-F1143 AromaticContact CE2-CG 3.57Å; F251-F1143 HydrophobicContact CE2-CG 3.57Å; F251-F1143 HydrophobicContact CE2-CZ 4.44Å; F251-F1143 HydrophobicContact CG-CD1 4.16Å; F251-F1143 AromaticContact CG-CE1 3.76Å; F251-F1143 HydrophobicContact CG-CE1 3.76Å; F251-F1143 HydrophobicContact CG-CZ 4.32Å; F251-F1143 HydrophobicContact CZ-CB 3.88Å; F251-F1143 AromaticContact CZ-CD1 3.66Å; F251-F1143 HydrophobicContact CZ-CD1 3.66Å; F251-F1143 HydrophobicContact CZ-CE1 4.22Å; F251-F1143 AromaticContact CZ-CG 3.8Å; F251-F1143 HydrophobicContact CZ-CG 3.8Å; F251-F1147 HydrophobicContact CD2-CE2 4.35Å
252V80.6Confident82.3Confident12 Ų1222.8 Ų22.87%0.07313%0.128CC..Hα-helixtrans-67.8-44.8-177.4170.10000111.2V132 G248 S249 N254 L255 I256V132-V252 HydrophobicContact CG2-CB 4.14Å; V132-V252 HydrophobicContact CG2-CG1 3.27Å; V132-V252 HydrophobicContact CG2-CG2 3.73Å; G248-V252 VanDerWaalsContact O-CB 3.27Å; G248-V252 WeakPolarHBondContact O-CB 3.34Å; G248-V252 WeakPolarHBondContact O-CG2 3.44Å; S249-V252 PolarHBondContact O-N 2.93Å; V252-N254 VanDerWaalsContact C-N 3.3Å; V252-N254 PolarHBondContact O-N 3.04Å; V252-L255 WeakPolarHBondContact O-CB 3.47Å; V252-L255 PolarHBondContact O-N 2.86Å; V252-L255 VanDerWaalsContact O-N 3.11Å; V252-I256 HydrophobicContact CG1-CD1 3.71Å; V252-I256 HydrophobicContact CG1-CG1 4.27Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 3.13Å
253L79.6Confident81.6Confident67 Ų6723.5 Ų23.535%0.35113%0.129SC..Hα-helixtrans-57.8-45.3177.8-175.167.7000111S249 L255 I256 L257 F1264S249-L253 VanDerWaalsContact O-CB 3.31Å; S249-L253 WeakPolarHBondContact O-CB 3.39Å; S249-L253 PolarHBondContact O-N 3.4Å; L253-L255 VanDerWaalsContact C-N 3.31Å; L253-L255 PolarHBondContact O-N 2.93Å; L253-I256 PolarHBondContact O-N 3.43Å; L253-L257 HydrophobicContact CD1-CD1 4.46Å; L253-L257 HydrophobicContact CG-CD1 4.05Å; L253-L257 WeakPolarHBondContact O-CB 3.3Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 2.89Å; L253-F1264 HydrophobicContact CD2-CE2 3.94Å; L253-F1264 HydrophobicContact CD2-CZ 4.48Å
254N78.6Confident80.8Confident3 Ų323.3 Ų23.32%0.01612%0.123CC..Hα-helixtrans-60-41.4175.6-81.9-50.8000113F250 F251 V252 G258 F1143 F1264F250-N254 WeakPolarHBondContact O-CB 3.34Å; F250-N254 PolarHBondContact O-N 2.62Å; F250-N254 PolarHBondContact O-ND2 3.42Å; F251-N254 PolarHBondContact O-N 2.96Å; V252-N254 VanDerWaalsContact C-N 3.3Å; V252-N254 PolarHBondContact O-N 3.04Å; N254-G258 PolarHBondContact O-N 3.44Å; N254-F1143 HydrophobicContact CB-CE2 3.64Å; N254-F1143 HydrophobicContact CB-CZ 3.56Å; N254-F1264 VanDerWaalsContact CG-CD1 3.43Å; N254-F1264 WeakPolarHBondContact ND2-CD1 3.36Å; N254-F1264 WeakPolarHBondContact ND2-CE1 3.19Å; N254-F1264 WeakPolarHBondContact OD1-CA 3.47Å; N254-F1264 WeakPolarHBondContact OD1-CB 3.32Å; N254-F1264 WeakPolarHBondContact OD1-CD1 3.19Å; N254-F1264 WeakPolarHBondContact OD1-CG 3.44Å
255L80.8Confident79.8Confident12 Ų1224.7 Ų24.76%0.06313%0.132CC..Hα-helixtrans-68.2-43.5-179.6-174.571.7000111.9V128 L131 F251 V252 L253 G258 V259 L1139V128-L255 HydrophobicContact CB-CD2 3.97Å; V128-L255 HydrophobicContact CB-CG 4.42Å; V128-L255 HydrophobicContact CG1-CB 4.44Å; V128-L255 HydrophobicContact CG1-CD2 3.45Å; V128-L255 VanDerWaalsContact CG1-CD2 3.45Å; V128-L255 HydrophobicContact CG1-CG 3.96Å; V128-L255 HydrophobicContact CG2-CD2 3.69Å; V128-L255 HydrophobicContact CG2-CG 3.73Å; L131-L255 HydrophobicContact CD2-CD2 3.88Å; F251-L255 HydrophobicContact CE1-CD2 4.33Å; F251-L255 WeakPolarHBondContact O-CB 3.48Å; F251-L255 PolarHBondContact O-N 3.46Å; F251-L255 VanDerWaalsContact O-N 3.11Å; V252-L255 WeakPolarHBondContact O-CB 3.47Å; V252-L255 PolarHBondContact O-N 2.86Å; V252-L255 VanDerWaalsContact O-N 3.11Å; L253-L255 VanDerWaalsContact C-N 3.31Å; L253-L255 PolarHBondContact O-N 2.93Å; L255-G258 PolarHBondContact O-N 2.91Å; L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 2.96Å; L255-L1139 HydrophobicContact CD1-CD1 3.89Å; L255-L1139 HydrophobicContact CD1-CD2 3.55Å; L255-L1139 HydrophobicContact CD1-CG 3.67Å; L255-L1139 HydrophobicContact CD2-CD1 4.15Å; L255-L1139 HydrophobicContact CD2-CD2 3.45Å; L255-L1139 VanDerWaalsContact CD2-CD2 3.45Å; L255-L1139 HydrophobicContact CD2-CG 4.26Å; L255-L1139 HydrophobicContact CG-CD1 4.37Å; L255-L1139 HydrophobicContact CG-CD2 4.1Å
256I81.4Confident78.9Confident43 Ų4325.9 Ų25.922%0.22114%0.137CC..Hα-helixtrans-63.3-47.7176.5-65172.3000110L125 V128 V252 L253 G258 V259 L260 L588L125-I256 HydrophobicContact CD2-CB 4.29Å; L125-I256 HydrophobicContact CD2-CG1 4.32Å; L125-I256 HydrophobicContact CD2-CG2 3.93Å; V128-I256 HydrophobicContact CG1-CD1 4.41Å; V128-I256 HydrophobicContact CG1-CG1 3.57Å; V252-I256 HydrophobicContact CG1-CD1 3.71Å; V252-I256 HydrophobicContact CG1-CG1 4.27Å; V252-I256 WeakPolarHBondContact O-CG1 3.34Å; V252-I256 PolarHBondContact O-N 3.13Å; L253-I256 PolarHBondContact O-N 3.43Å; I256-G258 VanDerWaalsContact C-N 3.34Å; I256-G258 PolarHBondContact O-N 3.32Å; I256-V259 PolarHBondContact O-N 2.93Å; I256-L260 HydrophobicContact CG2-CD1 3.86Å; I256-L260 HydrophobicContact CG2-CG 4.48Å; I256-L260 WeakPolarHBondContact O-CB 3.44Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 2.87Å; I256-L588 HydrophobicContact CG2-CD2 3.46Å; I256-L588 VanDerWaalsContact CG2-CD2 3.46Å
257L78.3Confident78.1Confident26 Ų2626.1 Ų26.114%0.13614%0.135CC..Hα-helixtrans-59.4-43176.8-77.3171.5000112.1L253 S261 L588 I1268L253-L257 HydrophobicContact CD1-CD1 4.46Å; L253-L257 HydrophobicContact CG-CD1 4.05Å; L253-L257 WeakPolarHBondContact O-CB 3.3Å; L253-L257 VanDerWaalsContact O-CG 3.31Å; L253-L257 WeakPolarHBondContact O-CG 3.42Å; L253-L257 PolarHBondContact O-N 2.89Å; L257-S261 WeakPolarHBondContact O-CB 3.45Å; L257-S261 PolarHBondContact O-N 3.34Å; L257-L588 HydrophobicContact CD2-CD1 3.55Å; L257-L588 HydrophobicContact CD2-CG 4.38Å; L257-I1268 HydrophobicContact CB-CD1 4.01Å
258G76.9Confident77.3Confident2 Ų224.8 Ų24.82%0.02112%0.124CC..Hα-helixtrans-62.3-50.5176.500000112.6N254 L255 I256 S261 G262 L1275N254-G258 PolarHBondContact O-N 3.44Å; L255-G258 PolarHBondContact O-N 2.91Å; I256-G258 VanDerWaalsContact C-N 3.34Å; I256-G258 PolarHBondContact O-N 3.32Å; G258-S261 PolarHBondContact O-N 3.37Å; G258-G262 PolarHBondContact O-N 3.4Å; G258-L1275 WeakPolarHBondContact O-CD1 3.45Å
259V77.2Confident76.8Confident15 Ų1529.3 Ų29.39%0.09115%0.145CC..Hα-helixtrans-60.6-47.7179.3171.30000111.4P124 L125 V128 L255 I256 G262 E263 L1275P124-V259 HydrophobicContact CB-CG1 3.81Å; P124-V259 HydrophobicContact CG-CG1 4.06Å; L125-V259 HydrophobicContact CD2-CB 3.92Å; L125-V259 HydrophobicContact CD2-CG1 3.78Å; L125-V259 HydrophobicContact CG-CG1 4.1Å; V128-V259 HydrophobicContact CG2-CG2 3.85Å; L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 2.96Å; I256-V259 PolarHBondContact O-N 2.93Å; V259-G262 PolarHBondContact O-N 3.04Å; V259-E263 WeakPolarHBondContact O-CG 3.35Å; V259-E263 PolarHBondContact O-N 3.03Å; V259-L1275 HydrophobicContact CG2-CD2 3.83Å
260L77.6Confident76.2Confident0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-67-42.2179.5-71.2171.2000112.4A121 L125 I256 G262 E263 F264 Y585 L588 L592A121-L260 HydrophobicContact CB-CD2 3.86Å; L125-L260 HydrophobicContact CD1-CD1 4.25Å; L125-L260 HydrophobicContact CD1-CD2 3.66Å; L125-L260 HydrophobicContact CD1-CG 3.91Å; L125-L260 HydrophobicContact CD2-CG 4.31Å; L125-L260 HydrophobicContact CG-CD2 4.29Å; L125-L260 HydrophobicContact CG-CG 4.38Å; I256-L260 HydrophobicContact CG2-CD1 3.86Å; I256-L260 HydrophobicContact CG2-CG 4.48Å; I256-L260 WeakPolarHBondContact O-CB 3.44Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 2.87Å; L260-G262 VanDerWaalsContact C-N 3.27Å; L260-G262 PolarHBondContact O-N 3.37Å; L260-E263 PolarHBondContact O-N 3.42Å; L260-F264 VanDerWaalsContact O-CD2 3.29Å; L260-F264 WeakPolarHBondContact O-CD2 3.44Å; L260-F264 PolarHBondContact O-N 3.29Å; L260-Y585 HydrophobicContact CD2-CE2 4.26Å; L260-L588 HydrophobicContact CD1-CB 4.41Å; L260-L588 HydrophobicContact CD1-CD2 3.35Å; L260-L588 HydrophobicContact CD1-CG 3.71Å; L260-L592 HydrophobicContact CB-CD1 3.09Å; L260-L592 HydrophobicContact CD1-CD1 3.75Å; L260-L592 HydrophobicContact CG-CD1 4.02Å
261S73.8Confident75.6Confident9 Ų932.2 Ų32.26%0.06316%0.16CC..Hα-helixtrans-58.2-41174.8179.20000111.7L257 G258 S265L257-S261 WeakPolarHBondContact O-CB 3.45Å; L257-S261 PolarHBondContact O-N 3.34Å; G258-S261 PolarHBondContact O-N 3.37Å; S261-S265 VanDerWaalsContact O-CB 3.29Å; S261-S265 WeakPolarHBondContact O-CB 3.44Å; S261-S265 PolarHBondContact O-N 2.8Å; S261-S265 PolarHBondContact O-OG 3.18Å
262G73.9Confident74.9Confident0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-61.8-44.1174.200000113.1G258 V259 L260 S265 K266G258-G262 PolarHBondContact O-N 3.4Å; V259-G262 PolarHBondContact O-N 3.04Å; L260-G262 VanDerWaalsContact C-N 3.27Å; L260-G262 PolarHBondContact O-N 3.37Å; G262-S265 PolarHBondContact O-N 2.89Å; G262-K266 WeakPolarHBondContact O-CG 3.49Å; G262-K266 PolarHBondContact O-N 3.37Å
263E76.1Confident74.5Confident41 Ų4143.8 Ų43.819%0.19221%0.214CC..Hα-helixtrans-70.9-42.3179.1-69.5-57.7127.600113.3P124 V259 L260 S265 K266 E267P124-E263 HydrophobicContact CB-CG 4.38Å; P124-E263 HydrophobicContact CG-CG 3.47Å; P124-E263 VanDerWaalsContact CG-CG 3.47Å; V259-E263 WeakPolarHBondContact O-CG 3.35Å; V259-E263 PolarHBondContact O-N 3.03Å; L260-E263 PolarHBondContact O-N 3.42Å; E263-S265 PolarHBondContact O-N 3.23Å; E263-K266 PolarHBondContact O-N 2.81Å; E263-K266 IonicContact OE1-NZ 2.62Å; E263-K266 PolarHBondContact OE1-NZ 3.36Å; E263-E267 PolarHBondContact O-N 3.42Å
264F73.5Confident74.4Confident40 Ų4049 Ų4918%0.17523%0.229CC..Hα-helixtrans-61.8-36.4172.7-85.5-75.3000111.5L260 E267 R268 N589 L592 A593 V596L260-F264 VanDerWaalsContact O-CD2 3.29Å; L260-F264 WeakPolarHBondContact O-CD2 3.44Å; L260-F264 PolarHBondContact O-N 3.29Å; F264-E267 PolarHBondContact O-N 2.99Å; F264-R268 VanDerWaalsContact O-CB 3.31Å; F264-R268 WeakPolarHBondContact O-CB 3.47Å; F264-R268 PolarHBondContact O-N 3.39Å; F264-N589 WeakPolarHBondContact CE2-OD1 3.29Å; F264-N589 HydrophobicContact CZ-CB 4.23Å; F264-L592 HydrophobicContact CD2-CB 3.66Å; F264-L592 HydrophobicContact CD2-CD1 3.92Å; F264-L592 HydrophobicContact CD2-CG 4.43Å; F264-L592 HydrophobicContact CE2-CB 3.65Å; F264-L592 HydrophobicContact CE2-CD1 3.99Å; F264-L592 HydrophobicContact CE2-CG 4.49Å; F264-L592 HydrophobicContact CG-CB 4.38Å; F264-L592 HydrophobicContact CZ-CB 4.35Å; F264-A593 HydrophobicContact CE1-CB 4.2Å; F264-V596 HydrophobicContact CB-CG2 4.18Å
265S71.9Confident74.2Confident29 Ų2950 Ų5020%0.20324%0.24CC..Hα-helixtrans-65.3-41.8174.1-60.50000112S261 G262 E263 R268 E269S261-S265 VanDerWaalsContact O-CB 3.29Å; S261-S265 WeakPolarHBondContact O-CB 3.44Å; S261-S265 PolarHBondContact O-N 2.8Å; S261-S265 PolarHBondContact O-OG 3.18Å; G262-S265 PolarHBondContact O-N 2.89Å; E263-S265 PolarHBondContact O-N 3.23Å; S265-R268 PolarHBondContact O-N 3.39Å; S265-E269 PolarHBondContact O-N 3.12Å
266K73.6Confident73.7Confident26 Ų2654.1 Ų54.111%0.11326%0.261CS..Hα-helixtrans-62.2-44.7174-73.4175-168.3159.70112.2G262 E263 E269 K270 L1275 T1276G262-K266 WeakPolarHBondContact O-CG 3.49Å; G262-K266 PolarHBondContact O-N 3.37Å; E263-K266 PolarHBondContact O-N 2.81Å; E263-K266 IonicContact OE1-NZ 2.62Å; E263-K266 PolarHBondContact OE1-NZ 3.36Å; K266-E269 PolarHBondContact O-N 3.04Å; K266-K270 WeakPolarHBondContact O-CG 3.46Å; K266-K270 PolarHBondContact O-N 2.87Å; K266-L1275 VanDerWaalsContact CE-O 3.3Å; K266-L1275 WeakPolarHBondContact CE-O 3.49Å; K266-L1275 PolarHBondContact NZ-O 3.32Å; K266-T1276 VanDerWaalsContact CE-C 3.47Å; K266-T1276 VanDerWaalsContact CE-O 3.29Å; K266-T1276 WeakPolarHBondContact CE-O 3.47Å
267E70.3Confident72.9Confident63 Ų6354.7 Ų54.729%0.29426%0.263SS..Hα-helixtrans-67.2-36.7176.9-76.1-55.6131.800112.2E263 F264 K270 A271E263-E267 PolarHBondContact O-N 3.42Å; F264-E267 PolarHBondContact O-N 2.99Å; E267-K270 PolarHBondContact O-N 3.4Å; E267-K270 WeakPolarHBondContact OE1-CD 3.48Å; E267-K270 IonicContact OE1-NZ 2.75Å; E267-K270 PolarHBondContact OE1-NZ 2.91Å; E267-A271 WeakPolarHBondContact O-CB 3.29Å; E267-A271 PolarHBondContact O-N 3.06Å
268R69.2Low72.6Confident58 Ų5862 Ų6222%0.21929%0.288CS..Hα-helixtrans-60.1-45.8170.5176.8177.9169.9-173.6-7111.2F264 S265 A271 R272 F277 D603F264-R268 VanDerWaalsContact O-CB 3.31Å; F264-R268 WeakPolarHBondContact O-CB 3.47Å; F264-R268 PolarHBondContact O-N 3.39Å; S265-R268 PolarHBondContact O-N 3.39Å; R268-A271 CarbonylContact O-C 3.58Å; R268-A271 WeakPolarHBondContact O-CA 3.32Å; R268-A271 WeakPolarHBondContact O-CB 3.39Å; R268-A271 PolarHBondContact O-N 3.44Å; R268-A271 VanDerWaalsContact O-N 3.1Å; R268-R272 PolarHBondContact O-N 3.05Å; R268-F277 HydrophobicContact CG-CE2 4.21Å; R268-F277 HydrophobicContact CG-CZ 4.06Å; R268-D603 IonicContact CZ-OD2 2.98Å; R268-D603 IonicContact NH1-OD2 3.18Å; R268-D603 IonicContact NH2-OD2 2.9Å; R268-D603 PolarHBondContact NH2-OD2 3.27Å
269E70.5Confident72.6Confident96 Ų9668.4 Ų68.445%0.44932%0.316SS..Hα-helixtrans-65.4-41.4-179.7-16953.5-141.100111.3S265 K266 A271 R272 V273S265-E269 PolarHBondContact O-N 3.12Å; K266-E269 PolarHBondContact O-N 3.04Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 3.39Å; E269-R272 WeakPolarHBondContact O-CB 3.38Å; E269-R272 PolarHBondContact O-N 3.17Å; E269-R272 VanDerWaalsContact O-N 3.13Å; E269-V273 WeakPolarHBondContact O-CG2 3.03Å; E269-V273 PolarHBondContact O-N 3.49Å
270K72.9Confident72Confident93 Ų9374.2 Ų74.240%0.40434%0.336SS..Hα-helixtrans-59-39.5170.6-69173.1-164.61670111.9K266 E267 R274K266-K270 WeakPolarHBondContact O-CG 3.46Å; K266-K270 PolarHBondContact O-N 2.87Å; E267-K270 PolarHBondContact O-N 3.4Å; E267-K270 WeakPolarHBondContact OE1-CD 3.48Å; E267-K270 IonicContact OE1-NZ 2.75Å; E267-K270 PolarHBondContact OE1-NZ 2.91Å; K270-R274 VanDerWaalsContact O-CG 3.23Å; K270-R274 WeakPolarHBondContact O-CG 3.29Å; K270-R274 PolarHBondContact O-N 3.34Å; K270-R274 VanDerWaalsContact O-N 3.08Å
271A69.3Low71.7Confident22 Ų2279.9 Ų79.918%0.18236%0.357CS..Hα-helixtrans-68.9-34.5175.800000112.9E267 R268 E269 R274 G275 L276 F277E267-A271 WeakPolarHBondContact O-CB 3.29Å; E267-A271 PolarHBondContact O-N 3.06Å; R268-A271 CarbonylContact O-C 3.58Å; R268-A271 WeakPolarHBondContact O-CA 3.32Å; R268-A271 WeakPolarHBondContact O-CB 3.39Å; R268-A271 PolarHBondContact O-N 3.44Å; R268-A271 VanDerWaalsContact O-N 3.1Å; E269-A271 VanDerWaalsContact C-N 3.28Å; E269-A271 PolarHBondContact O-N 3.39Å; A271-R274 PolarHBondContact O-N 3.49Å; A271-G275 PolarHBondContact O-N 3.02Å; A271-L276 HydrophobicContact CB-CD1 4.18Å; A271-L276 PolarHBondContact O-N 3.21Å; A271-F277 HydrophobicContact CB-CE2 4.49Å
272R66.8Low71.9Confident158 Ų15883.9 Ų83.960%0.59638%0.375SS*.Hα-helixtrans-63.3-49.8172-172.6-177.2175.1148.30.4111.6R268 E269 R274 G275 F277R268-R272 PolarHBondContact O-N 3.05Å; E269-R272 WeakPolarHBondContact O-CB 3.38Å; E269-R272 PolarHBondContact O-N 3.17Å; E269-R272 VanDerWaalsContact O-N 3.13Å; R272-R274 PolarHBondContact O-N 3.17Å; R272-G275 PolarHBondContact O-N 3.14Å; R272-F277 HydrophobicContact CB-CD2 4Å; R272-F277 HydrophobicContact CB-CE2 4.18Å; R272-F277 HydrophobicContact CG-CD2 4.38Å
273V73Confident72.2Confident116 Ų11690.8 Ų90.870%0.70341%0.405SS*.Hα-helixtrans-60.9-33.3176.2174.40000111.9E269 G275E269-V273 WeakPolarHBondContact O-CG2 3.03Å; E269-V273 PolarHBondContact O-N 3.49Å; V273-G275 PolarHBondContact O-N 3.34Å
274R77Confident72Confident176 Ų17692 Ų9266%0.66442%0.415SS*.THydrogen-bonded Turntrans-71.2-8.6173.9-71.7172.4-167.5165.27.5114.2K270 A271 R272K270-R274 VanDerWaalsContact O-CG 3.23Å; K270-R274 WeakPolarHBondContact O-CG 3.29Å; K270-R274 PolarHBondContact O-N 3.34Å; K270-R274 VanDerWaalsContact O-N 3.08Å; A271-R274 PolarHBondContact O-N 3.49Å; R272-R274 PolarHBondContact O-N 3.17Å
275G74.7Confident72.2Confident24 Ų2495.3 Ų95.325%0.24743%0.431CS..THydrogen-bonded Turntrans78.217.4177.800000115.5A271 R272 V273 F277 R278 K279A271-G275 PolarHBondContact O-N 3.02Å; R272-G275 PolarHBondContact O-N 3.14Å; V273-G275 PolarHBondContact O-N 3.34Å; G275-F277 VanDerWaalsContact C-N 3.34Å; G275-F277 PolarHBondContact O-N 3.45Å; G275-R278 PolarHBondContact O-N 3.12Å; G275-K279 PolarHBondContact O-N 3.37Å
276L70.3Confident72.8Confident99 Ų9999.3 Ų99.352%0.51845%0.45SS..Hα-helixtrans-64.8-37.6178.2-75.4170.4000112.5A271 K279 R280A271-L276 HydrophobicContact CB-CD1 4.18Å; A271-L276 PolarHBondContact O-N 3.21Å; L276-K279 PolarHBondContact O-N 3.02Å; L276-R280 PolarHBondContact O-N 3.47Å
277F65.1Low73.1Confident56 Ų56103.4 Ų103.425%0.24647%0.469CS..Hα-helixtrans-64.5-41.6176.3-74.2-82.3000112.1R268 A271 R272 G275 K279 R280 R281 A600R268-F277 HydrophobicContact CG-CE2 4.21Å; R268-F277 HydrophobicContact CG-CZ 4.06Å; A271-F277 HydrophobicContact CB-CE2 4.49Å; R272-F277 HydrophobicContact CB-CD2 4Å; R272-F277 HydrophobicContact CB-CE2 4.18Å; R272-F277 HydrophobicContact CG-CD2 4.38Å; G275-F277 VanDerWaalsContact C-N 3.34Å; G275-F277 PolarHBondContact O-N 3.45Å; F277-K279 PolarHBondContact O-N 3.01Å; F277-R280 PolarHBondContact O-N 3.26Å; F277-R280 VanDerWaalsContact O-N 3.16Å; F277-R281 WeakPolarHBondContact O-CB 3.35Å; F277-R281 WeakPolarHBondContact O-CG 3.48Å; F277-R281 PolarHBondContact O-N 3.4Å; F277-A600 HydrophobicContact CE1-CB 3.96Å; F277-A600 HydrophobicContact CZ-CB 4.47Å
278R71.7Confident73.4Confident178 Ų178105.5 Ų105.567%0.67248%0.479SS*.Hα-helixtrans-58.4-47.8175.2-178.1177171.7169.25.6110.9G275 R280 R281 E282G275-R278 PolarHBondContact O-N 3.12Å; R278-R280 VanDerWaalsContact C-N 3.32Å; R278-R280 PolarHBondContact O-N 3.34Å; R278-R281 PolarHBondContact O-N 3.4Å; R278-E282 HydrophobicContact CG-CG 4.44Å; R278-E282 WeakPolarHBondContact CG-OE1 3.36Å; R278-E282 IonicContact CZ-OE1 3.04Å; R278-E282 IonicContact NE-OE1 3.51Å; R278-E282 PolarHBondContact NE-OE1 3.25Å; R278-E282 IonicContact NH2-OE1 2.71Å; R278-E282 WeakPolarHBondContact O-CB 3.5Å; R278-E282 VanDerWaalsContact O-CG 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.31Å; R278-E282 PolarHBondContact O-N 2.99Å
279K76.9Confident74.2Confident137 Ų137106.2 Ų106.260%0.59649%0.485SS*.Hα-helixtrans-61.8-36175.7-71.1-175.1178.9-178.50113.4G275 L276 F277 K283G275-K279 PolarHBondContact O-N 3.37Å; L276-K279 PolarHBondContact O-N 3.02Å; F277-K279 PolarHBondContact O-N 3.01Å; K279-K283 WeakPolarHBondContact O-CG 3.31Å; K279-K283 PolarHBondContact O-N 2.9Å
280R64.6Low74.9Confident138 Ų138107.1 Ų107.152%0.52149%0.492SS..Hα-helixtrans-72.4-43.4178.4-170-178-85.5-174.3-2.8110.9L276 F277 R278 K283 V284L276-R280 PolarHBondContact O-N 3.47Å; F277-R280 PolarHBondContact O-N 3.26Å; F277-R280 VanDerWaalsContact O-N 3.16Å; R278-R280 VanDerWaalsContact C-N 3.32Å; R278-R280 PolarHBondContact O-N 3.34Å; R280-K283 PolarHBondContact O-N 3.1Å; R280-V284 WeakPolarHBondContact O-CG2 3.37Å; R280-V284 PolarHBondContact O-N 3.48Å
281R69.7Low75.2Confident118 Ų118110 Ų11045%0.44550%0.5SS..Hα-helixtrans-60.2-48.8174-73.8-174.8-174.3-179.9-1.5111.6F277 R278 K283 V284 Q285F277-R281 WeakPolarHBondContact O-CB 3.35Å; F277-R281 WeakPolarHBondContact O-CG 3.48Å; F277-R281 PolarHBondContact O-N 3.4Å; R278-R281 PolarHBondContact O-N 3.4Å; R281-K283 PolarHBondContact O-N 3.33Å; R281-V284 PolarHBondContact O-N 3.37Å; R281-V284 VanDerWaalsContact O-N 3.12Å; R281-Q285 WeakPolarHBondContact O-CB 3.47Å; R281-Q285 PolarHBondContact O-N 3Å
282E79.4Confident75.6Confident93 Ų93111.3 Ų111.344%0.43551%0.508SS..Hα-helixtrans-55.8-38.3176.4-75.4169.1-176.700111.7R278 L286R278-E282 HydrophobicContact CG-CG 4.44Å; R278-E282 WeakPolarHBondContact CG-OE1 3.36Å; R278-E282 IonicContact CZ-OE1 3.04Å; R278-E282 IonicContact NE-OE1 3.51Å; R278-E282 PolarHBondContact NE-OE1 3.25Å; R278-E282 IonicContact NH2-OE1 2.71Å; R278-E282 WeakPolarHBondContact O-CB 3.5Å; R278-E282 VanDerWaalsContact O-CG 3.29Å; R278-E282 WeakPolarHBondContact O-CG 3.31Å; R278-E282 PolarHBondContact O-N 2.99Å; E282-L286 WeakPolarHBondContact O-CB 3.25Å; E282-L286 PolarHBondContact O-N 3.41Å
283K79.7Confident76.6Confident145 Ų145109.9 Ų109.963%0.6350%0.504SS*.Hα-helixtrans-69.1-44.6175.4-76-177.5178.8-170.30113.6K279 R280 R281 L286 E287K279-K283 WeakPolarHBondContact O-CG 3.31Å; K279-K283 PolarHBondContact O-N 2.9Å; R280-K283 PolarHBondContact O-N 3.1Å; R281-K283 PolarHBondContact O-N 3.33Å; K283-L286 PolarHBondContact O-N 3.1Å; K283-E287 WeakPolarHBondContact O-CG 3.41Å; K283-E287 PolarHBondContact O-N 3.38Å
284V71Confident76.9Confident68 Ų68107.7 Ų107.741%0.41249%0.488SS..Hα-helixtrans-65-44.2178.8173.50000110R280 R281 L286 E287 E288R280-V284 WeakPolarHBondContact O-CG2 3.37Å; R280-V284 PolarHBondContact O-N 3.48Å; R281-V284 PolarHBondContact O-N 3.37Å; R281-V284 VanDerWaalsContact O-N 3.12Å; V284-L286 PolarHBondContact O-N 2.95Å; V284-E287 PolarHBondContact O-N 3.03Å; V284-E287 VanDerWaalsContact O-N 3.14Å; V284-E288 PolarHBondContact O-N 3.37Å
285Q78.4Confident76.9Confident108 Ų108103.7 Ų103.751%0.50548%0.48SS..Hα-helixtrans-60.8-44.9175.3-175.4173.8-7.100111.2R281 E287 E288 E289R281-Q285 WeakPolarHBondContact O-CB 3.47Å; R281-Q285 PolarHBondContact O-N 3Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3.36Å; Q285-E288 PolarHBondContact O-N 3.45Å; Q285-E289 HydrophobicContact CG-CG 4.38Å; Q285-E289 WeakPolarHBondContact CG-OE1 2.85Å; Q285-E289 PolarHBondContact NE2-OE1 3.31Å; Q285-E289 WeakPolarHBondContact O-CB 3.35Å; Q285-E289 VanDerWaalsContact O-CG 3.3Å; Q285-E289 WeakPolarHBondContact O-CG 3.39Å; Q285-E289 PolarHBondContact O-N 3.06Å
286L84.3Confident77.1Confident113 Ų113110.4 Ų110.459%0.59250%0.498SS*.Hα-helixtrans-60.8-37.1174.2-166.798.5000112.1E282 K283 V284 L290E282-L286 WeakPolarHBondContact O-CB 3.25Å; E282-L286 PolarHBondContact O-N 3.41Å; K283-L286 PolarHBondContact O-N 3.1Å; V284-L286 PolarHBondContact O-N 2.95Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 PolarHBondContact O-N 3.04Å
287E80Confident77.5Confident113 Ų113110.3 Ų110.353%0.52850%0.497SS..Hα-helixtrans-69.5-39.2175.3-77-176.2-169.100112.5K283 V284 Q285 R291K283-E287 WeakPolarHBondContact O-CG 3.41Å; K283-E287 PolarHBondContact O-N 3.38Å; V284-E287 PolarHBondContact O-N 3.03Å; V284-E287 VanDerWaalsContact O-N 3.14Å; Q285-E287 VanDerWaalsContact C-N 3.3Å; Q285-E287 PolarHBondContact O-N 3.36Å; E287-R291 WeakPolarHBondContact O-CB 3.22Å; E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.33Å; E287-R291 PolarHBondContact O-N 3.41Å
288E76.8Confident77.7Confident106 Ų106109.1 Ų109.150%0.49549%0.492SS..Hα-helixtrans-65.3-47.1173.7-73.7-172.8173.900111.3V284 Q285 R291 S292 K612V284-E288 PolarHBondContact O-N 3.37Å; Q285-E288 PolarHBondContact O-N 3.45Å; E288-R291 PolarHBondContact O-N 3.36Å; E288-S292 WeakPolarHBondContact O-CB 3.23Å; E288-S292 PolarHBondContact O-N 2.62Å; E288-K612 IonicContact OE2-NZ 2.74Å
289E86.4Confident77.7Confident74 Ų74106.5 Ų106.535%0.34649%0.488SS..Hα-helixtrans-60.1-47.5175-74.6176-168.600110.7Q285 R291 S292 Y293Q285-E289 HydrophobicContact CG-CG 4.38Å; Q285-E289 WeakPolarHBondContact CG-OE1 2.85Å; Q285-E289 PolarHBondContact NE2-OE1 3.31Å; Q285-E289 WeakPolarHBondContact O-CB 3.35Å; Q285-E289 VanDerWaalsContact O-CG 3.3Å; Q285-E289 WeakPolarHBondContact O-CG 3.39Å; Q285-E289 PolarHBondContact O-N 3.06Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.41Å; E289-S292 CarbonylContact O-C 3.58Å; E289-S292 WeakPolarHBondContact O-CA 3.32Å; E289-S292 WeakPolarHBondContact O-CB 3.41Å; E289-S292 PolarHBondContact O-N 3.1Å; E289-S292 VanDerWaalsContact O-N 3.08Å; E289-Y293 HydrophobicContact CB-CD2 4.33Å; E289-Y293 HydrophobicContact CB-CE2 3.98Å; E289-Y293 WeakPolarHBondContact O-CD2 3.28Å; E289-Y293 PolarHBondContact O-N 2.93Å
290L85.5Confident77.5Confident115 Ų115102.1 Ų102.160%0.60248%0.477SS*.Hα-helixtrans-59.5-41176.9-177.866.5000112.1L286 L294L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 PolarHBondContact O-N 3.04Å; L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 3.44Å
291R78.2Confident77.7Confident152 Ų152101.1 Ų101.157%0.57448%0.478SS*.Hα-helixtrans-67-38174.4-74.9179.2-168.3-167.58.2111.9E287 E288 E289 L294 N295E287-R291 WeakPolarHBondContact O-CB 3.22Å; E287-R291 VanDerWaalsContact O-CG 3.31Å; E287-R291 WeakPolarHBondContact O-CG 3.33Å; E287-R291 PolarHBondContact O-N 3.41Å; E288-R291 PolarHBondContact O-N 3.36Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.41Å; R291-L294 PolarHBondContact O-N 2.98Å; R291-N295 WeakPolarHBondContact O-CB 3.39Å; R291-N295 VanDerWaalsContact O-CG 3.24Å; R291-N295 PolarHBondContact O-N 2.89Å; R291-N295 PolarHBondContact O-ND2 2.85Å
292S79.3Confident77.4Confident50 Ų5098.1 Ų98.135%0.3547%0.471SS..Hα-helixtrans-62.2-50.3175-167.20000110.9E288 E289 L294 N295 W296E288-S292 WeakPolarHBondContact O-CB 3.23Å; E288-S292 PolarHBondContact O-N 2.62Å; E289-S292 CarbonylContact O-C 3.58Å; E289-S292 WeakPolarHBondContact O-CA 3.32Å; E289-S292 WeakPolarHBondContact O-CB 3.41Å; E289-S292 PolarHBondContact O-N 3.1Å; E289-S292 VanDerWaalsContact O-N 3.08Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.1Å; S292-N295 WeakPolarHBondContact O-CB 3.18Å; S292-N295 PolarHBondContact O-N 3.32Å; S292-N295 VanDerWaalsContact O-N 3.13Å; S292-W296 PolarHBondContact O-N 3.22Å
293Y87.2Confident76.8Confident129 Ų12997.9 Ų97.951%0.50647%0.472SS..Hα-helixtrans-58.9-42.8174.9-68.5-55.7000111.9E289 N295 W296 I297E289-Y293 HydrophobicContact CB-CD2 4.33Å; E289-Y293 HydrophobicContact CB-CE2 3.98Å; E289-Y293 WeakPolarHBondContact O-CD2 3.28Å; E289-Y293 PolarHBondContact O-N 2.93Å; Y293-N295 VanDerWaalsContact C-N 3.34Å; Y293-N295 PolarHBondContact O-N 3.35Å; Y293-W296 HydrophobicContact CD1-CE3 4.16Å; Y293-W296 HydrophobicContact CD1-CZ3 4.38Å; Y293-W296 HydrophobicContact CE1-CE3 4.47Å; Y293-W296 HydrophobicContact CE1-CZ3 4.24Å; Y293-W296 PolarHBondContact O-N 2.87Å; Y293-I297 VanDerWaalsContact O-CG1 3.26Å; Y293-I297 WeakPolarHBondContact O-CG1 3.44Å; Y293-I297 PolarHBondContact O-N 3.25Å
294L79.7Confident75.8Confident70 Ų7096.4 Ų96.437%0.36647%0.47SS..Hα-helixtrans-63-40.6176.4-170.770.2000111.8L290 R291 S292 I297 M298 I427L290-L294 WeakPolarHBondContact O-CB 3.45Å; L290-L294 PolarHBondContact O-N 3.44Å; R291-L294 PolarHBondContact O-N 2.98Å; S292-L294 VanDerWaalsContact C-N 3.33Å; S292-L294 PolarHBondContact O-N 3.1Å; L294-I297 PolarHBondContact O-N 3.04Å; L294-M298 HydrophobicContact CG-SD 4.19Å; L294-M298 WeakPolarHBondContact O-CB 3.41Å; L294-M298 VanDerWaalsContact O-CG 3.26Å; L294-M298 WeakPolarHBondContact O-CG 3.12Å; L294-M298 PolarHBondContact O-N 2.72Å; L294-I427 HydrophobicContact CD2-CD1 4.39Å; L294-I427 HydrophobicContact CD2-CG2 4.45Å
295N76.3Confident75.1Confident92 Ų9297.7 Ų97.749%0.49248%0.475SS..Hα-helixtrans-64.8-39.6175.2-73.8-31.1000111.9R291 S292 Y293 M298 Q299R291-N295 WeakPolarHBondContact O-CB 3.39Å; R291-N295 VanDerWaalsContact O-CG 3.24Å; R291-N295 PolarHBondContact O-N 2.89Å; R291-N295 PolarHBondContact O-ND2 2.85Å; S292-N295 WeakPolarHBondContact O-CB 3.18Å; S292-N295 PolarHBondContact O-N 3.32Å; S292-N295 VanDerWaalsContact O-N 3.13Å; Y293-N295 VanDerWaalsContact C-N 3.34Å; Y293-N295 PolarHBondContact O-N 3.35Å; N295-M298 PolarHBondContact O-N 3.05Å; N295-Q299 VanDerWaalsContact O-CB 3.23Å; N295-Q299 WeakPolarHBondContact O-CB 3.24Å; N295-Q299 PolarHBondContact O-N 3.36Å
296W79Confident74Confident165 Ų16594.4 Ų94.463%0.62546%0.462SS*.Hα-helixtrans-64.2-43.5174.3-72.2-1.5000111.9S292 Y293 Q299 A300S292-W296 PolarHBondContact O-N 3.22Å; Y293-W296 HydrophobicContact CD1-CE3 4.16Å; Y293-W296 HydrophobicContact CD1-CZ3 4.38Å; Y293-W296 HydrophobicContact CE1-CE3 4.47Å; Y293-W296 HydrophobicContact CE1-CZ3 4.24Å; Y293-W296 PolarHBondContact O-N 2.87Å; W296-Q299 PolarHBondContact O-N 2.95Å; W296-A300 VanDerWaalsContact O-CB 3.29Å; W296-A300 WeakPolarHBondContact O-CB 3.32Å; W296-A300 PolarHBondContact O-N 3.43Å
297I78.9Confident72.8Confident96 Ų9693 Ų9349%0.49246%0.455SS..Hα-helixtrans-59.6-49.2175-68.1164.1000110Y293 L294 Q299 A300 E301Y293-I297 VanDerWaalsContact O-CG1 3.26Å; Y293-I297 WeakPolarHBondContact O-CG1 3.44Å; Y293-I297 PolarHBondContact O-N 3.25Å; L294-I297 PolarHBondContact O-N 3.04Å; I297-Q299 VanDerWaalsContact C-N 3.31Å; I297-Q299 PolarHBondContact O-N 3.31Å; I297-A300 PolarHBondContact O-N 3.43Å; I297-E301 PolarHBondContact O-N 3.48Å
298M67.9Low71.6Confident31 Ų3189.7 Ų89.715%0.15345%0.447CS..Hα-helixtrans-62.7-37.3178.3-73.9174.249.600112.6L294 N295 D302 N424 I427L294-M298 HydrophobicContact CG-SD 4.19Å; L294-M298 WeakPolarHBondContact O-CB 3.41Å; L294-M298 VanDerWaalsContact O-CG 3.26Å; L294-M298 WeakPolarHBondContact O-CG 3.12Å; L294-M298 PolarHBondContact O-N 2.72Å; N295-M298 PolarHBondContact O-N 3.05Å; M298-D302 PolarHBondContact O-N 3.09Å; M298-D302 VanDerWaalsContact O-N 3.11Å; M298-N424 HydrophobicContact CE-CB 3.77Å; M298-N424 WeakPolarHBondContact CE-OD1 3.34Å; M298-I427 HydrophobicContact CE-CD1 4.42Å; M298-I427 HydrophobicContact SD-CD1 3.72Å
299Q72.1Confident70.4Confident123 Ų12387.4 Ų87.458%0.57544%0.439SS*.Hα-helixtrans-71.9-34.2176.8-173.6169.8-5.400111.7N295 W296 I297 D302 I303N295-Q299 VanDerWaalsContact O-CB 3.23Å; N295-Q299 WeakPolarHBondContact O-CB 3.24Å; N295-Q299 PolarHBondContact O-N 3.36Å; W296-Q299 PolarHBondContact O-N 2.95Å; I297-Q299 VanDerWaalsContact C-N 3.31Å; I297-Q299 PolarHBondContact O-N 3.31Å; Q299-D302 WeakPolarHBondContact O-CB 3.4Å; Q299-D302 PolarHBondContact O-N 3.26Å; Q299-I303 HydrophobicContact CG-CD1 4.3Å; Q299-I303 WeakPolarHBondContact O-CD1 3.37Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.47Å; Q299-I303 PolarHBondContact O-N 3.19Å; Q299-I303 VanDerWaalsContact O-N 3.14Å
300A74.3Confident68.9Low45 Ų4589 Ų8937%0.37245%0.446SS..Hα-helixtrans-69.7-42.1174.500000111.7W296 I297 D302 I303 L304W296-A300 VanDerWaalsContact O-CB 3.29Å; W296-A300 WeakPolarHBondContact O-CB 3.32Å; W296-A300 PolarHBondContact O-N 3.43Å; I297-A300 PolarHBondContact O-N 3.43Å; A300-D302 VanDerWaalsContact C-N 3.27Å; A300-D302 PolarHBondContact O-N 3.49Å; A300-I303 PolarHBondContact O-N 3Å; A300-I303 VanDerWaalsContact O-N 3.08Å; A300-L304 WeakPolarHBondContact O-CB 3.46Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.1Å
301E67.3Low67.4Low117 Ų11790 Ų9055%0.54745%0.447SS..Hα-helixtrans-58.1-40.8171.4-75.3-179.3166.700111.3I297 I303 D305I297-E301 PolarHBondContact O-N 3.48Å; E301-I303 VanDerWaalsContact C-N 3.29Å; E301-I303 PolarHBondContact O-N 3.27Å; E301-D305 PolarHBondContact O-N 3.3Å
302D63.2Low66.2Low56 Ų5686.4 Ų86.430%0.29944%0.439SS..Hα-helixtrans-65.2-27.5175.4-88.3-12.9000113.7M298 Q299 A300 V306 R360M298-D302 PolarHBondContact O-N 3.09Å; M298-D302 VanDerWaalsContact O-N 3.11Å; Q299-D302 WeakPolarHBondContact O-CB 3.4Å; Q299-D302 PolarHBondContact O-N 3.26Å; A300-D302 VanDerWaalsContact C-N 3.27Å; A300-D302 PolarHBondContact O-N 3.49Å; D302-V306 WeakPolarHBondContact O-CG2 3.5Å; D302-R360 IonicContact OD1-CZ 2.83Å; D302-R360 IonicContact OD1-NH1 3.78Å; D302-R360 PolarHBondContact OD1-NH1 3.47Å; D302-R360 IonicContact OD1-NH2 3.75Å; D302-R360 IonicContact OD2-CZ 3.62Å; D302-R360 IonicContact OD2-NH1 3.7Å; D302-R360 PolarHBondContact OD2-NH1 3.44Å
303I66.6Low64.8Low88 Ų8890.1 Ų90.145%0.45145%0.446SS..Hα-helixtrans-86-41.1177.7-66.1162.4000110.8Q299 A300 E301 D305 V306 D307Q299-I303 HydrophobicContact CG-CD1 4.3Å; Q299-I303 WeakPolarHBondContact O-CD1 3.37Å; Q299-I303 VanDerWaalsContact O-CG1 3.27Å; Q299-I303 WeakPolarHBondContact O-CG1 3.47Å; Q299-I303 PolarHBondContact O-N 3.19Å; Q299-I303 VanDerWaalsContact O-N 3.14Å; A300-I303 PolarHBondContact O-N 3Å; A300-I303 VanDerWaalsContact O-N 3.08Å; E301-I303 VanDerWaalsContact C-N 3.29Å; E301-I303 PolarHBondContact O-N 3.27Å; I303-D305 VanDerWaalsContact C-N 3.25Å; I303-D305 PolarHBondContact O-N 3.14Å; I303-V306 WeakPolarHBondContact O-CA 3.31Å; I303-V306 VanDerWaalsContact O-CB 3.26Å; I303-V306 WeakPolarHBondContact O-CB 3.47Å; I303-V306 PolarHBondContact O-N 3.32Å; I303-D307 PolarHBondContact O-N 3.26Å
304L59.2Low63.3Low113 Ų11389.6 Ų89.659%0.59245%0.448SS*.Hα-helixtrans-60.2-36177.5-76.8163.2000112.1A300 V306 D307 A308A300-L304 WeakPolarHBondContact O-CB 3.46Å; A300-L304 WeakPolarHBondContact O-CG 3.42Å; A300-L304 PolarHBondContact O-N 3.1Å; L304-V306 PolarHBondContact O-N 3.23Å; L304-D307 PolarHBondContact O-N 3.46Å; L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 2.86Å
305D57.4Low61.9Low95 Ų9593.7 Ų93.751%0.50847%0.467SS..Hα-helixtrans-60.9-31.9170.9-91.6-6.8000111.8E301 I303 D309E301-D305 PolarHBondContact O-N 3.3Å; I303-D305 VanDerWaalsContact C-N 3.25Å; I303-D305 PolarHBondContact O-N 3.14Å; D305-D309 WeakPolarHBondContact O-CB 3.43Å; D305-D309 PolarHBondContact O-N 3.06Å
306V55.4Low60.7Low40 Ų4094.9 Ų94.924%0.24247%0.47CS..Hα-helixtrans-75.5-43.4177.8-178.80000111.5D302 I303 L304 D309 Q310D302-V306 WeakPolarHBondContact O-CG2 3.5Å; I303-V306 WeakPolarHBondContact O-CA 3.31Å; I303-V306 VanDerWaalsContact O-CB 3.26Å; I303-V306 WeakPolarHBondContact O-CB 3.47Å; I303-V306 PolarHBondContact O-N 3.32Å; L304-V306 PolarHBondContact O-N 3.23Å; V306-D309 PolarHBondContact O-N 3.18Å; V306-Q310 WeakPolarHBondContact O-CB 3.44Å; V306-Q310 PolarHBondContact O-N 3.32Å
307D57.9Low59.3Low83 Ų8392 Ų9244%0.44447%0.471SS..Hα-helixtrans-67.8-40.8-179.4-67.5-26000110.9I303 L304 D309 Q310 E311I303-D307 PolarHBondContact O-N 3.26Å; L304-D307 PolarHBondContact O-N 3.46Å; D307-D309 VanDerWaalsContact C-N 3.31Å; D307-D309 PolarHBondContact O-N 3.4Å; D307-Q310 PolarHBondContact O-N 3.47Å; D307-Q310 VanDerWaalsContact O-N 3.14Å; D307-E311 PolarHBondContact O-N 3.37Å
308A54.6Low57.6Low44 Ų4491.3 Ų91.336%0.36448%0.475SS..Hα-helixtrans-62.8-37.6173.300000112.2L304 Q310 I312L304-A308 WeakPolarHBondContact O-CB 3.4Å; L304-A308 PolarHBondContact O-N 2.86Å; A308-Q310 VanDerWaalsContact C-N 3.31Å; A308-I312 WeakPolarHBondContact O-CD1 3.43Å; A308-I312 WeakPolarHBondContact O-CG1 3.32Å; A308-I312 PolarHBondContact O-N 2.97Å
309D52.5Low56Low58 Ų5897.1 Ų97.131%0.3151%0.506SS..Hα-helixtrans-67.9-32.9174.9-78.2-24.8000112.2D305 V306 D307 Y313 L353D305-D309 WeakPolarHBondContact O-CB 3.43Å; D305-D309 PolarHBondContact O-N 3.06Å; V306-D309 PolarHBondContact O-N 3.18Å; D307-D309 VanDerWaalsContact C-N 3.31Å; D307-D309 PolarHBondContact O-N 3.4Å; D309-Y313 PolarHBondContact O-N 3.37Å; D309-L353 WeakPolarHBondContact OD2-CD1 3.37Å
310Q54.6Low54.5Low108 Ų108100.4 Ų100.451%0.50552%0.521SS..Hα-helixtrans-74.3-39.9179-150.2157.5-3300110.9V306 D307 A308 I312 Y313 E314V306-Q310 WeakPolarHBondContact O-CB 3.44Å; V306-Q310 PolarHBondContact O-N 3.32Å; D307-Q310 PolarHBondContact O-N 3.47Å; D307-Q310 VanDerWaalsContact O-N 3.14Å; A308-Q310 VanDerWaalsContact C-N 3.31Å; Q310-I312 PolarHBondContact O-N 3Å; Q310-Y313 PolarHBondContact O-N 3.45Å; Q310-E314 WeakPolarHBondContact O-CG 3.21Å; Q310-E314 PolarHBondContact O-N 2.87Å
311E53.6Low52.6Low135 Ų135105 Ų10563%0.63154%0.54SS*.Hα-helixtrans-62.8-38.6170.5-75-173.916800112.3D307 Y313 E314 M315D307-E311 PolarHBondContact O-N 3.37Å; E311-Y313 VanDerWaalsContact C-N 3.33Å; E311-Y313 PolarHBondContact O-N 3.26Å; E311-E314 PolarHBondContact O-N 3.29Å; E311-M315 WeakPolarHBondContact O-CB 3.36Å; E311-M315 WeakPolarHBondContact O-CG 3.45Å; E311-M315 PolarHBondContact O-N 3.1Å
312I53.8Low51.2Low76 Ų76104.2 Ų104.239%0.3955%0.553SS.*Hα-helixtrans-65.7-37.4175-68.7164.5000111A308 Q310 E316A308-I312 WeakPolarHBondContact O-CD1 3.43Å; A308-I312 WeakPolarHBondContact O-CG1 3.32Å; A308-I312 PolarHBondContact O-N 2.97Å; Q310-I312 PolarHBondContact O-N 3Å; I312-E316 PolarHBondContact O-N 2.88Å; I312-E316 VanDerWaalsContact O-N 3.07Å
313Y50.3Low49.8Very low129 Ų129108.3 Ų108.351%0.50658%0.58SS.*Hα-helixtrans-71.2-35.8177.3-138.3-95.6000112.5D309 Q310 E311 T317 I350D309-Y313 PolarHBondContact O-N 3.37Å; Q310-Y313 PolarHBondContact O-N 3.45Å; E311-Y313 VanDerWaalsContact C-N 3.33Å; E311-Y313 PolarHBondContact O-N 3.26Å; Y313-T317 PolarHBondContact O-N 2.97Å; Y313-T317 PolarHBondContact O-OG1 2.99Å; Y313-I350 HydrophobicContact CD2-CD1 4.36Å; Y313-I350 HydrophobicContact CE2-CD1 4.28Å
314E54.5Low48.2Very low118 Ų118113.8 Ų113.855%0.55160%0.601SS**Hα-helixtrans-73.2-33.4175.1-73.7-179.2-17800112Q310 E311 T317 S318Q310-E314 WeakPolarHBondContact O-CG 3.21Å; Q310-E314 PolarHBondContact O-N 2.87Å; E311-E314 PolarHBondContact O-N 3.29Å; E314-T317 PolarHBondContact O-N 3.39Å; E314-T317 PolarHBondContact O-OG1 2.95Å; E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.25Å; E314-S318 PolarHBondContact O-OG 3.37Å
315M51Low47.3Very low155 Ų155115 Ų11576%0.76461%0.612SS**Hα-helixtrans-68.2-35.5171.4-84.5-173.471.300113.1E311 T317E311-M315 WeakPolarHBondContact O-CB 3.36Å; E311-M315 WeakPolarHBondContact O-CG 3.45Å; E311-M315 PolarHBondContact O-N 3.1Å; M315-T317 PolarHBondContact O-N 2.97Å
316E49.9Very low46.5Very low117 Ų117116.6 Ų116.655%0.54763%0.625SS.*Hα-helixtrans-73.5-15.6177.7-84.8-172.8167.900113.6I312I312-E316 PolarHBondContact O-N 2.88Å; I312-E316 VanDerWaalsContact O-N 3.07Å
317T50Low45.4Very low106 Ų106121.8 Ų121.865%0.6565%0.647SS**Hα-helixtrans-101.6-6.8-179.2440000114Y313 E314 M315Y313-T317 PolarHBondContact O-N 2.97Å; Y313-T317 PolarHBondContact O-OG1 2.99Å; E314-T317 PolarHBondContact O-N 3.39Å; E314-T317 PolarHBondContact O-OG1 2.95Å; M315-T317 PolarHBondContact O-N 2.97Å
318S42.8Very low44.2Very low81 Ų81127 Ų12757%0.56666%0.662SS**SBendtrans-12889.1-170.3-42.40000111.6E314E314-S318 WeakPolarHBondContact O-CB 3.42Å; E314-S318 PolarHBondContact O-N 3.25Å; E314-S318 PolarHBondContact O-OG 3.37Å
319D35.7Very low43.2Very low153 Ų153131.2 Ų131.282%0.81868%0.683SS**  trans71.8124.7158.4-83-27.6000122.3N321D319-N321 PolarHBondContact O-N 3.42Å
320E39.8Very low42.3Very low191 Ų191135.2 Ų135.289%0.89371%0.709SS**SBendtrans-59.915167.7-69.9-177.4125.800115.7
321N35Very low41.2Very low142 Ų142138.8 Ų138.876%0.75973%0.726SS**  trans-145.871-168-74.4-50.7000115.3D319D319-N321 PolarHBondContact O-N 3.42Å
322A37Very low40.1Very low100 Ų100140 Ų14083%0.82673%0.731SS**  trans-160.171.7161.600000113.3
323V35.3Very low39.1Very low143 Ų143147.8 Ų147.887%0.86776%0.756SS**  trans-120.999.8167.7179.30000108.6
324K31.8Very low38.6Very low203 Ų203149.3 Ų149.388%0.88377%0.771SS**  trans-179.881.2163-104.3172.1-171.3-179.30112.9
325V40Very low37.7Very low138 Ų138149.7 Ų149.784%0.83679%0.787SS**  trans-154.393.2156.2-174.60000105.8
326V40.3Very low37.2Very low128 Ų128154.1 Ų154.178%0.77680%0.795SS**  44.9121.496.1-175.20000111.3
327E32.5Very low36.6Very low149 Ų149153.3 Ų153.370%0.69680%0.801SS**  cis179.5157.3-4.9-165.3175.2-172.700104.6
328Y33.5Very low36.6Very low194 Ų194151.5 Ų151.576%0.76179%0.793SS**  trans93.1113.4167.6-74.7-86.3000121.8
329T34.3Very low36.8Very low131 Ų131158.8 Ų158.880%0.80481%0.808SS**SBendtrans105.4119.7152.468.30000119.6
330V32.4Very low37.2Very low143 Ų143160.4 Ų160.487%0.86780%0.803SS**  trans85.174.2167.7-158.30000116.9
331E32.4Very low37.6Very low182 Ų182153.7 Ų153.785%0.8578%0.776SS**  trans-69.3148.1160.4-67176.8137.400112.7
332H29Very low38.3Very low161 Ų161152 Ų15275%0.74577%0.765SS**SBend132.110122.4-146.6-80.3000119.3
333W34Very low39.2Very low240 Ų240150.4 Ų150.491%0.90975%0.745SS**SBendtrans-1325.4178.6-92.789.3000120.1
334I38.8Very low40.2Very low161 Ų161147.2 Ų147.283%0.82672%0.723SS**SBendtrans-113.9-8.4-173.7-62.8179.7000115.7R336I334-R336 PolarHBondContact O-N 3.37Å
335S37.1Very low41.2Very low126 Ų126143.7 Ų143.788%0.88171%0.711SS**THydrogen-bonded Turntrans-95.439.2-164.787.80000118.6
336R39.2Very low42.1Very low248 Ų248140.3 Ų140.394%0.93669%0.687SS**THydrogen-bonded Turntrans-137.62.4175.8-139.5172.5177.6161.2-0.6119.1I334 S338I334-R336 PolarHBondContact O-N 3.37Å; R336-S338 PolarHBondContact O-N 2.95Å
337C38Very low43Very low100 Ų100141.6 Ų141.668%0.67668%0.682SS**SBendtrans-93.3109173.8-129.40000111.1
338S49.5Very low44.2Very low68 Ų68141.7 Ų141.748%0.47668%0.68SS.*  trans-1.9122.4170.1171.70000116.5R336 W340 C341 M342R336-S338 PolarHBondContact O-N 2.95Å; S338-W340 PolarHBondContact O-N 3.45Å; S338-W340 WeakPolarHBondContact OG-CB 3.23Å; S338-W340 PolarHBondContact OG-N 3.03Å; S338-C341 WeakPolarHBondContact O-CA 3.16Å; S338-C341 WeakPolarHBondContact O-CB 2.95Å; S338-C341 PolarHBondContact O-N 3.35Å; S338-M342 PolarHBondContact O-N 3Å
339R46.4Very low45.6Very low234 Ų234141.2 Ų141.288%0.88368%0.677SS**Hα-helixtrans-47.8-27.5172.2-147.5177.5-65.8177.9-0.3112.9T343R339-T343 PolarHBondContact O-N 3.27Å; R339-T343 PolarHBondContact O-OG1 3.5Å; R339-T343 VanDerWaalsContact O-OG1 3.12Å
340W45.4Very low47.1Very low186 Ų186137 Ų13771%0.70565%0.649SS**Hα-helixtrans-74.5-36.3176-167.575.7000113.8S338 T343 N344S338-W340 PolarHBondContact O-N 3.45Å; S338-W340 WeakPolarHBondContact OG-CB 3.23Å; S338-W340 PolarHBondContact OG-N 3.03Å; W340-T343 PolarHBondContact O-OG1 3.1Å; W340-N344 PolarHBondContact O-N 3.39Å
341C47.1Very low48.6Very low50 Ų50133.4 Ų133.434%0.33863%0.63SS.*Hα-helixtrans-68.5-39.7175.3-170.20000110.9S338 N344 M345S338-C341 WeakPolarHBondContact O-CA 3.16Å; S338-C341 WeakPolarHBondContact O-CB 2.95Å; S338-C341 PolarHBondContact O-N 3.35Å; C341-N344 PolarHBondContact O-N 2.96Å; C341-M345 WeakPolarHBondContact O-CB 3.37Å; C341-M345 WeakPolarHBondContact O-CG 3.02Å; C341-M345 PolarHBondContact O-N 3.46Å
342M50.3Low50.5Low107 Ų107127.1 Ų127.153%0.52760%0.603SS.*Hα-helixtrans-63-45.8176.7-75.4-74.8-78.100112.2S338 N344 M345 Q346S338-M342 PolarHBondContact O-N 3Å; M342-N344 PolarHBondContact O-N 3.31Å; M342-M345 PolarHBondContact O-N 2.84Å; M342-Q346 WeakPolarHBondContact O-CB 3.33Å; M342-Q346 PolarHBondContact O-N 3.39Å
343T55.8Low52.3Low66 Ų66121.5 Ų121.541%0.40558%0.578SS.*Hα-helixtrans-65.7-38.3177.640.10000113.1R339 W340 K347R339-T343 PolarHBondContact O-N 3.27Å; R339-T343 PolarHBondContact O-OG1 3.5Å; R339-T343 VanDerWaalsContact O-OG1 3.12Å; W340-T343 PolarHBondContact O-OG1 3.1Å; T343-K347 WeakPolarHBondContact O-CG 3.32Å; T343-K347 PolarHBondContact O-N 3.47Å; T343-K347 VanDerWaalsContact O-N 3.09Å
344N55.7Low54.1Low77 Ų77116.6 Ų116.641%0.41256%0.563SS.*Hα-helixtrans-72.9-36175.3-87.3-10.2000112W340 C341 M342 F348W340-N344 PolarHBondContact O-N 3.39Å; C341-N344 PolarHBondContact O-N 2.96Å; M342-N344 PolarHBondContact O-N 3.31Å; N344-F348 WeakPolarHBondContact O-CB 3.38Å; N344-F348 PolarHBondContact O-N 3.32Å
345M53.3Low56Low128 Ų128112.5 Ų112.563%0.63155%0.545SS*.Hα-helixtrans-67.7-39.3174.8-75-91.6-98.600111.8C341 M342 F348 R349C341-M345 WeakPolarHBondContact O-CB 3.37Å; C341-M345 WeakPolarHBondContact O-CG 3.02Å; C341-M345 PolarHBondContact O-N 3.46Å; M342-M345 PolarHBondContact O-N 2.84Å; M345-F348 PolarHBondContact O-N 3.21Å; M345-R349 VanDerWaalsContact O-CB 3.3Å; M345-R349 WeakPolarHBondContact O-CB 3.48Å; M345-R349 PolarHBondContact O-N 3Å
346Q58.7Low57.9Low68 Ų68110 Ų11032%0.31852%0.516SS..Hα-helixtrans-65.4-45.7174.2-88.3172.9-65.300111.8M342 F348 R349 I350M342-Q346 WeakPolarHBondContact O-CB 3.33Å; M342-Q346 PolarHBondContact O-N 3.39Å; Q346-F348 VanDerWaalsContact C-N 3.29Å; Q346-F348 PolarHBondContact O-N 2.88Å; Q346-R349 WeakPolarHBondContact O-CB 3.41Å; Q346-R349 PolarHBondContact O-N 2.88Å; Q346-R349 VanDerWaalsContact O-N 3.09Å; Q346-I350 WeakPolarHBondContact O-CG1 3.41Å; Q346-I350 PolarHBondContact O-N 2.72Å
347K58.8Low59.5Low155 Ų155105.3 Ų105.367%0.67450%0.499SS*.Hα-helixtrans-59.6-41173.3-76.2-178.8-179.91790111.9T343 R349 S351T343-K347 WeakPolarHBondContact O-CG 3.32Å; T343-K347 PolarHBondContact O-N 3.47Å; T343-K347 VanDerWaalsContact O-N 3.09Å; K347-R349 VanDerWaalsContact C-N 3.35Å; K347-S351 VanDerWaalsContact O-CB 3.32Å; K347-S351 WeakPolarHBondContact O-CB 3.32Å; K347-S351 PolarHBondContact O-N 3.03Å
348F58.8Low61.5Low151 Ų151108.8 Ų108.866%0.66250%0.499SS*.Hα-helixtrans-65.4-38.1175.1-152-94.3000111.5N344 M345 Q346 S351 N352N344-F348 WeakPolarHBondContact O-CB 3.38Å; N344-F348 PolarHBondContact O-N 3.32Å; M345-F348 PolarHBondContact O-N 3.21Å; Q346-F348 VanDerWaalsContact C-N 3.29Å; Q346-F348 PolarHBondContact O-N 2.88Å; F348-S351 PolarHBondContact O-N 3.18Å; F348-N352 WeakPolarHBondContact O-CB 3.15Å; F348-N352 PolarHBondContact O-N 3.25Å
349R62.7Low62.9Low183 Ų183106 Ų10669%0.69148%0.481SS*.Hα-helixtrans-65.6-49178-156.3175.6-176.6-179.5-2111.5M345 Q346 K347 S351 N352 L353M345-R349 VanDerWaalsContact O-CB 3.3Å; M345-R349 WeakPolarHBondContact O-CB 3.48Å; M345-R349 PolarHBondContact O-N 3Å; Q346-R349 WeakPolarHBondContact O-CB 3.41Å; Q346-R349 PolarHBondContact O-N 2.88Å; Q346-R349 VanDerWaalsContact O-N 3.09Å; K347-R349 VanDerWaalsContact C-N 3.35Å; R349-S351 VanDerWaalsContact C-N 3.35Å; R349-S351 PolarHBondContact O-N 3.04Å; R349-N352 WeakPolarHBondContact O-CB 3.4Å; R349-N352 PolarHBondContact O-N 3.36Å; R349-N352 VanDerWaalsContact O-N 3.17Å; R349-L353 HydrophobicContact CG-CD1 4.25Å; R349-L353 WeakPolarHBondContact O-CD1 3.47Å; R349-L353 WeakPolarHBondContact O-CG 3.13Å; R349-L353 PolarHBondContact O-N 3.21Å
350I64.6Low64.5Low43 Ų4397.2 Ų97.222%0.22145%0.447CS..Hα-helixtrans-62-42.5176.1-65169.7000110.8Y313 Q346 N352 L353 K354Y313-I350 HydrophobicContact CD2-CD1 4.36Å; Y313-I350 HydrophobicContact CE2-CD1 4.28Å; Q346-I350 WeakPolarHBondContact O-CG1 3.41Å; Q346-I350 PolarHBondContact O-N 2.72Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3.22Å; I350-L353 PolarHBondContact O-N 3.47Å; I350-K354 WeakPolarHBondContact O-CG 3.29Å; I350-K354 PolarHBondContact O-N 2.66Å
351S66Low66.2Low67 Ų6794.5 Ų94.547%0.46944%0.444SS..Hα-helixtrans-63.1-41.4175.3-169.30000111.7K347 F348 R349 K354 V355K347-S351 VanDerWaalsContact O-CB 3.32Å; K347-S351 WeakPolarHBondContact O-CB 3.32Å; K347-S351 PolarHBondContact O-N 3.03Å; F348-S351 PolarHBondContact O-N 3.18Å; R349-S351 VanDerWaalsContact C-N 3.35Å; R349-S351 PolarHBondContact O-N 3.04Å; S351-K354 PolarHBondContact O-N 3.35Å; S351-V355 VanDerWaalsContact O-CG2 3.26Å; S351-V355 WeakPolarHBondContact O-CG2 3.36Å; S351-V355 PolarHBondContact O-N 3.45Å
352N70.4Confident68Low51 Ų5195.6 Ų95.627%0.27345%0.446SS..Hα-helixtrans-65.6-39.4178.5-163.7-14.4000111.1F348 R349 I350 V355 R356 Y418F348-N352 WeakPolarHBondContact O-CB 3.15Å; F348-N352 PolarHBondContact O-N 3.25Å; R349-N352 WeakPolarHBondContact O-CB 3.4Å; R349-N352 PolarHBondContact O-N 3.36Å; R349-N352 VanDerWaalsContact O-N 3.17Å; I350-N352 VanDerWaalsContact C-N 3.34Å; I350-N352 PolarHBondContact O-N 3.22Å; N352-V355 PolarHBondContact O-N 3.07Å; N352-R356 WeakPolarHBondContact O-CB 3.29Å; N352-R356 VanDerWaalsContact O-CG 3.26Å; N352-R356 WeakPolarHBondContact O-CG 3.4Å; N352-R356 PolarHBondContact O-N 2.87Å; N352-Y418 VanDerWaalsContact OD1-CZ 3.29Å; N352-Y418 PolarHBondContact OD1-OH 3.09Å
353L67.3Low69.6Low42 Ų4291.4 Ų91.422%0.2243%0.426CS..Hα-helixtrans-63.4-45.4173-77.9150.5000112.2D309 R349 I350 V355 R356 R357D309-L353 WeakPolarHBondContact OD2-CD1 3.37Å; R349-L353 HydrophobicContact CG-CD1 4.25Å; R349-L353 WeakPolarHBondContact O-CD1 3.47Å; R349-L353 WeakPolarHBondContact O-CG 3.13Å; R349-L353 PolarHBondContact O-N 3.21Å; I350-L353 PolarHBondContact O-N 3.47Å; L353-V355 PolarHBondContact O-N 2.94Å; L353-R356 PolarHBondContact O-N 2.6Å; L353-R357 WeakPolarHBondContact O-CB 3.46Å; L353-R357 PolarHBondContact O-N 2.92Å
354K73.2Confident70.7Confident137 Ų13796.7 Ų96.760%0.59644%0.443SS*.Hα-helixtrans-60.5-44.3174.5-75-178.2-178.5179.50112.2I350 S351 R357 Y358I350-K354 WeakPolarHBondContact O-CG 3.29Å; I350-K354 PolarHBondContact O-N 2.66Å; S351-K354 PolarHBondContact O-N 3.35Å; K354-R357 PolarHBondContact O-N 3.07Å; K354-Y358 PolarHBondContact O-N 3.47Å
355V76.9Confident72.1Confident75 Ų7595 Ų9546%0.45544%0.437SS..Hα-helixtrans-64.5-42.5177.2173.40000111S351 N352 L353 R357 Y358 G359 Y418S351-V355 VanDerWaalsContact O-CG2 3.26Å; S351-V355 WeakPolarHBondContact O-CG2 3.36Å; S351-V355 PolarHBondContact O-N 3.45Å; N352-V355 PolarHBondContact O-N 3.07Å; L353-V355 PolarHBondContact O-N 2.94Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.03Å; V355-Y358 PolarHBondContact O-N 3.15Å; V355-G359 PolarHBondContact O-N 3.34Å; V355-Y418 HydrophobicContact CG1-CE1 4.04Å
356R77.7Confident73.7Confident74 Ų7495 Ų9528%0.27944%0.436SS..Hα-helixtrans-63.4-38.2174.8-71.7177.898.2-167.43.9111.8N352 L353 G359 R360 Y418N352-R356 WeakPolarHBondContact O-CB 3.29Å; N352-R356 VanDerWaalsContact O-CG 3.26Å; N352-R356 WeakPolarHBondContact O-CG 3.4Å; N352-R356 PolarHBondContact O-N 2.87Å; L353-R356 PolarHBondContact O-N 2.6Å; R356-G359 PolarHBondContact O-N 3.04Å; R356-R360 WeakPolarHBondContact O-CB 3.4Å; R356-R360 WeakPolarHBondContact O-CG 3.5Å; R356-R360 PolarHBondContact O-N 2.82Å; R356-Y418 HydrophobicContact CG-CE1 4.09Å; R356-Y418 HydrophobicContact CG-CE2 4.5Å; R356-Y418 PolarHBondContact NE-O 3.42Å; R356-Y418 PolarHBondContact NH2-O 3.25Å; R356-Y418 VanDerWaalsContact NH2-O 3.09Å
357R72.3Confident75Confident150 Ų15094.9 Ų94.957%0.56645%0.447SS*.Hα-helixtrans-64.7-48.9176.4-164.9175.2-170.2171.73.2111.8L353 K354 V355 G359 R360 M361L353-R357 WeakPolarHBondContact O-CB 3.46Å; L353-R357 PolarHBondContact O-N 2.92Å; K354-R357 PolarHBondContact O-N 3.07Å; V355-R357 VanDerWaalsContact C-N 3.33Å; V355-R357 PolarHBondContact O-N 3.03Å; R357-G359 VanDerWaalsContact C-N 3.33Å; R357-G359 PolarHBondContact O-N 3.46Å; R357-R360 PolarHBondContact O-N 3.47Å; R357-M361 PolarHBondContact O-N 3.04Å
358Y79.8Confident76.3Confident173 Ų17389.1 Ų89.168%0.67842%0.422SS*.Hα-helixtrans-63.2-40.7176.2-167.2-97.6000111.6K354 V355 R360 M361 L362K354-Y358 PolarHBondContact O-N 3.47Å; V355-Y358 PolarHBondContact O-N 3.15Å; Y358-R360 PolarHBondContact O-N 3.08Å; Y358-M361 PolarHBondContact O-N 3.35Å; Y358-L362 PolarHBondContact O-N 2.95Å
359G80.7Confident77.3Confident9 Ų985 Ų859%0.09340%0.402CS..Hα-helixtrans-62.7-39.2174.900000113.3V355 R356 R357 L362 I363 C419V355-G359 PolarHBondContact O-N 3.34Å; R356-G359 PolarHBondContact O-N 3.04Å; R357-G359 VanDerWaalsContact C-N 3.33Å; R357-G359 PolarHBondContact O-N 3.46Å; G359-L362 PolarHBondContact O-N 2.89Å; G359-I363 WeakPolarHBondContact O-CD1 3.16Å; G359-I363 VanDerWaalsContact O-CG1 3.31Å; G359-I363 WeakPolarHBondContact O-CG1 3.49Å; G359-I363 PolarHBondContact O-N 2.86Å; G359-C419 VanDerWaalsContact CA-SG 3.58Å
360R79.3Confident78.4Confident49 Ų4983.1 Ų83.119%0.18540%0.395CS..Hα-helixtrans-63.1-41.3172.5-78.1-168.4-97.3-154.5-1.7112D302 R356 R357 Y358 K364 C419D302-R360 IonicContact OD1-CZ 2.83Å; D302-R360 IonicContact OD1-NH1 3.78Å; D302-R360 PolarHBondContact OD1-NH1 3.47Å; D302-R360 IonicContact OD1-NH2 3.75Å; D302-R360 IonicContact OD2-CZ 3.62Å; D302-R360 IonicContact OD2-NH1 3.7Å; D302-R360 PolarHBondContact OD2-NH1 3.44Å; R356-R360 WeakPolarHBondContact O-CB 3.4Å; R356-R360 WeakPolarHBondContact O-CG 3.5Å; R356-R360 PolarHBondContact O-N 2.82Å; R357-R360 PolarHBondContact O-N 3.47Å; Y358-R360 PolarHBondContact O-N 3.08Å; R360-K364 WeakPolarHBondContact O-CB 3.48Å; R360-K364 WeakPolarHBondContact O-CG 3.42Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.11Å; R360-C419 WeakPolarHBondContact CD-O 3.3Å; R360-C419 HydrophobicContact CG-CB 4.28Å; R360-C419 WeakPolarHBondContact CG-O 3.29Å
361M81.6Confident79.4Confident130 Ų13084.5 Ų84.564%0.6441%0.406SS*.Hα-helixtrans-63.3-41.9174.4-73.5-170.8162.400111.9R357 Y358 K364 S365R357-M361 PolarHBondContact O-N 3.04Å; Y358-M361 PolarHBondContact O-N 3.35Å; M361-K364 PolarHBondContact O-N 2.93Å; M361-S365 PolarHBondContact O-N 3.19Å; M361-S365 VanDerWaalsContact O-N 3.12Å
362L85.1Confident80.2Confident72 Ų7281.5 Ų81.538%0.37738%0.384SS..Hα-helixtrans-65.1-45.5178.4-171.3142.2000112.1Y358 G359 K364 S365 F368 L415Y358-L362 PolarHBondContact O-N 2.95Å; G359-L362 PolarHBondContact O-N 2.89Å; L362-K364 VanDerWaalsContact C-N 3.29Å; L362-K364 PolarHBondContact O-N 3.32Å; L362-S365 VanDerWaalsContact O-CB 3.26Å; L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 2.96Å; L362-S365 VanDerWaalsContact O-N 3.07Å; L362-S365 PolarHBondContact O-OG 3.14Å; L362-F368 HydrophobicContact CD2-CD2 3.71Å; L362-F368 HydrophobicContact CD2-CE2 4.17Å; L362-F368 HydrophobicContact CD2-CG 4.42Å; L362-F368 VanDerWaalsContact O-CB 3.23Å; L362-F368 WeakPolarHBondContact O-CB 3.34Å; L362-L415 HydrophobicContact CD2-CD2 4.29Å
363I81.9Confident80.7Confident20 Ų2080.7 Ų80.710%0.10338%0.38CS..Hα-helixtrans-63.7-35.1178.3-68.8162.8000111.9G359 S365 F368 L415 K416 C419G359-I363 WeakPolarHBondContact O-CD1 3.16Å; G359-I363 VanDerWaalsContact O-CG1 3.31Å; G359-I363 WeakPolarHBondContact O-CG1 3.49Å; G359-I363 PolarHBondContact O-N 2.86Å; I363-S365 VanDerWaalsContact C-N 3.28Å; I363-F368 HydrophobicContact CG2-CE1 4.37Å; I363-L415 HydrophobicContact CD1-CG 4.34Å; I363-L415 HydrophobicContact CG1-CD2 4.35Å; I363-K416 HydrophobicContact CD1-CG 4.29Å; I363-K416 HydrophobicContact CG2-CG 4.45Å; I363-C419 HydrophobicContact CD1-CB 3.4Å
364K79.9Confident81.6Confident176 Ų17682.3 Ų82.377%0.76539%0.392SS*.THydrogen-bonded Turntrans-81.3-3.6176.5-71-173.5176.3-176.30113.5R360 M361 L362R360-K364 WeakPolarHBondContact O-CB 3.48Å; R360-K364 WeakPolarHBondContact O-CG 3.42Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.11Å; M361-K364 PolarHBondContact O-N 2.93Å; L362-K364 VanDerWaalsContact C-N 3.29Å; L362-K364 PolarHBondContact O-N 3.32Å
365S85.3Confident82.2Confident41 Ų4178.1 Ų78.129%0.28738%0.375SS..SBendtrans-72.6144.6-179.976.30000112.5M361 L362 I363 A367 F368 Y369M361-S365 PolarHBondContact O-N 3.19Å; M361-S365 VanDerWaalsContact O-N 3.12Å; L362-S365 VanDerWaalsContact O-CB 3.26Å; L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 2.96Å; L362-S365 VanDerWaalsContact O-N 3.07Å; L362-S365 PolarHBondContact O-OG 3.14Å; I363-S365 VanDerWaalsContact C-N 3.28Å; S365-A367 PolarHBondContact O-N 3.46Å; S365-F368 PolarHBondContact O-N 3.44Å; S365-F368 WeakPolarHBondContact OG-CB 3.43Å; S365-F368 PolarHBondContact OG-N 3.49Å; S365-F368 VanDerWaalsContact OG-N 3.17Å; S365-Y369 PolarHBondContact O-N 3.4Å
366Q85.7Confident82.5Confident129 Ų12974.6 Ų74.660%0.60335%0.353SS*.Hα-helixtrans-62.4-28.2174.6-169.368.3-14.800112.1Y369 W370Q366-Y369 WeakPolarHBondContact O-CB 3.32Å; Q366-Y369 PolarHBondContact O-N 2.93Å; Q366-W370 PolarHBondContact O-N 2.8Å; Q366-W370 VanDerWaalsContact O-N 3.13Å
367A86.7Confident82.7Confident66 Ų6677.6 Ų77.655%0.54537%0.368SS..Hα-helixtrans-66.5-43.9176.200000111.9S365 Y369 W370 T371S365-A367 PolarHBondContact O-N 3.46Å; A367-Y369 VanDerWaalsContact C-N 3.3Å; A367-Y369 PolarHBondContact O-N 3.29Å; A367-W370 PolarHBondContact O-N 2.9Å; A367-T371 WeakPolarHBondContact O-CB 3.32Å; A367-T371 PolarHBondContact O-N 2.79Å; A367-T371 PolarHBondContact O-OG1 2.98Å
368F85.7Confident83.4Confident34 Ų3474.4 Ų74.415%0.14936%0.362CS..Hα-helixtrans-62.3-40.5176.3-172.9-98.5000111.2L362 I363 S365 T371 V372 E412 L415L362-F368 HydrophobicContact CD2-CD2 3.71Å; L362-F368 HydrophobicContact CD2-CE2 4.17Å; L362-F368 HydrophobicContact CD2-CG 4.42Å; L362-F368 VanDerWaalsContact O-CB 3.23Å; L362-F368 WeakPolarHBondContact O-CB 3.34Å; I363-F368 HydrophobicContact CG2-CE1 4.37Å; S365-F368 PolarHBondContact O-N 3.44Å; S365-F368 WeakPolarHBondContact OG-CB 3.43Å; S365-F368 PolarHBondContact OG-N 3.49Å; S365-F368 VanDerWaalsContact OG-N 3.17Å; F368-T371 PolarHBondContact O-N 3.4Å; F368-V372 HydrophobicContact CD1-CG2 4.24Å; F368-V372 HydrophobicContact CE1-CG2 3.92Å; F368-V372 HydrophobicContact CE2-CG2 4.5Å; F368-V372 HydrophobicContact CZ-CG2 4.08Å; F368-V372 WeakPolarHBondContact O-CG2 3.48Å; F368-V372 PolarHBondContact O-N 2.75Å; F368-E412 HydrophobicContact CZ-CG 3.96Å; F368-L415 HydrophobicContact CE2-CD2 4.24Å
369Y79.9Confident83.6Confident64 Ų6466.2 Ų66.225%0.25133%0.33SS..Hα-helixtrans-55.1-54.2173.5165.8-85.7000112.6S365 Q366 A367 T371 V372 L373 Y475S365-Y369 PolarHBondContact O-N 3.4Å; Q366-Y369 WeakPolarHBondContact O-CB 3.32Å; Q366-Y369 PolarHBondContact O-N 2.93Å; A367-Y369 VanDerWaalsContact C-N 3.3Å; A367-Y369 PolarHBondContact O-N 3.29Å; Y369-T371 VanDerWaalsContact C-N 3.32Å; Y369-T371 PolarHBondContact O-N 3.09Å; Y369-V372 PolarHBondContact O-N 3.06Å; Y369-L373 HydrophobicContact CE1-CD2 4.46Å; Y369-L373 PolarHBondContact O-N 2.91Å; Y369-L373 VanDerWaalsContact O-N 3.1Å; Y369-Y475 AromaticContact CD2-CD1 3.36Å; Y369-Y475 HydrophobicContact CD2-CD1 3.36Å; Y369-Y475 AromaticContact CD2-CE1 3.61Å; Y369-Y475 HydrophobicContact CD2-CE1 3.61Å; Y369-Y475 HydrophobicContact CD2-CG 4.08Å; Y369-Y475 AromaticContact CE2-CD1 3.12Å; Y369-Y475 HydrophobicContact CE2-CD1 3.12Å; Y369-Y475 HydrophobicContact CE2-CD2 4.5Å; Y369-Y475 AromaticContact CE2-CE1 3.89Å; Y369-Y475 HydrophobicContact CE2-CE1 3.89Å; Y369-Y475 AromaticContact CE2-CG 3.48Å; Y369-Y475 HydrophobicContact CE2-CG 3.48Å; Y369-Y475 VanDerWaalsContact CE2-CG 3.48Å
370W85.8Confident83.6Confident143 Ų14366.7 Ų66.754%0.54233%0.331SS..Hα-helixtrans-66.3-35.9-178.9-82.3106.5000112.1Q366 A367 L373 V374Q366-W370 PolarHBondContact O-N 2.8Å; Q366-W370 VanDerWaalsContact O-N 3.13Å; A367-W370 PolarHBondContact O-N 2.9Å; W370-L373 HydrophobicContact CE3-CD2 4.07Å; W370-L373 HydrophobicContact CZ3-CD2 3.99Å; W370-L373 PolarHBondContact O-N 3.48Å; W370-V374 VanDerWaalsContact O-CG2 3.29Å; W370-V374 WeakPolarHBondContact O-CG2 3.4Å; W370-V374 PolarHBondContact O-N 2.83Å
371T86.2Confident83.9Confident72 Ų7269.6 Ų69.644%0.44235%0.345SS..Hα-helixtrans-62.8-47.9178.9-56.70000111.2A367 F368 Y369 L373 V374 M375A367-T371 WeakPolarHBondContact O-CB 3.32Å; A367-T371 PolarHBondContact O-N 2.79Å; A367-T371 PolarHBondContact O-OG1 2.98Å; F368-T371 PolarHBondContact O-N 3.4Å; Y369-T371 VanDerWaalsContact C-N 3.32Å; Y369-T371 PolarHBondContact O-N 3.09Å; T371-L373 VanDerWaalsContact C-N 3.34Å; T371-L373 PolarHBondContact O-N 3.35Å; T371-V374 PolarHBondContact O-N 3.14Å; T371-M375 HydrophobicContact CG2-CE 3.74Å; T371-M375 HydrophobicContact CG2-SD 4.48Å; T371-M375 WeakPolarHBondContact O-CG 3.25Å; T371-M375 PolarHBondContact O-N 2.9Å
372V82.1Confident84Confident4 Ų464.3 Ų64.32%0.02432%0.321CS..Hα-helixtrans-64.2-40.6177.5174.70000111.1F368 Y369 V374 M375 V376 E412 Y475F368-V372 HydrophobicContact CD1-CG2 4.24Å; F368-V372 HydrophobicContact CE1-CG2 3.92Å; F368-V372 HydrophobicContact CE2-CG2 4.5Å; F368-V372 HydrophobicContact CZ-CG2 4.08Å; F368-V372 WeakPolarHBondContact O-CG2 3.48Å; F368-V372 PolarHBondContact O-N 2.75Å; Y369-V372 PolarHBondContact O-N 3.06Å; V372-V374 PolarHBondContact O-N 3.18Å; V372-M375 PolarHBondContact O-N 3.24Å; V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.22Å; V372-E412 HydrophobicContact CG2-CG 4.47Å; V372-Y475 HydrophobicContact CG1-CE2 4.36Å; V372-Y475 WeakPolarHBondContact CG1-OH 3.14Å
373L81.8Confident83.8Confident35 Ų3561 Ų6118%0.18330%0.303CS..Hα-helixtrans-62.3-44.3178.4-177.263000112Y369 W370 T371 M375 V376 F377 I472 Y475Y369-L373 HydrophobicContact CE1-CD2 4.46Å; Y369-L373 PolarHBondContact O-N 2.91Å; Y369-L373 VanDerWaalsContact O-N 3.1Å; W370-L373 HydrophobicContact CE3-CD2 4.07Å; W370-L373 HydrophobicContact CZ3-CD2 3.99Å; W370-L373 PolarHBondContact O-N 3.48Å; T371-L373 VanDerWaalsContact C-N 3.34Å; T371-L373 PolarHBondContact O-N 3.35Å; L373-M375 VanDerWaalsContact C-N 3.34Å; L373-M375 PolarHBondContact O-N 2.82Å; L373-V376 PolarHBondContact O-N 2.84Å; L373-F377 PolarHBondContact O-N 3.48Å; L373-I472 HydrophobicContact CD1-CG1 4.21Å; L373-Y475 HydrophobicContact CD1-CD2 4.12Å
374V86.2Confident84Confident76 Ų7662 Ų6246%0.46131%0.31SS..Hα-helixtrans-61.9-42.3175.7170.40000110.8W370 T371 V372 V376 F377 L378W370-V374 VanDerWaalsContact O-CG2 3.29Å; W370-V374 WeakPolarHBondContact O-CG2 3.4Å; W370-V374 PolarHBondContact O-N 2.83Å; T371-V374 PolarHBondContact O-N 3.14Å; V372-V374 PolarHBondContact O-N 3.18Å; V374-V376 VanDerWaalsContact C-N 3.33Å; V374-V376 PolarHBondContact O-N 3.03Å; V374-F377 PolarHBondContact O-N 3.37Å; V374-L378 HydrophobicContact CG1-CD1 3.89Å; V374-L378 HydrophobicContact CG1-CG 4.25Å; V374-L378 WeakPolarHBondContact O-CB 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.41Å; V374-L378 PolarHBondContact O-N 2.61Å
375M85.7Confident84.4Confident49 Ų4956.6 Ų56.624%0.24129%0.289CS..Hα-helixtrans-59.9-41.2175.5-71.6175.7-18000112.4T371 V372 L373 N379 F405 L408 F409T371-M375 HydrophobicContact CG2-CE 3.74Å; T371-M375 HydrophobicContact CG2-SD 4.48Å; T371-M375 WeakPolarHBondContact O-CG 3.25Å; T371-M375 PolarHBondContact O-N 2.9Å; V372-M375 PolarHBondContact O-N 3.24Å; L373-M375 VanDerWaalsContact C-N 3.34Å; L373-M375 PolarHBondContact O-N 2.82Å; M375-N379 WeakPolarHBondContact O-CB 3.38Å; M375-N379 PolarHBondContact O-N 3.39Å; M375-F405 HydrophobicContact CB-CE1 4.27Å; M375-F405 WeakPolarHBondContact O-CE1 3.36Å; M375-L408 HydrophobicContact CE-CD1 4.18Å; M375-L408 HydrophobicContact SD-CB 4.48Å; M375-L408 HydrophobicContact SD-CD1 4.35Å; M375-F409 HydrophobicContact CB-CE1 4.22Å; M375-F409 HydrophobicContact CB-CZ 4.34Å
376V82.4Confident84.4Confident0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-65.9-43.3176.7173.10000111.3V372 L373 V374 N379 T380 F409 R468 K471 I472V372-V376 WeakPolarHBondContact O-CG2 3.42Å; V372-V376 PolarHBondContact O-N 3.22Å; L373-V376 PolarHBondContact O-N 2.84Å; V374-V376 VanDerWaalsContact C-N 3.33Å; V374-V376 PolarHBondContact O-N 3.03Å; V376-N379 PolarHBondContact O-N 3.3Å; V376-T380 WeakPolarHBondContact O-CB 3.22Å; V376-T380 PolarHBondContact O-N 2.86Å; V376-T380 PolarHBondContact O-OG1 3.4Å; V376-F409 HydrophobicContact CG2-CE1 4.24Å; V376-F409 HydrophobicContact CG2-CZ 4.16Å; V376-R468 WeakPolarHBondContact CG1-O 3.49Å; V376-K471 HydrophobicContact CG1-CB 4.49Å; V376-K471 HydrophobicContact CG2-CB 3.94Å; V376-K471 HydrophobicContact CG2-CD 3.73Å; V376-K471 HydrophobicContact CG2-CG 4.38Å; V376-I472 HydrophobicContact CG1-CG1 4.18Å
377F82.7Confident84.6Confident137 Ų13751.9 Ų51.960%0.60126%0.263SS*.Hα-helixtrans-63.7-44.8177.9-174.2-97.1000111.7L373 V374 T380 F381L373-F377 PolarHBondContact O-N 3.48Å; V374-F377 PolarHBondContact O-N 3.37Å; F377-T380 WeakPolarHBondContact O-CB 3.3Å; F377-T380 PolarHBondContact O-N 2.84Å; F377-F381 WeakPolarHBondContact O-CB 3.32Å; F377-F381 PolarHBondContact O-N 3.43Å
378L86.6Confident84.7Confident84 Ų8450.8 Ų50.844%0.4425%0.245SC..Hα-helixtrans-63.3-42.1176.4-70.1174.1000111.9V374 T380 F381 V382 F405V374-L378 HydrophobicContact CG1-CD1 3.89Å; V374-L378 HydrophobicContact CG1-CG 4.25Å; V374-L378 WeakPolarHBondContact O-CB 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.41Å; V374-L378 PolarHBondContact O-N 2.61Å; L378-T380 VanDerWaalsContact C-N 3.29Å; L378-T380 PolarHBondContact O-N 3.11Å; L378-F381 PolarHBondContact O-N 3.02Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.34Å; L378-V382 PolarHBondContact O-N 3.44Å; L378-F405 HydrophobicContact CB-CE1 4.33Å; L378-F405 HydrophobicContact CB-CZ 3.67Å
379N83.6Confident84.8Confident1 Ų156.5 Ų56.51%0.00527%0.272CS..Hα-helixtrans-62.8-38.8175.3-177.4-122.4000111.9M375 V376 V382 L383 F405 R468M375-N379 WeakPolarHBondContact O-CB 3.38Å; M375-N379 PolarHBondContact O-N 3.39Å; V376-N379 PolarHBondContact O-N 3.3Å; N379-V382 PolarHBondContact O-N 3.02Å; N379-L383 WeakPolarHBondContact O-CG 3.46Å; N379-L383 PolarHBondContact O-N 3.3Å; N379-F405 HydrophobicContact CB-CD1 4.25Å; N379-F405 HydrophobicContact CB-CD2 3.81Å; N379-F405 HydrophobicContact CB-CE1 4.39Å; N379-F405 HydrophobicContact CB-CE2 3.92Å; N379-F405 HydrophobicContact CB-CG 3.99Å; N379-F405 HydrophobicContact CB-CZ 4.24Å; N379-F405 VanDerWaalsContact ND2-CD2 3.32Å; N379-F405 WeakPolarHBondContact ND2-CD2 3.46Å; N379-R468 PolarHBondContact ND2-NH1 2.93Å; N379-R468 WeakPolarHBondContact OD1-CD 3.18Å; N379-R468 PolarHBondContact OD1-NH1 3.39Å; N379-R468 VanDerWaalsContact OD1-NH1 3.14Å
380T81.5Confident85.1Confident18 Ų1854.7 Ų54.711%0.1127%0.266CS..Hα-helixtrans-64.3-44.7175.1-52.60000111.1V376 F377 L378 V382 L383 T384 I469 F844V376-T380 WeakPolarHBondContact O-CB 3.22Å; V376-T380 PolarHBondContact O-N 2.86Å; V376-T380 PolarHBondContact O-OG1 3.4Å; F377-T380 WeakPolarHBondContact O-CB 3.3Å; F377-T380 PolarHBondContact O-N 2.84Å; L378-T380 VanDerWaalsContact C-N 3.29Å; L378-T380 PolarHBondContact O-N 3.11Å; T380-V382 VanDerWaalsContact C-N 3.31Å; T380-V382 PolarHBondContact O-N 2.77Å; T380-L383 WeakPolarHBondContact O-CB 3.18Å; T380-L383 PolarHBondContact O-N 3.49Å; T380-L383 VanDerWaalsContact O-N 3.15Å; T380-T384 WeakPolarHBondContact O-CG2 3.47Å; T380-T384 PolarHBondContact O-N 3.01Å; T380-I469 HydrophobicContact CG2-CD1 3.72Å; T380-I469 HydrophobicContact CG2-CG1 3.9Å; T380-I469 WeakPolarHBondContact OG1-CG1 3.38Å; T380-F844 HydrophobicContact CG2-CE1 4.03Å
381F85.2Confident85.4Confident110 Ų11050.6 Ų50.648%0.48226%0.257SS..Hα-helixtrans-59.4-40.7178.3-178.7-101.9000112.3F377 L378 L383 T384 L385F377-F381 WeakPolarHBondContact O-CB 3.32Å; F377-F381 PolarHBondContact O-N 3.43Å; L378-F381 PolarHBondContact O-N 3.02Å; F381-L383 VanDerWaalsContact C-N 3.29Å; F381-L383 PolarHBondContact O-N 2.85Å; F381-T384 WeakPolarHBondContact O-CA 3.44Å; F381-T384 WeakPolarHBondContact O-CB 3.05Å; F381-T384 PolarHBondContact O-N 2.98Å; F381-T384 PolarHBondContact O-OG1 2.99Å; F381-L385 HydrophobicContact CE1-CD1 4.24Å; F381-L385 HydrophobicContact CE1-CD2 4.34Å; F381-L385 HydrophobicContact CZ-CD2 4.26Å
382V84.4Confident85.6Confident20 Ų2054.8 Ų54.812%0.12127%0.272CS..Hα-helixtrans-60.5-40.2176.9173.20000111.5L378 N379 T380 T384 L385 Q398 V401 F405L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.34Å; L378-V382 PolarHBondContact O-N 3.44Å; N379-V382 PolarHBondContact O-N 3.02Å; T380-V382 VanDerWaalsContact C-N 3.31Å; T380-V382 PolarHBondContact O-N 2.77Å; V382-T384 PolarHBondContact O-N 2.97Å; V382-L385 PolarHBondContact O-N 3.23Å; V382-Q398 HydrophobicContact CG1-CB 4.41Å; V382-Q398 HydrophobicContact CG1-CG 4.03Å; V382-V401 HydrophobicContact CB-CG1 4.48Å; V382-V401 HydrophobicContact CG1-CG1 4.21Å; V382-V401 HydrophobicContact CG2-CG1 3.72Å; V382-F405 HydrophobicContact CG2-CE2 4.39Å
383L81Confident86.2Confident3 Ų362.6 Ų62.62%0.01630%0.301CS..Hα-helixtrans-64.4-19.5175.1-62171.3000112.5N379 T380 F381 L385 L466 I848N379-L383 WeakPolarHBondContact O-CG 3.46Å; N379-L383 PolarHBondContact O-N 3.3Å; T380-L383 WeakPolarHBondContact O-CB 3.18Å; T380-L383 PolarHBondContact O-N 3.49Å; T380-L383 VanDerWaalsContact O-N 3.15Å; F381-L383 VanDerWaalsContact C-N 3.29Å; F381-L383 PolarHBondContact O-N 2.85Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L466 HydrophobicContact CD1-CD2 3.59Å; L383-L466 HydrophobicContact CD1-CG 4.28Å; L383-I848 HydrophobicContact CB-CG2 4.34Å
384T85Confident86.6Confident39 Ų3961.5 Ų61.524%0.23930%0.296CS..THydrogen-bonded Turntrans-79.7-15.4178.569.90000115.4T380 F381 V382 E386 F844 I904T380-T384 WeakPolarHBondContact O-CG2 3.47Å; T380-T384 PolarHBondContact O-N 3.01Å; F381-T384 WeakPolarHBondContact O-CA 3.44Å; F381-T384 WeakPolarHBondContact O-CB 3.05Å; F381-T384 PolarHBondContact O-N 2.98Å; F381-T384 PolarHBondContact O-OG1 2.99Å; V382-T384 PolarHBondContact O-N 2.97Å; T384-E386 VanDerWaalsContact C-N 3.31Å; T384-F844 HydrophobicContact CG2-CE1 4.23Å; T384-F844 HydrophobicContact CG2-CE2 4.23Å; T384-F844 HydrophobicContact CG2-CZ 3.42Å; T384-F844 VanDerWaalsContact CG2-CZ 3.42Å; T384-I904 HydrophobicContact CG2-CD1 3.92Å
385L88.3Confident86.5Confident63 Ų6361.8 Ų61.833%0.3329%0.292SS..THydrogen-bonded Turntrans-82.9-12-176.3-60.8175.3000112.6F381 V382 L383 H387 L394F381-L385 HydrophobicContact CE1-CD1 4.24Å; F381-L385 HydrophobicContact CE1-CD2 4.34Å; F381-L385 HydrophobicContact CZ-CD2 4.26Å; V382-L385 PolarHBondContact O-N 3.23Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L385-H387 PolarHBondContact O-N 3Å; L385-H387 PolarHBondContact O-ND1 3.01Å; L385-L394 HydrophobicContact CB-CD1 4.37Å; L385-L394 HydrophobicContact CB-CD2 4.48Å; L385-L394 HydrophobicContact CD1-CD1 4.39Å
386E85.4Confident86.7Confident11 Ų1164.6 Ų64.65%0.05131%0.308CS..  trans-65.9129.8179.3-75.7-163.8-140.600112.2T384 Q852 K855T384-E386 VanDerWaalsContact C-N 3.31Å; E386-Q852 PolarHBondContact OE1-NE2 2.99Å; E386-Q852 PolarHBondContact OE2-NE2 3.28Å; E386-Q852 PolarHBondContact OE2-OE1 2.73Å; E386-K855 IonicContact OE2-NZ 2.82Å; E386-K855 PolarHBondContact OE2-NZ 2.99Å
387H90.4Very high87Confident60 Ų6068.4 Ų68.428%0.27833%0.328SS..  trans-147161.4176.155.8-76.1000111.9L385 Q390 D902 N903L385-H387 PolarHBondContact O-N 3Å; L385-H387 PolarHBondContact O-ND1 3.01Å; H387-Q390 PolarHBondContact O-N 2.68Å; H387-D902 WeakPolarHBondContact CA-O 3.47Å; H387-N903 WeakPolarHBondContact CB-OD1 3.47Å
388Y88.3Confident87.1Confident43 Ų4362.2 Ų62.217%0.16930%0.301CS..THydrogen-bonded Turntrans-64.1139.1171.5179.4-121.3000111.3Q390 G856 F859 D902 E933Y388-Q390 VanDerWaalsContact C-N 3.3Å; Y388-Q390 PolarHBondContact O-N 2.72Å; Y388-G856 VanDerWaalsContact CE2-CA 3.48Å; Y388-F859 AromaticContact CD1-CE2 3.9Å; Y388-F859 HydrophobicContact CD1-CE2 3.9Å; Y388-F859 HydrophobicContact CD1-CZ 4.23Å; Y388-F859 HydrophobicContact CE1-CD2 4.43Å; Y388-F859 AromaticContact CE1-CE2 3.45Å; Y388-F859 HydrophobicContact CE1-CE2 3.45Å; Y388-F859 VanDerWaalsContact CE1-CE2 3.45Å; Y388-F859 AromaticContact CE1-CZ 3.76Å; Y388-F859 HydrophobicContact CE1-CZ 3.76Å; Y388-D902 PolarHBondContact N-O 3.18Å; Y388-D902 VanDerWaalsContact N-O 3.1Å; Y388-E933 HydrophobicContact CE2-CB 4.38Å
389Q87.3Confident86.9Confident154 Ų15461.4 Ų61.472%0.7230%0.297SS*.THydrogen-bonded Turntrans56.638.2-174.9-64.4-179.3-17.400114.1
390Q87.5Confident87.1Confident26 Ų2666 Ų6612%0.12133%0.325CS..  trans-63.2146174.466.6-178.13.100112.1H387 Y388 L394H387-Q390 PolarHBondContact O-N 2.68Å; Y388-Q390 VanDerWaalsContact C-N 3.3Å; Y388-Q390 PolarHBondContact O-N 2.72Å; Q390-L394 HydrophobicContact CB-CD2 4.25Å
391P92.8Very high87.4Confident57 Ų5766.9 Ų66.937%0.3733%0.33SS..  trans-61.2144.5173.3-23.134000112.2W393 L394 E395P391-W393 HydrophobicContact CB-CG 4.29Å; P391-W393 VanDerWaalsContact CB-NE1 3.3Å; P391-W393 PolarHBondContact O-N 2.73Å; P391-L394 WeakPolarHBondContact O-CB 3.39Å; P391-L394 PolarHBondContact O-N 2.85Å; P391-E395 PolarHBondContact O-N 2.89Å
392E89.9Confident87.2Confident160 Ų16061.8 Ų61.875%0.74831%0.308SS*.Hα-helixtrans-55.3-37.7-179.7-64.8-176.8162.400112.8L394 E395 D396E392-L394 PolarHBondContact O-N 3.16Å; E392-E395 PolarHBondContact O-N 3.45Å; E392-E395 VanDerWaalsContact O-N 3.14Å; E392-D396 PolarHBondContact O-N 3.4Å
393W93.7Very high87.3Confident168 Ų16865.2 Ų65.264%0.63633%0.325SS*.Hα-helixtrans-60.7-30.4177.675.8-95.8000113.2P391 L397P391-W393 HydrophobicContact CB-CG 4.29Å; P391-W393 VanDerWaalsContact CB-NE1 3.3Å; P391-W393 PolarHBondContact O-N 2.73Å; W393-L397 HydrophobicContact CE3-CD2 4.4Å; W393-L397 HydrophobicContact CZ3-CD2 3.85Å; W393-L397 VanDerWaalsContact O-CB 3.23Å; W393-L397 WeakPolarHBondContact O-CB 3.29Å; W393-L397 PolarHBondContact O-N 2.73Å
394L90.7Very high87.7Confident13 Ų1368.3 Ų68.37%0.06835%0.346CS..Hα-helixtrans-77.1-37179.4-178.660.5000110.6L385 Q390 P391 E392 L397 Q398L385-L394 HydrophobicContact CB-CD1 4.37Å; L385-L394 HydrophobicContact CB-CD2 4.48Å; L385-L394 HydrophobicContact CD1-CD1 4.39Å; Q390-L394 HydrophobicContact CB-CD2 4.25Å; P391-L394 WeakPolarHBondContact O-CB 3.39Å; P391-L394 PolarHBondContact O-N 2.85Å; E392-L394 PolarHBondContact O-N 3.16Å; L394-L397 HydrophobicContact CD1-CD2 4.41Å; L394-L397 PolarHBondContact O-N 3.31Å; L394-Q398 HydrophobicContact CD1-CG 4.48Å; L394-Q398 WeakPolarHBondContact O-CB 3.22Å; L394-Q398 WeakPolarHBondContact O-CG 3.31Å; L394-Q398 PolarHBondContact O-N 3.41Å
395E84.7Confident87.9Confident82 Ų8267.3 Ų67.338%0.38334%0.338SS..Hα-helixtrans-63.9-48.2174-173.8166-172.500110.9P391 E392 L397 Q398 D399P391-E395 PolarHBondContact O-N 2.89Å; E392-E395 PolarHBondContact O-N 3.45Å; E392-E395 VanDerWaalsContact O-N 3.14Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.45Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-D399 PolarHBondContact O-N 3.22Å
396D88.5Confident87.7Confident107 Ų10764.9 Ų64.957%0.57233%0.325SS*.Hα-helixtrans-58.9-44175.4-73.8-22.2000111.6E392 D399 V400E392-D396 PolarHBondContact O-N 3.4Å; D396-D399 PolarHBondContact O-N 3.28Å; D396-V400 VanDerWaalsContact O-CG2 3.3Å; D396-V400 WeakPolarHBondContact O-CG2 3.5Å; D396-V400 PolarHBondContact O-N 3.47Å
397L89.6Confident87.9Confident81 Ų8167.9 Ų67.942%0.42435%0.345SS..Hα-helixtrans-61.5-46.4177.1179.267.1000111.3W393 L394 E395 D399 V400 V401W393-L397 HydrophobicContact CE3-CD2 4.4Å; W393-L397 HydrophobicContact CZ3-CD2 3.85Å; W393-L397 VanDerWaalsContact O-CB 3.23Å; W393-L397 WeakPolarHBondContact O-CB 3.29Å; W393-L397 PolarHBondContact O-N 2.73Å; L394-L397 HydrophobicContact CD1-CD2 4.41Å; L394-L397 PolarHBondContact O-N 3.31Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.45Å; L397-D399 VanDerWaalsContact C-N 3.32Å; L397-D399 PolarHBondContact O-N 2.93Å; L397-V400 PolarHBondContact O-N 3.38Å; L397-V401 HydrophobicContact CD1-CG2 3.94Å; L397-V401 HydrophobicContact CG-CG2 4.27Å; L397-V401 VanDerWaalsContact O-CB 3.25Å; L397-V401 WeakPolarHBondContact O-CB 3.42Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.48Å
398Q85.6Confident87.8Confident7 Ų768 Ų683%0.03335%0.346CS..Hα-helixtrans-59.3-44.7178.2-75.4164.7-1.900110.7V382 L394 E395 V401 N402V382-Q398 HydrophobicContact CG1-CB 4.41Å; V382-Q398 HydrophobicContact CG1-CG 4.03Å; L394-Q398 HydrophobicContact CD1-CG 4.48Å; L394-Q398 WeakPolarHBondContact O-CB 3.22Å; L394-Q398 WeakPolarHBondContact O-CG 3.31Å; L394-Q398 PolarHBondContact O-N 3.41Å; E395-Q398 PolarHBondContact O-N 3.19Å; Q398-V401 PolarHBondContact O-N 3.09Å; Q398-N402 VanDerWaalsContact O-CB 3.23Å; Q398-N402 WeakPolarHBondContact O-CB 3.47Å; Q398-N402 PolarHBondContact O-N 2.96Å; Q398-N402 PolarHBondContact O-ND2 2.99Å
399D82.1Confident87.8Confident66 Ų6666 Ų6635%0.35334%0.339SS..Hα-helixtrans-66.2-44.9179.8-84.8-11.9000112.8E395 D396 L397 V401 N402 I403E395-D399 PolarHBondContact O-N 3.22Å; D396-D399 PolarHBondContact O-N 3.28Å; L397-D399 VanDerWaalsContact C-N 3.32Å; L397-D399 PolarHBondContact O-N 2.93Å; D399-V401 VanDerWaalsContact C-N 3.34Å; D399-V401 PolarHBondContact O-N 3.08Å; D399-N402 PolarHBondContact O-N 3.2Å; D399-I403 WeakPolarHBondContact O-CG1 3.33Å; D399-I403 PolarHBondContact O-N 3.21Å
400V87.9Confident88Confident99 Ų9959.6 Ų59.660%0.631%0.312SS*.Hα-helixtrans-59.9-46.4175.4170.90000111D396 L397 N402 I403 C404D396-V400 VanDerWaalsContact O-CG2 3.3Å; D396-V400 WeakPolarHBondContact O-CG2 3.5Å; D396-V400 PolarHBondContact O-N 3.47Å; L397-V400 PolarHBondContact O-N 3.38Å; V400-N402 VanDerWaalsContact C-N 3.33Å; V400-N402 PolarHBondContact O-N 3.36Å; V400-I403 PolarHBondContact O-N 3.03Å; V400-C404 WeakPolarHBondContact O-CB 3.47Å; V400-C404 PolarHBondContact O-N 3.46Å
401V87Confident88.1Confident35 Ų3563.2 Ų63.221%0.21233%0.332CS..Hα-helixtrans-66.6-37-179.8172.20000111.1V382 L397 Q398 D399 C404 F405V382-V401 HydrophobicContact CB-CG1 4.48Å; V382-V401 HydrophobicContact CG1-CG1 4.21Å; V382-V401 HydrophobicContact CG2-CG1 3.72Å; L397-V401 HydrophobicContact CD1-CG2 3.94Å; L397-V401 HydrophobicContact CG-CG2 4.27Å; L397-V401 VanDerWaalsContact O-CB 3.25Å; L397-V401 WeakPolarHBondContact O-CB 3.42Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.48Å; Q398-V401 PolarHBondContact O-N 3.09Å; D399-V401 VanDerWaalsContact C-N 3.34Å; D399-V401 PolarHBondContact O-N 3.08Å; V401-C404 WeakPolarHBondContact O-CB 3.02Å; V401-C404 PolarHBondContact O-N 3.31Å; V401-F405 HydrophobicContact CG1-CD2 3.54Å; V401-F405 HydrophobicContact CG1-CE2 3.26Å; V401-F405 HydrophobicContact CG1-CZ 4.34Å; V401-F405 WeakPolarHBondContact O-CD2 3.48Å; V401-F405 PolarHBondContact O-N 2.84Å
402N82.3Confident87.9Confident3 Ų361.1 Ų61.12%0.01632%0.317CS..Hα-helixtrans-64.6-43.2176.3-79.3-44.7000112.4Q398 D399 V400 C404 F405 I406 R465Q398-N402 VanDerWaalsContact O-CB 3.23Å; Q398-N402 WeakPolarHBondContact O-CB 3.47Å; Q398-N402 PolarHBondContact O-N 2.96Å; Q398-N402 PolarHBondContact O-ND2 2.99Å; D399-N402 PolarHBondContact O-N 3.2Å; V400-N402 VanDerWaalsContact C-N 3.33Å; V400-N402 PolarHBondContact O-N 3.36Å; N402-C404 VanDerWaalsContact C-N 3.33Å; N402-F405 PolarHBondContact O-N 3.39Å; N402-I406 VanDerWaalsContact O-CG1 3.28Å; N402-I406 WeakPolarHBondContact O-CG1 3.39Å; N402-I406 PolarHBondContact O-N 3.16Å; N402-R465 PolarHBondContact ND2-NH1 3.08Å
403I86Confident87.8Confident93 Ų9354.5 Ų54.548%0.47729%0.286SS..Hα-helixtrans-62.4-42.6174.5-67.4168000110.5D399 V400 I406 T407 I445D399-I403 WeakPolarHBondContact O-CG1 3.33Å; D399-I403 PolarHBondContact O-N 3.21Å; V400-I403 PolarHBondContact O-N 3.03Å; I403-I406 PolarHBondContact O-N 3.47Å; I403-T407 WeakPolarHBondContact O-CB 3.46Å; I403-T407 PolarHBondContact O-N 3.39Å; I403-T407 PolarHBondContact O-OG1 2.91Å; I403-I445 HydrophobicContact CG1-CD1 4.33Å
404C89.2Confident87.6Confident68 Ų6852.3 Ų52.346%0.45929%0.285SS..Hα-helixtrans-57.8-50.3176.1-175.10000111.3V400 V401 N402 I406 T407 L408V400-C404 WeakPolarHBondContact O-CB 3.47Å; V400-C404 PolarHBondContact O-N 3.46Å; V401-C404 WeakPolarHBondContact O-CB 3.02Å; V401-C404 PolarHBondContact O-N 3.31Å; N402-C404 VanDerWaalsContact C-N 3.33Å; C404-I406 PolarHBondContact O-N 2.68Å; C404-T407 WeakPolarHBondContact O-CB 3.49Å; C404-T407 PolarHBondContact O-N 3.49Å; C404-L408 WeakPolarHBondContact O-CG 3.34Å; C404-L408 PolarHBondContact O-N 3.33Å
405F87.9Confident87.5Confident18 Ų1854.7 Ų54.78%0.07930%0.297CS..Hα-helixtrans-64.1-39.6178.4-77.9-57.3000113.3M375 L378 N379 V382 V401 N402 T407 L408 F409M375-F405 HydrophobicContact CB-CE1 4.27Å; M375-F405 WeakPolarHBondContact O-CE1 3.36Å; L378-F405 HydrophobicContact CB-CE1 4.33Å; L378-F405 HydrophobicContact CB-CZ 3.67Å; N379-F405 HydrophobicContact CB-CD1 4.25Å; N379-F405 HydrophobicContact CB-CD2 3.81Å; N379-F405 HydrophobicContact CB-CE1 4.39Å; N379-F405 HydrophobicContact CB-CE2 3.92Å; N379-F405 HydrophobicContact CB-CG 3.99Å; N379-F405 HydrophobicContact CB-CZ 4.24Å; N379-F405 VanDerWaalsContact ND2-CD2 3.32Å; N379-F405 WeakPolarHBondContact ND2-CD2 3.46Å; V382-F405 HydrophobicContact CG2-CE2 4.39Å; V401-F405 HydrophobicContact CG1-CD2 3.54Å; V401-F405 HydrophobicContact CG1-CE2 3.26Å; V401-F405 HydrophobicContact CG1-CZ 4.34Å; V401-F405 WeakPolarHBondContact O-CD2 3.48Å; V401-F405 PolarHBondContact O-N 2.84Å; N402-F405 PolarHBondContact O-N 3.39Å; F405-T407 VanDerWaalsContact C-N 3.28Å; F405-T407 PolarHBondContact O-N 3.44Å; F405-L408 HydrophobicContact CD1-CD1 4.4Å; F405-L408 PolarHBondContact O-N 2.86Å; F405-F409 HydrophobicContact CB-CD2 4.29Å; F405-F409 HydrophobicContact CB-CE2 3.98Å; F405-F409 HydrophobicContact CD1-CE2 4.42Å; F405-F409 HydrophobicContact CD1-CZ 4.49Å; F405-F409 WeakPolarHBondContact O-CB 3.24Å; F405-F409 WeakPolarHBondContact O-CD2 3.29Å; F405-F409 VanDerWaalsContact O-CG 3.31Å; F405-F409 WeakPolarHBondContact O-CG 3.41Å; F405-F409 PolarHBondContact O-N 2.98Å
406I85Confident87.7Confident11 Ų1150.9 Ų50.96%0.05628%0.279CS..Hα-helixtrans-60.9-42.5176.1-71.9165.1000110.4N402 I403 C404 F409 A410 I442 I445N402-I406 VanDerWaalsContact O-CG1 3.28Å; N402-I406 WeakPolarHBondContact O-CG1 3.39Å; N402-I406 PolarHBondContact O-N 3.16Å; I403-I406 PolarHBondContact O-N 3.47Å; C404-I406 PolarHBondContact O-N 2.68Å; I406-F409 PolarHBondContact O-N 3.07Å; I406-A410 VanDerWaalsContact O-CB 3.31Å; I406-A410 WeakPolarHBondContact O-CB 3.37Å; I406-A410 PolarHBondContact O-N 3.15Å; I406-I442 HydrophobicContact CG2-CG1 4.23Å; I406-I445 HydrophobicContact CD1-CD1 3.51Å; I406-I445 HydrophobicContact CD1-CG1 4.21Å; I406-I445 HydrophobicContact CG2-CD1 4.25Å
407T88.8Confident87.7Confident75 Ų7548 Ų4846%0.4626%0.263SS..Hα-helixtrans-63.7-45.8177.7-52.60000111I403 C404 F405 F409 A410 L411I403-T407 WeakPolarHBondContact O-CB 3.46Å; I403-T407 PolarHBondContact O-N 3.39Å; I403-T407 PolarHBondContact O-OG1 2.91Å; C404-T407 WeakPolarHBondContact O-CB 3.49Å; C404-T407 PolarHBondContact O-N 3.49Å; F405-T407 VanDerWaalsContact C-N 3.28Å; F405-T407 PolarHBondContact O-N 3.44Å; T407-F409 PolarHBondContact O-N 3.45Å; T407-A410 PolarHBondContact O-N 3.15Å; T407-L411 HydrophobicContact CG2-CD1 4.33Å; T407-L411 WeakPolarHBondContact O-CB 3.3Å; T407-L411 VanDerWaalsContact O-CG 3.28Å; T407-L411 WeakPolarHBondContact O-CG 3.48Å; T407-L411 PolarHBondContact O-N 3.37Å
408L90Very high87.6Confident61 Ų6148.9 Ų48.932%0.31926%0.262SS..Hα-helixtrans-61.5-42.2176.7-69.8172.6000112.4M375 C404 F405 L411 E412M375-L408 HydrophobicContact CE-CD1 4.18Å; M375-L408 HydrophobicContact SD-CB 4.48Å; M375-L408 HydrophobicContact SD-CD1 4.35Å; C404-L408 WeakPolarHBondContact O-CG 3.34Å; C404-L408 PolarHBondContact O-N 3.33Å; F405-L408 HydrophobicContact CD1-CD1 4.4Å; F405-L408 PolarHBondContact O-N 2.86Å; L408-L411 PolarHBondContact O-N 2.99Å; L408-E412 WeakPolarHBondContact O-CB 3.43Å; L408-E412 PolarHBondContact O-N 3.37Å
409F88.3Confident87.5Confident3 Ų348.7 Ų48.71%0.01326%0.261CS..Hα-helixtrans-72.1-33.2177.6-66-44.6000113M375 V376 F405 I406 T407 E412 M413 V438 R468 K471M375-F409 HydrophobicContact CB-CE1 4.22Å; M375-F409 HydrophobicContact CB-CZ 4.34Å; V376-F409 HydrophobicContact CG2-CE1 4.24Å; V376-F409 HydrophobicContact CG2-CZ 4.16Å; F405-F409 HydrophobicContact CB-CD2 4.29Å; F405-F409 HydrophobicContact CB-CE2 3.98Å; F405-F409 HydrophobicContact CD1-CE2 4.42Å; F405-F409 HydrophobicContact CD1-CZ 4.49Å; F405-F409 WeakPolarHBondContact O-CB 3.24Å; F405-F409 WeakPolarHBondContact O-CD2 3.29Å; F405-F409 VanDerWaalsContact O-CG 3.31Å; F405-F409 WeakPolarHBondContact O-CG 3.41Å; F405-F409 PolarHBondContact O-N 2.98Å; I406-F409 PolarHBondContact O-N 3.07Å; T407-F409 PolarHBondContact O-N 3.45Å; F409-E412 WeakPolarHBondContact CD1-OE2 3.29Å; F409-E412 WeakPolarHBondContact O-CB 3.44Å; F409-E412 PolarHBondContact O-N 3.44Å; F409-M413 WeakPolarHBondContact O-CB 3.34Å; F409-M413 PolarHBondContact O-N 3.36Å; F409-V438 HydrophobicContact CB-CG2 3.94Å; F409-R468 HydrophobicContact CE2-CG 4.47Å; F409-K471 VanDerWaalsContact CD1-NZ 3.35Å
410A89.7Confident87.4Confident19 Ų1947.3 Ų47.316%0.15725%0.253CS..Hα-helixtrans-65-41.9171.500000111.3I406 T407 M413 M414 V438I406-A410 VanDerWaalsContact O-CB 3.31Å; I406-A410 WeakPolarHBondContact O-CB 3.37Å; I406-A410 PolarHBondContact O-N 3.15Å; T407-A410 PolarHBondContact O-N 3.15Å; A410-M413 PolarHBondContact O-N 3.48Å; A410-M414 WeakPolarHBondContact O-CB 3.3Å; A410-M414 VanDerWaalsContact O-CG 3.28Å; A410-M414 WeakPolarHBondContact O-CG 3.48Å; A410-M414 PolarHBondContact O-N 3.25Å; A410-V438 HydrophobicContact CB-CG1 3.97Å
411L90.5Very high87Confident102 Ų10243 Ų4353%0.53423%0.229SC..Hα-helixtrans-64.2-42.7174-69.9172.9000111.8T407 L408 M413 M414 L415T407-L411 HydrophobicContact CG2-CD1 4.33Å; T407-L411 WeakPolarHBondContact O-CB 3.3Å; T407-L411 VanDerWaalsContact O-CG 3.28Å; T407-L411 WeakPolarHBondContact O-CG 3.48Å; T407-L411 PolarHBondContact O-N 3.37Å; L408-L411 PolarHBondContact O-N 2.99Å; L411-M413 VanDerWaalsContact C-N 3.34Å; L411-M413 PolarHBondContact O-N 3.35Å; L411-M414 PolarHBondContact O-N 3.12Å; L411-L415 VanDerWaalsContact O-CB 3.27Å; L411-L415 WeakPolarHBondContact O-CB 3.5Å; L411-L415 PolarHBondContact O-N 3.12Å
412E88.3Confident86.9Confident13 Ų1347.8 Ų47.86%0.06125%0.247CC..Hα-helixtrans-55-50172.7-177.3-165.417600111F368 V372 L408 F409 L415 K416 K471F368-E412 HydrophobicContact CZ-CG 3.96Å; V372-E412 HydrophobicContact CG2-CG 4.47Å; L408-E412 WeakPolarHBondContact O-CB 3.43Å; L408-E412 PolarHBondContact O-N 3.37Å; F409-E412 WeakPolarHBondContact CD1-OE2 3.29Å; F409-E412 WeakPolarHBondContact O-CB 3.44Å; F409-E412 PolarHBondContact O-N 3.44Å; E412-L415 PolarHBondContact O-N 3.45Å; E412-K416 WeakPolarHBondContact O-CG 3.47Å; E412-K416 PolarHBondContact O-N 2.94Å; E412-K416 WeakPolarHBondContact OE1-CE 3.47Å; E412-K416 IonicContact OE1-NZ 2.89Å; E412-K416 PolarHBondContact OE1-NZ 3.35Å; E412-K471 IonicContact OE2-NZ 2.83Å; E412-K471 PolarHBondContact OE2-NZ 3.06Å
413M88.2Confident86.9Confident20 Ų2055.9 Ų55.910%0.09928%0.279CS..Hα-helixtrans-61.7-48.6179.5179.3-169.870.600111.6F409 A410 L411 L415 K416 M417 C435 V438F409-M413 WeakPolarHBondContact O-CB 3.34Å; F409-M413 PolarHBondContact O-N 3.36Å; A410-M413 PolarHBondContact O-N 3.48Å; L411-M413 VanDerWaalsContact C-N 3.34Å; L411-M413 PolarHBondContact O-N 3.35Å; M413-L415 VanDerWaalsContact C-N 3.34Å; M413-L415 PolarHBondContact O-N 3.21Å; M413-K416 PolarHBondContact O-N 3.4Å; M413-M417 HydrophobicContact CG-CE 4.48Å; M413-M417 WeakPolarHBondContact O-CB 3.33Å; M413-M417 PolarHBondContact O-N 2.83Å; M413-C435 HydrophobicContact SD-CB 4.2Å; M413-V438 HydrophobicContact CE-CG1 4.03Å; M413-V438 HydrophobicContact SD-CB 4.06Å; M413-V438 HydrophobicContact SD-CG1 4.11Å; M413-V438 HydrophobicContact SD-CG2 4.49Å
414M90.1Very high86.6Confident122 Ų12253.2 Ų53.260%0.60127%0.265SS*.Hα-helixtrans-61.7-42.6179-73.1-177.772.400111.5A410 L411 M417 Y418A410-M414 WeakPolarHBondContact O-CB 3.3Å; A410-M414 VanDerWaalsContact O-CG 3.28Å; A410-M414 WeakPolarHBondContact O-CG 3.48Å; A410-M414 PolarHBondContact O-N 3.25Å; L411-M414 PolarHBondContact O-N 3.12Å; M414-M417 PolarHBondContact O-N 3.14Å; M414-Y418 WeakPolarHBondContact O-CB 3.23Å; M414-Y418 PolarHBondContact O-N 2.69Å
415L89Confident86.4Confident63 Ų6350 Ų5033%0.3324%0.243SC..Hα-helixtrans-60.9-47.5176.3-173.672.3000110.9L362 I363 F368 L411 E412 M413 M417 Y418 C419L362-L415 HydrophobicContact CD2-CD2 4.29Å; I363-L415 HydrophobicContact CD1-CG 4.34Å; I363-L415 HydrophobicContact CG1-CD2 4.35Å; F368-L415 HydrophobicContact CE2-CD2 4.24Å; L411-L415 VanDerWaalsContact O-CB 3.27Å; L411-L415 WeakPolarHBondContact O-CB 3.5Å; L411-L415 PolarHBondContact O-N 3.12Å; E412-L415 PolarHBondContact O-N 3.45Å; M413-L415 VanDerWaalsContact C-N 3.34Å; M413-L415 PolarHBondContact O-N 3.21Å; L415-M417 PolarHBondContact O-N 3.46Å; L415-Y418 PolarHBondContact O-N 3.07Å; L415-C419 WeakPolarHBondContact O-CB 3.41Å; L415-C419 PolarHBondContact O-N 3.12Å; L415-C419 PolarHBondContact O-SG 3.44Å
416K87.4Confident86.4Confident3 Ų352.2 Ų52.21%0.01325%0.253CS..Hα-helixtrans-60.9-45.5177.1-74.5177.9-170.9165.20112.4I363 E412 M413 Y418 C419 L420 Y425 D434I363-K416 HydrophobicContact CD1-CG 4.29Å; I363-K416 HydrophobicContact CG2-CG 4.45Å; E412-K416 WeakPolarHBondContact O-CG 3.47Å; E412-K416 PolarHBondContact O-N 2.94Å; E412-K416 WeakPolarHBondContact OE1-CE 3.47Å; E412-K416 IonicContact OE1-NZ 2.89Å; E412-K416 PolarHBondContact OE1-NZ 3.35Å; M413-K416 PolarHBondContact O-N 3.4Å; K416-Y418 VanDerWaalsContact C-N 3.31Å; K416-Y418 PolarHBondContact O-N 3.01Å; K416-C419 PolarHBondContact O-N 3.22Å; K416-L420 HydrophobicContact CB-CD1 4.25Å; K416-L420 VanDerWaalsContact O-CB 3.28Å; K416-L420 WeakPolarHBondContact O-CB 3.45Å; K416-L420 WeakPolarHBondContact O-CG 3.44Å; K416-L420 PolarHBondContact O-N 2.97Å; K416-Y425 HydrophobicContact CB-CD2 3.81Å; K416-Y425 HydrophobicContact CB-CE2 3.67Å; K416-Y425 HydrophobicContact CD-CE2 4.16Å; K416-D434 IonicContact NZ-OD2 3.14Å; K416-D434 PolarHBondContact NZ-OD2 3.35Å
417M89.2Confident86.2Confident47 Ų4754.2 Ų54.223%0.23226%0.264CS..Hα-helixtrans-62.7-40.1-178.9-169.1179.7-62.700111.5M413 M414 L415 G421 F422 Y425 F426M413-M417 HydrophobicContact CG-CE 4.48Å; M413-M417 WeakPolarHBondContact O-CB 3.33Å; M413-M417 PolarHBondContact O-N 2.83Å; M414-M417 PolarHBondContact O-N 3.14Å; L415-M417 PolarHBondContact O-N 3.46Å; M417-G421 CarbonylContact O-C 3.58Å; M417-G421 WeakPolarHBondContact O-CA 3.38Å; M417-G421 PolarHBondContact O-N 3.45Å; M417-F422 HydrophobicContact CG-CD2 3.81Å; M417-F422 HydrophobicContact SD-CD2 3.63Å; M417-F422 HydrophobicContact SD-CE2 3.78Å; M417-Y425 HydrophobicContact CB-CG 4.5Å; M417-Y425 HydrophobicContact CE-CD1 4.38Å; M417-Y425 HydrophobicContact CE-CE1 4.27Å; M417-F426 HydrophobicContact CE-CE2 4.44Å
418Y87.4Confident85.5Confident99 Ų9952.6 Ų52.639%0.38826%0.255SS..Hα-helixtrans-71-49.4177.1177.7-111.3000112.5N352 V355 R356 M414 L415 K416N352-Y418 VanDerWaalsContact OD1-CZ 3.29Å; N352-Y418 PolarHBondContact OD1-OH 3.09Å; V355-Y418 HydrophobicContact CG1-CE1 4.04Å; R356-Y418 HydrophobicContact CG-CE1 4.09Å; R356-Y418 HydrophobicContact CG-CE2 4.5Å; R356-Y418 PolarHBondContact NE-O 3.42Å; R356-Y418 PolarHBondContact NH2-O 3.25Å; R356-Y418 VanDerWaalsContact NH2-O 3.09Å; M414-Y418 WeakPolarHBondContact O-CB 3.23Å; M414-Y418 PolarHBondContact O-N 2.69Å; L415-Y418 PolarHBondContact O-N 3.07Å; K416-Y418 VanDerWaalsContact C-N 3.31Å; K416-Y418 PolarHBondContact O-N 3.01Å
419C84.3Confident84.9Confident2 Ų255.2 Ų55.21%0.01427%0.269CS..Hα-helixtrans-73.5-41-174.2-63.10000113.9G359 R360 I363 L415 K416G359-C419 VanDerWaalsContact CA-SG 3.58Å; R360-C419 WeakPolarHBondContact CD-O 3.3Å; R360-C419 HydrophobicContact CG-CB 4.28Å; R360-C419 WeakPolarHBondContact CG-O 3.29Å; I363-C419 HydrophobicContact CD1-CB 3.4Å; L415-C419 WeakPolarHBondContact O-CB 3.41Å; L415-C419 PolarHBondContact O-N 3.12Å; L415-C419 PolarHBondContact O-SG 3.44Å; K416-C419 PolarHBondContact O-N 3.22Å
420L78.4Confident84.4Confident38 Ų3858.4 Ų58.420%0.19928%0.283CS..Hα-helixtrans-81.1-22.7-179.7-63.9166.8000112.5K416 N424K416-L420 HydrophobicContact CB-CD1 4.25Å; K416-L420 VanDerWaalsContact O-CB 3.28Å; K416-L420 WeakPolarHBondContact O-CB 3.45Å; K416-L420 WeakPolarHBondContact O-CG 3.44Å; K416-L420 PolarHBondContact O-N 2.97Å; L420-N424 WeakPolarHBondContact O-CB 2.99Å; L420-N424 PolarHBondContact O-ND2 3.48Å; L420-N424 VanDerWaalsContact O-ND2 3.16Å
421G79.7Confident84Confident9 Ų957.9 Ų57.99%0.09328%0.277CS..  trans90.4145.3-166.800000112.1M417 Y423 N424 Y425M417-G421 CarbonylContact O-C 3.58Å; M417-G421 WeakPolarHBondContact O-CA 3.38Å; M417-G421 PolarHBondContact O-N 3.45Å; G421-Y423 PolarHBondContact O-N 3.33Å; G421-N424 PolarHBondContact O-N 3.48Å; G421-Y425 WeakPolarHBondContact O-CB 3.49Å; G421-Y425 PolarHBondContact O-N 2.94Å
422F85Confident83.8Confident134 Ų13459.2 Ų59.259%0.58828%0.275SS*.Hα-helixtrans-59-46.7-174-171.2-94.7000111.9M417 Y425 F426M417-F422 HydrophobicContact CG-CD2 3.81Å; M417-F422 HydrophobicContact SD-CD2 3.63Å; M417-F422 HydrophobicContact SD-CE2 3.78Å; F422-Y425 WeakPolarHBondContact O-CB 3.27Å; F422-Y425 PolarHBondContact O-N 3.13Å; F422-F426 HydrophobicContact CD1-CD2 4.13Å; F422-F426 HydrophobicContact CD1-CE2 4.34Å; F422-F426 HydrophobicContact CD2-CD2 4.47Å; F422-F426 HydrophobicContact CD2-CE2 4.06Å; F422-F426 AromaticContact CE1-CD2 3.89Å; F422-F426 HydrophobicContact CE1-CD2 3.89Å; F422-F426 AromaticContact CE1-CE2 3.84Å; F422-F426 HydrophobicContact CE1-CE2 3.84Å; F422-F426 HydrophobicContact CE2-CD2 4.26Å; F422-F426 AromaticContact CE2-CE2 3.54Å; F422-F426 HydrophobicContact CE2-CE2 3.54Å; F422-F426 HydrophobicContact CE2-CZ 4.48Å; F422-F426 HydrophobicContact CG-CD2 4.41Å; F422-F426 HydrophobicContact CG-CE2 4.44Å; F422-F426 AromaticContact CZ-CD2 3.96Å; F422-F426 HydrophobicContact CZ-CD2 3.96Å; F422-F426 AromaticContact CZ-CE2 3.41Å; F422-F426 HydrophobicContact CZ-CE2 3.41Å; F422-F426 VanDerWaalsContact CZ-CE2 3.41Å; F422-F426 HydrophobicContact CZ-CZ 4.27Å; F422-F426 VanDerWaalsContact O-CD2 3.31Å; F422-F426 WeakPolarHBondContact O-CD2 3.33Å; F422-F426 PolarHBondContact O-N 3.48Å
423Y83.2Confident83.4Confident173 Ų17361.5 Ų61.568%0.67829%0.285SS*.Hα-helixtrans-63.6-49.4-179.6-172.6-106.1000112.3G421 Y425 F426 I427G421-Y423 PolarHBondContact O-N 3.33Å; Y423-Y425 VanDerWaalsContact C-N 3.29Å; Y423-Y425 PolarHBondContact O-N 3.36Å; Y423-F426 PolarHBondContact O-N 2.92Å; Y423-F426 VanDerWaalsContact O-N 3.09Å; Y423-I427 HydrophobicContact CD1-CD1 3.79Å; Y423-I427 HydrophobicContact CD1-CG1 4.49Å; Y423-I427 HydrophobicContact CE1-CD1 3.48Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y423-I427 HydrophobicContact CE1-CG1 4.24Å; Y423-I427 PolarHBondContact O-N 3.31Å; Y423-I427 VanDerWaalsContact O-N 3.11Å
424N78.6Confident83.1Confident37 Ų3760.8 Ų60.820%0.19828%0.282CS..Hα-helixtrans-63.2-35.5179.3-64.9-15.3000112.3M298 L420 G421 F426 I427M298-N424 HydrophobicContact CE-CB 3.77Å; M298-N424 WeakPolarHBondContact CE-OD1 3.34Å; L420-N424 WeakPolarHBondContact O-CB 2.99Å; L420-N424 PolarHBondContact O-ND2 3.48Å; L420-N424 VanDerWaalsContact O-ND2 3.16Å; G421-N424 PolarHBondContact O-N 3.48Å; N424-F426 VanDerWaalsContact C-N 3.34Å; N424-F426 PolarHBondContact O-N 3.48Å; N424-I427 PolarHBondContact O-N 3.34Å
425Y84.8Confident83Confident0 Ų055.7 Ų55.70%026%0.258CS..Hα-helixtrans-58.3-47.2173.3-178.5-92000111.2K416 M417 G421 F422 Y423 I427 N431 C435K416-Y425 HydrophobicContact CB-CD2 3.81Å; K416-Y425 HydrophobicContact CB-CE2 3.67Å; K416-Y425 HydrophobicContact CD-CE2 4.16Å; M417-Y425 HydrophobicContact CB-CG 4.5Å; M417-Y425 HydrophobicContact CE-CD1 4.38Å; M417-Y425 HydrophobicContact CE-CE1 4.27Å; G421-Y425 WeakPolarHBondContact O-CB 3.49Å; G421-Y425 PolarHBondContact O-N 2.94Å; F422-Y425 WeakPolarHBondContact O-CB 3.27Å; F422-Y425 PolarHBondContact O-N 3.13Å; Y423-Y425 VanDerWaalsContact C-N 3.29Å; Y423-Y425 PolarHBondContact O-N 3.36Å; Y425-I427 PolarHBondContact O-N 3.41Å; Y425-N431 HydrophobicContact CD1-CB 4.19Å; Y425-N431 HydrophobicContact CD2-CB 3.88Å; Y425-N431 HydrophobicContact CE1-CB 3.94Å; Y425-N431 WeakPolarHBondContact CE1-O 3.31Å; Y425-N431 HydrophobicContact CE2-CB 3.63Å; Y425-N431 HydrophobicContact CG-CB 4.15Å; Y425-N431 WeakPolarHBondContact O-CB 3.14Å; Y425-N431 PolarHBondContact O-ND2 2.81Å; Y425-N431 PolarHBondContact OH-O 3.33Å; Y425-C435 HydrophobicContact CE1-CB 4.08Å
426F87.7Confident82.8Confident66 Ų6658.1 Ų58.129%0.28927%0.266SS..Hα-helixtrans-78.6-8.5-179.2-79-78.9000114.6M417 F422 Y423 N424 R432M417-F426 HydrophobicContact CE-CE2 4.44Å; F422-F426 HydrophobicContact CD1-CD2 4.13Å; F422-F426 HydrophobicContact CD1-CE2 4.34Å; F422-F426 HydrophobicContact CD2-CD2 4.47Å; F422-F426 HydrophobicContact CD2-CE2 4.06Å; F422-F426 AromaticContact CE1-CD2 3.89Å; F422-F426 HydrophobicContact CE1-CD2 3.89Å; F422-F426 AromaticContact CE1-CE2 3.84Å; F422-F426 HydrophobicContact CE1-CE2 3.84Å; F422-F426 HydrophobicContact CE2-CD2 4.26Å; F422-F426 AromaticContact CE2-CE2 3.54Å; F422-F426 HydrophobicContact CE2-CE2 3.54Å; F422-F426 HydrophobicContact CE2-CZ 4.48Å; F422-F426 HydrophobicContact CG-CD2 4.41Å; F422-F426 HydrophobicContact CG-CE2 4.44Å; F422-F426 AromaticContact CZ-CD2 3.96Å; F422-F426 HydrophobicContact CZ-CD2 3.96Å; F422-F426 AromaticContact CZ-CE2 3.41Å; F422-F426 HydrophobicContact CZ-CE2 3.41Å; F422-F426 VanDerWaalsContact CZ-CE2 3.41Å; F422-F426 HydrophobicContact CZ-CZ 4.27Å; F422-F426 VanDerWaalsContact O-CD2 3.31Å; F422-F426 WeakPolarHBondContact O-CD2 3.33Å; F422-F426 PolarHBondContact O-N 3.48Å; Y423-F426 PolarHBondContact O-N 2.92Å; Y423-F426 VanDerWaalsContact O-N 3.09Å; N424-F426 VanDerWaalsContact C-N 3.34Å; N424-F426 PolarHBondContact O-N 3.48Å; F426-R432 HydrophobicContact CD1-CG 4.11Å; F426-R432 PolarHBondContact O-NE 3.31Å; F426-R432 PolarHBondContact O-NH2 2.91Å
427I81.1Confident82.6Confident53 Ų5358.2 Ų58.227%0.27227%0.267SS..Hα-helixtrans-70.5-36.2170.7-73.3170.9000110.9L294 M298 Y423 N424 Y425 L429L294-I427 HydrophobicContact CD2-CD1 4.39Å; L294-I427 HydrophobicContact CD2-CG2 4.45Å; M298-I427 HydrophobicContact CE-CD1 4.42Å; M298-I427 HydrophobicContact SD-CD1 3.72Å; Y423-I427 HydrophobicContact CD1-CD1 3.79Å; Y423-I427 HydrophobicContact CD1-CG1 4.49Å; Y423-I427 HydrophobicContact CE1-CD1 3.48Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y423-I427 HydrophobicContact CE1-CG1 4.24Å; Y423-I427 PolarHBondContact O-N 3.31Å; Y423-I427 VanDerWaalsContact O-N 3.11Å; N424-I427 PolarHBondContact O-N 3.34Å; Y425-I427 PolarHBondContact O-N 3.41Å; I427-L429 PolarHBondContact O-N 3.49Å
428S74.7Confident82.4Confident41 Ų4156.1 Ų56.129%0.28726%0.257SS..SBendtrans-75.2120-179.2-176.70000111.9F430 N431 R432S428-F430 PolarHBondContact O-N 3.25Å; S428-N431 PolarHBondContact O-N 2.98Å; S428-N431 VanDerWaalsContact O-N 3.13Å; S428-R432 PolarHBondContact O-N 2.95Å; S428-R432 VanDerWaalsContact O-N 3.11Å
429L77.3Confident82.4Confident115 Ų11556 Ų5660%0.60226%0.263SS*.Hα-helixtrans-55-37175.8-70174.1000112.6I427 R432 F433I427-L429 PolarHBondContact O-N 3.49Å; L429-R432 WeakPolarHBondContact O-CB 3.29Å; L429-R432 PolarHBondContact O-N 3.23Å; L429-F433 PolarHBondContact O-N 3.43Å; L429-F433 VanDerWaalsContact O-N 3.12Å
430F76.9Confident82.3Confident71 Ų7157.5 Ų57.531%0.31127%0.272SS..Hα-helixtrans-70.7-35.5179.5-71.2-70.1000113.1S428 F433 D434 T473 R474 R480S428-F430 PolarHBondContact O-N 3.25Å; F430-F433 PolarHBondContact O-N 2.9Å; F430-D434 PolarHBondContact O-N 3.27Å; F430-T473 WeakPolarHBondContact CE1-OG1 3.3Å; F430-R474 HydrophobicContact CD1-CB 4.22Å; F430-R474 HydrophobicContact CE1-CB 4.47Å; F430-R474 HydrophobicContact CG-CB 4.37Å; F430-R474 HydrophobicContact CG-CG 4.44Å; F430-R480 HydrophobicContact CZ-CG 4.21Å
431N82.3Confident82.4Confident7 Ų755.8 Ų55.84%0.03726%0.264CS..Hα-helixtrans-71.5-32.9175.7-71.4-11.4000111.2Y425 S428 F433 D434 C435 R474Y425-N431 HydrophobicContact CD1-CB 4.19Å; Y425-N431 HydrophobicContact CD2-CB 3.88Å; Y425-N431 HydrophobicContact CE1-CB 3.94Å; Y425-N431 WeakPolarHBondContact CE1-O 3.31Å; Y425-N431 HydrophobicContact CE2-CB 3.63Å; Y425-N431 HydrophobicContact CG-CB 4.15Å; Y425-N431 WeakPolarHBondContact O-CB 3.14Å; Y425-N431 PolarHBondContact O-ND2 2.81Å; Y425-N431 PolarHBondContact OH-O 3.33Å; S428-N431 PolarHBondContact O-N 2.98Å; S428-N431 VanDerWaalsContact O-N 3.13Å; N431-F433 VanDerWaalsContact C-N 3.33Å; N431-D434 PolarHBondContact O-N 3.38Å; N431-C435 WeakPolarHBondContact O-CB 3.29Å; N431-C435 PolarHBondContact O-N 3.32Å; N431-R474 PolarHBondContact OD1-NH1 2.94Å
432R85.3Confident82.6Confident130 Ų13058.6 Ų58.649%0.49128%0.276SS..Hα-helixtrans-59.5-45169.4-64.9-175.5-175.5179.53.2111.4F426 S428 L429 C435 F436F426-R432 HydrophobicContact CD1-CG 4.11Å; F426-R432 PolarHBondContact O-NE 3.31Å; F426-R432 PolarHBondContact O-NH2 2.91Å; S428-R432 PolarHBondContact O-N 2.95Å; S428-R432 VanDerWaalsContact O-N 3.11Å; L429-R432 WeakPolarHBondContact O-CB 3.29Å; L429-R432 PolarHBondContact O-N 3.23Å; R432-C435 WeakPolarHBondContact O-CB 3.47Å; R432-C435 PolarHBondContact O-N 3.35Å; R432-F436 PolarHBondContact O-N 2.98Å
433F81.9Confident82.5Confident61 Ų6154.2 Ų54.227%0.26827%0.265SS..Hα-helixtrans-63.7-44.4176.7-179.8-100.5000112.2L429 F430 N431 C435 F436 V437 L467 F470L429-F433 PolarHBondContact O-N 3.43Å; L429-F433 VanDerWaalsContact O-N 3.12Å; F430-F433 PolarHBondContact O-N 2.9Å; N431-F433 VanDerWaalsContact C-N 3.33Å; F433-C435 VanDerWaalsContact C-N 3.31Å; F433-C435 PolarHBondContact O-N 2.97Å; F433-F436 WeakPolarHBondContact O-CB 3.36Å; F433-F436 PolarHBondContact O-N 2.94Å; F433-F436 VanDerWaalsContact O-N 3.14Å; F433-V437 HydrophobicContact CD1-CG2 4.07Å; F433-V437 HydrophobicContact CD2-CG2 4.43Å; F433-V437 HydrophobicContact CE1-CG2 3.65Å; F433-V437 HydrophobicContact CE2-CG2 4.05Å; F433-V437 HydrophobicContact CG-CG2 4.45Å; F433-V437 HydrophobicContact CZ-CG2 3.66Å; F433-V437 WeakPolarHBondContact O-CG2 3.3Å; F433-V437 PolarHBondContact O-N 3.19Å; F433-L467 VanDerWaalsContact CE1-O 3.29Å; F433-L467 WeakPolarHBondContact CE1-O 3.2Å; F433-L467 HydrophobicContact CZ-CB 3.88Å; F433-L467 HydrophobicContact CZ-CD2 4.49Å; F433-L467 VanDerWaalsContact CZ-O 3.29Å; F433-L467 WeakPolarHBondContact CZ-O 3.28Å; F433-F470 HydrophobicContact CE1-CB 3.77Å; F433-F470 HydrophobicContact CZ-CB 3.77Å; F433-F470 HydrophobicContact CZ-CD2 4.13Å; F433-F470 HydrophobicContact CZ-CG 4.35Å
434D81.8Confident82.3Confident6 Ų646.1 Ų46.13%0.03223%0.233CC..Hα-helixtrans-58-44.4176.6-162.210.7000111.4K416 F430 N431 F436 V437 V438 K471K416-D434 IonicContact NZ-OD2 3.14Å; K416-D434 PolarHBondContact NZ-OD2 3.35Å; F430-D434 PolarHBondContact O-N 3.27Å; N431-D434 PolarHBondContact O-N 3.38Å; D434-F436 PolarHBondContact O-N 2.94Å; D434-V437 PolarHBondContact O-N 3.45Å; D434-V438 WeakPolarHBondContact O-CG2 3.27Å; D434-V438 PolarHBondContact O-N 3.02Å; D434-K471 WeakPolarHBondContact OD1-CE 3.48Å; D434-K471 IonicContact OD1-NZ 3.9Å; D434-K471 PolarHBondContact OD1-NZ 2.79Å; D434-K471 IonicContact OD2-NZ 3.27Å
435C86.9Confident82.4Confident15 Ų1546.2 Ų46.210%0.10123%0.233CC..Hα-helixtrans-59.1-46.8174.6-174.40000111.8M413 Y425 N431 R432 F433 V437 V438 L439M413-C435 HydrophobicContact SD-CB 4.2Å; Y425-C435 HydrophobicContact CE1-CB 4.08Å; N431-C435 WeakPolarHBondContact O-CB 3.29Å; N431-C435 PolarHBondContact O-N 3.32Å; R432-C435 WeakPolarHBondContact O-CB 3.47Å; R432-C435 PolarHBondContact O-N 3.35Å; F433-C435 VanDerWaalsContact C-N 3.31Å; F433-C435 PolarHBondContact O-N 2.97Å; C435-V437 PolarHBondContact O-N 2.76Å; C435-V438 PolarHBondContact O-N 3.14Å; C435-L439 WeakPolarHBondContact O-CB 3.25Å; C435-L439 VanDerWaalsContact O-CG 3.24Å; C435-L439 WeakPolarHBondContact O-CG 3.2Å; C435-L439 PolarHBondContact O-N 3.05Å
436F85.7Confident82.3Confident114 Ų11449.3 Ų49.350%0.525%0.254SS..Hα-helixtrans-60.9-45.8178.2179.3-101.1000112.4R432 F433 D434 V438 L439 C440 L467R432-F436 PolarHBondContact O-N 2.98Å; F433-F436 WeakPolarHBondContact O-CB 3.36Å; F433-F436 PolarHBondContact O-N 2.94Å; F433-F436 VanDerWaalsContact O-N 3.14Å; D434-F436 PolarHBondContact O-N 2.94Å; F436-V438 PolarHBondContact O-N 2.97Å; F436-L439 PolarHBondContact O-N 3.26Å; F436-C440 WeakPolarHBondContact CZ-SG 3.39Å; F436-C440 WeakPolarHBondContact O-CB 3.41Å; F436-C440 PolarHBondContact O-N 2.84Å; F436-C440 PolarHBondContact O-SG 3.02Å; F436-C440 VanDerWaalsContact O-SG 3.4Å; F436-L467 HydrophobicContact CE1-CD1 4.26Å
437V81.9Confident82.1Confident4 Ų449 Ų492%0.02426%0.255CS..Hα-helixtrans-63.2-42.3-179.4173.30000111.7F433 D434 C435 S441 L467 R468F433-V437 HydrophobicContact CD1-CG2 4.07Å; F433-V437 HydrophobicContact CD2-CG2 4.43Å; F433-V437 HydrophobicContact CE1-CG2 3.65Å; F433-V437 HydrophobicContact CE2-CG2 4.05Å; F433-V437 HydrophobicContact CG-CG2 4.45Å; F433-V437 HydrophobicContact CZ-CG2 3.66Å; F433-V437 WeakPolarHBondContact O-CG2 3.3Å; F433-V437 PolarHBondContact O-N 3.19Å; D434-V437 PolarHBondContact O-N 3.45Å; C435-V437 PolarHBondContact O-N 2.76Å; V437-S441 WeakPolarHBondContact O-CB 3.48Å; V437-S441 PolarHBondContact O-N 3.15Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 2.84Å; V437-L467 HydrophobicContact CG1-CB 4.5Å; V437-L467 HydrophobicContact CG2-CB 3.72Å; V437-L467 HydrophobicContact CG2-CD1 4.49Å; V437-R468 HydrophobicContact CG1-CG 3.55Å
438V85.6Confident81.7Confident4 Ų448.9 Ų48.92%0.02426%0.258CS..Hα-helixtrans-66.1-44.9176.91740000110.7F409 A410 M413 D434 C435 F436 S441 I442F409-V438 HydrophobicContact CB-CG2 3.94Å; A410-V438 HydrophobicContact CB-CG1 3.97Å; M413-V438 HydrophobicContact CE-CG1 4.03Å; M413-V438 HydrophobicContact SD-CB 4.06Å; M413-V438 HydrophobicContact SD-CG1 4.11Å; M413-V438 HydrophobicContact SD-CG2 4.49Å; D434-V438 WeakPolarHBondContact O-CG2 3.27Å; D434-V438 PolarHBondContact O-N 3.02Å; C435-V438 PolarHBondContact O-N 3.14Å; F436-V438 PolarHBondContact O-N 2.97Å; V438-S441 WeakPolarHBondContact O-CB 3.45Å; V438-S441 PolarHBondContact O-N 2.78Å; V438-I442 HydrophobicContact CG1-CD1 3.79Å; V438-I442 HydrophobicContact CG1-CG1 4.43Å; V438-I442 WeakPolarHBondContact O-CG1 3.31Å; V438-I442 PolarHBondContact O-N 3.16Å
439L87.2Confident82Confident97 Ų9754.3 Ų54.351%0.50828%0.278SS..Hα-helixtrans-63.1-42.8178.2-71.8174000112.7C435 F436 S441 I442 A443C435-L439 WeakPolarHBondContact O-CB 3.25Å; C435-L439 VanDerWaalsContact O-CG 3.24Å; C435-L439 WeakPolarHBondContact O-CG 3.2Å; C435-L439 PolarHBondContact O-N 3.05Å; F436-L439 PolarHBondContact O-N 3.26Å; L439-S441 VanDerWaalsContact C-N 3.3Å; L439-S441 PolarHBondContact O-N 3.18Å; L439-I442 PolarHBondContact O-N 3.37Å; L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 2.95Å
440C81.5Confident82.3Confident32 Ų3251.7 Ų51.722%0.21627%0.273CS..Hα-helixtrans-62-38.5174.2-73.70000112F436 A443 E444F436-C440 WeakPolarHBondContact CZ-SG 3.39Å; F436-C440 WeakPolarHBondContact O-CB 3.41Å; F436-C440 PolarHBondContact O-N 2.84Å; F436-C440 PolarHBondContact O-SG 3.02Å; F436-C440 VanDerWaalsContact O-SG 3.4Å; C440-A443 PolarHBondContact O-N 3Å; C440-E444 WeakPolarHBondContact O-CB 3.13Å; C440-E444 PolarHBondContact O-N 2.79Å
441S80.9Confident82.3Confident3 Ų357.4 Ų57.42%0.02130%0.298CS..Hα-helixtrans-68.1-38.8177.5-560000112.1V437 V438 L439 E444 I445 R468V437-S441 WeakPolarHBondContact O-CB 3.48Å; V437-S441 PolarHBondContact O-N 3.15Å; V437-S441 VanDerWaalsContact O-N 3.07Å; V437-S441 PolarHBondContact O-OG 2.84Å; V438-S441 WeakPolarHBondContact O-CB 3.45Å; V438-S441 PolarHBondContact O-N 2.78Å; L439-S441 VanDerWaalsContact C-N 3.3Å; L439-S441 PolarHBondContact O-N 3.18Å; S441-E444 WeakPolarHBondContact O-CB 3.46Å; S441-E444 PolarHBondContact O-N 2.93Å; S441-I445 PolarHBondContact O-N 3.46Å; S441-R468 PolarHBondContact OG-NH2 2.99Å
442I84.6Confident81.9Confident68 Ų6862.3 Ų62.335%0.34933%0.328SS..Hα-helixtrans-68.7-41.3175.4-67.3168.1000110.5I406 V438 L439 E444 I445 S446I406-I442 HydrophobicContact CG2-CG1 4.23Å; V438-I442 HydrophobicContact CG1-CD1 3.79Å; V438-I442 HydrophobicContact CG1-CG1 4.43Å; V438-I442 WeakPolarHBondContact O-CG1 3.31Å; V438-I442 PolarHBondContact O-N 3.16Å; L439-I442 PolarHBondContact O-N 3.37Å; I442-E444 VanDerWaalsContact C-N 3.31Å; I442-E444 PolarHBondContact O-N 3.08Å; I442-I445 PolarHBondContact O-N 2.94Å; I442-S446 WeakPolarHBondContact O-CB 3.32Å; I442-S446 PolarHBondContact O-N 3.34Å; I442-S446 PolarHBondContact O-OG 2.91Å
443A83.1Confident80.9Confident42 Ų4258.5 Ų58.535%0.34732%0.317SS..Hα-helixtrans-61.3-41.2175.400000111.1L439 C440 S446 L447L439-A443 WeakPolarHBondContact O-CB 3.46Å; L439-A443 PolarHBondContact O-N 2.95Å; C440-A443 PolarHBondContact O-N 3Å; A443-S446 PolarHBondContact O-N 3.47Å; A443-L447 HydrophobicContact CB-CD1 4.47Å; A443-L447 VanDerWaalsContact O-CB 3.29Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 VanDerWaalsContact O-CD1 3.3Å; A443-L447 WeakPolarHBondContact O-CD1 3.29Å; A443-L447 WeakPolarHBondContact O-CG 3.39Å; A443-L447 PolarHBondContact O-N 3.38Å
444E78.7Confident80Confident3 Ų363.9 Ų63.91%0.01434%0.34CS..Hα-helixtrans-55.9-54.4173.9-174.5-164.7166.600111.3C440 S441 I442 S446 L447 T448 L461 R462 R465C440-E444 WeakPolarHBondContact O-CB 3.13Å; C440-E444 PolarHBondContact O-N 2.79Å; S441-E444 WeakPolarHBondContact O-CB 3.46Å; S441-E444 PolarHBondContact O-N 2.93Å; I442-E444 VanDerWaalsContact C-N 3.31Å; I442-E444 PolarHBondContact O-N 3.08Å; E444-S446 VanDerWaalsContact C-N 3.27Å; E444-S446 PolarHBondContact O-N 3.46Å; E444-L447 PolarHBondContact O-N 3.33Å; E444-T448 HydrophobicContact CG-CG2 4.2Å; E444-T448 WeakPolarHBondContact O-CG2 3.3Å; E444-T448 PolarHBondContact O-N 3.19Å; E444-T448 PolarHBondContact O-OG1 2.91Å; E444-L461 HydrophobicContact CB-CB 4.35Å; E444-L461 HydrophobicContact CG-CB 3.9Å; E444-R462 WeakPolarHBondContact OE1-CG 3.45Å; E444-R465 IonicContact OE1-CZ 3.47Å; E444-R465 VanDerWaalsContact OE1-CZ 3.23Å; E444-R465 IonicContact OE1-NE 2.61Å; E444-R465 PolarHBondContact OE1-NE 3.02Å; E444-R465 IonicContact OE1-NH2 2.72Å; E444-R465 PolarHBondContact OE1-NH2 2.85Å; E444-R465 IonicContact OE2-CZ 3.54Å; E444-R465 IonicContact OE2-NE 2.66Å; E444-R465 PolarHBondContact OE2-NE 3.45Å; E444-R465 IonicContact OE2-NH2 3.67Å
445I80Confident78.9Confident38 Ų3868.6 Ų68.620%0.19537%0.371CS..Hα-helixtrans-58.6-41.4178.5-68.2175.1000111.2I403 I406 S441 I442 L447 T448 Q449I403-I445 HydrophobicContact CG1-CD1 4.33Å; I406-I445 HydrophobicContact CD1-CD1 3.51Å; I406-I445 HydrophobicContact CD1-CG1 4.21Å; I406-I445 HydrophobicContact CG2-CD1 4.25Å; S441-I445 PolarHBondContact O-N 3.46Å; I442-I445 PolarHBondContact O-N 2.94Å; I445-L447 VanDerWaalsContact C-N 3.34Å; I445-L447 PolarHBondContact O-N 3.28Å; I445-T448 WeakPolarHBondContact CA-OG1 3.27Å; I445-T448 PolarHBondContact O-N 3.07Å; I445-T448 PolarHBondContact O-OG1 2.94Å; I445-Q449 HydrophobicContact CG2-CG 4.47Å; I445-Q449 WeakPolarHBondContact O-CB 3.39Å; I445-Q449 VanDerWaalsContact O-CG 3.31Å; I445-Q449 WeakPolarHBondContact O-CG 3.46Å; I445-Q449 PolarHBondContact O-N 3.43Å
446S83.1Confident77.4Confident65 Ų6571.6 Ų71.646%0.45539%0.386SS..Hα-helixtrans-65.8-40.8-179.4-55.10000111.3I442 A443 E444 A450I442-S446 WeakPolarHBondContact O-CB 3.32Å; I442-S446 PolarHBondContact O-N 3.34Å; I442-S446 PolarHBondContact O-OG 2.91Å; A443-S446 PolarHBondContact O-N 3.47Å; E444-S446 VanDerWaalsContact C-N 3.27Å; E444-S446 PolarHBondContact O-N 3.46Å; S446-A450 VanDerWaalsContact O-CB 3.27Å; S446-A450 WeakPolarHBondContact O-CB 3.38Å; S446-A450 PolarHBondContact O-N 3.43Å
447L82.8Confident76.3Confident59 Ų5967.5 Ų67.531%0.30938%0.375SS..Hα-helixtrans-74.5-33.5-179.8-69.4161.8000112.3A443 E444 I445 A450 K451 I453 L461A443-L447 HydrophobicContact CB-CD1 4.47Å; A443-L447 VanDerWaalsContact O-CB 3.29Å; A443-L447 WeakPolarHBondContact O-CB 3.48Å; A443-L447 VanDerWaalsContact O-CD1 3.3Å; A443-L447 WeakPolarHBondContact O-CD1 3.29Å; A443-L447 WeakPolarHBondContact O-CG 3.39Å; A443-L447 PolarHBondContact O-N 3.38Å; E444-L447 PolarHBondContact O-N 3.33Å; I445-L447 VanDerWaalsContact C-N 3.34Å; I445-L447 PolarHBondContact O-N 3.28Å; L447-A450 PolarHBondContact O-N 3.42Å; L447-K451 PolarHBondContact O-N 3.44Å; L447-I453 HydrophobicContact CB-CD1 3.76Å; L447-I453 HydrophobicContact CB-CG1 4.37Å; L447-I453 HydrophobicContact CD1-CD1 3.76Å; L447-I453 HydrophobicContact CD2-CD1 4.05Å; L447-I453 HydrophobicContact CD2-CG1 4.49Å; L447-I453 HydrophobicContact CG-CD1 4.04Å; L447-L461 HydrophobicContact CD1-CD1 4.14Å
448T73.8Confident75.4Confident52 Ų5269 Ų6932%0.31938%0.383SS..Hα-helixtrans-67.4-45.7174.862.70000110.5E444 I445 A450 K451 L458E444-T448 HydrophobicContact CG-CG2 4.2Å; E444-T448 WeakPolarHBondContact O-CG2 3.3Å; E444-T448 PolarHBondContact O-N 3.19Å; E444-T448 PolarHBondContact O-OG1 2.91Å; I445-T448 WeakPolarHBondContact CA-OG1 3.27Å; I445-T448 PolarHBondContact O-N 3.07Å; I445-T448 PolarHBondContact O-OG1 2.94Å; T448-A450 VanDerWaalsContact C-N 3.29Å; T448-A450 PolarHBondContact O-N 3.05Å; T448-K451 PolarHBondContact O-N 3.36Å; T448-K451 VanDerWaalsContact O-N 3.13Å; T448-L458 HydrophobicContact CG2-CD2 3.45Å; T448-L458 VanDerWaalsContact CG2-CD2 3.45Å
449Q81Confident74.5Confident155 Ų15570 Ų7072%0.72439%0.391SS*.Hα-helixtrans-64.1-34.9176.1-72.2-177.9-6.500112.1I445 K451I445-Q449 HydrophobicContact CG2-CG 4.47Å; I445-Q449 WeakPolarHBondContact O-CB 3.39Å; I445-Q449 VanDerWaalsContact O-CG 3.31Å; I445-Q449 WeakPolarHBondContact O-CG 3.46Å; I445-Q449 PolarHBondContact O-N 3.43Å; Q449-K451 VanDerWaalsContact C-N 3.28Å; Q449-K451 PolarHBondContact O-N 3.33Å
450A82.9Confident73.6Confident60 Ų6069.6 Ų69.650%0.49639%0.392SS..THydrogen-bonded Turntrans-76.5-8.5176.700000114.2S446 L447 T448 V452S446-A450 VanDerWaalsContact O-CB 3.27Å; S446-A450 WeakPolarHBondContact O-CB 3.38Å; S446-A450 PolarHBondContact O-N 3.43Å; L447-A450 PolarHBondContact O-N 3.42Å; T448-A450 VanDerWaalsContact C-N 3.29Å; T448-A450 PolarHBondContact O-N 3.05Å; A450-V452 HydrophobicContact CB-CG2 3.75Å; A450-V452 WeakPolarHBondContact O-CG2 3.4Å; A450-V452 PolarHBondContact O-N 2.97Å; A450-V452 VanDerWaalsContact O-N 3.08Å
451K77.2Confident72.9Confident190 Ų19070.4 Ų70.483%0.82639%0.394SS*.THydrogen-bonded Turntrans51.926.1-178.2-62.2-175.5178.9-179.50115.1L447 T448 Q449L447-K451 PolarHBondContact O-N 3.44Å; T448-K451 PolarHBondContact O-N 3.36Å; T448-K451 VanDerWaalsContact O-N 3.13Å; Q449-K451 VanDerWaalsContact C-N 3.28Å; Q449-K451 PolarHBondContact O-N 3.33Å
452V74.7Confident72.4Confident110 Ų11073.6 Ų73.667%0.66741%0.405SS*.  trans-78.1-25.9-173.31790000112.6A450A450-V452 HydrophobicContact CB-CG2 3.75Å; A450-V452 WeakPolarHBondContact O-CG2 3.4Å; A450-V452 PolarHBondContact O-N 2.97Å; A450-V452 VanDerWaalsContact O-N 3.08Å
453I64.4Low71.6Confident50 Ų5071.1 Ų71.126%0.25640%0.395SS..SBendtrans-105.2136.3-166.9-52.5-175.8000111.1L447 L458 L461L447-I453 HydrophobicContact CB-CD1 3.76Å; L447-I453 HydrophobicContact CB-CG1 4.37Å; L447-I453 HydrophobicContact CD1-CD1 3.76Å; L447-I453 HydrophobicContact CD2-CD1 4.05Å; L447-I453 HydrophobicContact CD2-CG1 4.49Å; L447-I453 HydrophobicContact CG-CD1 4.04Å; I453-L458 HydrophobicContact CB-CD2 4.31Å; I453-L458 HydrophobicContact CB-CG 4.2Å; I453-L458 HydrophobicContact CG2-CG 4.39Å; I453-L461 HydrophobicContact CD1-CD1 3.83Å
454K62.1Low70.9Confident174 Ų17470.3 Ų70.376%0.75739%0.388SS*.  trans-54.3149.6168.8-69.5-177.4179.7-179.90110.4L456 G457 L458K454-L456 PolarHBondContact O-N 3.31Å; K454-G457 PolarHBondContact O-N 2.99Å; K454-L458 PolarHBondContact O-N 3.43Å
455P59.3Low70.6Confident105 Ų10571 Ų7168%0.68239%0.391SS*.Hα-helixtrans-49.2-34-179.516.8-30.7000113.9G457 L458 S459P455-G457 PolarHBondContact O-N 3.1Å; P455-L458 WeakPolarHBondContact O-CB 3.47Å; P455-L458 PolarHBondContact O-N 3.24Å; P455-S459 PolarHBondContact O-N 3.48Å; P455-S459 VanDerWaalsContact O-N 3.09Å; P455-S459 PolarHBondContact O-OG 3.35Å
456L55.7Low70.2Confident79 Ų7969.4 Ų69.441%0.41438%0.382SS..Hα-helixtrans-65.1-40.6178.3-150.879.9000114.2K454 L458 S459 V460K454-L456 PolarHBondContact O-N 3.31Å; L456-L458 VanDerWaalsContact C-N 3.25Å; L456-L458 PolarHBondContact O-N 3.19Å; L456-S459 PolarHBondContact O-N 2.81Å; L456-V460 PolarHBondContact O-N 2.98Å
457G60.9Low69.7Low27 Ų2768.6 Ų68.628%0.27837%0.373SS..Hα-helixtrans-70.6-28.3177.700000111.6K454 P455 L461K454-G457 PolarHBondContact O-N 2.99Å; P455-G457 PolarHBondContact O-N 3.1Å; G457-L461 WeakPolarHBondContact O-CG 3.38Å; G457-L461 PolarHBondContact O-N 3.07Å
458L64.4Low69.3Low35 Ų3565.9 Ų65.918%0.18336%0.358CS..Hα-helixtrans-66.7-41.5172.6-65.2165.6000111T448 I453 K454 P455 L456 V460 L461 R462T448-L458 HydrophobicContact CG2-CD2 3.45Å; T448-L458 VanDerWaalsContact CG2-CD2 3.45Å; I453-L458 HydrophobicContact CB-CD2 4.31Å; I453-L458 HydrophobicContact CB-CG 4.2Å; I453-L458 HydrophobicContact CG2-CG 4.39Å; K454-L458 PolarHBondContact O-N 3.43Å; P455-L458 WeakPolarHBondContact O-CB 3.47Å; P455-L458 PolarHBondContact O-N 3.24Å; L456-L458 VanDerWaalsContact C-N 3.25Å; L456-L458 PolarHBondContact O-N 3.19Å; L458-V460 PolarHBondContact O-N 2.86Å; L458-L461 PolarHBondContact O-N 3.49Å; L458-R462 VanDerWaalsContact O-CG 3.32Å; L458-R462 WeakPolarHBondContact O-CG 3.34Å; L458-R462 PolarHBondContact O-N 2.9Å
459S66.4Low69.4Low27 Ų2763.9 Ų63.919%0.18935%0.346CS..Hα-helixtrans-62.5-41.3177-57.10000113.5P455 L456 R462 A463P455-S459 PolarHBondContact O-N 3.48Å; P455-S459 VanDerWaalsContact O-N 3.09Å; P455-S459 PolarHBondContact O-OG 3.35Å; L456-S459 PolarHBondContact O-N 2.81Å; S459-R462 WeakPolarHBondContact O-CB 3.43Å; S459-R462 PolarHBondContact O-N 3.36Å; S459-A463 PolarHBondContact O-N 3.46Å
460V67.1Low69.1Low88 Ų8859.9 Ų59.953%0.53333%0.326SS..Hα-helixtrans-66.9-38.8177.8179.20000111.3L456 L458 A463 A464 L853L456-V460 PolarHBondContact O-N 2.98Å; L458-V460 PolarHBondContact O-N 2.86Å; V460-A463 WeakPolarHBondContact O-CB 3.35Å; V460-A463 PolarHBondContact O-N 2.88Å; V460-A464 PolarHBondContact O-N 2.97Å; V460-L853 HydrophobicContact CG2-CD2 4.31Å
461L68.8Low68.6Low49 Ų4957.8 Ų57.826%0.25731%0.306SS..Hα-helixtrans-68.6-37.3175.6-69172.3000111.8E444 L447 I453 G457 L458 A463 A464E444-L461 HydrophobicContact CB-CB 4.35Å; E444-L461 HydrophobicContact CG-CB 3.9Å; L447-L461 HydrophobicContact CD1-CD1 4.14Å; I453-L461 HydrophobicContact CD1-CD1 3.83Å; G457-L461 WeakPolarHBondContact O-CG 3.38Å; G457-L461 PolarHBondContact O-N 3.07Å; L458-L461 PolarHBondContact O-N 3.49Å; L461-A463 VanDerWaalsContact C-N 3.26Å; L461-A463 PolarHBondContact O-N 3.45Å; L461-A464 WeakPolarHBondContact O-CB 3.39Å; L461-A464 PolarHBondContact O-N 3.27Å
462R69.1Low68.5Low70 Ų7050.2 Ų50.226%0.26427%0.274SS..Hα-helixtrans-58.3-39.5170.2-73.5174.8-174.1-165.6-0.3111.3E444 L458 S459 A464 R465E444-R462 WeakPolarHBondContact OE1-CG 3.45Å; L458-R462 VanDerWaalsContact O-CG 3.32Å; L458-R462 WeakPolarHBondContact O-CG 3.34Å; L458-R462 PolarHBondContact O-N 2.9Å; S459-R462 WeakPolarHBondContact O-CB 3.43Å; S459-R462 PolarHBondContact O-N 3.36Å; R462-A464 PolarHBondContact O-N 3.29Å; R462-R465 VanDerWaalsContact O-CB 3.23Å; R462-R465 WeakPolarHBondContact O-CB 3.17Å; R462-R465 WeakPolarHBondContact O-CD 3.48Å; R462-R465 WeakPolarHBondContact O-CG 3.31Å; R462-R465 PolarHBondContact O-N 3.06Å; R462-R465 VanDerWaalsContact O-N 3.11Å
463A68.6Low68.3Low16 Ų1645.4 Ų45.413%0.13225%0.245CC..Hα-helixtrans-63.7-25.8174.900000113.1S459 V460 L461 R465 L466 I849S459-A463 PolarHBondContact O-N 3.46Å; V460-A463 WeakPolarHBondContact O-CB 3.35Å; V460-A463 PolarHBondContact O-N 2.88Å; L461-A463 VanDerWaalsContact C-N 3.26Å; L461-A463 PolarHBondContact O-N 3.45Å; A463-R465 PolarHBondContact O-N 2.84Å; A463-R465 VanDerWaalsContact O-N 3.17Å; A463-L466 VanDerWaalsContact O-CB 3.25Å; A463-L466 WeakPolarHBondContact O-CB 3.39Å; A463-L466 WeakPolarHBondContact O-CG 3.44Å; A463-L466 PolarHBondContact O-N 3.07Å; A463-I849 HydrophobicContact CB-CG1 4.36Å
464A67.6Low68.6Low25 Ų2547 Ų4721%0.20725%0.248CC..G310 helixtrans-63.3-20.1174.900000112.9V460 L461 R462 L466 L467V460-A464 PolarHBondContact O-N 2.97Å; L461-A464 WeakPolarHBondContact O-CB 3.39Å; L461-A464 PolarHBondContact O-N 3.27Å; R462-A464 PolarHBondContact O-N 3.29Å; A464-L466 PolarHBondContact O-N 3.32Å; A464-L467 HydrophobicContact CB-CD1 4.42Å; A464-L467 VanDerWaalsContact O-CB 3.23Å; A464-L467 WeakPolarHBondContact O-CB 3.36Å; A464-L467 WeakPolarHBondContact O-CG 3.23Å; A464-L467 PolarHBondContact O-N 3.46Å
465R72.2Confident68.9Low17 Ų1740.5 Ų40.56%0.06422%0.219CC..G310 helixtrans-59.3-28.7172.6-59.9172.1-175.4-176-0.9111.9N402 E444 R462 A463 L467 R468N402-R465 PolarHBondContact ND2-NH1 3.08Å; E444-R465 IonicContact OE1-CZ 3.47Å; E444-R465 VanDerWaalsContact OE1-CZ 3.23Å; E444-R465 IonicContact OE1-NE 2.61Å; E444-R465 PolarHBondContact OE1-NE 3.02Å; E444-R465 IonicContact OE1-NH2 2.72Å; E444-R465 PolarHBondContact OE1-NH2 2.85Å; E444-R465 IonicContact OE2-CZ 3.54Å; E444-R465 IonicContact OE2-NE 2.66Å; E444-R465 PolarHBondContact OE2-NE 3.45Å; E444-R465 IonicContact OE2-NH2 3.67Å; R462-R465 VanDerWaalsContact O-CB 3.23Å; R462-R465 WeakPolarHBondContact O-CB 3.17Å; R462-R465 WeakPolarHBondContact O-CD 3.48Å; R462-R465 WeakPolarHBondContact O-CG 3.31Å; R462-R465 PolarHBondContact O-N 3.06Å; R462-R465 VanDerWaalsContact O-N 3.11Å; A463-R465 PolarHBondContact O-N 2.84Å; A463-R465 VanDerWaalsContact O-N 3.17Å; R465-L467 PolarHBondContact O-N 3.32Å; R465-R468 WeakPolarHBondContact O-CB 3.3Å; R465-R468 WeakPolarHBondContact O-CD 3.45Å; R465-R468 VanDerWaalsContact O-CG 3.24Å; R465-R468 WeakPolarHBondContact O-CG 3.2Å; R465-R468 PolarHBondContact O-N 2.78Å; R465-R468 VanDerWaalsContact O-N 3.16Å
466L71.8Confident69.4Low4 Ų440.4 Ų40.42%0.02121%0.205CC..G310 helixtrans-65.4-20.8176.7-65.6166.8000113.4L383 A463 A464 R468 I469 M845 I848 I849L383-L466 HydrophobicContact CD1-CD2 3.59Å; L383-L466 HydrophobicContact CD1-CG 4.28Å; A463-L466 VanDerWaalsContact O-CB 3.25Å; A463-L466 WeakPolarHBondContact O-CB 3.39Å; A463-L466 WeakPolarHBondContact O-CG 3.44Å; A463-L466 PolarHBondContact O-N 3.07Å; A464-L466 PolarHBondContact O-N 3.32Å; L466-R468 PolarHBondContact O-N 2.89Å; L466-I469 HydrophobicContact CB-CD1 4.45Å; L466-I469 HydrophobicContact CD2-CD1 3.71Å; L466-I469 VanDerWaalsContact O-CB 3.31Å; L466-I469 WeakPolarHBondContact O-CB 3.19Å; L466-I469 WeakPolarHBondContact O-CG1 3.48Å; L466-I469 PolarHBondContact O-N 2.81Å; L466-M845 HydrophobicContact CB-CE 4.42Å; L466-I848 HydrophobicContact CD1-CB 3.91Å; L466-I848 HydrophobicContact CD1-CG2 3.91Å; L466-I848 HydrophobicContact CD2-CB 3.8Å; L466-I848 HydrophobicContact CD2-CD1 3.56Å; L466-I848 HydrophobicContact CD2-CG1 4.29Å; L466-I848 HydrophobicContact CD2-CG2 3.65Å; L466-I848 HydrophobicContact CG-CB 4.5Å; L466-I848 HydrophobicContact CG-CG2 4.25Å; L466-I849 HydrophobicContact CD1-CB 4.43Å; L466-I849 HydrophobicContact CD1-CD1 4.28Å; L466-I849 HydrophobicContact CD1-CG1 3.36Å
467L72.4Confident70.2Confident48 Ų4841.1 Ų41.125%0.25121%0.209SC..G310 helixtrans-59.6-20174.9-64.3178.3000112F433 F436 V437 A464 R465 I469 F470F433-L467 VanDerWaalsContact CE1-O 3.29Å; F433-L467 WeakPolarHBondContact CE1-O 3.2Å; F433-L467 HydrophobicContact CZ-CB 3.88Å; F433-L467 HydrophobicContact CZ-CD2 4.49Å; F433-L467 VanDerWaalsContact CZ-O 3.29Å; F433-L467 WeakPolarHBondContact CZ-O 3.28Å; F436-L467 HydrophobicContact CE1-CD1 4.26Å; V437-L467 HydrophobicContact CG1-CB 4.5Å; V437-L467 HydrophobicContact CG2-CB 3.72Å; V437-L467 HydrophobicContact CG2-CD1 4.49Å; A464-L467 HydrophobicContact CB-CD1 4.42Å; A464-L467 VanDerWaalsContact O-CB 3.23Å; A464-L467 WeakPolarHBondContact O-CB 3.36Å; A464-L467 WeakPolarHBondContact O-CG 3.23Å; A464-L467 PolarHBondContact O-N 3.46Å; R465-L467 PolarHBondContact O-N 3.32Å; L467-I469 VanDerWaalsContact C-N 3.26Å; L467-I469 PolarHBondContact O-N 2.92Å; L467-F470 HydrophobicContact CD2-CD2 4.05Å; L467-F470 HydrophobicContact CD2-CE2 4.08Å; L467-F470 WeakPolarHBondContact O-CB 3.25Å; L467-F470 PolarHBondContact O-N 3.12Å
468R75Confident70.6Confident2 Ų241.9 Ų41.91%0.00821%0.21CC..G310 helixtrans-63.4-29.4173.3-62.8167.4-171.8174.810112.9V376 N379 F409 V437 S441 R465 L466 F470 K471V376-R468 WeakPolarHBondContact CG1-O 3.49Å; N379-R468 PolarHBondContact ND2-NH1 2.93Å; N379-R468 WeakPolarHBondContact OD1-CD 3.18Å; N379-R468 PolarHBondContact OD1-NH1 3.39Å; N379-R468 VanDerWaalsContact OD1-NH1 3.14Å; F409-R468 HydrophobicContact CE2-CG 4.47Å; V437-R468 HydrophobicContact CG1-CG 3.55Å; S441-R468 PolarHBondContact OG-NH2 2.99Å; R465-R468 WeakPolarHBondContact O-CB 3.3Å; R465-R468 WeakPolarHBondContact O-CD 3.45Å; R465-R468 VanDerWaalsContact O-CG 3.24Å; R465-R468 WeakPolarHBondContact O-CG 3.2Å; R465-R468 PolarHBondContact O-N 2.78Å; R465-R468 VanDerWaalsContact O-N 3.16Å; L466-R468 PolarHBondContact O-N 2.89Å; R468-F470 PolarHBondContact O-N 3.45Å; R468-K471 VanDerWaalsContact O-CB 3.22Å; R468-K471 WeakPolarHBondContact O-CB 3.45Å; R468-K471 WeakPolarHBondContact O-CG 3.41Å; R468-K471 PolarHBondContact O-N 3.18Å
469I75.8Confident70.9Confident10 Ų1040.9 Ų40.95%0.05121%0.205CC..G310 helixtrans-59.7-33.4176.4-61.9170.3000110.2T380 L466 L467 K471 I472 M841 M845T380-I469 HydrophobicContact CG2-CD1 3.72Å; T380-I469 HydrophobicContact CG2-CG1 3.9Å; T380-I469 WeakPolarHBondContact OG1-CG1 3.38Å; L466-I469 HydrophobicContact CB-CD1 4.45Å; L466-I469 HydrophobicContact CD2-CD1 3.71Å; L466-I469 VanDerWaalsContact O-CB 3.31Å; L466-I469 WeakPolarHBondContact O-CB 3.19Å; L466-I469 WeakPolarHBondContact O-CG1 3.48Å; L466-I469 PolarHBondContact O-N 2.81Å; L467-I469 VanDerWaalsContact C-N 3.26Å; L467-I469 PolarHBondContact O-N 2.92Å; I469-K471 PolarHBondContact O-N 3.37Å; I469-K471 VanDerWaalsContact O-N 3.07Å; I469-I472 HydrophobicContact CG2-CD1 4.24Å; I469-I472 WeakPolarHBondContact O-CB 3.45Å; I469-I472 WeakPolarHBondContact O-CG1 3.34Å; I469-I472 PolarHBondContact O-N 2.95Å; I469-M841 HydrophobicContact CG2-CE 4.21Å; I469-M845 HydrophobicContact CB-CE 4.33Å; I469-M845 HydrophobicContact CB-SD 4.39Å; I469-M845 HydrophobicContact CD1-CG 4.04Å; I469-M845 HydrophobicContact CG2-CG 4.43Å; I469-M845 HydrophobicContact CG2-SD 4.15Å
470F73.7Confident71.1Confident71 Ų7144.3 Ų44.331%0.31121%0.214SC..G310 helixtrans-64.1-12.4175.6-74.1-65.5000113.6F433 L467 R468 I472 T473 M845F433-F470 HydrophobicContact CE1-CB 3.77Å; F433-F470 HydrophobicContact CZ-CB 3.77Å; F433-F470 HydrophobicContact CZ-CD2 4.13Å; F433-F470 HydrophobicContact CZ-CG 4.35Å; L467-F470 HydrophobicContact CD2-CD2 4.05Å; L467-F470 HydrophobicContact CD2-CE2 4.08Å; L467-F470 WeakPolarHBondContact O-CB 3.25Å; L467-F470 PolarHBondContact O-N 3.12Å; R468-F470 PolarHBondContact O-N 3.45Å; F470-I472 PolarHBondContact O-N 3.32Å; F470-T473 HydrophobicContact CB-CG2 4.45Å; F470-T473 HydrophobicContact CD1-CG2 3.91Å; F470-T473 VanDerWaalsContact O-CB 3.32Å; F470-T473 WeakPolarHBondContact O-CB 3.25Å; F470-T473 WeakPolarHBondContact O-CG2 3.38Å; F470-T473 PolarHBondContact O-N 3.03Å; F470-T473 PolarHBondContact O-OG1 2.87Å; F470-M845 HydrophobicContact CD2-CE 3.87Å; F470-M845 HydrophobicContact CE1-SD 4.36Å; F470-M845 HydrophobicContact CE2-CE 3.42Å; F470-M845 VanDerWaalsContact CE2-CE 3.42Å; F470-M845 HydrophobicContact CE2-SD 4.23Å; F470-M845 HydrophobicContact CZ-CE 3.8Å; F470-M845 HydrophobicContact CZ-SD 4.02Å
471K73.5Confident71.2Confident17 Ų1744.6 Ų44.67%0.07421%0.212CC..G310 helixtrans-58.6-28.3169.2-71.9-171.6169.7-169.10112.1V376 F409 E412 D434 R468 I469 T473 R474 Y475V376-K471 HydrophobicContact CG1-CB 4.49Å; V376-K471 HydrophobicContact CG2-CB 3.94Å; V376-K471 HydrophobicContact CG2-CD 3.73Å; V376-K471 HydrophobicContact CG2-CG 4.38Å; F409-K471 VanDerWaalsContact CD1-NZ 3.35Å; E412-K471 IonicContact OE2-NZ 2.83Å; E412-K471 PolarHBondContact OE2-NZ 3.06Å; D434-K471 WeakPolarHBondContact OD1-CE 3.48Å; D434-K471 IonicContact OD1-NZ 3.9Å; D434-K471 PolarHBondContact OD1-NZ 2.79Å; D434-K471 IonicContact OD2-NZ 3.27Å; R468-K471 VanDerWaalsContact O-CB 3.22Å; R468-K471 WeakPolarHBondContact O-CB 3.45Å; R468-K471 WeakPolarHBondContact O-CG 3.41Å; R468-K471 PolarHBondContact O-N 3.18Å; I469-K471 PolarHBondContact O-N 3.37Å; I469-K471 VanDerWaalsContact O-N 3.07Å; K471-T473 PolarHBondContact O-N 3.03Å; K471-R474 WeakPolarHBondContact O-CB 3.43Å; K471-R474 PolarHBondContact O-N 3.33Å; K471-Y475 VanDerWaalsContact O-CD2 3.25Å; K471-Y475 WeakPolarHBondContact O-CD2 3.34Å
472I74.3Confident71Confident30 Ų3043.5 Ų43.515%0.15421%0.207CC..Hα-helixtrans-59.3-32.3175.8-61.9172.2000111.3L373 V376 I469 F470 R474 Y475 W476 L479 M841L373-I472 HydrophobicContact CD1-CG1 4.21Å; V376-I472 HydrophobicContact CG1-CG1 4.18Å; I469-I472 HydrophobicContact CG2-CD1 4.24Å; I469-I472 WeakPolarHBondContact O-CB 3.45Å; I469-I472 WeakPolarHBondContact O-CG1 3.34Å; I469-I472 PolarHBondContact O-N 2.95Å; F470-I472 PolarHBondContact O-N 3.32Å; I472-R474 PolarHBondContact O-N 3.18Å; I472-Y475 PolarHBondContact O-N 3.41Å; I472-W476 HydrophobicContact CG2-CE3 4.06Å; I472-W476 PolarHBondContact O-N 2.99Å; I472-L479 HydrophobicContact CG2-CD2 4.48Å; I472-M841 HydrophobicContact CD1-CE 3.95Å; I472-M841 HydrophobicContact CG2-CE 4.4Å
473T70.7Confident71Confident9 Ų942.3 Ų42.36%0.05521%0.207CC..Hα-helixtrans-59.7-31.6179.3670000113F430 F470 K471 Y475 L479 R480 V483F430-T473 WeakPolarHBondContact CE1-OG1 3.3Å; F470-T473 HydrophobicContact CB-CG2 4.45Å; F470-T473 HydrophobicContact CD1-CG2 3.91Å; F470-T473 VanDerWaalsContact O-CB 3.32Å; F470-T473 WeakPolarHBondContact O-CB 3.25Å; F470-T473 WeakPolarHBondContact O-CG2 3.38Å; F470-T473 PolarHBondContact O-N 3.03Å; F470-T473 PolarHBondContact O-OG1 2.87Å; K471-T473 PolarHBondContact O-N 3.03Å; T473-Y475 PolarHBondContact O-N 3.22Å; T473-L479 HydrophobicContact CG2-CD2 3.6Å; T473-L479 HydrophobicContact CG2-CG 3.88Å; T473-R480 WeakPolarHBondContact O-CB 3.44Å; T473-V483 HydrophobicContact CG2-CG2 4.39Å
474R70.9Confident71Confident83 Ų8343.7 Ų43.731%0.31322%0.218SC..Hα-helixtrans-64.8-32.4177.3180179.3173.5156.80.1111.7F430 N431 K471 I472F430-R474 HydrophobicContact CD1-CB 4.22Å; F430-R474 HydrophobicContact CE1-CB 4.47Å; F430-R474 HydrophobicContact CG-CB 4.37Å; F430-R474 HydrophobicContact CG-CG 4.44Å; N431-R474 PolarHBondContact OD1-NH1 2.94Å; K471-R474 WeakPolarHBondContact O-CB 3.43Å; K471-R474 PolarHBondContact O-N 3.33Å; I472-R474 PolarHBondContact O-N 3.18Å
475Y67.9Low70.8Confident38 Ų3843.7 Ų43.715%0.14922%0.217CC..Hα-helixtrans-98.1-24.1-167.8-58.7-45.4000112.4Y369 V372 L373 K471 I472 T473Y369-Y475 AromaticContact CD2-CD1 3.36Å; Y369-Y475 HydrophobicContact CD2-CD1 3.36Å; Y369-Y475 AromaticContact CD2-CE1 3.61Å; Y369-Y475 HydrophobicContact CD2-CE1 3.61Å; Y369-Y475 HydrophobicContact CD2-CG 4.08Å; Y369-Y475 AromaticContact CE2-CD1 3.12Å; Y369-Y475 HydrophobicContact CE2-CD1 3.12Å; Y369-Y475 HydrophobicContact CE2-CD2 4.5Å; Y369-Y475 AromaticContact CE2-CE1 3.89Å; Y369-Y475 HydrophobicContact CE2-CE1 3.89Å; Y369-Y475 AromaticContact CE2-CG 3.48Å; Y369-Y475 HydrophobicContact CE2-CG 3.48Å; Y369-Y475 VanDerWaalsContact CE2-CG 3.48Å; V372-Y475 HydrophobicContact CG1-CE2 4.36Å; V372-Y475 WeakPolarHBondContact CG1-OH 3.14Å; L373-Y475 HydrophobicContact CD1-CD2 4.12Å; K471-Y475 VanDerWaalsContact O-CD2 3.25Å; K471-Y475 WeakPolarHBondContact O-CD2 3.34Å; I472-Y475 PolarHBondContact O-N 3.41Å; T473-Y475 PolarHBondContact O-N 3.22Å
476W70.7Confident70.6Confident103 Ų10344 Ų4439%0.3922%0.219SC..  trans-103.2102.4-178.8-151.15.8000111.6I472 S478 L479 R480 L837 M841I472-W476 HydrophobicContact CG2-CE3 4.06Å; I472-W476 PolarHBondContact O-N 2.99Å; W476-S478 VanDerWaalsContact C-N 3.28Å; W476-S478 PolarHBondContact O-N 3.27Å; W476-L479 HydrophobicContact CB-CB 4.03Å; W476-L479 HydrophobicContact CD2-CB 4.47Å; W476-L479 HydrophobicContact CE3-CB 4.26Å; W476-L479 HydrophobicContact CE3-CD2 4.2Å; W476-L479 HydrophobicContact CG-CB 4.37Å; W476-L479 PolarHBondContact O-N 3.47Å; W476-L479 VanDerWaalsContact O-N 3.09Å; W476-R480 PolarHBondContact O-N 3.49Å; W476-L837 HydrophobicContact CH2-CD2 3.11Å; W476-L837 HydrophobicContact CH2-CG 3.83Å; W476-L837 HydrophobicContact CZ2-CD2 3.51Å; W476-L837 HydrophobicContact CZ3-CD2 4.04Å; W476-L837 HydrophobicContact CZ3-CG 4.36Å; W476-M841 HydrophobicContact CZ3-SD 3.82Å
477N72.3Confident70.5Confident94 Ų9449 Ų4950%0.50325%0.246SC..Hα-helixtrans-54.9-40.1-175.3-72.2-22.1000113.4R480 N481N477-R480 PolarHBondContact O-N 3.18Å; N477-R480 PolarHBondContact OD1-NH1 3.28Å; N477-R480 PolarHBondContact OD1-NH2 3.45Å; N477-N481 WeakPolarHBondContact O-CB 3.48Å; N477-N481 PolarHBondContact O-N 3.49Å; N477-N481 PolarHBondContact O-OD1 3.38Å
478S68.3Low70.3Confident44 Ų4451.9 Ų51.931%0.30826%0.262SS..Hα-helixtrans-64.1-45.4178-179.50000111.7W476 N481 L482W476-S478 VanDerWaalsContact C-N 3.28Å; W476-S478 PolarHBondContact O-N 3.27Å; S478-N481 PolarHBondContact O-N 2.94Å; S478-L482 VanDerWaalsContact O-CB 3.28Å; S478-L482 WeakPolarHBondContact O-CB 3.25Å; S478-L482 PolarHBondContact O-N 3.32Å
479L70.7Confident70Confident13 Ų1352 Ų527%0.06826%0.263CS..Hα-helixtrans-66.1-38.6176.4-176.861.5000111.4I472 T473 W476 L482 V483 V838I472-L479 HydrophobicContact CG2-CD2 4.48Å; T473-L479 HydrophobicContact CG2-CD2 3.6Å; T473-L479 HydrophobicContact CG2-CG 3.88Å; W476-L479 HydrophobicContact CB-CB 4.03Å; W476-L479 HydrophobicContact CD2-CB 4.47Å; W476-L479 HydrophobicContact CE3-CB 4.26Å; W476-L479 HydrophobicContact CE3-CD2 4.2Å; W476-L479 HydrophobicContact CG-CB 4.37Å; W476-L479 PolarHBondContact O-N 3.47Å; W476-L479 VanDerWaalsContact O-N 3.09Å; L479-L482 PolarHBondContact O-N 2.94Å; L479-V483 HydrophobicContact CD1-CG2 4.19Å; L479-V483 HydrophobicContact CG-CG2 4.4Å; L479-V483 WeakPolarHBondContact O-CB 3.31Å; L479-V483 VanDerWaalsContact O-CG2 3.23Å; L479-V483 WeakPolarHBondContact O-CG2 3.49Å; L479-V483 PolarHBondContact O-N 3.41Å; L479-V838 HydrophobicContact CD1-CB 4.23Å; L479-V838 HydrophobicContact CD1-CG1 3.72Å; L479-V838 HydrophobicContact CD1-CG2 3.52Å
480R71.9Confident69.8Low100 Ų10054.9 Ų54.938%0.37728%0.278SS..Hα-helixtrans-61-49.3175.5-171.7-179.568.7-161.82111.9F430 T473 W476 N477 L482 V483 A484F430-R480 HydrophobicContact CZ-CG 4.21Å; T473-R480 WeakPolarHBondContact O-CB 3.44Å; W476-R480 PolarHBondContact O-N 3.49Å; N477-R480 PolarHBondContact O-N 3.18Å; N477-R480 PolarHBondContact OD1-NH1 3.28Å; N477-R480 PolarHBondContact OD1-NH2 3.45Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-V483 PolarHBondContact O-N 3.09Å; R480-A484 WeakPolarHBondContact O-CB 3.28Å; R480-A484 PolarHBondContact O-N 3.31Å
481N67.8Low69.7Low93 Ų9362 Ų6250%0.49730%0.303SS..Hα-helixtrans-65.5-39.3-179.8-67.8-1.9000110.4N477 S478 A484 S485N477-N481 WeakPolarHBondContact O-CB 3.48Å; N477-N481 PolarHBondContact O-N 3.49Å; N477-N481 PolarHBondContact O-OD1 3.38Å; S478-N481 PolarHBondContact O-N 2.94Å; N481-A484 PolarHBondContact O-N 3.1Å; N481-S485 WeakPolarHBondContact O-CB 3.32Å; N481-S485 PolarHBondContact O-N 2.84Å
482L66.4Low69.4Low27 Ų2762.8 Ų62.814%0.14131%0.31CS..Hα-helixtrans-62.8-53174.2-166.7153.6000110.2S478 L479 R480 A484 S485 L486 I835 V838S478-L482 VanDerWaalsContact O-CB 3.28Å; S478-L482 WeakPolarHBondContact O-CB 3.25Å; S478-L482 PolarHBondContact O-N 3.32Å; L479-L482 PolarHBondContact O-N 2.94Å; R480-L482 VanDerWaalsContact C-N 3.31Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.92Å; L482-S485 CarbonylContact O-C 3.6Å; L482-S485 WeakPolarHBondContact O-CA 3.45Å; L482-S485 WeakPolarHBondContact O-CB 3.23Å; L482-S485 PolarHBondContact O-N 3.14Å; L482-L486 HydrophobicContact CD2-CD1 3.45Å; L482-L486 VanDerWaalsContact CD2-CD1 3.45Å; L482-L486 HydrophobicContact CD2-CD2 4.01Å; L482-L486 HydrophobicContact CD2-CG 3.7Å; L482-L486 VanDerWaalsContact O-CG 3.31Å; L482-L486 WeakPolarHBondContact O-CG 3.4Å; L482-L486 PolarHBondContact O-N 3.18Å; L482-I835 HydrophobicContact CD1-CG1 4.03Å; L482-V838 HydrophobicContact CD1-CG2 4.07Å; L482-V838 HydrophobicContact CD2-CG1 4.26Å
483V68.3Low69.4Low44 Ų4461.5 Ų61.527%0.26730%0.304SS..Hα-helixtrans-58.4-39.1177.7171.80000112.1T473 L479 R480 L486 L487T473-V483 HydrophobicContact CG2-CG2 4.39Å; L479-V483 HydrophobicContact CD1-CG2 4.19Å; L479-V483 HydrophobicContact CG-CG2 4.4Å; L479-V483 WeakPolarHBondContact O-CB 3.31Å; L479-V483 VanDerWaalsContact O-CG2 3.23Å; L479-V483 WeakPolarHBondContact O-CG2 3.49Å; L479-V483 PolarHBondContact O-N 3.41Å; R480-V483 PolarHBondContact O-N 3.09Å; V483-L486 PolarHBondContact O-N 3.32Å; V483-L487 HydrophobicContact CG1-CD1 4.09Å; V483-L487 HydrophobicContact CG1-CG 4.43Å; V483-L487 WeakPolarHBondContact O-CB 3.05Å; V483-L487 WeakPolarHBondContact O-CG 3.48Å; V483-L487 PolarHBondContact O-N 2.63Å
484A67.5Low69.8Low45 Ų4565.3 Ų65.337%0.37233%0.327SS..Hα-helixtrans-63.7-44174.700000111.7R480 N481 L482 L487 N488R480-A484 WeakPolarHBondContact O-CB 3.28Å; R480-A484 PolarHBondContact O-N 3.31Å; N481-A484 PolarHBondContact O-N 3.1Å; L482-A484 VanDerWaalsContact C-N 3.29Å; L482-A484 PolarHBondContact O-N 2.92Å; A484-L487 PolarHBondContact O-N 3.39Å; A484-N488 VanDerWaalsContact O-CG 3.27Å; A484-N488 PolarHBondContact O-N 3.02Å; A484-N488 PolarHBondContact O-ND2 3.35Å
485S64.9Low69.9Low26 Ų2662.8 Ų62.818%0.18232%0.322CS..Hα-helixtrans-62.5-41.8173.4177.30000111.7N481 L482 L487 N488 S489N481-S485 WeakPolarHBondContact O-CB 3.32Å; N481-S485 PolarHBondContact O-N 2.84Å; L482-S485 CarbonylContact O-C 3.6Å; L482-S485 WeakPolarHBondContact O-CA 3.45Å; L482-S485 WeakPolarHBondContact O-CB 3.23Å; L482-S485 PolarHBondContact O-N 3.14Å; S485-L487 PolarHBondContact O-N 2.94Å; S485-N488 PolarHBondContact O-N 2.9Å; S485-S489 PolarHBondContact O-N 3.15Å; S485-S489 PolarHBondContact O-OG 3.26Å
486L67.3Low70.3Confident22 Ų2261.8 Ų61.812%0.11532%0.319CS..Hα-helixtrans-61.1-43.9174.2-59.9178.6000112L482 V483 N488 S489 L490 F959 M960 I963L482-L486 HydrophobicContact CD2-CD1 3.45Å; L482-L486 VanDerWaalsContact CD2-CD1 3.45Å; L482-L486 HydrophobicContact CD2-CD2 4.01Å; L482-L486 HydrophobicContact CD2-CG 3.7Å; L482-L486 VanDerWaalsContact O-CG 3.31Å; L482-L486 WeakPolarHBondContact O-CG 3.4Å; L482-L486 PolarHBondContact O-N 3.18Å; V483-L486 PolarHBondContact O-N 3.32Å; L486-N488 VanDerWaalsContact C-N 3.3Å; L486-N488 PolarHBondContact O-N 3Å; L486-S489 WeakPolarHBondContact CA-OG 3.2Å; L486-S489 PolarHBondContact O-N 3.35Å; L486-S489 PolarHBondContact O-OG 3.21Å; L486-S489 VanDerWaalsContact O-OG 3.09Å; L486-L490 WeakPolarHBondContact O-CB 3.19Å; L486-L490 WeakPolarHBondContact O-CG 3.32Å; L486-L490 PolarHBondContact O-N 3.49Å; L486-F959 HydrophobicContact CB-CE1 3.87Å; L486-F959 HydrophobicContact CB-CZ 3.98Å; L486-F959 HydrophobicContact CD1-CE1 3.87Å; L486-F959 HydrophobicContact CD2-CD1 4.12Å; L486-F959 HydrophobicContact CD2-CE1 3.13Å; L486-F959 HydrophobicContact CD2-CE2 4.37Å; L486-F959 HydrophobicContact CD2-CZ 3.28Å; L486-F959 HydrophobicContact CG-CE1 3.74Å; L486-F959 HydrophobicContact CG-CZ 4.08Å; L486-M960 HydrophobicContact CD1-CE 3.77Å; L486-I963 HydrophobicContact CD2-CD1 3.25Å; L486-I963 HydrophobicContact CD2-CG1 4.43Å
487L70.8Confident70.8Confident111 Ų11159.8 Ų59.858%0.58132%0.316SS*.Hα-helixtrans-65.8-35.5178.5-73.2170.7000111.9V483 A484 S485 L490V483-L487 HydrophobicContact CG1-CD1 4.09Å; V483-L487 HydrophobicContact CG1-CG 4.43Å; V483-L487 WeakPolarHBondContact O-CB 3.05Å; V483-L487 WeakPolarHBondContact O-CG 3.48Å; V483-L487 PolarHBondContact O-N 2.63Å; A484-L487 PolarHBondContact O-N 3.39Å; S485-L487 PolarHBondContact O-N 2.94Å; L487-L490 HydrophobicContact CD2-CD1 4.08Å
488N67.4Low71.4Confident108 Ų10859 Ų5958%0.57831%0.311SS*.Hα-helixtrans-69.1-43.6175.4-72.2-19.6000111.8A484 S485 L486 R491A484-N488 VanDerWaalsContact O-CG 3.27Å; A484-N488 PolarHBondContact O-N 3.02Å; A484-N488 PolarHBondContact O-ND2 3.35Å; S485-N488 PolarHBondContact O-N 2.9Å; L486-N488 VanDerWaalsContact C-N 3.3Å; L486-N488 PolarHBondContact O-N 3Å; N488-R491 PolarHBondContact O-N 2.89Å
489S69.4Low72.1Confident4 Ų457.6 Ų57.63%0.02830%0.3CS..Hα-helixtrans-70.8-31.817761.30000112.4S485 L486 R491 S492 I493S485-S489 PolarHBondContact O-N 3.15Å; S485-S489 PolarHBondContact O-OG 3.26Å; L486-S489 WeakPolarHBondContact CA-OG 3.2Å; L486-S489 PolarHBondContact O-N 3.35Å; L486-S489 PolarHBondContact O-OG 3.21Å; L486-S489 VanDerWaalsContact O-OG 3.09Å; S489-R491 PolarHBondContact O-N 3.31Å; S489-S492 PolarHBondContact O-N 3.38Å; S489-S492 PolarHBondContact O-OG 3.41Å; S489-I493 WeakPolarHBondContact O-CB 3.44Å; S489-I493 WeakPolarHBondContact O-CD1 3.45Å; S489-I493 WeakPolarHBondContact O-CG1 3.27Å; S489-I493 PolarHBondContact O-N 3.24Å
490L70.9Confident72.9Confident70 Ų7057.8 Ų57.837%0.36630%0.301SS..Hα-helixtrans-52.1-33.3175.2-85.8169.7000112.5L486 L487 I493 V494L486-L490 WeakPolarHBondContact O-CB 3.19Å; L486-L490 WeakPolarHBondContact O-CG 3.32Å; L486-L490 PolarHBondContact O-N 3.49Å; L487-L490 HydrophobicContact CD2-CD1 4.08Å; L490-I493 PolarHBondContact O-N 3.38Å; L490-V494 WeakPolarHBondContact O-CB 3.38Å; L490-V494 WeakPolarHBondContact O-CG2 3.37Å; L490-V494 PolarHBondContact O-N 3.44Å
491R70.9Confident73.7Confident221 Ų22158.3 Ų58.383%0.83431%0.306SS*.Hα-helixtrans-66.7-39.6178.3-162.1-179.3-158174.78.2113.5N488 S489N488-R491 PolarHBondContact O-N 2.89Å; S489-R491 PolarHBondContact O-N 3.31Å
492S67.6Low74.6Confident33 Ų3354.6 Ų54.623%0.23129%0.286CS..Hα-helixtrans-73.2-40.517457.50000110.5S489 V494 S495 D597S489-S492 PolarHBondContact O-N 3.38Å; S489-S492 PolarHBondContact O-OG 3.41Å; S492-V494 PolarHBondContact O-N 3.35Å; S492-S495 PolarHBondContact O-N 2.76Å; S492-S495 PolarHBondContact O-OG 2.91Å; S492-D597 PolarHBondContact OG-OD2 2.88Å
493I75Confident75.7Confident4 Ų454.9 Ų54.92%0.02129%0.286CS..Hα-helixtrans-64.7-38.8-176.8-64.1168.6000112.9S489 L490 S495 L496 L497 I594 F959S489-I493 WeakPolarHBondContact O-CB 3.44Å; S489-I493 WeakPolarHBondContact O-CD1 3.45Å; S489-I493 WeakPolarHBondContact O-CG1 3.27Å; S489-I493 PolarHBondContact O-N 3.24Å; L490-I493 PolarHBondContact O-N 3.38Å; I493-S495 PolarHBondContact O-N 3.2Å; I493-S495 VanDerWaalsContact O-N 3.12Å; I493-L496 CarbonylContact O-C 3.57Å; I493-L496 WeakPolarHBondContact O-CA 3.11Å; I493-L496 WeakPolarHBondContact O-CB 3.44Å; I493-L496 PolarHBondContact O-N 3.15Å; I493-L497 HydrophobicContact CG2-CD1 3.64Å; I493-L497 HydrophobicContact CG2-CG 3.7Å; I493-L497 PolarHBondContact O-N 3.01Å; I493-I594 HydrophobicContact CD1-CD1 4.03Å; I493-I594 HydrophobicContact CD1-CG1 3.65Å; I493-I594 HydrophobicContact CD1-CG2 4.31Å; I493-I594 HydrophobicContact CG1-CD1 4.13Å; I493-I594 HydrophobicContact CG1-CG1 3.62Å; I493-I594 HydrophobicContact CG2-CD1 4.19Å; I493-F959 HydrophobicContact CD1-CD2 4.2Å; I493-F959 HydrophobicContact CD1-CE2 3.42Å; I493-F959 VanDerWaalsContact CD1-CE2 3.42Å; I493-F959 HydrophobicContact CD1-CZ 4.19Å
494V78.2Confident76.9Confident89 Ų8953.4 Ų53.454%0.53928%0.277SS..Hα-helixtrans-55.2-35.4179.91640000111.5L490 S492 L498L490-V494 WeakPolarHBondContact O-CB 3.38Å; L490-V494 WeakPolarHBondContact O-CG2 3.37Å; L490-V494 PolarHBondContact O-N 3.44Å; S492-V494 PolarHBondContact O-N 3.35Å; V494-L498 VanDerWaalsContact O-CB 3.27Å; V494-L498 WeakPolarHBondContact O-CB 3.2Å; V494-L498 PolarHBondContact O-N 2.94Å
495S73.1Confident78Confident30 Ų3052.1 Ų52.121%0.2126%0.264CS..Hα-helixtrans-68-36.2176.572.90000113.1L111 S492 I493 L499L111-S495 WeakPolarHBondContact CD2-O 3.31Å; S492-S495 PolarHBondContact O-N 2.76Å; S492-S495 PolarHBondContact O-OG 2.91Å; I493-S495 PolarHBondContact O-N 3.2Å; I493-S495 VanDerWaalsContact O-N 3.12Å; S495-L499 PolarHBondContact O-N 3.07Å
496L77.7Confident79.2Confident16 Ų1651.7 Ų51.78%0.08426%0.26CS..Hα-helixtrans-74.6-43.2176.3-76.2162.2000111.8V114 I493 L498 L499 L500 V590 A593V114-L496 HydrophobicContact CG1-CD2 3.37Å; V114-L496 HydrophobicContact CG1-CG 4.24Å; I493-L496 CarbonylContact O-C 3.57Å; I493-L496 WeakPolarHBondContact O-CA 3.11Å; I493-L496 WeakPolarHBondContact O-CB 3.44Å; I493-L496 PolarHBondContact O-N 3.15Å; L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.13Å; L496-L499 WeakPolarHBondContact O-CB 3.45Å; L496-L499 PolarHBondContact O-N 2.83Å; L496-L499 VanDerWaalsContact O-N 3.09Å; L496-L500 PolarHBondContact O-N 3.09Å; L496-V590 HydrophobicContact CB-CG1 4.2Å; L496-V590 HydrophobicContact CB-CG2 3.94Å; L496-V590 HydrophobicContact CD2-CG2 4.19Å; L496-A593 HydrophobicContact CD1-CB 3.57Å
497L81.5Confident80.4Confident62 Ų6251.9 Ų51.933%0.32526%0.26SS..Hα-helixtrans-63.4-34.9174.9-71.7179.2000111.7I493 L499 L500 F501I493-L497 HydrophobicContact CG2-CD1 3.64Å; I493-L497 HydrophobicContact CG2-CG 3.7Å; I493-L497 PolarHBondContact O-N 3.01Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 2.8Å; L497-L500 HydrophobicContact CD2-CD2 4.34Å; L497-L500 PolarHBondContact O-N 3.36Å; L497-F501 VanDerWaalsContact O-CB 3.27Å; L497-F501 WeakPolarHBondContact O-CB 3.35Å; L497-F501 PolarHBondContact O-N 3.3Å
498L83.1Confident81.5Confident76 Ų7646.6 Ų46.640%0.39823%0.232SC..Hα-helixtrans-62.6-39.7172.7-171.279.2000111.3L111 V494 L496 L502L111-L498 HydrophobicContact CD1-CD2 3.93Å; L111-L498 HydrophobicContact CD2-CB 4.49Å; L111-L498 HydrophobicContact CD2-CD2 4.07Å; L111-L498 HydrophobicContact CG-CD2 4.2Å; V494-L498 VanDerWaalsContact O-CB 3.27Å; V494-L498 WeakPolarHBondContact O-CB 3.2Å; V494-L498 PolarHBondContact O-N 2.94Å; L496-L498 VanDerWaalsContact C-N 3.27Å; L496-L498 PolarHBondContact O-N 3.13Å; L498-L502 WeakPolarHBondContact O-CB 3.23Å; L498-L502 PolarHBondContact O-N 3.04Å
499L84.3Confident82.6Confident16 Ų1641.6 Ų41.68%0.08421%0.205CC..Hα-helixtrans-66.7-45.1175.9-177.467.5000111.6L111 V114 I118 S495 L496 L497 F501 L502 F503L111-L499 HydrophobicContact CD2-CB 4.04Å; V114-L499 HydrophobicContact CG1-CD2 3.79Å; I118-L499 HydrophobicContact CD1-CD2 3.44Å; I118-L499 VanDerWaalsContact CD1-CD2 3.44Å; S495-L499 PolarHBondContact O-N 3.07Å; L496-L499 WeakPolarHBondContact O-CB 3.45Å; L496-L499 PolarHBondContact O-N 2.83Å; L496-L499 VanDerWaalsContact O-N 3.09Å; L497-L499 VanDerWaalsContact C-N 3.31Å; L497-L499 PolarHBondContact O-N 2.8Å; L499-F501 VanDerWaalsContact C-N 3.34Å; L499-L502 PolarHBondContact O-N 3.44Å; L499-F503 WeakPolarHBondContact O-CB 3.49Å; L499-F503 PolarHBondContact O-N 3.02Å
500L86.3Confident83.6Confident17 Ų1743.5 Ų43.59%0.08922%0.215CC..Hα-helixtrans-59.6-46.2175.1177.566.6000110.9L496 L497 L502 F503 I504 V586 L587L496-L500 PolarHBondContact O-N 3.09Å; L497-L500 HydrophobicContact CD2-CD2 4.34Å; L497-L500 PolarHBondContact O-N 3.36Å; L500-L502 VanDerWaalsContact C-N 3.34Å; L500-L502 PolarHBondContact O-N 3.44Å; L500-F503 WeakPolarHBondContact O-CB 3.45Å; L500-F503 PolarHBondContact O-N 3.44Å; L500-I504 HydrophobicContact CD1-CD1 4.46Å; L500-I504 HydrophobicContact CG-CD1 4.11Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 3.31Å; L500-I504 PolarHBondContact O-N 3.01Å; L500-V586 HydrophobicContact CB-CG1 4.46Å; L500-V586 HydrophobicContact CD1-CG1 4.12Å; L500-L587 HydrophobicContact CD1-CD2 3.57Å; L500-L587 HydrophobicContact CD1-CG 4Å; L500-L587 HydrophobicContact CD2-CD2 3.44Å; L500-L587 VanDerWaalsContact CD2-CD2 3.44Å; L500-L587 HydrophobicContact CG-CD2 4.14Å
501F88.5Confident84.6Confident111 Ų11140.2 Ų40.249%0.48720%0.197SC..Hα-helixtrans-62-42.1176.9-178.3-108.8000111.7L497 L499 F503 I504 V505 L539L497-F501 VanDerWaalsContact O-CB 3.27Å; L497-F501 WeakPolarHBondContact O-CB 3.35Å; L497-F501 PolarHBondContact O-N 3.3Å; L499-F501 VanDerWaalsContact C-N 3.34Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 3.27Å; F501-I504 PolarHBondContact O-N 3.45Å; F501-V505 HydrophobicContact CD1-CG2 4.27Å; F501-V505 HydrophobicContact CE1-CG2 3.87Å; F501-V505 HydrophobicContact CE2-CG2 4.13Å; F501-V505 HydrophobicContact CZ-CG2 3.8Å; F501-V505 VanDerWaalsContact O-CG2 3.29Å; F501-V505 WeakPolarHBondContact O-CG2 3.44Å; F501-V505 PolarHBondContact O-N 3.36Å; F501-L539 HydrophobicContact CE2-CD1 4.46Å
502L87.7Confident85.4Confident15 Ų1529.8 Ų29.88%0.07916%0.158CC..Hα-helixtrans-60.5-42.2174.5-178.166.5000111.6P101 L104 V105 L498 L499 L500 V505 I506P101-L502 HydrophobicContact CB-CD1 3.85Å; L104-L502 HydrophobicContact CD2-CD1 4.37Å; V105-L502 HydrophobicContact CG2-CD2 3.5Å; V105-L502 VanDerWaalsContact CG2-CD2 3.5Å; L498-L502 WeakPolarHBondContact O-CB 3.23Å; L498-L502 PolarHBondContact O-N 3.04Å; L499-L502 PolarHBondContact O-N 3.44Å; L500-L502 VanDerWaalsContact C-N 3.34Å; L500-L502 PolarHBondContact O-N 3.44Å; L502-V505 PolarHBondContact O-N 3.05Å; L502-I506 HydrophobicContact CD1-CD1 4.38Å; L502-I506 HydrophobicContact CG-CD1 4Å; L502-I506 WeakPolarHBondContact O-CD1 3.48Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.31Å; L502-I506 PolarHBondContact O-N 3.44Å
503F90.2Very high86.3Confident33 Ų3330.6 Ų30.615%0.14516%0.158CC..Hα-helixtrans-60.1-48.6175.4178.9-87.9000111.3L499 L500 F501 V505 I506 F507 L546 L579 C582L499-F503 WeakPolarHBondContact O-CB 3.49Å; L499-F503 PolarHBondContact O-N 3.02Å; L500-F503 WeakPolarHBondContact O-CB 3.45Å; L500-F503 PolarHBondContact O-N 3.44Å; F501-F503 VanDerWaalsContact C-N 3.32Å; F501-F503 PolarHBondContact O-N 3.27Å; F503-V505 VanDerWaalsContact C-N 3.33Å; F503-V505 PolarHBondContact O-N 3.15Å; F503-I506 PolarHBondContact O-N 3.37Å; F503-F507 HydrophobicContact CD1-CD2 4.15Å; F503-F507 HydrophobicContact CD2-CD2 4.13Å; F503-F507 AromaticContact CD2-CE2 3.89Å; F503-F507 HydrophobicContact CD2-CE2 3.89Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.97Å; F503-F507 HydrophobicContact CE1-CE2 3.97Å; F503-F507 AromaticContact CE2-CD2 3.79Å; F503-F507 HydrophobicContact CE2-CD2 3.79Å; F503-F507 AromaticContact CE2-CE2 3.23Å; F503-F507 HydrophobicContact CE2-CE2 3.23Å; F503-F507 HydrophobicContact CE2-CZ 4.12Å; F503-F507 HydrophobicContact CG-CD2 4.3Å; F503-F507 AromaticContact CZ-CD2 3.58Å; F503-F507 HydrophobicContact CZ-CD2 3.58Å; F503-F507 AromaticContact CZ-CE2 3.26Å; F503-F507 HydrophobicContact CZ-CE2 3.26Å; F503-F507 AromaticContact CZ-CZ 3.96Å; F503-F507 HydrophobicContact CZ-CZ 3.96Å; F503-F507 WeakPolarHBondContact O-CD2 3.43Å; F503-F507 PolarHBondContact O-N 3.42Å; F503-F507 VanDerWaalsContact O-N 3.08Å; F503-L546 HydrophobicContact CE1-CD2 4.16Å; F503-L579 HydrophobicContact CE1-CD1 3.75Å; F503-L579 HydrophobicContact CZ-CD1 4.24Å; F503-C582 HydrophobicContact CE2-CB 3.95Å; F503-C582 HydrophobicContact CZ-CB 3.89Å
504I91.9Very high86.8Confident12 Ų1232.8 Ų32.86%0.06217%0.17CC..Hα-helixtrans-57.5-46.7176.5-64.4166.9000110.4L500 F501 I506 F507 A508 L539 V542 F543 L546L500-I504 HydrophobicContact CD1-CD1 4.46Å; L500-I504 HydrophobicContact CG-CD1 4.11Å; L500-I504 VanDerWaalsContact O-CG1 3.3Å; L500-I504 WeakPolarHBondContact O-CG1 3.31Å; L500-I504 PolarHBondContact O-N 3.01Å; F501-I504 PolarHBondContact O-N 3.45Å; I504-I506 VanDerWaalsContact C-N 3.35Å; I504-I506 PolarHBondContact O-N 2.68Å; I504-F507 PolarHBondContact O-N 2.93Å; I504-A508 VanDerWaalsContact O-CB 3.23Å; I504-A508 WeakPolarHBondContact O-CB 3.33Å; I504-A508 PolarHBondContact O-N 3.33Å; I504-L539 HydrophobicContact CB-CD1 4.49Å; I504-L539 HydrophobicContact CG2-CD1 3.45Å; I504-L539 VanDerWaalsContact CG2-CD1 3.45Å; I504-L539 HydrophobicContact CG2-CG 4.13Å; I504-V542 HydrophobicContact CB-CG1 4.39Å; I504-V542 HydrophobicContact CG2-CB 4.28Å; I504-V542 HydrophobicContact CG2-CG1 3.87Å; I504-F543 HydrophobicContact CD1-CD2 4.23Å; I504-L546 HydrophobicContact CD1-CD1 3.85Å; I504-L546 HydrophobicContact CG1-CD1 3.41Å; I504-L546 VanDerWaalsContact CG1-CD1 3.41Å
505V91.2Very high87.3Confident18 Ų1828.5 Ų28.511%0.10914%0.144CC..Hα-helixtrans-61.4-41.7179.7169.90000111.7F501 L502 F503 A508 L509 F535 L539F501-V505 HydrophobicContact CD1-CG2 4.27Å; F501-V505 HydrophobicContact CE1-CG2 3.87Å; F501-V505 HydrophobicContact CE2-CG2 4.13Å; F501-V505 HydrophobicContact CZ-CG2 3.8Å; F501-V505 VanDerWaalsContact O-CG2 3.29Å; F501-V505 WeakPolarHBondContact O-CG2 3.44Å; F501-V505 PolarHBondContact O-N 3.36Å; L502-V505 PolarHBondContact O-N 3.05Å; F503-V505 VanDerWaalsContact C-N 3.33Å; F503-V505 PolarHBondContact O-N 3.15Å; V505-A508 PolarHBondContact O-N 2.95Å; V505-L509 HydrophobicContact CG1-CD1 3.98Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CB 3.09Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.19Å; V505-L509 PolarHBondContact O-N 3.22Å; V505-F535 HydrophobicContact CG1-CE2 4.34Å; V505-F535 HydrophobicContact CG1-CZ 4.4Å; V505-F535 HydrophobicContact CG2-CZ 4.31Å; V505-L539 HydrophobicContact CG2-CD1 4.32Å
506I90.9Very high87.9Confident17 Ų1727.5 Ų27.59%0.08714%0.138CC..Hα-helixtrans-62.4-48.7178.5-69.7162.7000110.4V98 P101 L102 L502 F503 I504 L509 L510V98-I506 HydrophobicContact CG1-CG2 4.19Å; V98-I506 WeakPolarHBondContact CG1-O 3.31Å; P101-I506 HydrophobicContact CB-CG1 4.02Å; P101-I506 HydrophobicContact CG-CG1 4.32Å; L102-I506 HydrophobicContact CD2-CD1 3.5Å; L102-I506 HydrophobicContact CG-CD1 3.74Å; L502-I506 HydrophobicContact CD1-CD1 4.38Å; L502-I506 HydrophobicContact CG-CD1 4Å; L502-I506 WeakPolarHBondContact O-CD1 3.48Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.31Å; L502-I506 PolarHBondContact O-N 3.44Å; F503-I506 PolarHBondContact O-N 3.37Å; I504-I506 VanDerWaalsContact C-N 3.35Å; I504-I506 PolarHBondContact O-N 2.68Å; I506-L509 PolarHBondContact O-N 2.89Å; I506-L510 WeakPolarHBondContact O-CB 3.42Å; I506-L510 PolarHBondContact O-N 3.1Å
507F92.8Very high88.1Confident27 Ų2727.3 Ų27.312%0.11814%0.14CC..Hα-helixtrans-69.5-36.1179.7-83.9-91.9000112.3F503 I504 L509 L510 G511 V542 Y575 V578 L579F503-F507 HydrophobicContact CD1-CD2 4.15Å; F503-F507 HydrophobicContact CD2-CD2 4.13Å; F503-F507 AromaticContact CD2-CE2 3.89Å; F503-F507 HydrophobicContact CD2-CE2 3.89Å; F503-F507 AromaticContact CE1-CD2 3.77Å; F503-F507 HydrophobicContact CE1-CD2 3.77Å; F503-F507 AromaticContact CE1-CE2 3.97Å; F503-F507 HydrophobicContact CE1-CE2 3.97Å; F503-F507 AromaticContact CE2-CD2 3.79Å; F503-F507 HydrophobicContact CE2-CD2 3.79Å; F503-F507 AromaticContact CE2-CE2 3.23Å; F503-F507 HydrophobicContact CE2-CE2 3.23Å; F503-F507 HydrophobicContact CE2-CZ 4.12Å; F503-F507 HydrophobicContact CG-CD2 4.3Å; F503-F507 AromaticContact CZ-CD2 3.58Å; F503-F507 HydrophobicContact CZ-CD2 3.58Å; F503-F507 AromaticContact CZ-CE2 3.26Å; F503-F507 HydrophobicContact CZ-CE2 3.26Å; F503-F507 AromaticContact CZ-CZ 3.96Å; F503-F507 HydrophobicContact CZ-CZ 3.96Å; F503-F507 WeakPolarHBondContact O-CD2 3.43Å; F503-F507 PolarHBondContact O-N 3.42Å; F503-F507 VanDerWaalsContact O-N 3.08Å; I504-F507 PolarHBondContact O-N 2.93Å; F507-L509 PolarHBondContact O-N 2.93Å; F507-L510 PolarHBondContact O-N 3.1Å; F507-G511 PolarHBondContact O-N 2.96Å; F507-V542 HydrophobicContact CB-CG1 4.06Å; F507-V542 HydrophobicContact CB-CG2 4.28Å; F507-Y575 HydrophobicContact CD1-CD2 4.43Å; F507-Y575 AromaticContact CD1-CE2 3.8Å; F507-Y575 HydrophobicContact CD1-CE2 3.8Å; F507-Y575 HydrophobicContact CE1-CE2 4.44Å; F507-Y575 PolarHBondContact O-OH 3.37Å; F507-V578 HydrophobicContact CE1-CG1 4.43Å; F507-V578 HydrophobicContact CZ-CG1 4.2Å; F507-L579 HydrophobicContact CB-CD1 3.9Å; F507-L579 HydrophobicContact CD1-CB 3.88Å; F507-L579 HydrophobicContact CD1-CD1 3.81Å; F507-L579 HydrophobicContact CD1-CD2 4.45Å; F507-L579 HydrophobicContact CD1-CG 4.25Å; F507-L579 HydrophobicContact CD2-CD1 4.23Å; F507-L579 HydrophobicContact CE1-CB 3.97Å; F507-L579 HydrophobicContact CE1-CD1 4.39Å; F507-L579 HydrophobicContact CG-CD1 3.71Å
508A93.1Very high88.2Confident0 Ų029.5 Ų29.50%014%0.144CC..Hα-helixtrans-62-45.2176.100000111.4I504 V505 L510 G511 M512 V542I504-A508 VanDerWaalsContact O-CB 3.23Å; I504-A508 WeakPolarHBondContact O-CB 3.33Å; I504-A508 PolarHBondContact O-N 3.33Å; V505-A508 PolarHBondContact O-N 2.95Å; A508-L510 VanDerWaalsContact C-N 3.35Å; A508-G511 PolarHBondContact O-N 2.91Å; A508-M512 VanDerWaalsContact O-CG 3.31Å; A508-M512 WeakPolarHBondContact O-CG 3.39Å; A508-M512 PolarHBondContact O-N 3Å; A508-V542 HydrophobicContact CB-CG2 4.1Å
509L91.1Very high88.2Confident3 Ų326.2 Ų26.22%0.01613%0.127CC..Hα-helixtrans-65.3-37.3174.4-69.5175.7000112L9 A10 V98 P101 V505 I506 F507 M512 Q513 F535L9-L509 HydrophobicContact CB-CD1 4.2Å; L9-L509 HydrophobicContact CB-CD2 4.07Å; L9-L509 HydrophobicContact CD1-CD1 4.5Å; A10-L509 HydrophobicContact CB-CD2 4.44Å; V98-L509 HydrophobicContact CB-CB 4.49Å; V98-L509 HydrophobicContact CG1-CB 3.68Å; V98-L509 HydrophobicContact CG2-CB 4.09Å; P101-L509 HydrophobicContact CG-CD1 4.29Å; V505-L509 HydrophobicContact CG1-CD1 3.98Å; V505-L509 HydrophobicContact CG1-CG 4.41Å; V505-L509 WeakPolarHBondContact O-CB 3.09Å; V505-L509 VanDerWaalsContact O-CG 3.25Å; V505-L509 WeakPolarHBondContact O-CG 3.19Å; V505-L509 PolarHBondContact O-N 3.22Å; I506-L509 PolarHBondContact O-N 2.89Å; F507-L509 PolarHBondContact O-N 2.93Å; L509-M512 HydrophobicContact CD2-SD 4.28Å; L509-M512 PolarHBondContact O-N 3.02Å; L509-Q513 WeakPolarHBondContact O-CG 3.15Å; L509-Q513 PolarHBondContact O-N 3.12Å; L509-F535 HydrophobicContact CD2-CD2 3.76Å; L509-F535 HydrophobicContact CD2-CE2 3.92Å; L509-F535 HydrophobicContact CG-CD2 4.39Å; L509-F535 HydrophobicContact CG-CE2 4.13Å
510L90.4Very high87.4Confident44 Ų4431.4 Ų31.423%0.2315%0.149CC..Hα-helixtrans-66.7-44.7177.9-175.961.2000110.5A95 V98 I506 F507 A508 M512 Q513 I514 Y575A95-L510 HydrophobicContact CB-CD1 4.39Å; V98-L510 HydrophobicContact CG1-CB 3.92Å; I506-L510 WeakPolarHBondContact O-CB 3.42Å; I506-L510 PolarHBondContact O-N 3.1Å; F507-L510 PolarHBondContact O-N 3.1Å; A508-L510 VanDerWaalsContact C-N 3.35Å; L510-M512 VanDerWaalsContact C-N 3.34Å; L510-M512 PolarHBondContact O-N 2.77Å; L510-Q513 PolarHBondContact O-N 3.06Å; L510-Q513 VanDerWaalsContact O-N 3.12Å; L510-I514 HydrophobicContact CD1-CD1 3.97Å; L510-I514 HydrophobicContact CD1-CG1 4.39Å; L510-I514 HydrophobicContact CD2-CD1 4.49Å; L510-I514 HydrophobicContact CG-CD1 3.84Å; L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 3.37Å; L510-Y575 HydrophobicContact CB-CE2 4.23Å; L510-Y575 HydrophobicContact CD2-CD2 4.01Å; L510-Y575 HydrophobicContact CD2-CE2 3.9Å; L510-Y575 HydrophobicContact CG-CD2 4.33Å; L510-Y575 HydrophobicContact CG-CE2 3.99Å
511G90.2Very high86.3Confident0 Ų037.1 Ų37.10%017%0.17CC..Hα-helixtrans-58.9-42.8174.800000112.1F507 A508 Q513 I514 F515F507-G511 PolarHBondContact O-N 2.96Å; A508-G511 PolarHBondContact O-N 2.91Å; G511-Q513 VanDerWaalsContact C-N 3.3Å; G511-Q513 PolarHBondContact O-N 3.5Å; G511-I514 PolarHBondContact O-N 2.92Å; G511-F515 WeakPolarHBondContact O-CA 3.25Å; G511-F515 VanDerWaalsContact O-CB 3.31Å; G511-F515 WeakPolarHBondContact O-CB 3.45Å; G511-F515 WeakPolarHBondContact O-CD2 3.47Å; G511-F515 PolarHBondContact O-N 3.03Å
512M89.5Confident85Confident3 Ų337 Ų372%0.01517%0.174CC..Hα-helixtrans-59.5-38173.8-70.6173.672.900113Y12 A508 L509 L510 G516 F532 F535 S538Y12-M512 WeakPolarHBondContact O-CE 3.36Å; A508-M512 VanDerWaalsContact O-CG 3.31Å; A508-M512 WeakPolarHBondContact O-CG 3.39Å; A508-M512 PolarHBondContact O-N 3Å; L509-M512 HydrophobicContact CD2-SD 4.28Å; L509-M512 PolarHBondContact O-N 3.02Å; L510-M512 VanDerWaalsContact C-N 3.34Å; L510-M512 PolarHBondContact O-N 2.77Å; M512-G516 VanDerWaalsContact O-CA 3.26Å; M512-G516 WeakPolarHBondContact O-CA 3.47Å; M512-G516 PolarHBondContact O-N 2.93Å; M512-F532 WeakPolarHBondContact CG-O 3.43Å; M512-F535 HydrophobicContact CE-CB 4.11Å; M512-F535 WeakPolarHBondContact SD-CA 3.42Å; M512-F535 HydrophobicContact SD-CB 3.8Å; M512-F535 HydrophobicContact SD-CD2 4Å; M512-F535 HydrophobicContact SD-CG 4.43Å; M512-S538 WeakPolarHBondContact CG-OG 2.9Å; M512-S538 PolarHBondContact SD-OG 2.85Å
513Q85.7Confident83.4Confident49 Ų4941.5 Ų41.523%0.22921%0.207CC..Hα-helixtrans-73.9-35179.8-65.8-61.7-42.800112.8A95 V98 L509 L510 G511A95-Q513 HydrophobicContact CB-CB 4.28Å; V98-Q513 HydrophobicContact CG2-CG 3.79Å; L509-Q513 WeakPolarHBondContact O-CG 3.15Å; L509-Q513 PolarHBondContact O-N 3.12Å; L510-Q513 PolarHBondContact O-N 3.06Å; L510-Q513 VanDerWaalsContact O-N 3.12Å; G511-Q513 VanDerWaalsContact C-N 3.3Å; G511-Q513 PolarHBondContact O-N 3.5Å
514I86.2Confident81.8Confident50 Ų5044.6 Ų44.626%0.25622%0.222SC..Hα-helixtrans-81.2-51.7-179.3-62.5172.1000110.4L510 G511 R518 F562 Y575L510-I514 HydrophobicContact CD1-CD1 3.97Å; L510-I514 HydrophobicContact CD1-CG1 4.39Å; L510-I514 HydrophobicContact CD2-CD1 4.49Å; L510-I514 HydrophobicContact CG-CD1 3.84Å; L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 3.37Å; G511-I514 PolarHBondContact O-N 2.92Å; I514-R518 WeakPolarHBondContact O-CD 3.45Å; I514-R518 PolarHBondContact O-NE 3.39Å; I514-F562 HydrophobicContact CG2-CZ 4.02Å; I514-F562 WeakPolarHBondContact O-CZ 3.31Å; I514-Y575 HydrophobicContact CD1-CD2 4.11Å
515F88.7Confident80.2Confident0 Ų049.9 Ų49.90%025%0.246CC..Hα-helixtrans-105.4-17.2-166.9-58.8-65.9000115.1G511 G517 R518 F519 F532 F562 V572 Y575 F576G511-F515 WeakPolarHBondContact O-CA 3.25Å; G511-F515 VanDerWaalsContact O-CB 3.31Å; G511-F515 WeakPolarHBondContact O-CB 3.45Å; G511-F515 WeakPolarHBondContact O-CD2 3.47Å; G511-F515 PolarHBondContact O-N 3.03Å; F515-G517 PolarHBondContact O-N 3.45Å; F515-R518 WeakPolarHBondContact O-CB 3.36Å; F515-R518 PolarHBondContact O-N 2.71Å; F515-F519 HydrophobicContact CB-CD1 4.11Å; F515-F519 HydrophobicContact CB-CE1 3.64Å; F515-F519 HydrophobicContact CB-CZ 4.24Å; F515-F519 HydrophobicContact CD1-CD1 4.29Å; F515-F519 AromaticContact CD1-CE1 3.44Å; F515-F519 HydrophobicContact CD1-CE1 3.44Å; F515-F519 VanDerWaalsContact CD1-CE1 3.44Å; F515-F519 HydrophobicContact CD1-CZ 4.24Å; F515-F519 HydrophobicContact CE1-CE1 4.22Å; F515-F519 AromaticContact CG-CE1 3.71Å; F515-F519 HydrophobicContact CG-CE1 3.71Å; F515-F519 HydrophobicContact CG-CZ 4.25Å; F515-F532 HydrophobicContact CB-CB 3.89Å; F515-F532 HydrophobicContact CB-CD2 3.81Å; F515-F532 HydrophobicContact CB-CG 4.06Å; F515-F532 AromaticContact CD2-CD2 3.9Å; F515-F532 HydrophobicContact CD2-CD2 3.9Å; F515-F532 HydrophobicContact CD2-CE2 4.06Å; F515-F532 HydrophobicContact CD2-CG 4.26Å; F515-F532 HydrophobicContact CG-CD2 4.09Å; F515-F562 AromaticContact CD1-CE2 3.69Å; F515-F562 HydrophobicContact CD1-CE2 3.69Å; F515-F562 HydrophobicContact CD1-CZ 4.43Å; F515-F562 HydrophobicContact CE1-CD2 4.48Å; F515-F562 AromaticContact CE1-CE2 3.87Å; F515-F562 HydrophobicContact CE1-CE2 3.87Å; F515-V572 HydrophobicContact CE1-CG1 3.21Å; F515-V572 HydrophobicContact CZ-CG1 3.29Å; F515-Y575 HydrophobicContact CD2-CE1 4.48Å; F515-Y575 AromaticContact CE2-CD1 3.53Å; F515-Y575 HydrophobicContact CE2-CD1 3.53Å; F515-Y575 AromaticContact CE2-CE1 3.68Å; F515-Y575 HydrophobicContact CE2-CE1 3.68Å; F515-Y575 AromaticContact CE2-CG 3.99Å; F515-Y575 HydrophobicContact CE2-CG 3.99Å; F515-Y575 HydrophobicContact CZ-CD1 4.02Å; F515-Y575 HydrophobicContact CZ-CG 4.39Å; F515-F576 HydrophobicContact CE1-CE2 4.22Å; F515-F576 HydrophobicContact CE1-CZ 4.3Å; F515-F576 HydrophobicContact CE2-CE2 4.29Å; F515-F576 AromaticContact CE2-CZ 4Å; F515-F576 HydrophobicContact CE2-CZ 4Å; F515-F576 AromaticContact CZ-CE2 3.61Å; F515-F576 HydrophobicContact CZ-CE2 3.61Å; F515-F576 AromaticContact CZ-CZ 3.7Å; F515-F576 HydrophobicContact CZ-CZ 3.7Å
516G85.3Confident78.9Confident8 Ų854.6 Ų54.68%0.08228%0.277CS..THydrogen-bonded Turntrans-58.6125.6-171.700000112.5P14 M512 R518 F532P14-G516 VanDerWaalsContact CG-CA 3.48Å; M512-G516 VanDerWaalsContact O-CA 3.26Å; M512-G516 WeakPolarHBondContact O-CA 3.47Å; M512-G516 PolarHBondContact O-N 2.93Å; G516-R518 PolarHBondContact O-N 3.45Å; G516-F532 WeakPolarHBondContact CA-O 3.32Å
517G81Confident78Confident13 Ų1356.2 Ų56.213%0.13429%0.285CS..THydrogen-bonded Turntrans65.612.3-176.100000114.5P16 F515 D533P16-G517 VanDerWaalsContact CA-O 3.3Å; P16-G517 WeakPolarHBondContact CA-O 3.47Å; P16-G517 VanDerWaalsContact CB-O 3.26Å; P16-G517 WeakPolarHBondContact CB-O 3.37Å; F515-G517 PolarHBondContact O-N 3.45Å; G517-D533 PolarHBondContact N-OD1 3.14Å
518R84.5Confident77.5Confident107 Ų10756.1 Ų56.140%0.40429%0.287SS..THydrogen-bonded Turntrans-108.1-18.7-178.7-62.9-165.6-173.5-162.73.1114.7I514 F515 G516 K520 S561I514-R518 WeakPolarHBondContact O-CD 3.45Å; I514-R518 PolarHBondContact O-NE 3.39Å; F515-R518 WeakPolarHBondContact O-CB 3.36Å; F515-R518 PolarHBondContact O-N 2.71Å; G516-R518 PolarHBondContact O-N 3.45Å; R518-K520 PolarHBondContact O-N 3.42Å; R518-S561 WeakPolarHBondContact O-CB 3.21Å
519F83Confident77.1Confident8 Ų859.9 Ų59.94%0.03530%0.301CS..  trans-59.2110.1178.6-81.310.4000108.9F515 Y521 P528 N531 F532 I557F515-F519 HydrophobicContact CB-CD1 4.11Å; F515-F519 HydrophobicContact CB-CE1 3.64Å; F515-F519 HydrophobicContact CB-CZ 4.24Å; F515-F519 HydrophobicContact CD1-CD1 4.29Å; F515-F519 AromaticContact CD1-CE1 3.44Å; F515-F519 HydrophobicContact CD1-CE1 3.44Å; F515-F519 VanDerWaalsContact CD1-CE1 3.44Å; F515-F519 HydrophobicContact CD1-CZ 4.24Å; F515-F519 HydrophobicContact CE1-CE1 4.22Å; F515-F519 AromaticContact CG-CE1 3.71Å; F515-F519 HydrophobicContact CG-CE1 3.71Å; F515-F519 HydrophobicContact CG-CZ 4.25Å; F519-Y521 PolarHBondContact O-N 3.05Å; F519-P528 HydrophobicContact CB-CG 4.25Å; F519-P528 HydrophobicContact CD2-CG 4.06Å; F519-N531 HydrophobicContact CD2-CB 4.01Å; F519-F532 HydrophobicContact CE1-CD2 4.47Å; F519-F532 HydrophobicContact CE2-CD2 4.04Å; F519-F532 HydrophobicContact CE2-CE2 4.35Å; F519-F532 AromaticContact CZ-CD2 3.75Å; F519-F532 HydrophobicContact CZ-CD2 3.75Å; F519-F532 AromaticContact CZ-CE2 3.96Å; F519-F532 HydrophobicContact CZ-CE2 3.96Å; F519-I557 HydrophobicContact CB-CG2 4.49Å; F519-I557 HydrophobicContact CD2-CG2 3.87Å; F519-I557 HydrophobicContact CE2-CG2 4.12Å; F519-I557 HydrophobicContact CG-CG2 4.1Å
520K66.6Low77Confident125 Ų12560.5 Ų60.554%0.54331%0.306SS..  trans-64.1132.5-179.8-72.5-178.2-176.6172.80107.9R518R518-K520 PolarHBondContact O-N 3.42Å
521Y63.9Low77Confident136 Ų13658.7 Ų58.753%0.53330%0.296SS..  trans-125.4125.3163.156-85.3000104.7F519 M527F519-Y521 PolarHBondContact O-N 3.05Å; Y521-M527 HydrophobicContact CD1-CG 4.45Å
522D60.1Low77.1Confident109 Ų10958.7 Ų58.758%0.58330%0.296SS*.  trans-60.3146.3162.8-75.3-25.4000107.3H524 Q525D522-H524 PolarHBondContact O-N 3.27Å; D522-Q525 PolarHBondContact O-N 2.86Å; D522-Q525 VanDerWaalsContact O-O 3.1Å
523S55.2Low77Confident109 Ų10960.2 Ų60.276%0.76230%0.304SS*.THydrogen-bonded Turntrans-54.2-15.4176420000113.5
524H55.4Low77.2Confident99 Ų9960 Ų6046%0.45831%0.307SS..THydrogen-bonded Turntrans-96.8-22.3-176.5-59.6-68000114.2D522 E881 G882D522-H524 PolarHBondContact O-N 3.27Å; H524-E881 WeakPolarHBondContact CB-O 3.27Å; H524-G882 PolarHBondContact CE1-O 3.29Å; H524-G882 VanDerWaalsContact CE1-O 3.27Å; H524-G882 VanDerWaalsContact ND1-C 3.33Å; H524-G882 PolarHBondContact ND1-O 2.85Å
525Q59.2Low77.4Confident123 Ų12360.2 Ų60.258%0.57531%0.306SS*.SBendtrans-103.6139.8178.1-68.9-1710.200110.7D522 M527D522-Q525 PolarHBondContact O-N 2.86Å; D522-Q525 VanDerWaalsContact O-O 3.1Å; Q525-M527 PolarHBondContact O-N 3.22Å
526P64.2Low77.5Confident116 Ų11662.6 Ų62.675%0.75333%0.325SS*.PPolyproline II helixtrans-62.7137.8177.327.1-33.2000109.8
527M71.6Confident77.8Confident52 Ų5262.7 Ų62.726%0.25632%0.323SS..PPolyproline II helixtrans-49.3132173.8-176.8-166.2-176.500110.4Y521 Q525 R529 N531 D533Y521-M527 HydrophobicContact CD1-CG 4.45Å; Q525-M527 PolarHBondContact O-N 3.22Å; M527-R529 PolarHBondContact O-N 3.38Å; M527-N531 HydrophobicContact CE-CB 4.07Å; M527-N531 WeakPolarHBondContact CE-ND2 3.37Å; M527-D533 HydrophobicContact CE-CB 4.46Å; M527-D533 WeakPolarHBondContact CE-OD2 3.27Å
528P81.5Confident78.4Confident24 Ų2462 Ų6216%0.15632%0.317CS..PPolyproline II helixtrans-60.1129.8179.924.8-34.2000109.9F519 S530 N531 I557F519-P528 HydrophobicContact CB-CG 4.25Å; F519-P528 HydrophobicContact CD2-CG 4.06Å; P528-S530 VanDerWaalsContact C-N 3.33Å; P528-S530 PolarHBondContact O-N 3.27Å; P528-N531 PolarHBondContact O-ND2 2.85Å; P528-I557 HydrophobicContact CB-CD1 3.96Å; P528-I557 HydrophobicContact CG-CG2 4.18Å
529R86.2Confident78.8Confident79 Ų7958.8 Ų58.830%0.29831%0.308SS..SBendtrans-63.8-41.2-178.1-66.1-61.6-171.8129.47.7111.3M527 N531 Q537 Y925 D929M527-R529 PolarHBondContact O-N 3.38Å; R529-N531 VanDerWaalsContact C-N 3.33Å; R529-N531 PolarHBondContact O-N 3.02Å; R529-N531 PolarHBondContact O-ND2 3.47Å; R529-Q537 VanDerWaalsContact O-CD 3.29Å; R529-Q537 PolarHBondContact O-NE2 3.21Å; R529-Y925 HydrophobicContact CB-CD1 4.11Å; R529-Y925 HydrophobicContact CB-CD2 3.81Å; R529-Y925 HydrophobicContact CB-CE1 3.98Å; R529-Y925 HydrophobicContact CB-CE2 3.67Å; R529-Y925 HydrophobicContact CB-CG 4.05Å; R529-Y925 HydrophobicContact CG-CD2 4.36Å; R529-Y925 HydrophobicContact CG-CG 4.34Å; R529-D929 IonicContact CZ-OD1 3.95Å; R529-D929 IonicContact CZ-OD2 2.76Å; R529-D929 VanDerWaalsContact NH1-CG 3.35Å; R529-D929 IonicContact NH1-OD1 3.91Å; R529-D929 PolarHBondContact NH1-OD1 3.04Å; R529-D929 IonicContact NH1-OD2 2.76Å; R529-D929 PolarHBondContact NH1-OD2 2.71Å; R529-D929 IonicContact NH2-OD2 3.25Å; R529-D929 PolarHBondContact NH2-OD2 2.64Å
530S88.7Confident79.3Confident16 Ų1659.1 Ų59.111%0.11231%0.309CS..SBendtrans-82.374.3176.2-63.20000111.7P528 Q544 Y925P528-S530 VanDerWaalsContact C-N 3.33Å; P528-S530 PolarHBondContact O-N 3.27Å; S530-Q544 PolarHBondContact OG-OE1 3.19Å; S530-Y925 PolarHBondContact OG-OH 3.01Å
531N90.4Very high80.6Confident7 Ų753.1 Ų53.14%0.03728%0.283CS..  trans-111.1179.917763.860.1000113.7F519 M527 P528 R529 D533 Q537 T541F519-N531 HydrophobicContact CD2-CB 4.01Å; M527-N531 HydrophobicContact CE-CB 4.07Å; M527-N531 WeakPolarHBondContact CE-ND2 3.37Å; P528-N531 PolarHBondContact O-ND2 2.85Å; R529-N531 VanDerWaalsContact C-N 3.33Å; R529-N531 PolarHBondContact O-N 3.02Å; R529-N531 PolarHBondContact O-ND2 3.47Å; N531-D533 PolarHBondContact OD1-N 3.22Å; N531-Q537 VanDerWaalsContact OD1-CG 3.29Å; N531-Q537 WeakPolarHBondContact OD1-CG 3.26Å; N531-T541 WeakPolarHBondContact O-CG2 3.48Å
532F91.4Very high82.1Confident0 Ų046.7 Ų46.70%026%0.258CS..SBendtrans-119.128.1-179.1-68.5-88.8000112.7M512 F515 G516 F519 T541 V542 I545 V554 Y575 F576M512-F532 WeakPolarHBondContact CG-O 3.43Å; F515-F532 HydrophobicContact CB-CB 3.89Å; F515-F532 HydrophobicContact CB-CD2 3.81Å; F515-F532 HydrophobicContact CB-CG 4.06Å; F515-F532 AromaticContact CD2-CD2 3.9Å; F515-F532 HydrophobicContact CD2-CD2 3.9Å; F515-F532 HydrophobicContact CD2-CE2 4.06Å; F515-F532 HydrophobicContact CD2-CG 4.26Å; F515-F532 HydrophobicContact CG-CD2 4.09Å; G516-F532 WeakPolarHBondContact CA-O 3.32Å; F519-F532 HydrophobicContact CE1-CD2 4.47Å; F519-F532 HydrophobicContact CE2-CD2 4.04Å; F519-F532 HydrophobicContact CE2-CE2 4.35Å; F519-F532 AromaticContact CZ-CD2 3.75Å; F519-F532 HydrophobicContact CZ-CD2 3.75Å; F519-F532 AromaticContact CZ-CE2 3.96Å; F519-F532 HydrophobicContact CZ-CE2 3.96Å; F532-T541 VanDerWaalsContact CE1-OG1 3.24Å; F532-T541 WeakPolarHBondContact CE1-OG1 3.24Å; F532-T541 WeakPolarHBondContact CZ-OG1 3.32Å; F532-V542 HydrophobicContact CE1-CG2 3.95Å; F532-I545 HydrophobicContact CZ-CD1 4.27Å; F532-V554 HydrophobicContact CE2-CG1 4.16Å; F532-Y575 HydrophobicContact CZ-CE1 4.32Å; F532-F576 HydrophobicContact CE2-CE1 4.43Å
533D88.3Confident83.6Confident34 Ų3442.2 Ų42.218%0.18223%0.234CC..SBendtrans-81.9-29.9-171.2-73.88.4000113.4P14 G517 M527 N531P14-D533 WeakPolarHBondContact CD-O 3.41Å; G517-D533 PolarHBondContact N-OD1 3.14Å; M527-D533 HydrophobicContact CE-CB 4.46Å; M527-D533 WeakPolarHBondContact CE-OD2 3.27Å; N531-D533 PolarHBondContact OD1-N 3.22Å
534T89.7Confident85.5Confident45 Ų4537.2 Ų37.228%0.27620%0.198SC..SBendtrans-125.3154.6176.667.90000110.1A536 Q537 S538T534-A536 VanDerWaalsContact C-N 3.33Å; T534-A536 PolarHBondContact O-N 3.38Å; T534-Q537 PolarHBondContact O-N 3.07Å; T534-Q537 VanDerWaalsContact OG1-CB 3.24Å; T534-Q537 WeakPolarHBondContact OG1-CB 3.22Å; T534-Q537 PolarHBondContact OG1-N 2.93Å; T534-S538 WeakPolarHBondContact O-CB 3.46Å; T534-S538 PolarHBondContact O-N 3.06Å; T534-S538 PolarHBondContact O-OG 2.94Å
535F91Very high87.3Confident55 Ų5532.5 Ų32.524%0.24118%0.176CC..Hα-helixtrans-62.5-38179.3177.2-104.6000113.6A10 V505 L509 M512 S538 L539A10-F535 HydrophobicContact CB-CB 4.38Å; A10-F535 HydrophobicContact CB-CD1 3.92Å; A10-F535 HydrophobicContact CB-CD2 3.9Å; A10-F535 HydrophobicContact CB-CE1 4.16Å; A10-F535 HydrophobicContact CB-CE2 4.14Å; A10-F535 HydrophobicContact CB-CG 3.78Å; A10-F535 HydrophobicContact CB-CZ 4.26Å; A10-F535 VanDerWaalsContact O-CB 3.22Å; A10-F535 WeakPolarHBondContact O-CB 3.35Å; V505-F535 HydrophobicContact CG1-CE2 4.34Å; V505-F535 HydrophobicContact CG1-CZ 4.4Å; V505-F535 HydrophobicContact CG2-CZ 4.31Å; L509-F535 HydrophobicContact CD2-CD2 3.76Å; L509-F535 HydrophobicContact CD2-CE2 3.92Å; L509-F535 HydrophobicContact CG-CD2 4.39Å; L509-F535 HydrophobicContact CG-CE2 4.13Å; M512-F535 HydrophobicContact CE-CB 4.11Å; M512-F535 WeakPolarHBondContact SD-CA 3.42Å; M512-F535 HydrophobicContact SD-CB 3.8Å; M512-F535 HydrophobicContact SD-CD2 4Å; M512-F535 HydrophobicContact SD-CG 4.43Å; F535-S538 WeakPolarHBondContact CA-OG 3.08Å; F535-S538 PolarHBondContact O-OG 2.88Å; F535-L539 WeakPolarHBondContact O-CB 3.12Å; F535-L539 PolarHBondContact O-N 3.28Å
536A91.1Very high88.9Confident49 Ų4926.9 Ų26.941%0.40515%0.15SC..Hα-helixtrans-66.5-44.5177.700000111.1T534 L539 L540T534-A536 VanDerWaalsContact C-N 3.33Å; T534-A536 PolarHBondContact O-N 3.38Å; A536-L539 WeakPolarHBondContact O-CB 3.46Å; A536-L539 PolarHBondContact O-N 3.46Å; A536-L540 WeakPolarHBondContact O-CG 3.35Å; A536-L540 PolarHBondContact O-N 2.93Å
537Q91.5Very high90.1Very high10 Ų1022.4 Ų22.45%0.04712%0.121CC..Hα-helixtrans-67.8-40.6178-171.653.949.200111.6R529 N531 T534 L539 L540 T541 Y925R529-Q537 VanDerWaalsContact O-CD 3.29Å; R529-Q537 PolarHBondContact O-NE2 3.21Å; N531-Q537 VanDerWaalsContact OD1-CG 3.29Å; N531-Q537 WeakPolarHBondContact OD1-CG 3.26Å; T534-Q537 PolarHBondContact O-N 3.07Å; T534-Q537 VanDerWaalsContact OG1-CB 3.24Å; T534-Q537 WeakPolarHBondContact OG1-CB 3.22Å; T534-Q537 PolarHBondContact OG1-N 2.93Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 3.46Å; Q537-L540 WeakPolarHBondContact O-CB 3.41Å; Q537-L540 PolarHBondContact O-N 3.44Å; Q537-L540 VanDerWaalsContact O-N 3.1Å; Q537-T541 WeakPolarHBondContact O-CG2 3.29Å; Q537-T541 PolarHBondContact O-N 3.5Å; Q537-T541 PolarHBondContact O-OG1 3.29Å; Q537-Y925 PolarHBondContact NE2-OH 2.92Å
538S93.1Very high90.9Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-65-32.5176.165.30000112.9M512 T534 F535 L540 T541 V542M512-S538 WeakPolarHBondContact CG-OG 2.9Å; M512-S538 PolarHBondContact SD-OG 2.85Å; T534-S538 WeakPolarHBondContact O-CB 3.46Å; T534-S538 PolarHBondContact O-N 3.06Å; T534-S538 PolarHBondContact O-OG 2.94Å; F535-S538 WeakPolarHBondContact CA-OG 3.08Å; F535-S538 PolarHBondContact O-OG 2.88Å; S538-L540 VanDerWaalsContact C-N 3.34Å; S538-T541 WeakPolarHBondContact CA-OG1 3.42Å; S538-T541 PolarHBondContact O-OG1 3.48Å; S538-T541 VanDerWaalsContact O-OG1 3.04Å; S538-V542 WeakPolarHBondContact O-CB 3.49Å; S538-V542 VanDerWaalsContact O-CG2 3.27Å; S538-V542 WeakPolarHBondContact O-CG2 3.45Å; S538-V542 PolarHBondContact O-N 2.99Å
539L93.2Very high91.3Very high39 Ų3920 Ų2020%0.20411%0.111CC..Hα-helixtrans-62.9-42.5171.5-165.580.8000111.1F501 I504 V505 F535 A536 Q537 F543F501-L539 HydrophobicContact CE2-CD1 4.46Å; I504-L539 HydrophobicContact CB-CD1 4.49Å; I504-L539 HydrophobicContact CG2-CD1 3.45Å; I504-L539 VanDerWaalsContact CG2-CD1 3.45Å; I504-L539 HydrophobicContact CG2-CG 4.13Å; V505-L539 HydrophobicContact CG2-CD1 4.32Å; F535-L539 WeakPolarHBondContact O-CB 3.12Å; F535-L539 PolarHBondContact O-N 3.28Å; A536-L539 WeakPolarHBondContact O-CB 3.46Å; A536-L539 PolarHBondContact O-N 3.46Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 3.46Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 WeakPolarHBondContact O-CB 3.47Å; L539-F543 PolarHBondContact O-N 3.25Å
540L93.1Very high91.5Very high14 Ų1418.1 Ų18.17%0.07311%0.107CC..Hα-helixtrans-67-42.7177.8-64176000112A536 Q537 S538 F543 Q544 L924 I928 A946 I950A536-L540 WeakPolarHBondContact O-CG 3.35Å; A536-L540 PolarHBondContact O-N 2.93Å; Q537-L540 WeakPolarHBondContact O-CB 3.41Å; Q537-L540 PolarHBondContact O-N 3.44Å; Q537-L540 VanDerWaalsContact O-N 3.1Å; S538-L540 VanDerWaalsContact C-N 3.34Å; L540-F543 PolarHBondContact O-N 3.47Å; L540-Q544 WeakPolarHBondContact O-CB 3.39Å; L540-Q544 PolarHBondContact O-N 3.1Å; L540-L924 HydrophobicContact CD1-CD2 4.38Å; L540-L924 HydrophobicContact CD2-CD2 4.46Å; L540-I928 HydrophobicContact CD1-CD1 4.2Å; L540-A946 HydrophobicContact CD1-CB 4.16Å; L540-A946 HydrophobicContact CD2-CB 3.8Å; L540-I950 HydrophobicContact CD2-CD1 3.7Å
541T93.4Very high91.7Very high0 Ų017.3 Ų17.30%010%0.101CC..Hα-helixtrans-68.2-39.317957.60000112.6N531 F532 Q537 S538 F543 Q544 I545N531-T541 WeakPolarHBondContact O-CG2 3.48Å; F532-T541 VanDerWaalsContact CE1-OG1 3.24Å; F532-T541 WeakPolarHBondContact CE1-OG1 3.24Å; F532-T541 WeakPolarHBondContact CZ-OG1 3.32Å; Q537-T541 WeakPolarHBondContact O-CG2 3.29Å; Q537-T541 PolarHBondContact O-N 3.5Å; Q537-T541 PolarHBondContact O-OG1 3.29Å; S538-T541 WeakPolarHBondContact CA-OG1 3.42Å; S538-T541 PolarHBondContact O-OG1 3.48Å; S538-T541 VanDerWaalsContact O-OG1 3.04Å; T541-F543 VanDerWaalsContact C-N 3.32Å; T541-Q544 WeakPolarHBondContact O-CB 3.34Å; T541-Q544 PolarHBondContact O-N 2.95Å; T541-I545 WeakPolarHBondContact O-CD1 3.35Å; T541-I545 VanDerWaalsContact O-CG1 3.3Å; T541-I545 WeakPolarHBondContact O-CG1 3.44Å; T541-I545 PolarHBondContact O-N 3.25Å
542V94.9Very high91.8Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-64.6-40.9172.9172.90000110.6I504 F507 A508 F532 S538 Q544 I545 L546 L579I504-V542 HydrophobicContact CB-CG1 4.39Å; I504-V542 HydrophobicContact CG2-CB 4.28Å; I504-V542 HydrophobicContact CG2-CG1 3.87Å; F507-V542 HydrophobicContact CB-CG1 4.06Å; F507-V542 HydrophobicContact CB-CG2 4.28Å; A508-V542 HydrophobicContact CB-CG2 4.1Å; F532-V542 HydrophobicContact CE1-CG2 3.95Å; S538-V542 WeakPolarHBondContact O-CB 3.49Å; S538-V542 VanDerWaalsContact O-CG2 3.27Å; S538-V542 WeakPolarHBondContact O-CG2 3.45Å; S538-V542 PolarHBondContact O-N 2.99Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 2.67Å; V542-I545 PolarHBondContact O-N 3.46Å; V542-L546 HydrophobicContact CG1-CD1 4.43Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.38Å; V542-L546 PolarHBondContact O-N 3.05Å; V542-L579 HydrophobicContact CG1-CD1 3.89Å; V542-L579 HydrophobicContact CG1-CD2 4.16Å; V542-L579 HydrophobicContact CG2-CD2 4.23Å
543F92.9Very high91.7Very high16 Ų1619.6 Ų19.67%0.0712%0.117CC..Hα-helixtrans-62.9-38.7174.8-170.6-101.6000112.1I504 L539 L540 T541 L546 T547 W920 I950 I953 F958I504-F543 HydrophobicContact CD1-CD2 4.23Å; L539-F543 VanDerWaalsContact O-CB 3.3Å; L539-F543 WeakPolarHBondContact O-CB 3.47Å; L539-F543 PolarHBondContact O-N 3.25Å; L540-F543 PolarHBondContact O-N 3.47Å; T541-F543 VanDerWaalsContact C-N 3.32Å; F543-L546 WeakPolarHBondContact O-CB 3.36Å; F543-L546 PolarHBondContact O-N 3.23Å; F543-T547 HydrophobicContact CD1-CG2 4.45Å; F543-T547 HydrophobicContact CE1-CG2 4.15Å; F543-T547 HydrophobicContact CZ-CG2 4.5Å; F543-T547 PolarHBondContact O-N 3.23Å; F543-W920 AromaticContact CD1-CH2 3.65Å; F543-W920 HydrophobicContact CD1-CH2 3.65Å; F543-W920 HydrophobicContact CD1-CZ2 4.04Å; F543-W920 HydrophobicContact CD1-CZ3 4.47Å; F543-W920 HydrophobicContact CE1-CH2 4.11Å; F543-W920 HydrophobicContact CE1-CZ2 4.36Å; F543-I950 HydrophobicContact CD1-CG1 4.32Å; F543-I950 HydrophobicContact CE1-CG1 4.16Å; F543-I950 HydrophobicContact CE2-CG2 4.48Å; F543-I950 HydrophobicContact CZ-CG2 4.2Å; F543-I953 HydrophobicContact CE1-CD1 3.98Å; F543-I953 HydrophobicContact CE1-CG2 4.07Å; F543-I953 HydrophobicContact CZ-CB 4.38Å; F543-I953 HydrophobicContact CZ-CG2 3.63Å; F543-F958 HydrophobicContact CE2-CE2 4.5Å; F543-F958 HydrophobicContact CZ-CE2 4.37Å
544Q94.1Very high91.8Very high4 Ų418.1 Ų18.12%0.01911%0.109CC..Hα-helixtrans-60.2-46.9172-179.3-176.1-11.500113S530 L540 T541 V542 L546 T547 G548 E549 D550 W920 P921S530-Q544 PolarHBondContact OG-OE1 3.19Å; L540-Q544 WeakPolarHBondContact O-CB 3.39Å; L540-Q544 PolarHBondContact O-N 3.1Å; T541-Q544 WeakPolarHBondContact O-CB 3.34Å; T541-Q544 PolarHBondContact O-N 2.95Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 2.67Å; Q544-L546 PolarHBondContact O-N 2.94Å; Q544-T547 PolarHBondContact O-N 3.24Å; Q544-T547 PolarHBondContact O-OG1 2.95Å; Q544-G548 PolarHBondContact O-N 3.35Å; Q544-E549 VanDerWaalsContact CG-O 3.25Å; Q544-E549 WeakPolarHBondContact CG-O 3.27Å; Q544-E549 PolarHBondContact NE2-O 3.24Å; Q544-D550 VanDerWaalsContact NE2-CB 3.33Å; Q544-W920 HydrophobicContact CB-CH2 4.32Å; Q544-W920 HydrophobicContact CB-CZ2 4.04Å; Q544-W920 HydrophobicContact CG-CZ2 4.38Å; Q544-P921 HydrophobicContact CG-CB 4.48Å; Q544-P921 HydrophobicContact CG-CG 3.85Å
545I93.8Very high92Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-63.7-34.1176.9-63.8158.6000110.9F532 T541 V542 G548 W551 V554 F576 L579F532-I545 HydrophobicContact CZ-CD1 4.27Å; T541-I545 WeakPolarHBondContact O-CD1 3.35Å; T541-I545 VanDerWaalsContact O-CG1 3.3Å; T541-I545 WeakPolarHBondContact O-CG1 3.44Å; T541-I545 PolarHBondContact O-N 3.25Å; V542-I545 PolarHBondContact O-N 3.46Å; I545-G548 PolarHBondContact O-N 2.95Å; I545-W551 HydrophobicContact CB-CB 4.39Å; I545-W551 HydrophobicContact CG1-CB 4.25Å; I545-W551 HydrophobicContact CG2-CB 4.2Å; I545-V554 HydrophobicContact CD1-CG1 4.36Å; I545-F576 HydrophobicContact CD1-CD1 3.79Å; I545-F576 HydrophobicContact CD1-CE1 3.87Å; I545-L579 HydrophobicContact CB-CD2 3.92Å; I545-L579 HydrophobicContact CB-CG 4.42Å; I545-L579 HydrophobicContact CD1-CD2 3.72Å; I545-L579 HydrophobicContact CG1-CD2 4.44Å; I545-L579 HydrophobicContact CG2-CB 4.5Å; I545-L579 HydrophobicContact CG2-CD2 3.66Å; I545-L579 HydrophobicContact CG2-CG 3.78Å
546L92.2Very high91.9Very high5 Ų514.4 Ų14.43%0.0269%0.088CC..Hα-helixtrans-70.3-31.9175.8-73.5179.6000113.9F503 I504 V542 F543 Q544 L579 N584 L587F503-L546 HydrophobicContact CE1-CD2 4.16Å; I504-L546 HydrophobicContact CD1-CD1 3.85Å; I504-L546 HydrophobicContact CG1-CD1 3.41Å; I504-L546 VanDerWaalsContact CG1-CD1 3.41Å; V542-L546 HydrophobicContact CG1-CD1 4.43Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.38Å; V542-L546 PolarHBondContact O-N 3.05Å; F543-L546 WeakPolarHBondContact O-CB 3.36Å; F543-L546 PolarHBondContact O-N 3.23Å; Q544-L546 PolarHBondContact O-N 2.94Å; L546-L579 HydrophobicContact CD2-CD1 4.14Å; L546-L579 HydrophobicContact CG-CD1 4.48Å; L546-N584 PolarHBondContact O-OD1 2.72Å; L546-L587 HydrophobicContact CB-CD1 4.33Å
547T90.7Very high91.8Very high21 Ų2114.9 Ų14.913%0.1298%0.083CC..Hα-helixtrans-72.6-20.6173.152.60000112.1F543 Q544 F917 W920F543-T547 HydrophobicContact CD1-CG2 4.45Å; F543-T547 HydrophobicContact CE1-CG2 4.15Å; F543-T547 HydrophobicContact CZ-CG2 4.5Å; F543-T547 PolarHBondContact O-N 3.23Å; Q544-T547 PolarHBondContact O-N 3.24Å; Q544-T547 PolarHBondContact O-OG1 2.95Å; T547-F917 HydrophobicContact CG2-CD1 3.83Å; T547-F917 HydrophobicContact CG2-CE1 3.83Å; T547-W920 HydrophobicContact CG2-CZ2 4.07Å; T547-W920 WeakPolarHBondContact OG1-CZ2 3.28Å; T547-W920 PolarHBondContact OG1-NE1 3.21Å
548G88.6Confident91.7Very high16 Ų1614.4 Ų14.417%0.1658%0.081CC..THydrogen-bonded Turntrans84.210-179.300000114.7Q544 I545 W551Q544-G548 PolarHBondContact O-N 3.35Å; I545-G548 PolarHBondContact O-N 2.95Å; G548-W551 VanDerWaalsContact O-CD1 3.31Å
549E89.9Confident91.5Very high9 Ų914.4 Ų14.44%0.0428%0.081CC..SBendtrans-92.7127.8-179.8179.868.7175.900110.4Q544 W551 F917 G919 P921Q544-E549 VanDerWaalsContact CG-O 3.25Å; Q544-E549 WeakPolarHBondContact CG-O 3.27Å; Q544-E549 PolarHBondContact NE2-O 3.24Å; E549-W551 PolarHBondContact O-N 3.21Å; E549-F917 WeakPolarHBondContact CB-O 3.42Å; E549-G919 PolarHBondContact OE1-N 2.98Å; E549-P921 HydrophobicContact CB-CG 4.43Å; E549-P921 HydrophobicContact CG-CG 3.77Å
550D89.9Confident91.2Very high40 Ų4014.8 Ų14.821%0.2148%0.084CC..SBendtrans53.422.1176.3-80.2-39.1000113.6E219 Q544 N552 S553 V554 Q922E219-D550 VanDerWaalsContact OE1-CA 3.32Å; E219-D550 WeakPolarHBondContact OE1-CA 3.3Å; E219-D550 PolarHBondContact OE1-N 2.92Å; Q544-D550 VanDerWaalsContact NE2-CB 3.33Å; D550-N552 VanDerWaalsContact C-N 3.27Å; D550-N552 PolarHBondContact O-N 3.43Å; D550-S553 PolarHBondContact O-N 3.45Å; D550-S553 PolarHBondContact O-OG 3.4Å; D550-V554 PolarHBondContact O-N 2.96Å; D550-Q922 PolarHBondContact OD2-NE2 3.42Å
551W93.1Very high90.8Very high0 Ų014.8 Ų14.80%09%0.085CC..Hα-helixtrans-69.5-29.2-175.175.2-89.9000112.3F213 T214 S217 I545 G548 E549 M555 F580F213-W551 AromaticContact CD1-CH2 3.88Å; F213-W551 HydrophobicContact CD1-CH2 3.88Å; F213-W551 HydrophobicContact CD1-CZ2 4.43Å; F213-W551 AromaticContact CE1-CH2 3.65Å; F213-W551 HydrophobicContact CE1-CH2 3.65Å; F213-W551 HydrophobicContact CE1-CZ2 4.15Å; F213-W551 HydrophobicContact CE1-CZ3 4.46Å; T214-W551 HydrophobicContact CG2-CH2 3.76Å; T214-W551 HydrophobicContact CG2-CZ2 4.02Å; S217-W551 WeakPolarHBondContact OG-CZ2 3.38Å; S217-W551 PolarHBondContact OG-NE1 2.8Å; I545-W551 HydrophobicContact CB-CB 4.39Å; I545-W551 HydrophobicContact CG1-CB 4.25Å; I545-W551 HydrophobicContact CG2-CB 4.2Å; G548-W551 VanDerWaalsContact O-CD1 3.31Å; E549-W551 PolarHBondContact O-N 3.21Å; W551-M555 HydrophobicContact CZ3-CE 4.34Å; W551-M555 HydrophobicContact CZ3-SD 3.92Å; W551-M555 PolarHBondContact O-N 3.5Å; W551-M555 VanDerWaalsContact O-N 3.15Å; W551-F580 HydrophobicContact CG-CD2 4.47Å
552N91.7Very high90.5Very high13 Ų1317.6 Ų17.67%0.0710%0.097CC..Hα-helixtrans-61.9-43.4173.457.8-11.9000111.3D550 V554 M555 Y556D550-N552 VanDerWaalsContact C-N 3.27Å; D550-N552 PolarHBondContact O-N 3.43Å; N552-V554 PolarHBondContact O-N 3.19Å; N552-M555 WeakPolarHBondContact O-CB 3.36Å; N552-M555 PolarHBondContact O-N 2.88Å; N552-M555 VanDerWaalsContact O-N 3.16Å; N552-Y556 HydrophobicContact CB-CE2 3.97Å; N552-Y556 WeakPolarHBondContact O-CD1 3.25Å; N552-Y556 VanDerWaalsContact O-CD2 3.26Å; N552-Y556 WeakPolarHBondContact O-CD2 3.46Å; N552-Y556 PolarHBondContact O-N 3.01Å
553S89.7Confident89.8Confident42 Ų4219.5 Ų19.529%0.29412%0.116SC..Hα-helixtrans-61.9-43.7178.8760000111.8D550 M555 Y556 I557D550-S553 PolarHBondContact O-N 3.45Å; D550-S553 PolarHBondContact O-OG 3.4Å; S553-M555 VanDerWaalsContact C-N 3.28Å; S553-M555 PolarHBondContact O-N 3.22Å; S553-Y556 PolarHBondContact O-N 2.73Å; S553-I557 WeakPolarHBondContact O-CG1 3.44Å; S553-I557 PolarHBondContact O-N 2.9Å; S553-I557 VanDerWaalsContact O-N 3.1Å
554V91.4Very high89.3Confident2 Ų219.3 Ų19.31%0.01212%0.119CC..Hα-helixtrans-63.7-37.3176.5-173.90000110.8F532 I545 D550 N552 G558 F576F532-V554 HydrophobicContact CE2-CG1 4.16Å; I545-V554 HydrophobicContact CD1-CG1 4.36Å; D550-V554 PolarHBondContact O-N 2.96Å; N552-V554 PolarHBondContact O-N 3.19Å; V554-G558 PolarHBondContact O-N 3.42Å; V554-F576 HydrophobicContact CB-CE1 4.41Å; V554-F576 HydrophobicContact CG1-CE1 3.75Å; V554-F576 HydrophobicContact CG1-CZ 4.24Å
555M92.4Very high88.7Confident0 Ų019.9 Ų19.90%012%0.124CC..Hα-helixtrans-66.3-43.2174.5179.5-173.870.100111.9L210 T214 W551 N552 S553 G558 I559 C573 F576L210-M555 HydrophobicContact CD1-CE 4.15Å; L210-M555 HydrophobicContact CD1-SD 4.04Å; L210-M555 HydrophobicContact CD2-CE 4.24Å; L210-M555 HydrophobicContact CG-CE 4.35Å; T214-M555 HydrophobicContact CG2-CE 4.2Å; W551-M555 HydrophobicContact CZ3-CE 4.34Å; W551-M555 HydrophobicContact CZ3-SD 3.92Å; W551-M555 PolarHBondContact O-N 3.5Å; W551-M555 VanDerWaalsContact O-N 3.15Å; N552-M555 WeakPolarHBondContact O-CB 3.36Å; N552-M555 PolarHBondContact O-N 2.88Å; N552-M555 VanDerWaalsContact O-N 3.16Å; S553-M555 VanDerWaalsContact C-N 3.28Å; S553-M555 PolarHBondContact O-N 3.22Å; M555-G558 WeakPolarHBondContact O-CA 3.43Å; M555-G558 PolarHBondContact O-N 3.48Å; M555-G558 VanDerWaalsContact O-N 3.16Å; M555-I559 HydrophobicContact CG-CD1 3.9Å; M555-I559 HydrophobicContact CG-CG1 4.47Å; M555-I559 WeakPolarHBondContact O-CG1 3.46Å; M555-I559 PolarHBondContact O-N 3.04Å; M555-I559 HydrophobicContact SD-CD1 4.48Å; M555-C573 HydrophobicContact CG-CB 4.42Å; M555-C573 HydrophobicContact SD-CB 4.01Å; M555-F576 HydrophobicContact CB-CB 4.26Å; M555-F576 HydrophobicContact CB-CD1 4.4Å; M555-F576 HydrophobicContact CB-CD2 3.86Å; M555-F576 HydrophobicContact CB-CE2 4.29Å; M555-F576 HydrophobicContact CB-CG 3.92Å; M555-F576 HydrophobicContact CG-CB 4.26Å; M555-F576 HydrophobicContact CG-CD2 3.73Å; M555-F576 HydrophobicContact CG-CE2 4.34Å; M555-F576 HydrophobicContact CG-CG 4.11Å; M555-F576 HydrophobicContact SD-CB 4.49Å
556Y90Very high87.9Confident22 Ų2226.9 Ų26.99%0.08617%0.167CC..Hα-helixtrans-60.6-48.7-180-59-30.4000111.5N196 I199 T200 N552 S553 G558 I559 D560N196-Y556 HydrophobicContact CB-CD1 4.49Å; N196-Y556 HydrophobicContact CB-CD2 3.95Å; N196-Y556 HydrophobicContact CB-CE2 4.12Å; N196-Y556 HydrophobicContact CB-CG 4.17Å; N196-Y556 WeakPolarHBondContact ND2-CE2 3.25Å; I199-Y556 HydrophobicContact CB-CD1 4.16Å; I199-Y556 HydrophobicContact CB-CE1 4.41Å; I199-Y556 HydrophobicContact CD1-CD1 3.84Å; I199-Y556 HydrophobicContact CD1-CG 4.25Å; I199-Y556 HydrophobicContact CG2-CD1 3.79Å; I199-Y556 HydrophobicContact CG2-CE1 3.85Å; T200-Y556 HydrophobicContact CG2-CE1 3.91Å; T200-Y556 HydrophobicContact CG2-CE2 4.5Å; T200-Y556 WeakPolarHBondContact CG2-OH 3.29Å; N552-Y556 HydrophobicContact CB-CE2 3.97Å; N552-Y556 WeakPolarHBondContact O-CD1 3.25Å; N552-Y556 VanDerWaalsContact O-CD2 3.26Å; N552-Y556 WeakPolarHBondContact O-CD2 3.46Å; N552-Y556 PolarHBondContact O-N 3.01Å; S553-Y556 PolarHBondContact O-N 2.73Å; Y556-G558 VanDerWaalsContact C-N 3.27Å; Y556-G558 PolarHBondContact O-N 2.84Å; Y556-I559 PolarHBondContact O-N 2.86Å; Y556-D560 PolarHBondContact O-N 3.34Å
557I88.4Confident87.4Confident59 Ų5927.7 Ų27.730%0.30317%0.174SC..Hα-helixtrans-59.8-40.2174.3-63.6164.3000110.9F519 P528 S553 I559 D560 S561F519-I557 HydrophobicContact CB-CG2 4.49Å; F519-I557 HydrophobicContact CD2-CG2 3.87Å; F519-I557 HydrophobicContact CE2-CG2 4.12Å; F519-I557 HydrophobicContact CG-CG2 4.1Å; P528-I557 HydrophobicContact CB-CD1 3.96Å; P528-I557 HydrophobicContact CG-CG2 4.18Å; S553-I557 WeakPolarHBondContact O-CG1 3.44Å; S553-I557 PolarHBondContact O-N 2.9Å; S553-I557 VanDerWaalsContact O-N 3.1Å; I557-I559 PolarHBondContact O-N 3.49Å; I557-D560 PolarHBondContact O-N 3.29Å; I557-S561 WeakPolarHBondContact O-CB 3.36Å; I557-S561 PolarHBondContact O-N 2.99Å; I557-S561 PolarHBondContact O-OG 3.27Å
558G89.1Confident87Confident0 Ų032.3 Ų32.30%020%0.204CC..Hα-helixtrans-58.9-44.9175.600000112.9V554 M555 Y556 S561 F562V554-G558 PolarHBondContact O-N 3.42Å; M555-G558 WeakPolarHBondContact O-CA 3.43Å; M555-G558 PolarHBondContact O-N 3.48Å; M555-G558 VanDerWaalsContact O-N 3.16Å; Y556-G558 VanDerWaalsContact C-N 3.27Å; Y556-G558 PolarHBondContact O-N 2.84Å; G558-S561 PolarHBondContact O-OG 2.97Å; G558-F562 WeakPolarHBondContact O-CD2 3.5Å
559I89.9Confident86.5Confident0 Ų031.9 Ų31.90%020%0.199CC..Hα-helixtrans-69.2-43.4179.5-67.1164.7000110.9I199 M555 Y556 I557 S561 F562 G564 C573I199-I559 HydrophobicContact CD1-CB 3.85Å; I199-I559 HydrophobicContact CD1-CD1 4.05Å; I199-I559 HydrophobicContact CD1-CG2 3.93Å; I199-I559 HydrophobicContact CG1-CG2 4.22Å; I199-I559 HydrophobicContact CG2-CD1 4.04Å; M555-I559 HydrophobicContact CG-CD1 3.9Å; M555-I559 HydrophobicContact CG-CG1 4.47Å; M555-I559 WeakPolarHBondContact O-CG1 3.46Å; M555-I559 PolarHBondContact O-N 3.04Å; M555-I559 HydrophobicContact SD-CD1 4.48Å; Y556-I559 PolarHBondContact O-N 2.86Å; I557-I559 PolarHBondContact O-N 3.49Å; I559-S561 VanDerWaalsContact C-N 3.32Å; I559-S561 PolarHBondContact O-N 3.17Å; I559-F562 PolarHBondContact O-N 3.19Å; I559-F562 VanDerWaalsContact O-N 3.14Å; I559-G564 PolarHBondContact O-N 3.11Å; I559-C573 HydrophobicContact CD1-CB 4.07Å
560D86.2Confident86.3Confident48 Ų4833.7 Ų33.726%0.25721%0.209SC..Hα-helixtrans-59.7-42.9179.4-171.124.3000112.4Q197 Y556 I557 F562 G563 G564Q197-D560 PolarHBondContact NE2-OD2 3.46Å; Q197-D560 PolarHBondContact OE1-OD1 2.98Å; Q197-D560 PolarHBondContact OE1-OD2 3.34Å; Y556-D560 PolarHBondContact O-N 3.34Å; I557-D560 PolarHBondContact O-N 3.29Å; D560-F562 PolarHBondContact O-N 3.34Å; D560-G563 PolarHBondContact O-N 2.9Å; D560-G564 PolarHBondContact O-N 3.37Å
561S85.4Confident86.2Confident14 Ų1436.3 Ų36.310%0.09823%0.226CC..Hα-helixtrans-59.4-23.317971.40000114R518 I557 G558 I559R518-S561 WeakPolarHBondContact O-CB 3.21Å; I557-S561 WeakPolarHBondContact O-CB 3.36Å; I557-S561 PolarHBondContact O-N 2.99Å; I557-S561 PolarHBondContact O-OG 3.27Å; G558-S561 PolarHBondContact O-OG 2.97Å; I559-S561 VanDerWaalsContact C-N 3.32Å; I559-S561 PolarHBondContact O-N 3.17Å
562F85.8Confident86Confident59 Ų5937.3 Ų37.326%0.25923%0.232SC..THydrogen-bonded Turntrans-98.915178.3-79-99.7000114.5I514 F515 G558 I559 D560 S567 V572I514-F562 HydrophobicContact CG2-CZ 4.02Å; I514-F562 WeakPolarHBondContact O-CZ 3.31Å; F515-F562 AromaticContact CD1-CE2 3.69Å; F515-F562 HydrophobicContact CD1-CE2 3.69Å; F515-F562 HydrophobicContact CD1-CZ 4.43Å; F515-F562 HydrophobicContact CE1-CD2 4.48Å; F515-F562 AromaticContact CE1-CE2 3.87Å; F515-F562 HydrophobicContact CE1-CE2 3.87Å; G558-F562 WeakPolarHBondContact O-CD2 3.5Å; I559-F562 PolarHBondContact O-N 3.19Å; I559-F562 VanDerWaalsContact O-N 3.14Å; D560-F562 PolarHBondContact O-N 3.34Å; F562-S567 PolarHBondContact O-OG 3.3Å; F562-S567 VanDerWaalsContact O-OG 3.08Å; F562-V572 HydrophobicContact CB-CG2 4.38Å; F562-V572 HydrophobicContact CD1-CG2 4.17Å; F562-V572 HydrophobicContact CD2-CG2 4.07Å; F562-V572 HydrophobicContact CE1-CG2 4.47Å; F562-V572 HydrophobicContact CE2-CG2 4.4Å; F562-V572 HydrophobicContact CG-CG2 3.95Å
563G80.6Confident86Confident39 Ų3937.4 Ų37.440%0.40223%0.234SC..THydrogen-bonded Turntrans107.112.4175.500000114.7D560 S567D560-G563 PolarHBondContact O-N 2.9Å; G563-S567 VanDerWaalsContact C-OG 3.22Å; G563-S567 VanDerWaalsContact O-CB 3.3Å; G563-S567 WeakPolarHBondContact O-CB 3.47Å; G563-S567 PolarHBondContact O-OG 3.36Å
564G83Confident86.1Confident12 Ų1240.1 Ų40.112%0.12425%0.245CC..  trans77.1-176175.800000114.2I559 D560 T566 S567I559-G564 PolarHBondContact O-N 3.11Å; D560-G564 PolarHBondContact O-N 3.37Å; G564-T566 VanDerWaalsContact C-N 3.31Å; G564-T566 PolarHBondContact O-N 3.43Å; G564-S567 PolarHBondContact O-N 3.05Å; G564-S567 PolarHBondContact O-OG 3.26Å
565A81.2Confident86.2Confident16 Ų1641 Ų4113%0.13225%0.248CC..THydrogen-bonded Turntrans-65-27-170.300000114.8I199 F207I199-A565 HydrophobicContact CG1-CB 4.23Å; F207-A565 HydrophobicContact CE1-CB 3.98Å; F207-A565 HydrophobicContact CZ-CB 3.97Å
566T77.5Confident86.3Confident147 Ų14741 Ų4190%0.90225%0.248SC*.THydrogen-bonded Turntrans-83.4-15.6-179.653.50000113.2G564G564-T566 VanDerWaalsContact C-N 3.31Å; G564-T566 PolarHBondContact O-N 3.43Å
567S81.8Confident86.4Confident23 Ų2341.4 Ų41.416%0.16125%0.251CS..SBendtrans-84.3162.7-179.878.60000112F562 G563 G564 G569 I570F562-S567 PolarHBondContact O-OG 3.3Å; F562-S567 VanDerWaalsContact O-OG 3.08Å; G563-S567 VanDerWaalsContact C-OG 3.22Å; G563-S567 VanDerWaalsContact O-CB 3.3Å; G563-S567 WeakPolarHBondContact O-CB 3.47Å; G563-S567 PolarHBondContact O-OG 3.36Å; G564-S567 PolarHBondContact O-N 3.05Å; G564-S567 PolarHBondContact O-OG 3.26Å; S567-G569 PolarHBondContact O-N 3.4Å; S567-G569 WeakPolarHBondContact OG-CA 3.47Å; S567-G569 PolarHBondContact OG-N 2.98Å; S567-I570 PolarHBondContact O-N 3.37Å
568P81.6Confident86.6Confident117 Ų11741.8 Ų41.876%0.7626%0.256SS*.G310 helixtrans-60.4-7.1168.227-35.8000113.4I570 V571P568-I570 PolarHBondContact O-N 3.02Å; P568-V571 WeakPolarHBondContact O-CG2 3.46Å; P568-V571 PolarHBondContact O-N 3.32Å
569G78.7Confident86.9Confident7 Ų741.8 Ų41.87%0.07226%0.256CS..G310 helixtrans-58-20.617400000114.4S567 V571 V572S567-G569 PolarHBondContact O-N 3.4Å; S567-G569 WeakPolarHBondContact OG-CA 3.47Å; S567-G569 PolarHBondContact OG-N 2.98Å; G569-V571 PolarHBondContact O-N 3.08Å; G569-V571 VanDerWaalsContact O-N 3.1Å; G569-V572 WeakPolarHBondContact O-CB 2.97Å; G569-V572 WeakPolarHBondContact O-CG2 3.29Å; G569-V572 PolarHBondContact O-N 3.48Å; G569-V572 VanDerWaalsContact O-N 3.09Å
570I85.6Confident87Confident47 Ų4743.1 Ų43.124%0.24126%0.262CS..G310 helixtrans-57.9-27.1176.3-164.2168.8000113.6F207 S567 P568 V572 C573F207-I570 HydrophobicContact CD1-CD1 3.92Å; F207-I570 HydrophobicContact CE1-CD1 3.2Å; F207-I570 HydrophobicContact CE1-CG1 4.49Å; F207-I570 HydrophobicContact CZ-CD1 3.59Å; S567-I570 PolarHBondContact O-N 3.37Å; P568-I570 PolarHBondContact O-N 3.02Å; I570-V572 PolarHBondContact O-N 3.44Å; I570-C573 WeakPolarHBondContact O-CB 3.26Å; I570-C573 PolarHBondContact O-N 3.05Å; I570-C573 PolarHBondContact O-SG 3.07Å
571V87.6Confident87.2Confident95 Ų9545 Ų4558%0.57627%0.271SS*.G310 helixtrans-58.1-24.4178.7177.70000112.2P568 G569 C573 L574P568-V571 WeakPolarHBondContact O-CG2 3.46Å; P568-V571 PolarHBondContact O-N 3.32Å; G569-V571 PolarHBondContact O-N 3.08Å; G569-V571 VanDerWaalsContact O-N 3.1Å; V571-C573 PolarHBondContact O-N 3.2Å; V571-L574 HydrophobicContact CG1-CD1 4.19Å; V571-L574 WeakPolarHBondContact O-CB 3.43Å; V571-L574 WeakPolarHBondContact O-CG 3.38Å; V571-L574 PolarHBondContact O-N 3.33Å; V571-L574 VanDerWaalsContact O-N 3.17Å
572V89.2Confident87.5Confident21 Ų2146.9 Ų46.913%0.12728%0.284CS..G310 helixtrans-59.1-27.4175.2173.30000112.6F515 F562 G569 I570 L574 Y575 F576F515-V572 HydrophobicContact CE1-CG1 3.21Å; F515-V572 HydrophobicContact CZ-CG1 3.29Å; F562-V572 HydrophobicContact CB-CG2 4.38Å; F562-V572 HydrophobicContact CD1-CG2 4.17Å; F562-V572 HydrophobicContact CD2-CG2 4.07Å; F562-V572 HydrophobicContact CE1-CG2 4.47Å; F562-V572 HydrophobicContact CE2-CG2 4.4Å; F562-V572 HydrophobicContact CG-CG2 3.95Å; G569-V572 WeakPolarHBondContact O-CB 2.97Å; G569-V572 WeakPolarHBondContact O-CG2 3.29Å; G569-V572 PolarHBondContact O-N 3.48Å; G569-V572 VanDerWaalsContact O-N 3.09Å; I570-V572 PolarHBondContact O-N 3.44Å; V572-L574 PolarHBondContact O-N 3.23Å; V572-L574 VanDerWaalsContact O-N 3.1Å; V572-Y575 WeakPolarHBondContact O-CB 3.44Å; V572-Y575 PolarHBondContact O-N 3.09Å; V572-F576 HydrophobicContact CG1-CE2 4.1Å
573C90.8Very high87.6Confident16 Ų1644.1 Ų44.111%0.10827%0.271CS..Hα-helixtrans-56.2-29.7176.975.60000112.4L210 M555 I559 I570 V571 Y575 F576 I577L210-C573 HydrophobicContact CD1-CB 4.48Å; M555-C573 HydrophobicContact CG-CB 4.42Å; M555-C573 HydrophobicContact SD-CB 4.01Å; I559-C573 HydrophobicContact CD1-CB 4.07Å; I570-C573 WeakPolarHBondContact O-CB 3.26Å; I570-C573 PolarHBondContact O-N 3.05Å; I570-C573 PolarHBondContact O-SG 3.07Å; V571-C573 PolarHBondContact O-N 3.2Å; C573-Y575 PolarHBondContact O-N 3.12Å; C573-F576 PolarHBondContact O-N 3.29Å; C573-F576 VanDerWaalsContact O-N 3.12Å; C573-I577 WeakPolarHBondContact O-CG1 3.43Å; C573-I577 PolarHBondContact O-N 3.08Å
574L91.8Very high88Confident99 Ų9944.7 Ų44.752%0.51827%0.265SS..Hα-helixtrans-60.6-32.4177.5-66177.9000112.7V571 V572 V578V571-L574 HydrophobicContact CG1-CD1 4.19Å; V571-L574 WeakPolarHBondContact O-CB 3.43Å; V571-L574 WeakPolarHBondContact O-CG 3.38Å; V571-L574 PolarHBondContact O-N 3.33Å; V571-L574 VanDerWaalsContact O-N 3.17Å; V572-L574 PolarHBondContact O-N 3.23Å; V572-L574 VanDerWaalsContact O-N 3.1Å; L574-V578 VanDerWaalsContact O-CB 3.3Å; L574-V578 WeakPolarHBondContact O-CB 3.41Å; L574-V578 WeakPolarHBondContact O-CG2 3.33Å; L574-V578 PolarHBondContact O-N 3.4Å
575Y93.2Very high88.2Confident20 Ų2046.1 Ų46.18%0.07827%0.267CS..Hα-helixtrans-60-48.2175.1168.4-91.3000110.8F507 L510 I514 F515 F532 V572 C573 L579F507-Y575 HydrophobicContact CD1-CD2 4.43Å; F507-Y575 AromaticContact CD1-CE2 3.8Å; F507-Y575 HydrophobicContact CD1-CE2 3.8Å; F507-Y575 HydrophobicContact CE1-CE2 4.44Å; F507-Y575 PolarHBondContact O-OH 3.37Å; L510-Y575 HydrophobicContact CB-CE2 4.23Å; L510-Y575 HydrophobicContact CD2-CD2 4.01Å; L510-Y575 HydrophobicContact CD2-CE2 3.9Å; L510-Y575 HydrophobicContact CG-CD2 4.33Å; L510-Y575 HydrophobicContact CG-CE2 3.99Å; I514-Y575 HydrophobicContact CD1-CD2 4.11Å; F515-Y575 HydrophobicContact CD2-CE1 4.48Å; F515-Y575 AromaticContact CE2-CD1 3.53Å; F515-Y575 HydrophobicContact CE2-CD1 3.53Å; F515-Y575 AromaticContact CE2-CE1 3.68Å; F515-Y575 HydrophobicContact CE2-CE1 3.68Å; F515-Y575 AromaticContact CE2-CG 3.99Å; F515-Y575 HydrophobicContact CE2-CG 3.99Å; F515-Y575 HydrophobicContact CZ-CD1 4.02Å; F515-Y575 HydrophobicContact CZ-CG 4.39Å; F532-Y575 HydrophobicContact CZ-CE1 4.32Å; V572-Y575 WeakPolarHBondContact O-CB 3.44Å; V572-Y575 PolarHBondContact O-N 3.09Å; C573-Y575 PolarHBondContact O-N 3.12Å; Y575-L579 HydrophobicContact CE1-CD2 4.18Å; Y575-L579 VanDerWaalsContact O-CB 3.26Å; Y575-L579 WeakPolarHBondContact O-CB 3.38Å; Y575-L579 PolarHBondContact O-N 2.89Å
576F94.4Very high88.4Confident0 Ų046.1 Ų46.10%027%0.266CS..Hα-helixtrans-68.2-43.4-179.1-63.3-76.6000111.7F515 F532 I545 V554 M555 V572 C573 V578 L579 F580F515-F576 HydrophobicContact CE1-CE2 4.22Å; F515-F576 HydrophobicContact CE1-CZ 4.3Å; F515-F576 HydrophobicContact CE2-CE2 4.29Å; F515-F576 AromaticContact CE2-CZ 4Å; F515-F576 HydrophobicContact CE2-CZ 4Å; F515-F576 AromaticContact CZ-CE2 3.61Å; F515-F576 HydrophobicContact CZ-CE2 3.61Å; F515-F576 AromaticContact CZ-CZ 3.7Å; F515-F576 HydrophobicContact CZ-CZ 3.7Å; F532-F576 HydrophobicContact CE2-CE1 4.43Å; I545-F576 HydrophobicContact CD1-CD1 3.79Å; I545-F576 HydrophobicContact CD1-CE1 3.87Å; V554-F576 HydrophobicContact CB-CE1 4.41Å; V554-F576 HydrophobicContact CG1-CE1 3.75Å; V554-F576 HydrophobicContact CG1-CZ 4.24Å; M555-F576 HydrophobicContact CB-CB 4.26Å; M555-F576 HydrophobicContact CB-CD1 4.4Å; M555-F576 HydrophobicContact CB-CD2 3.86Å; M555-F576 HydrophobicContact CB-CE2 4.29Å; M555-F576 HydrophobicContact CB-CG 3.92Å; M555-F576 HydrophobicContact CG-CB 4.26Å; M555-F576 HydrophobicContact CG-CD2 3.73Å; M555-F576 HydrophobicContact CG-CE2 4.34Å; M555-F576 HydrophobicContact CG-CG 4.11Å; M555-F576 HydrophobicContact SD-CB 4.49Å; V572-F576 HydrophobicContact CG1-CE2 4.1Å; C573-F576 PolarHBondContact O-N 3.29Å; C573-F576 VanDerWaalsContact O-N 3.12Å; F576-V578 PolarHBondContact O-N 3.11Å; F576-L579 PolarHBondContact O-N 2.71Å; F576-F580 WeakPolarHBondContact O-CB 3.5Å; F576-F580 PolarHBondContact O-N 3.28Å
577I92.8Very high88.7Confident31 Ų3140 Ų4016%0.15923%0.227CC..Hα-helixtrans-61.1-47.1177.4-64.9167.7000111L210 F213 C573 F580 I581L210-I577 HydrophobicContact CD1-CD1 3.92Å; F213-I577 HydrophobicContact CD1-CG1 4.16Å; F213-I577 HydrophobicContact CE1-CB 4.32Å; F213-I577 HydrophobicContact CE1-CG1 3.85Å; F213-I577 HydrophobicContact CE1-CG2 4.07Å; F213-I577 HydrophobicContact CE2-CG2 4.48Å; F213-I577 HydrophobicContact CZ-CG2 3.94Å; C573-I577 WeakPolarHBondContact O-CG1 3.43Å; C573-I577 PolarHBondContact O-N 3.08Å; I577-F580 PolarHBondContact O-N 3.28Å; I577-I581 HydrophobicContact CG2-CD1 3.68Å; I577-I581 HydrophobicContact CG2-CG1 4.44Å; I577-I581 WeakPolarHBondContact O-CB 3.28Å; I577-I581 VanDerWaalsContact O-CG1 3.32Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.9Å
578V93.1Very high88.8Confident66 Ų6640.5 Ų40.540%0.423%0.228SC..Hα-helixtrans-66.3-42.1179.3171.20000110.9F507 L574 F576 C582F507-V578 HydrophobicContact CE1-CG1 4.43Å; F507-V578 HydrophobicContact CZ-CG1 4.2Å; L574-V578 VanDerWaalsContact O-CB 3.3Å; L574-V578 WeakPolarHBondContact O-CB 3.41Å; L574-V578 WeakPolarHBondContact O-CG2 3.33Å; L574-V578 PolarHBondContact O-N 3.4Å; F576-V578 PolarHBondContact O-N 3.11Å; V578-C582 VanDerWaalsContact O-CB 3.23Å; V578-C582 WeakPolarHBondContact O-CB 3.31Å; V578-C582 PolarHBondContact O-N 2.88Å
579L94.3Very high88.7Confident0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-59.2-47.6176.2171.555.5000111.2F503 F507 V542 I545 L546 Y575 F576 G583F503-L579 HydrophobicContact CE1-CD1 3.75Å; F503-L579 HydrophobicContact CZ-CD1 4.24Å; F507-L579 HydrophobicContact CB-CD1 3.9Å; F507-L579 HydrophobicContact CD1-CB 3.88Å; F507-L579 HydrophobicContact CD1-CD1 3.81Å; F507-L579 HydrophobicContact CD1-CD2 4.45Å; F507-L579 HydrophobicContact CD1-CG 4.25Å; F507-L579 HydrophobicContact CD2-CD1 4.23Å; F507-L579 HydrophobicContact CE1-CB 3.97Å; F507-L579 HydrophobicContact CE1-CD1 4.39Å; F507-L579 HydrophobicContact CG-CD1 3.71Å; V542-L579 HydrophobicContact CG1-CD1 3.89Å; V542-L579 HydrophobicContact CG1-CD2 4.16Å; V542-L579 HydrophobicContact CG2-CD2 4.23Å; I545-L579 HydrophobicContact CB-CD2 3.92Å; I545-L579 HydrophobicContact CB-CG 4.42Å; I545-L579 HydrophobicContact CD1-CD2 3.72Å; I545-L579 HydrophobicContact CG1-CD2 4.44Å; I545-L579 HydrophobicContact CG2-CB 4.5Å; I545-L579 HydrophobicContact CG2-CD2 3.66Å; I545-L579 HydrophobicContact CG2-CG 3.78Å; L546-L579 HydrophobicContact CD2-CD1 4.14Å; L546-L579 HydrophobicContact CG-CD1 4.48Å; Y575-L579 HydrophobicContact CE1-CD2 4.18Å; Y575-L579 VanDerWaalsContact O-CB 3.26Å; Y575-L579 WeakPolarHBondContact O-CB 3.38Å; Y575-L579 PolarHBondContact O-N 2.89Å; F576-L579 PolarHBondContact O-N 2.71Å; L579-G583 VanDerWaalsContact O-CA 3.25Å; L579-G583 WeakPolarHBondContact O-CA 3.44Å; L579-G583 PolarHBondContact O-N 3.12Å
580F93Very high88.7Confident28 Ų2835 Ų3512%0.12319%0.191CC..Hα-helixtrans-63.3-51178.9-175.7-96.7000111.9F213 W551 F576 I577 N584F213-F580 HydrophobicContact CZ-CD1 4.08Å; W551-F580 HydrophobicContact CG-CD2 4.47Å; F576-F580 WeakPolarHBondContact O-CB 3.5Å; F576-F580 PolarHBondContact O-N 3.28Å; I577-F580 PolarHBondContact O-N 3.28Å; F580-N584 WeakPolarHBondContact CD2-ND2 3.43Å; F580-N584 WeakPolarHBondContact CE2-ND2 3.3Å; F580-N584 VanDerWaalsContact CZ-ND2 3.27Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.48Å; F580-N584 VanDerWaalsContact O-CB 3.24Å; F580-N584 WeakPolarHBondContact O-CB 3.3Å; F580-N584 PolarHBondContact O-N 3.45Å; F580-N584 PolarHBondContact O-ND2 3.18Å
581I91Very high88.2Confident89 Ų8934.3 Ų34.346%0.45619%0.186SC..Hα-helixtrans-66.4-53.1-177.3-65.2172.4000111.5F213 I577 G583 Y585F213-I581 HydrophobicContact CE2-CD1 3.95Å; F213-I581 HydrophobicContact CE2-CG1 4.2Å; F213-I581 HydrophobicContact CZ-CD1 4.04Å; F213-I581 HydrophobicContact CZ-CG1 4Å; I577-I581 HydrophobicContact CG2-CD1 3.68Å; I577-I581 HydrophobicContact CG2-CG1 4.44Å; I577-I581 WeakPolarHBondContact O-CB 3.28Å; I577-I581 VanDerWaalsContact O-CG1 3.32Å; I577-I581 WeakPolarHBondContact O-CG1 3.44Å; I577-I581 PolarHBondContact O-N 2.9Å; I581-G583 VanDerWaalsContact C-N 3.34Å; I581-Y585 VanDerWaalsContact O-CB 3.27Å; I581-Y585 WeakPolarHBondContact O-CB 3.31Å; I581-Y585 PolarHBondContact O-N 2.94Å
582C90.5Very high87.5Confident53 Ų5330 Ų3036%0.35816%0.16SC..Hα-helixtrans-68.8-36.2-178-67.70000111.5F503 V578 Y585 V586F503-C582 HydrophobicContact CE2-CB 3.95Å; F503-C582 HydrophobicContact CZ-CB 3.89Å; V578-C582 VanDerWaalsContact O-CB 3.23Å; V578-C582 WeakPolarHBondContact O-CB 3.31Å; V578-C582 PolarHBondContact O-N 2.88Å; C582-Y585 PolarHBondContact O-N 3.47Å; C582-V586 WeakPolarHBondContact O-CG2 3.5Å; C582-V586 PolarHBondContact O-N 2.94Å
583G88.7Confident86.8Confident0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-63-52.1176.700000112.8L579 I581 Y585 V586 L587L579-G583 VanDerWaalsContact O-CA 3.25Å; L579-G583 WeakPolarHBondContact O-CA 3.44Å; L579-G583 PolarHBondContact O-N 3.12Å; I581-G583 VanDerWaalsContact C-N 3.34Å; G583-Y585 VanDerWaalsContact C-N 3.28Å; G583-Y585 PolarHBondContact O-N 2.85Å; G583-V586 PolarHBondContact O-N 3.42Å; G583-V586 VanDerWaalsContact O-N 3.17Å; G583-L587 WeakPolarHBondContact O-CG 3.48Å; G583-L587 PolarHBondContact O-N 2.9Å
584N87.7Confident85.9Confident51 Ų5129.3 Ų29.327%0.27316%0.156SC..Hα-helixtrans-64.8-32.4175.8-75.9-32.3000112.4L546 F580 L587 L588L546-N584 PolarHBondContact O-OD1 2.72Å; F580-N584 WeakPolarHBondContact CD2-ND2 3.43Å; F580-N584 WeakPolarHBondContact CE2-ND2 3.3Å; F580-N584 VanDerWaalsContact CZ-ND2 3.27Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.48Å; F580-N584 VanDerWaalsContact O-CB 3.24Å; F580-N584 WeakPolarHBondContact O-CB 3.3Å; F580-N584 PolarHBondContact O-N 3.45Å; F580-N584 PolarHBondContact O-ND2 3.18Å; N584-L587 PolarHBondContact O-N 2.98Å; N584-L588 VanDerWaalsContact O-CB 3.24Å; N584-L588 WeakPolarHBondContact O-CB 3.22Å; N584-L588 PolarHBondContact O-N 3.45Å
585Y88.2Confident84.9Confident43 Ų4324.7 Ų24.717%0.16913%0.132CC..Hα-helixtrans-62.7-43.6172178.2-115000112.7I118 M122 L125 L260 I581 C582 G583 L588 N589I118-Y585 HydrophobicContact CG2-CD1 4.19Å; I118-Y585 HydrophobicContact CG2-CE1 3.41Å; I118-Y585 VanDerWaalsContact CG2-CE1 3.41Å; I118-Y585 PolarHBondContact O-OH 3.46Å; M122-Y585 WeakPolarHBondContact CA-OH 3.41Å; M122-Y585 PolarHBondContact N-OH 2.9Å; M122-Y585 VanDerWaalsContact N-OH 3.1Å; L125-Y585 HydrophobicContact CD1-CD2 4.08Å; L125-Y585 HydrophobicContact CD1-CE2 3.43Å; L125-Y585 VanDerWaalsContact CD1-CE2 3.43Å; L260-Y585 HydrophobicContact CD2-CE2 4.26Å; I581-Y585 VanDerWaalsContact O-CB 3.27Å; I581-Y585 WeakPolarHBondContact O-CB 3.31Å; I581-Y585 PolarHBondContact O-N 2.94Å; C582-Y585 PolarHBondContact O-N 3.47Å; G583-Y585 VanDerWaalsContact C-N 3.28Å; G583-Y585 PolarHBondContact O-N 2.85Å; Y585-L588 PolarHBondContact O-N 3.29Å; Y585-N589 WeakPolarHBondContact CE1-ND2 3.3Å; Y585-N589 WeakPolarHBondContact CE2-ND2 3.13Å; Y585-N589 PolarHBondContact O-N 3.43Å; Y585-N589 VanDerWaalsContact O-N 3.15Å; Y585-N589 PolarHBondContact O-ND2 3.4Å
586V85.8Confident83.6Confident16 Ų1624.3 Ų24.310%0.09713%0.132CC..Hα-helixtrans-65-46.2175.2174.20000110.2L500 C582 G583 L588 N589 V590L500-V586 HydrophobicContact CB-CG1 4.46Å; L500-V586 HydrophobicContact CD1-CG1 4.12Å; C582-V586 WeakPolarHBondContact O-CG2 3.5Å; C582-V586 PolarHBondContact O-N 2.94Å; G583-V586 PolarHBondContact O-N 3.42Å; G583-V586 VanDerWaalsContact O-N 3.17Å; V586-L588 VanDerWaalsContact C-N 3.33Å; V586-L588 PolarHBondContact O-N 2.84Å; V586-N589 PolarHBondContact O-N 3.19Å; V586-V590 VanDerWaalsContact O-CG2 3.32Å; V586-V590 WeakPolarHBondContact O-CG2 3.41Å; V586-V590 PolarHBondContact O-N 2.84Å
587L84.2Confident82.4Confident18 Ų1826.8 Ų26.89%0.09415%0.145CC..Hα-helixtrans-57.1-43.7176.5-74176.4000112.4L500 L546 G583 N584 N589 V590 F591 F958L500-L587 HydrophobicContact CD1-CD2 3.57Å; L500-L587 HydrophobicContact CD1-CG 4Å; L500-L587 HydrophobicContact CD2-CD2 3.44Å; L500-L587 VanDerWaalsContact CD2-CD2 3.44Å; L500-L587 HydrophobicContact CG-CD2 4.14Å; L546-L587 HydrophobicContact CB-CD1 4.33Å; G583-L587 WeakPolarHBondContact O-CG 3.48Å; G583-L587 PolarHBondContact O-N 2.9Å; N584-L587 PolarHBondContact O-N 2.98Å; L587-N589 VanDerWaalsContact C-N 3.35Å; L587-N589 PolarHBondContact O-N 3.42Å; L587-V590 WeakPolarHBondContact O-CB 3.3Å; L587-V590 PolarHBondContact O-N 3.5Å; L587-F591 WeakPolarHBondContact O-CB 3.47Å; L587-F591 PolarHBondContact O-N 3.15Å; L587-F958 HydrophobicContact CD1-CE1 4.05Å; L587-F958 HydrophobicContact CD1-CZ 4.02Å; L587-F958 HydrophobicContact CD2-CD1 4.4Å; L587-F958 HydrophobicContact CD2-CE1 3.61Å; L587-F958 HydrophobicContact CD2-CZ 3.81Å; L587-F958 HydrophobicContact CG-CE1 4.32Å
588L82.3Confident81Confident33 Ų3326 Ų2617%0.17314%0.141CC..Hα-helixtrans-65.7-36.7179.7-164.961.4000112.5I256 L257 L260 N584 Y585 V586 F591 L592I256-L588 HydrophobicContact CG2-CD2 3.46Å; I256-L588 VanDerWaalsContact CG2-CD2 3.46Å; L257-L588 HydrophobicContact CD2-CD1 3.55Å; L257-L588 HydrophobicContact CD2-CG 4.38Å; L260-L588 HydrophobicContact CD1-CB 4.41Å; L260-L588 HydrophobicContact CD1-CD2 3.35Å; L260-L588 HydrophobicContact CD1-CG 3.71Å; N584-L588 VanDerWaalsContact O-CB 3.24Å; N584-L588 WeakPolarHBondContact O-CB 3.22Å; N584-L588 PolarHBondContact O-N 3.45Å; Y585-L588 PolarHBondContact O-N 3.29Å; V586-L588 VanDerWaalsContact C-N 3.33Å; V586-L588 PolarHBondContact O-N 2.84Å; L588-F591 WeakPolarHBondContact O-CB 3.41Å; L588-F591 PolarHBondContact O-N 3.23Å; L588-L592 HydrophobicContact CG-CD1 4.45Å; L588-L592 WeakPolarHBondContact O-CB 3.42Å; L588-L592 WeakPolarHBondContact O-CG 3.45Å; L588-L592 PolarHBondContact O-N 2.97Å
589N80Confident79.5Confident1 Ų123.4 Ų23.41%0.00513%0.125CC..Hα-helixtrans-69.1-36.4173.4-74.6-53.3000112.1I118 F264 Y585 V586 L587 A593I118-N589 HydrophobicContact CD1-CB 4.49Å; I118-N589 HydrophobicContact CG1-CB 4.07Å; F264-N589 WeakPolarHBondContact CE2-OD1 3.29Å; F264-N589 HydrophobicContact CZ-CB 4.23Å; Y585-N589 WeakPolarHBondContact CE1-ND2 3.3Å; Y585-N589 WeakPolarHBondContact CE2-ND2 3.13Å; Y585-N589 PolarHBondContact O-N 3.43Å; Y585-N589 VanDerWaalsContact O-N 3.15Å; Y585-N589 PolarHBondContact O-ND2 3.4Å; V586-N589 PolarHBondContact O-N 3.19Å; L587-N589 VanDerWaalsContact C-N 3.35Å; L587-N589 PolarHBondContact O-N 3.42Å; N589-A593 VanDerWaalsContact O-CB 3.31Å; N589-A593 WeakPolarHBondContact O-CB 3.36Å; N589-A593 PolarHBondContact O-N 3Å
590V79Confident77.9Confident9 Ų923.8 Ų23.86%0.05513%0.129CC..Hα-helixtrans-63.5-46.6171.81790000110.4L496 V586 L587 L592 A593 I594L496-V590 HydrophobicContact CB-CG1 4.2Å; L496-V590 HydrophobicContact CB-CG2 3.94Å; L496-V590 HydrophobicContact CD2-CG2 4.19Å; V586-V590 VanDerWaalsContact O-CG2 3.32Å; V586-V590 WeakPolarHBondContact O-CG2 3.41Å; V586-V590 PolarHBondContact O-N 2.84Å; L587-V590 WeakPolarHBondContact O-CB 3.3Å; L587-V590 PolarHBondContact O-N 3.5Å; V590-L592 PolarHBondContact O-N 3.39Å; V590-A593 PolarHBondContact O-N 3.46Å; V590-I594 HydrophobicContact CG1-CD1 3.81Å; V590-I594 VanDerWaalsContact O-CG1 3.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.46Å; V590-I594 PolarHBondContact O-N 2.68Å
591F75.6Confident76.5Confident31 Ų3124.2 Ų24.214%0.13613%0.132CC..Hα-helixtrans-52.7-53.1175.3169.2-78.4000111.5L587 L588 I594 A595 N962 V965L587-F591 WeakPolarHBondContact O-CB 3.47Å; L587-F591 PolarHBondContact O-N 3.15Å; L588-F591 WeakPolarHBondContact O-CB 3.41Å; L588-F591 PolarHBondContact O-N 3.23Å; F591-I594 PolarHBondContact O-N 3.09Å; F591-A595 HydrophobicContact CE1-CB 4.46Å; F591-A595 WeakPolarHBondContact O-CB 3.47Å; F591-A595 PolarHBondContact O-N 2.83Å; F591-N962 HydrophobicContact CD2-CB 3.77Å; F591-N962 WeakPolarHBondContact CD2-ND2 3.26Å; F591-N962 WeakPolarHBondContact CD2-OD1 3.45Å; F591-N962 HydrophobicContact CE2-CB 3.76Å; F591-N962 WeakPolarHBondContact CE2-OD1 3.45Å; F591-V965 HydrophobicContact CE2-CB 4.32Å; F591-V965 HydrophobicContact CE2-CG2 4.5Å; F591-V965 HydrophobicContact CZ-CB 3.81Å; F591-V965 HydrophobicContact CZ-CG1 3.72Å; F591-V965 HydrophobicContact CZ-CG2 4.33Å
592L72.7Confident75Confident6 Ų622.8 Ų22.83%0.03113%0.128CC..Hα-helixtrans-70-38.6-174.1-73.7172.1000111.9L260 F264 L588 V590 I594 A595 V596L260-L592 HydrophobicContact CB-CD1 3.09Å; L260-L592 HydrophobicContact CD1-CD1 3.75Å; L260-L592 HydrophobicContact CG-CD1 4.02Å; F264-L592 HydrophobicContact CD2-CB 3.66Å; F264-L592 HydrophobicContact CD2-CD1 3.92Å; F264-L592 HydrophobicContact CD2-CG 4.43Å; F264-L592 HydrophobicContact CE2-CB 3.65Å; F264-L592 HydrophobicContact CE2-CD1 3.99Å; F264-L592 HydrophobicContact CE2-CG 4.49Å; F264-L592 HydrophobicContact CG-CB 4.38Å; F264-L592 HydrophobicContact CZ-CB 4.35Å; L588-L592 HydrophobicContact CG-CD1 4.45Å; L588-L592 WeakPolarHBondContact O-CB 3.42Å; L588-L592 WeakPolarHBondContact O-CG 3.45Å; L588-L592 PolarHBondContact O-N 2.97Å; V590-L592 PolarHBondContact O-N 3.39Å; L592-I594 VanDerWaalsContact C-N 3.33Å; L592-I594 PolarHBondContact O-N 2.92Å; L592-A595 PolarHBondContact O-N 3.39Å; L592-V596 VanDerWaalsContact O-CB 3.29Å; L592-V596 WeakPolarHBondContact O-CB 3.44Å; L592-V596 WeakPolarHBondContact O-CG2 3.46Å; L592-V596 PolarHBondContact O-N 3.19Å
593A74Confident73.6Confident14 Ų1422.6 Ų22.612%0.11612%0.123CC..Hα-helixtrans-59.4-44.7173.900000111.4F264 L496 N589 V590 D597F264-A593 HydrophobicContact CE1-CB 4.2Å; L496-A593 HydrophobicContact CD1-CB 3.57Å; N589-A593 VanDerWaalsContact O-CB 3.31Å; N589-A593 WeakPolarHBondContact O-CB 3.36Å; N589-A593 PolarHBondContact O-N 3Å; V590-A593 PolarHBondContact O-N 3.46Å; A593-D597 VanDerWaalsContact O-CB 3.32Å; A593-D597 WeakPolarHBondContact O-CB 3.25Å; A593-D597 PolarHBondContact O-N 2.97Å
594I72.6Confident72.1Confident7 Ų723.3 Ų23.34%0.03613%0.128CC..Hα-helixtrans-62.2-50176.1-68168.2000111I493 V590 F591 L592 N598 F959I493-I594 HydrophobicContact CD1-CD1 4.03Å; I493-I594 HydrophobicContact CD1-CG1 3.65Å; I493-I594 HydrophobicContact CD1-CG2 4.31Å; I493-I594 HydrophobicContact CG1-CD1 4.13Å; I493-I594 HydrophobicContact CG1-CG1 3.62Å; I493-I594 HydrophobicContact CG2-CD1 4.19Å; V590-I594 HydrophobicContact CG1-CD1 3.81Å; V590-I594 VanDerWaalsContact O-CG1 3.25Å; V590-I594 WeakPolarHBondContact O-CG1 3.46Å; V590-I594 PolarHBondContact O-N 2.68Å; F591-I594 PolarHBondContact O-N 3.09Å; L592-I594 VanDerWaalsContact C-N 3.33Å; L592-I594 PolarHBondContact O-N 2.92Å; I594-N598 WeakPolarHBondContact CG2-ND2 3.32Å; I594-N598 WeakPolarHBondContact O-CB 3.49Å; I594-N598 PolarHBondContact O-N 3.1Å; I594-N598 PolarHBondContact O-ND2 3.37Å; I594-F959 HydrophobicContact CD1-CD2 4.41Å; I594-F959 HydrophobicContact CG2-CD2 4.18Å; I594-F959 HydrophobicContact CG2-CE2 4.06Å
595A69.7Low70.4Confident2 Ų225.7 Ų25.72%0.01714%0.141CC..Hα-helixtrans-58.4-53.2-178.500000110.1F591 L592 D597 N598 L599F591-A595 HydrophobicContact CE1-CB 4.46Å; F591-A595 WeakPolarHBondContact O-CB 3.47Å; F591-A595 PolarHBondContact O-N 2.83Å; L592-A595 PolarHBondContact O-N 3.39Å; A595-D597 PolarHBondContact O-N 2.92Å; A595-N598 PolarHBondContact O-N 2.62Å; A595-L599 WeakPolarHBondContact O-CD2 3.23Å; A595-L599 WeakPolarHBondContact O-CG 3.48Å; A595-L599 PolarHBondContact O-N 3.25Å
596V66.5Low68.7Low13 Ų1325.5 Ų25.58%0.07915%0.152CC..Hα-helixtrans-62.6-41.3-177.3174.60000112.8F264 L592 L599 A600F264-V596 HydrophobicContact CB-CG2 4.18Å; L592-V596 VanDerWaalsContact O-CB 3.29Å; L592-V596 WeakPolarHBondContact O-CB 3.44Å; L592-V596 WeakPolarHBondContact O-CG2 3.46Å; L592-V596 PolarHBondContact O-N 3.19Å; V596-L599 PolarHBondContact O-N 3.32Å; V596-A600 PolarHBondContact O-N 3.36Å
597D69.5Low67.1Low52 Ų5230 Ų3028%0.27818%0.175SC..Hα-helixtrans-62.5-43.2174.8-84.4-5.5000110.8S492 A593 A595 A600 D601S492-D597 PolarHBondContact OG-OD2 2.88Å; A593-D597 VanDerWaalsContact O-CB 3.32Å; A593-D597 WeakPolarHBondContact O-CB 3.25Å; A593-D597 PolarHBondContact O-N 2.97Å; A595-D597 PolarHBondContact O-N 2.92Å; D597-A600 WeakPolarHBondContact O-CB 3.38Å; D597-A600 PolarHBondContact O-N 3.45Å; D597-D601 PolarHBondContact O-N 3Å
598N63.9Low65.5Low13 Ų1332.3 Ų32.37%0.0719%0.188CC..Hα-helixtrans-70.1-31.1178.1-67.6-30.5000112.9I594 A595 A600 T602 I963I594-N598 WeakPolarHBondContact CG2-ND2 3.32Å; I594-N598 WeakPolarHBondContact O-CB 3.49Å; I594-N598 PolarHBondContact O-N 3.1Å; I594-N598 PolarHBondContact O-ND2 3.37Å; A595-N598 PolarHBondContact O-N 2.62Å; N598-A600 VanDerWaalsContact C-N 3.29Å; N598-T602 PolarHBondContact O-N 3.29Å; N598-T602 PolarHBondContact O-OG1 2.9Å; N598-I963 WeakPolarHBondContact ND2-CG1 3.2Å
599L61.2Low64.1Low12 Ų1232.6 Ų32.66%0.06320%0.199CC..Hα-helixtrans-59.2-45.9171.3-46.2-177000109.4A595 V596 D601 T602 D603 G966 I969 V970A595-L599 WeakPolarHBondContact O-CD2 3.23Å; A595-L599 WeakPolarHBondContact O-CG 3.48Å; A595-L599 PolarHBondContact O-N 3.25Å; V596-L599 PolarHBondContact O-N 3.32Å; L599-D601 PolarHBondContact O-N 3.28Å; L599-T602 PolarHBondContact O-N 3.44Å; L599-T602 VanDerWaalsContact O-N 3.14Å; L599-D603 VanDerWaalsContact O-CG 3.26Å; L599-D603 PolarHBondContact O-N 3.15Å; L599-G966 VanDerWaalsContact CD2-C 3.46Å; L599-G966 WeakPolarHBondContact CD2-O 3.47Å; L599-I969 HydrophobicContact CD1-CG2 4.32Å; L599-V970 HydrophobicContact CB-CG2 3.75Å; L599-V970 HydrophobicContact CD1-CG2 4.49Å; L599-V970 HydrophobicContact CD2-CB 4.45Å; L599-V970 HydrophobicContact CD2-CG2 3.11Å; L599-V970 HydrophobicContact CG-CG2 3.85Å
600A60.8Low62.7Low9 Ų937.8 Ų37.87%0.07423%0.226CC..Hα-helixtrans-64-38.4-174.100000113.5F277 V596 D597 N598 T602 S604F277-A600 HydrophobicContact CE1-CB 3.96Å; F277-A600 HydrophobicContact CZ-CB 4.47Å; V596-A600 PolarHBondContact O-N 3.36Å; D597-A600 WeakPolarHBondContact O-CB 3.38Å; D597-A600 PolarHBondContact O-N 3.45Å; N598-A600 VanDerWaalsContact C-N 3.29Å; A600-T602 VanDerWaalsContact C-N 3.31Å; A600-S604 PolarHBondContact O-N 2.91Å; A600-S604 VanDerWaalsContact O-N 3.17Å; A600-S604 PolarHBondContact O-OG 3.45Å
601D62.6Low61.5Low36 Ų3639.3 Ų39.319%0.19324%0.24CC..Hα-helixtrans-69.8-31.7177.4-74.2-6.8000111.6D597 L599 S604 N605D597-D601 PolarHBondContact O-N 3Å; L599-D601 PolarHBondContact O-N 3.28Å; D601-S604 WeakPolarHBondContact CA-OG 3.36Å; D601-S604 PolarHBondContact O-OG 3.46Å; D601-N605 WeakPolarHBondContact O-CB 3.34Å; D601-N605 PolarHBondContact O-N 2.92Å; D601-N605 VanDerWaalsContact O-N 3.17Å; D601-N605 PolarHBondContact O-ND2 2.94Å
602T60.1Low60.5Low60 Ų6042.7 Ų42.737%0.36826%0.255SS..Hα-helixtrans-73.2-43.2177.7-520000111.1N598 L599 A600 S604 N605 G606N598-T602 PolarHBondContact O-N 3.29Å; N598-T602 PolarHBondContact O-OG1 2.9Å; L599-T602 PolarHBondContact O-N 3.44Å; L599-T602 VanDerWaalsContact O-N 3.14Å; A600-T602 VanDerWaalsContact C-N 3.31Å; T602-S604 PolarHBondContact O-N 3.46Å; T602-N605 PolarHBondContact O-N 3.27Å; T602-G606 PolarHBondContact O-N 3.2Å
603D60.6Low59.8Low49 Ų4945.4 Ų45.426%0.26228%0.278SS..Hα-helixtrans-59.6-45.8176.3-60.1-23.6000110.9R268 L599 N605 G606 D607R268-D603 IonicContact CZ-OD2 2.98Å; R268-D603 IonicContact NH1-OD2 3.18Å; R268-D603 IonicContact NH2-OD2 2.9Å; R268-D603 PolarHBondContact NH2-OD2 3.27Å; L599-D603 VanDerWaalsContact O-CG 3.26Å; L599-D603 PolarHBondContact O-N 3.15Å; D603-N605 PolarHBondContact O-N 3.16Å; D603-G606 PolarHBondContact O-N 2.96Å; D603-D607 PolarHBondContact O-N 3.22Å
604S57.8Low59Low15 Ų1551.8 Ų51.811%0.10531%0.305CS..Hα-helixtrans-64.4-41.4178.7500000113A600 D601 T602 G606 D608A600-S604 PolarHBondContact O-N 2.91Å; A600-S604 VanDerWaalsContact O-N 3.17Å; A600-S604 PolarHBondContact O-OG 3.45Å; D601-S604 WeakPolarHBondContact CA-OG 3.36Å; D601-S604 PolarHBondContact O-OG 3.46Å; T602-S604 PolarHBondContact O-N 3.46Å; S604-G606 VanDerWaalsContact C-N 3.33Å; S604-D608 WeakPolarHBondContact O-CB 3.46Å; S604-D608 PolarHBondContact O-N 3.47Å
605N51.9Low58.3Low101 Ų10158.1 Ų58.154%0.5434%0.335SS..Hα-helixtrans-73.6-27.3-178.6-69.3-21.1000112.4D601 T602 D603 G609D601-N605 WeakPolarHBondContact O-CB 3.34Å; D601-N605 PolarHBondContact O-N 2.92Å; D601-N605 VanDerWaalsContact O-N 3.17Å; D601-N605 PolarHBondContact O-ND2 2.94Å; T602-N605 PolarHBondContact O-N 3.27Å; D603-N605 PolarHBondContact O-N 3.16Å; N605-G609 PolarHBondContact O-N 3.11Å
606G53Low57.7Low38 Ų3863.5 Ų63.539%0.39236%0.363SS..Hα-helixtrans-69.6-47.9175.400000112.5T602 D603 S604 G609 N610T602-G606 PolarHBondContact O-N 3.2Å; D603-G606 PolarHBondContact O-N 2.96Å; S604-G606 VanDerWaalsContact C-N 3.33Å; G606-G609 PolarHBondContact O-N 3.07Å; G606-N610 PolarHBondContact O-N 3.03Å; G606-N610 VanDerWaalsContact O-N 3.13Å
607D52.1Low57Low112 Ų11264.3 Ų64.360%0.59938%0.375SS*.Hα-helixtrans-63.9-45175.2-82-10.9000111.2D603 G609 N610 A611D603-D607 PolarHBondContact O-N 3.22Å; D607-G609 VanDerWaalsContact C-N 3.33Å; D607-G609 PolarHBondContact O-N 3.06Å; D607-N610 PolarHBondContact O-N 3.07Å; D607-A611 VanDerWaalsContact O-CB 3.3Å; D607-A611 WeakPolarHBondContact O-CB 3.44Å; D607-A611 PolarHBondContact O-N 3.36Å
608D50.4Low56.1Low65 Ų6564.2 Ų64.235%0.34838%0.381SS..Hα-helixtrans-68-32.8179.5-70.3-17.2000112S604 K612S604-D608 WeakPolarHBondContact O-CB 3.46Å; S604-D608 PolarHBondContact O-N 3.47Å; D608-K612 WeakPolarHBondContact O-CB 3.25Å; D608-K612 WeakPolarHBondContact O-CG 3.27Å; D608-K612 PolarHBondContact O-N 3.43Å
609G51.2Low55.4Low40 Ų4065.7 Ų65.741%0.41240%0.399SS..Hα-helixtrans-67.3-40.6175.800000112.4N605 G606 D607 A613N605-G609 PolarHBondContact O-N 3.11Å; G606-G609 PolarHBondContact O-N 3.07Å; D607-G609 VanDerWaalsContact C-N 3.33Å; D607-G609 PolarHBondContact O-N 3.06Å; G609-A613 WeakPolarHBondContact O-CB 3.39Å; G609-A613 PolarHBondContact O-N 3.42Å
610N52.5Low55Low109 Ų10973 Ų7358%0.58343%0.433SS*.Hα-helixtrans-71.8-44174.2-76.8-16.2000111.4G606 D607 A613 E614G606-N610 PolarHBondContact O-N 3.03Å; G606-N610 VanDerWaalsContact O-N 3.13Å; D607-N610 PolarHBondContact O-N 3.07Å; N610-A613 PolarHBondContact O-N 3.13Å; N610-E614 WeakPolarHBondContact O-CB 3.44Å; N610-E614 WeakPolarHBondContact O-CG 3.21Å; N610-E614 PolarHBondContact O-N 3.21Å
611A53.1Low54.3Low41 Ų4179.1 Ų79.134%0.33946%0.464SS..Hα-helixtrans-63.2-44.917800000111.9D607 A613 E614 E615D607-A611 VanDerWaalsContact O-CB 3.3Å; D607-A611 WeakPolarHBondContact O-CB 3.44Å; D607-A611 PolarHBondContact O-N 3.36Å; A611-A613 VanDerWaalsContact C-N 3.32Å; A611-A613 PolarHBondContact O-N 3.16Å; A611-E614 PolarHBondContact O-N 3.42Å; A611-E615 WeakPolarHBondContact O-CB 3.39Å; A611-E615 WeakPolarHBondContact O-CG 3.43Å; A611-E615 PolarHBondContact O-N 3.04Å
612K55.1Low53.6Low103 Ų10384.9 Ų84.945%0.44849%0.49SS..Hα-helixtrans-66.7-32.6174.6-72177.2179.2178.10112.2E288 D608 N616E288-K612 IonicContact OE2-NZ 2.74Å; D608-K612 WeakPolarHBondContact O-CB 3.25Å; D608-K612 WeakPolarHBondContact O-CG 3.27Å; D608-K612 PolarHBondContact O-N 3.43Å; K612-N616 VanDerWaalsContact O-CB 3.26Å; K612-N616 WeakPolarHBondContact O-CB 3.41Å; K612-N616 PolarHBondContact O-N 3.3Å; K612-N616 PolarHBondContact O-ND2 3.46Å
613A56.5Low52.9Low62 Ų6290.8 Ų90.851%0.51251%0.513SS..Hα-helixtrans-71.3-35.9174.200000112G609 N610 A611 G617G609-A613 WeakPolarHBondContact O-CB 3.39Å; G609-A613 PolarHBondContact O-N 3.42Å; N610-A613 PolarHBondContact O-N 3.13Å; A611-A613 VanDerWaalsContact C-N 3.32Å; A611-A613 PolarHBondContact O-N 3.16Å; A613-G617 PolarHBondContact O-N 2.95Å
614E57.4Low51.9Low149 Ų14997.9 Ų97.970%0.69655%0.545SS*.Hα-helixtrans-69.3-41.3172.9-75.5-179173.800111.5N610 A611 G617 A618N610-E614 WeakPolarHBondContact O-CB 3.44Å; N610-E614 WeakPolarHBondContact O-CG 3.21Å; N610-E614 PolarHBondContact O-N 3.21Å; A611-E614 PolarHBondContact O-N 3.42Å; E614-G617 PolarHBondContact O-N 3.32Å; E614-A618 WeakPolarHBondContact O-CB 3.28Å; E614-A618 PolarHBondContact O-N 2.93Å
615E59.2Low50.8Low140 Ų140100.2 Ų100.265%0.65457%0.571SS**Hα-helixtrans-66.9-46.1175.5-76.7-178.616900112.2A611 G617 A618 G619A611-E615 WeakPolarHBondContact O-CB 3.39Å; A611-E615 WeakPolarHBondContact O-CG 3.43Å; A611-E615 PolarHBondContact O-N 3.04Å; E615-G617 VanDerWaalsContact C-N 3.3Å; E615-G617 PolarHBondContact O-N 2.82Å; E615-A618 PolarHBondContact O-N 2.98Å; E615-G619 PolarHBondContact O-N 3.32Å
616N55.8Low50Low114 Ų114103.2 Ų103.261%0.6159%0.587SS**Hα-helixtrans-66.4-34176.5-70-23.3000111.8K612 E620K612-N616 VanDerWaalsContact O-CB 3.26Å; K612-N616 WeakPolarHBondContact O-CB 3.41Å; K612-N616 PolarHBondContact O-N 3.3Å; K612-N616 PolarHBondContact O-ND2 3.46Å; N616-E620 PolarHBondContact O-N 2.89Å
617G51.5Low49.3Very low31 Ų31110.3 Ų110.332%0.3261%0.61SS.*Hα-helixtrans-73.5-24.4174.700000113.9A613 E614 E615 N621A613-G617 PolarHBondContact O-N 2.95Å; E614-G617 PolarHBondContact O-N 3.32Å; E615-G617 VanDerWaalsContact C-N 3.3Å; E615-G617 PolarHBondContact O-N 2.82Å; G617-N621 PolarHBondContact O-ND2 3.41Å
618A52.2Low48.5Very low50 Ų50114.5 Ų114.541%0.41363%0.626SS.*Hα-helixtrans-75.3-42171.300000111.1E614 E615 E620 N621E614-A618 WeakPolarHBondContact O-CB 3.28Å; E614-A618 PolarHBondContact O-N 2.93Å; E615-A618 PolarHBondContact O-N 2.98Å; A618-E620 PolarHBondContact O-N 2.88Å; A618-N621 PolarHBondContact O-N 3.41Å
619G48.9Very low47.7Very low43 Ų43117.3 Ų117.344%0.44365%0.646SS.*Hα-helixtrans-66.4-34.6-179.700000114.9E615 N621E615-G619 PolarHBondContact O-N 3.32Å; G619-N621 VanDerWaalsContact C-N 3.29Å; G619-N621 PolarHBondContact O-N 3.21Å
620E51.1Low46.9Very low167 Ų167122.1 Ų122.178%0.7866%0.662SS**THydrogen-bonded Turntrans-75.3-14.7177.5-73.1-177.9172.400113.6N616 A618N616-E620 PolarHBondContact O-N 2.89Å; A618-E620 PolarHBondContact O-N 2.88Å
621N46.8Very low46.1Very low136 Ų136123.5 Ų123.573%0.72767%0.669SS**THydrogen-bonded Turntrans-98.4-7.4179.9-73.7-50.6000114G617 A618 G619G617-N621 PolarHBondContact O-ND2 3.41Å; A618-N621 PolarHBondContact O-N 3.41Å; G619-N621 VanDerWaalsContact C-N 3.29Å; G619-N621 PolarHBondContact O-N 3.21Å
622E47.8Very low45.2Very low158 Ų158129.8 Ų129.874%0.73870%0.697SS**SBendtrans-91.9-12.4-178-75.5-176.1168.900114.1
623E45.4Very low44.3Very low183 Ų183132.2 Ų132.286%0.85572%0.715SS**THydrogen-bonded Turntrans-91.91.9-177-71.8-169.9163.100115.9
624E40.6Very low43.4Very low198 Ų198136.1 Ų136.193%0.92573%0.727SS**THydrogen-bonded Turntrans-118.214.7-178.8-73.3-167.8159.200115.8
625G35.2Very low42.2Very low64 Ų64136 Ų13666%0.6673%0.732SS**  trans-122.3-9.1-165.400000120.5E627G625-E627 PolarHBondContact O-N 3.17Å
626D34.7Very low41Very low164 Ų164139.5 Ų139.588%0.87775%0.745SS**  trans-88.587-171.9-87.4-16.5000112.8
627E38Very low39.7Very low187 Ų187143 Ų14387%0.87476%0.757SS**  trans-176.886.6148-105.7178.2-16200111G625G625-E627 PolarHBondContact O-N 3.17Å
628Q35.6Very low38.7Very low201 Ų201150.9 Ų150.994%0.93978%0.783SS**  trans175.295.6139-97.5165.412.100111.4
629V32.6Very low37.4Very low124 Ų124153.8 Ų153.875%0.75280%0.799SS**  trans-94.6130.9164.7173.10000108.1
630N34.2Very low36.5Very low140 Ų140159.6 Ų159.675%0.74982%0.82SS**  trans177.5115.5130.8-89.5-32.4000112.9
631N35.2Very low35.5Very low138 Ų138155.6 Ų155.674%0.73882%0.823SS**  trans42116134.9-58.3-20000120.1
632D36Very low34.8Very low173 Ų173152.6 Ų152.693%0.92582%0.824SS**  -163.2121.1122.8-91.2-26.5000110.4
633D36.1Very low34.1Very low154 Ų154152.4 Ų152.482%0.82483%0.829SS**  trans-78.8154.9176.1-94.7-39.7000112.6
634D36.7Very low33.6Very low144 Ų144152.9 Ų152.977%0.7783%0.828SS**  trans81.1124.6155.6-71.4-31.8000122.7
635N32.6Very low33Very low148 Ų148155.3 Ų155.379%0.79183%0.828SS**  trans74.997.7157.8-74.9-44000119.6
636K33.5Very low32.8Very low213 Ų213155.8 Ų155.893%0.92683%0.834SS**  -175.8123.8119.6-102.1157.8-172.81690114.6
637Q29.2Very low32.6Very low188 Ų188156.6 Ų156.688%0.87983%0.832SS**  trans-86.2119.8163.3-170.5168.121.400109.4
638K29.3Very low32.1Very low195 Ų195154.8 Ų154.885%0.84883%0.828SS**  trans162.9142.7143.6-100.5175.3-178.91740115.7
639C26.5Very low31.7Very low112 Ų112150.4 Ų150.476%0.75783%0.827SS**  trans102.1119.9137.7-740000122.7
640N30Very low31.5Very low164 Ų164149.5 Ų149.588%0.87783%0.826SS**  trans4.2129.8132.7-73.5-16.4000120.6
641G30.5Very low31.2Very low83 Ų83151.3 Ų151.386%0.85684%0.836SS**  108.8122.511000000119.5
642G30.9Very low30.7Very low73 Ų73153.8 Ų153.875%0.75384%0.84SS**  trans113.7103134.100000119.7
643D32.6Very low30.3Very low155 Ų155152.1 Ų152.183%0.82984%0.835SS**  trans50.2116.7139.6-68.5-20.6000122
644K34.9Very low29.9Very low192 Ų192148.1 Ų148.184%0.83582%0.824SS**  174.6122.5106.3-91.6163.6-170.2172.90114.1
645R29.5Very low29.5Very low249 Ų249149.5 Ų149.594%0.9483%0.83SS**  trans59.2124.1136.9-75.3179.3173.2172.1-2.8121.8
646G30.7Very low29.4Very low75 Ų75149.2 Ų149.277%0.77383%0.827SS**  trans150.550.8152.100000116.3
647E29.2Very low29.1Very low181 Ų181146.3 Ų146.385%0.84682%0.818SS**  35.594.5123.4-77.4-174.8156.100118
648N28.9Very low29.2Very low148 Ų148143.3 Ų143.379%0.79182%0.815SS**  162.1125106.4-82.6-39.9000113.9
649A27.5Very low29.3Very low109 Ų109139.7 Ų139.790%0.90181%0.814SS**  trans74.667151.600000120.3
650S27Very low29.4Very low106 Ų106140.4 Ų140.474%0.74182%0.817SS**  trans-141.195.6159.756.80000110.6
651D27.4Very low29.5Very low178 Ų178136 Ų13695%0.95281%0.81SS**  trans-96.572.8164.8-88.5-20.9000108.6
652K26.4Very low29.5Very low189 Ų189141.3 Ų141.382%0.82281%0.81SS**  trans-144.4148.7156.7-83.8-171.4175.5-177.70106.9
653V27.5Very low29.5Very low138 Ų138149 Ų14984%0.83682%0.816SS**  trans99.2127160-1690000118.3
654A26.8Very low29.2Very low71 Ų71153 Ų15359%0.58782%0.82SS**  trans62.6120.5148.400000121
655I29.3Very low29Very low172 Ų172148.3 Ų148.388%0.88281%0.811SS**  trans-121.396.2144.1-57.9-179.1000109.2
656I29.9Very low28.8Very low143 Ų143143.3 Ų143.373%0.73381%0.809SS**  trans-46.2134.7155.3-68.8159.6000110.1
657M26.5Very low28.6Very low152 Ų152147.1 Ų147.175%0.74981%0.81SS**  trans-64.9146173.1-54.7-169.8-158.400111.7
658P32.3Very low28.5Very low125 Ų125143.3 Ų143.381%0.81280%0.803SS**  trans-125.3144.6147.224.5-6.7000113.7
659S30.6Very low28.4Very low119 Ų119145.9 Ų145.983%0.83281%0.81SS**  trans-62.1153.2-171.2-159.40000115.3
660P29.9Very low28.4Very low126 Ų126144.3 Ų144.382%0.81880%0.798SS**  trans-94.5137.5-167.635.6-28.6000112.9
661G31.5Very low28.5Very low71 Ų71145.1 Ų145.173%0.73279%0.793SS**  trans-149.496178.800000114.3
662K31Very low28.5Very low196 Ų196142.8 Ų142.885%0.85279%0.788SS**  trans72.8127.6146.4-72.7176.6177.41730121.1
663R29.6Very low28.9Very low233 Ų233138.1 Ų138.188%0.87978%0.775SS**  trans86.9111.7151.4-67.9169.1178171.6-1.9116.1
664R27.1Very low29.2Very low240 Ų240136.5 Ų136.591%0.90677%0.771SS**  74.589.962.1-167.6177.8-167.2169.94.1112.4
665S29.3Very low29.8Very low94 Ų94139.5 Ų139.566%0.65777%0.774SS**  157.8122.4126.957.30000110.8I667S665-I667 PolarHBondContact O-N 2.93Å
666T25.4Very low30.8Very low143 Ų143138 Ų13888%0.87777%0.767SS**  trans23.186150.243.10000118.1
667I27.2Very low32.1Very low155 Ų155132.2 Ų132.280%0.79574%0.738SS**  trans-142.2125.9157.5-58.4-178.9000108.6S665S665-I667 PolarHBondContact O-N 2.93Å
668S26.4Very low33.7Very low102 Ų102126.7 Ų126.771%0.71371%0.713SS**  trans-22133.2158.8-164.80000113.4A670S668-A670 PolarHBondContact O-N 3.06Å
669Q27.5Very low35Very low201 Ų201129 Ų12994%0.93971%0.71SS**  trans-65.179.2160.2-79.8-177.8-18.700108.1
670A27.7Very low36.7Very low77 Ų77129.2 Ų129.264%0.63670%0.698SS**  trans-76.5120.4158.800000106.5S668S668-A670 PolarHBondContact O-N 3.06Å
671D28.7Very low38.6Very low122 Ų122127.8 Ų127.865%0.65268%0.683SS**  trans-38.8135167.6-71.1-52.1000111.3T673D671-T673 PolarHBondContact O-N 3.29Å
672P28.6Very low40.4Very low129 Ų129124.5 Ų124.584%0.83865%0.649SS**SBendtrans-72.767.2159.931.6-30000108.6
673T33.7Very low42.3Very low91 Ų91118.6 Ų118.656%0.55863%0.626SS**  trans-133.833161.454.90000110.8D671 M675 R701D671-T673 PolarHBondContact O-N 3.29Å; T673-M675 PolarHBondContact O-N 3.47Å; T673-R701 PolarHBondContact O-NH1 3.03Å
674S33.9Very low44.2Very low105 Ų105115.1 Ų115.173%0.73462%0.618SS**  trans-64.5102.7167.345.30000110.3
675M40.5Very low46.4Very low133 Ų133109.9 Ų109.966%0.65561%0.607SS**SBendtrans60.352.1153.5-153.9154.7-177.700118.6T673 L677 I694T673-M675 PolarHBondContact O-N 3.47Å; M675-L677 HydrophobicContact CG-CD1 4.42Å; M675-I694 HydrophobicContact CE-CD1 4.38Å
676L49.1Very low48.4Very low141 Ų141107.2 Ų107.274%0.73858%0.583SS**  trans-105.284.1154.2-84.5154000109
677L57.4Low50.6Low22 Ų22103 Ų10312%0.11556%0.559CS.*  trans-66.4142.5156.5-80.785.5000107.3M675 K679 R693 I694 A697M675-L677 HydrophobicContact CG-CD1 4.42Å; L677-K679 PolarHBondContact O-N 3.44Å; L677-K679 VanDerWaalsContact O-N 3.12Å; L677-R693 HydrophobicContact CD2-CB 4.5Å; L677-R693 HydrophobicContact CD2-CG 3.73Å; L677-I694 HydrophobicContact CD2-CG1 4.41Å; L677-A697 HydrophobicContact CD2-CB 4.45Å
678P60.8Low52.6Low36 Ų3697.5 Ų97.523%0.23454%0.535CS..  trans-51.4124.1173.2-20.427.2000109.3H680 R693P678-H680 PolarHBondContact O-N 2.99Å; P678-R693 PolarHBondContact O-NH2 3.48Å; P678-R693 VanDerWaalsContact O-NH2 3.1Å
679K59Low54.7Low174 Ų174101.3 Ų101.376%0.75754%0.539SS*.SBendtrans-57.6-22.3-177.7-73.5-176.5178.7177.70112.5L677L677-K679 PolarHBondContact O-N 3.44Å; L677-K679 VanDerWaalsContact O-N 3.12Å
680H66.6Low57.2Low123 Ų12394.6 Ų94.657%0.56951%0.509SS*.SBendtrans-70.3149.7179.4-52.5-68.8000112.7P678 S682 R693P678-H680 PolarHBondContact O-N 2.99Å; H680-S682 PolarHBondContact O-N 2.77Å; H680-R693 PolarHBondContact O-NH1 3.46Å; H680-R693 PolarHBondContact O-NH2 3.03Å
681N68.6Low59.8Low95 Ų95101.6 Ų101.651%0.50852%0.519SS..PPolyproline II helixtrans-69.1127.1172.9-63.7-13000109.4F686 S687N681-F686 WeakPolarHBondContact CA-O 3.37Å; N681-S687 WeakPolarHBondContact OD1-CA 3.35Å
682S69.7Low62.5Low3 Ų3100.4 Ų100.42%0.02151%0.508CS..BIsolated β-bridgetrans-83137.8173.148.30000110.3H680 F684 I685 F686 R693 V756H680-S682 PolarHBondContact O-N 2.77Å; S682-F684 PolarHBondContact O-N 3.46Å; S682-I685 PolarHBondContact O-N 3Å; S682-I685 VanDerWaalsContact O-N 3.1Å; S682-F686 PolarHBondContact N-O 3.28Å; S682-F686 PolarHBondContact O-N 3.13Å; S682-F686 WeakPolarHBondContact OG-CB 3.16Å; S682-F686 PolarHBondContact OG-O 2.74Å; S682-R693 PolarHBondContact OG-NE 3.11Å; S682-V756 VanDerWaalsContact CB-O 3.28Å; S682-V756 WeakPolarHBondContact CB-O 3.47Å; S682-V756 PolarHBondContact OG-O 3.39Å
683L70.7Confident65Low71 Ų7194.3 Ų94.337%0.37247%0.469SS..THydrogen-bonded Turntrans53.820.3-176.3-64.9168.3000114.8I685 F686 I755 L760L683-I685 WeakPolarHBondContact O-CG1 2.93Å; L683-I685 PolarHBondContact O-N 3.21Å; L683-F686 HydrophobicContact CD1-CD2 4.46Å; L683-F686 HydrophobicContact CD1-CE2 4.31Å; L683-I755 HydrophobicContact CD1-CG2 4.04Å; L683-I755 HydrophobicContact CD2-CG2 4.03Å; L683-I755 HydrophobicContact CG-CG2 4.19Å; L683-L760 HydrophobicContact CD2-CB 4.36Å
684F70Confident67.4Low161 Ų16192.8 Ų92.871%0.70646%0.457SS*.THydrogen-bonded Turntrans60-2.8-168.8-56.5-80.5000115.8S682 L762S682-F684 PolarHBondContact O-N 3.46Å; F684-L762 HydrophobicContact CE2-CD1 3.68Å; F684-L762 HydrophobicContact CZ-CD1 3.54Å; F684-L762 HydrophobicContact CZ-CD2 3.92Å; F684-L762 HydrophobicContact CZ-CG 4.37Å
685I73.2Confident69.9Low129 Ų12993.2 Ų93.266%0.66245%0.45SS*.THydrogen-bonded Turntrans-105.3-38.4-174.8-63.3163000111.8S682 L683S682-I685 PolarHBondContact O-N 3Å; S682-I685 VanDerWaalsContact O-N 3.1Å; L683-I685 WeakPolarHBondContact O-CG1 2.93Å; L683-I685 PolarHBondContact O-N 3.21Å
686F72.2Confident71.9Confident38 Ų3887 Ų8717%0.16742%0.42CS..BIsolated β-bridgetrans-102.599.3-169.4-62.8-85.2000111.9N681 S682 L683 N690 F692 R693 V756N681-F686 WeakPolarHBondContact CA-O 3.37Å; S682-F686 PolarHBondContact N-O 3.28Å; S682-F686 PolarHBondContact O-N 3.13Å; S682-F686 WeakPolarHBondContact OG-CB 3.16Å; S682-F686 PolarHBondContact OG-O 2.74Å; L683-F686 HydrophobicContact CD1-CD2 4.46Å; L683-F686 HydrophobicContact CD1-CE2 4.31Å; F686-N690 VanDerWaalsContact CD1-ND2 3.28Å; F686-N690 WeakPolarHBondContact CD1-ND2 3.4Å; F686-F692 HydrophobicContact CD1-CD1 4.23Å; F686-F692 AromaticContact CE1-CD1 3.68Å; F686-F692 HydrophobicContact CE1-CD1 3.68Å; F686-F692 HydrophobicContact CE1-CE1 4.34Å; F686-F692 HydrophobicContact CE1-CG 4.5Å; F686-F692 HydrophobicContact CZ-CD1 4.31Å; F686-R693 PolarHBondContact O-NH1 3.34Å; F686-V756 HydrophobicContact CD1-CG1 4.35Å; F686-V756 HydrophobicContact CD2-CG1 4.38Å; F686-V756 HydrophobicContact CE2-CG2 4.24Å; F686-V756 HydrophobicContact CG-CG1 4.28Å
687S72.1Confident73.6Confident54 Ų5480.6 Ų80.638%0.37839%0.387SS..  trans-61.4152.4170.9-175.30000111.9N681 K689 N690N681-S687 WeakPolarHBondContact OD1-CA 3.35Å; S687-K689 PolarHBondContact O-N 3.09Å; S687-N690 VanDerWaalsContact O-CB 3.3Å; S687-N690 WeakPolarHBondContact O-CB 2.87Å; S687-N690 PolarHBondContact O-N 3.48Å
688S68.1Low74.9Confident41 Ų4186.9 Ų86.929%0.28741%0.413SS..THydrogen-bonded Turntrans-56.8-21.7178.9570000114.1
689K71.5Confident76.2Confident182 Ų18289 Ų8979%0.79142%0.422SS*.THydrogen-bonded Turntrans-90.2-4176-63.9-174.4179.4-179.30114.6S687 R691S687-K689 PolarHBondContact O-N 3.09Å; K689-R691 PolarHBondContact O-N 3.45Å
690N79.3Confident77.5Confident59 Ų5982.6 Ų82.632%0.31640%0.396SS..  trans-65.2127.4-175.2-167.4-15.2000110.6F686 S687 F692 R693 I694F686-N690 VanDerWaalsContact CD1-ND2 3.28Å; F686-N690 WeakPolarHBondContact CD1-ND2 3.4Å; S687-N690 VanDerWaalsContact O-CB 3.3Å; S687-N690 WeakPolarHBondContact O-CB 2.87Å; S687-N690 PolarHBondContact O-N 3.48Å; N690-F692 PolarHBondContact O-N 3.24Å; N690-F692 PolarHBondContact OD1-N 3.45Å; N690-R693 HydrophobicContact CB-CB 4.29Å; N690-R693 PolarHBondContact O-N 3.25Å; N690-R693 VanDerWaalsContact O-N 3.11Å; N690-I694 PolarHBondContact O-N 2.98Å; N690-I694 VanDerWaalsContact O-N 3.09Å
691R83Confident78.3Confident224 Ų22483.5 Ų83.585%0.84539%0.394SS*.Hα-helixtrans-55.1-39.1179.6-69-172.8178.9-172.90.8111.6K689 I694 L695K689-R691 PolarHBondContact O-N 3.45Å; R691-I694 PolarHBondContact O-N 3.36Å; R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.32Å; R691-L695 PolarHBondContact O-N 3.46Å
692F83.7Confident79.1Confident97 Ų9783.1 Ų83.143%0.42539%0.389SS..Hα-helixtrans-62.7-47.5178.3-173.4-106.7000111.5F686 N690 I694 L695 S696 V756F686-F692 HydrophobicContact CD1-CD1 4.23Å; F686-F692 AromaticContact CE1-CD1 3.68Å; F686-F692 HydrophobicContact CE1-CD1 3.68Å; F686-F692 HydrophobicContact CE1-CE1 4.34Å; F686-F692 HydrophobicContact CE1-CG 4.5Å; F686-F692 HydrophobicContact CZ-CD1 4.31Å; N690-F692 PolarHBondContact O-N 3.24Å; N690-F692 PolarHBondContact OD1-N 3.45Å; F692-I694 VanDerWaalsContact C-N 3.34Å; F692-I694 PolarHBondContact O-N 2.97Å; F692-L695 PolarHBondContact O-N 3.45Å; F692-S696 WeakPolarHBondContact O-CB 3.5Å; F692-S696 PolarHBondContact O-N 3.08Å; F692-S696 PolarHBondContact O-OG 3.33Å; F692-V756 HydrophobicContact CD1-CG1 3.88Å; F692-V756 HydrophobicContact CE1-CG1 3.92Å; F692-V756 HydrophobicContact CE1-CG2 4.21Å
693R82.9Confident79.9Confident1 Ų186.5 Ų86.50%0.00441%0.413CS..Hα-helixtrans-62.5-39.7178.9-168.6-179.9176.5-169.4-5.4112.4L677 P678 H680 S682 F686 N690 A697 V756 V757L677-R693 HydrophobicContact CD2-CB 4.5Å; L677-R693 HydrophobicContact CD2-CG 3.73Å; P678-R693 PolarHBondContact O-NH2 3.48Å; P678-R693 VanDerWaalsContact O-NH2 3.1Å; H680-R693 PolarHBondContact O-NH1 3.46Å; H680-R693 PolarHBondContact O-NH2 3.03Å; S682-R693 PolarHBondContact OG-NE 3.11Å; F686-R693 PolarHBondContact O-NH1 3.34Å; N690-R693 HydrophobicContact CB-CB 4.29Å; N690-R693 PolarHBondContact O-N 3.25Å; N690-R693 VanDerWaalsContact O-N 3.11Å; R693-A697 WeakPolarHBondContact O-CB 3.29Å; R693-A697 PolarHBondContact O-N 2.9Å; R693-V756 HydrophobicContact CB-CG1 4.44Å; R693-V756 HydrophobicContact CG-CG1 4.41Å; R693-V757 PolarHBondContact NE-O 3.09Å; R693-V757 VanDerWaalsContact NE-O 3.13Å; R693-V757 PolarHBondContact NH2-O 3.37Å
694I82.3Confident80.7Confident60 Ų6091.9 Ų91.931%0.30843%0.43SS..Hα-helixtrans-67.9-42.3176-62.9168.8000110.9M675 L677 N690 R691 F692 A697 K698M675-I694 HydrophobicContact CE-CD1 4.38Å; L677-I694 HydrophobicContact CD2-CG1 4.41Å; N690-I694 PolarHBondContact O-N 2.98Å; N690-I694 VanDerWaalsContact O-N 3.09Å; R691-I694 PolarHBondContact O-N 3.36Å; F692-I694 VanDerWaalsContact C-N 3.34Å; F692-I694 PolarHBondContact O-N 2.97Å; I694-A697 PolarHBondContact O-N 3.19Å; I694-K698 WeakPolarHBondContact O-CB 3.49Å; I694-K698 PolarHBondContact O-N 2.8Å
695L86.4Confident81.6Confident114 Ų11485.8 Ų85.860%0.59740%0.403SS*.Hα-helixtrans-63.5-46.8176.7-174.671.7000111.3R691 F692 A697 K698 L699R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.32Å; R691-L695 PolarHBondContact O-N 3.46Å; F692-L695 PolarHBondContact O-N 3.45Å; L695-A697 VanDerWaalsContact C-N 3.32Å; L695-A697 PolarHBondContact O-N 2.92Å; L695-K698 PolarHBondContact O-N 3.2Å; L695-K698 VanDerWaalsContact O-N 3.17Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 2.9Å
696S84.3Confident82.1Confident3 Ų383.7 Ų83.72%0.02139%0.389CS..Hα-helixtrans-58.5-43.8174.1-57.40000111.1F692 K698 L699 I700 L753F692-S696 WeakPolarHBondContact O-CB 3.5Å; F692-S696 PolarHBondContact O-N 3.08Å; F692-S696 PolarHBondContact O-OG 3.33Å; S696-K698 VanDerWaalsContact C-N 3.34Å; S696-K698 PolarHBondContact O-N 3.33Å; S696-L699 PolarHBondContact O-N 3.15Å; S696-I700 VanDerWaalsContact O-CG1 3.24Å; S696-I700 WeakPolarHBondContact O-CG1 3.26Å; S696-I700 PolarHBondContact O-N 3.38Å; S696-L753 WeakPolarHBondContact OG-CD2 3.28Å
697A83Confident82.8Confident5 Ų586 Ų864%0.04140%0.403CS..Hα-helixtrans-62.9-39.9176.100000112.2L677 R693 I694 L695 R701 V757L677-A697 HydrophobicContact CD2-CB 4.45Å; R693-A697 WeakPolarHBondContact O-CB 3.29Å; R693-A697 PolarHBondContact O-N 2.9Å; I694-A697 PolarHBondContact O-N 3.19Å; L695-A697 VanDerWaalsContact C-N 3.32Å; L695-A697 PolarHBondContact O-N 2.92Å; A697-R701 WeakPolarHBondContact O-CB 3.31Å; A697-R701 VanDerWaalsContact O-CG 3.23Å; A697-R701 WeakPolarHBondContact O-CG 3.34Å; A697-R701 PolarHBondContact O-N 2.62Å; A697-V757 HydrophobicContact CB-CG1 3.96Å; A697-V757 HydrophobicContact CB-CG2 3.94Å
698K86.5Confident83.7Confident155 Ų15588.1 Ų88.167%0.67441%0.41SS*.Hα-helixtrans-66.6-39.8176.1-168.6176.6-178-179.80111.7I694 L695 S696 H702I694-K698 WeakPolarHBondContact O-CB 3.49Å; I694-K698 PolarHBondContact O-N 2.8Å; L695-K698 PolarHBondContact O-N 3.2Å; L695-K698 VanDerWaalsContact O-N 3.17Å; S696-K698 VanDerWaalsContact C-N 3.34Å; S696-K698 PolarHBondContact O-N 3.33Å; K698-H702 PolarHBondContact O-N 3.37Å
699L88Confident84.6Confident80 Ų8086.2 Ų86.242%0.41940%0.396SS..Hα-helixtrans-66.9-49.5178.4-175.864.5000111.5L695 S696 R701 H702 F705 L753L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 2.9Å; S696-L699 PolarHBondContact O-N 3.15Å; L699-R701 VanDerWaalsContact C-N 3.29Å; L699-R701 PolarHBondContact O-N 2.98Å; L699-H702 VanDerWaalsContact O-CB 3.27Å; L699-H702 WeakPolarHBondContact O-CB 3.15Å; L699-H702 PolarHBondContact O-N 3.21Å; L699-H702 VanDerWaalsContact O-N 3.08Å; L699-F705 HydrophobicContact CD1-CD2 4.24Å; L699-F705 HydrophobicContact CG-CD2 4.06Å; L699-F705 HydrophobicContact CG-CE2 4.42Å; L699-F705 HydrophobicContact CG-CG 4.39Å; L699-F705 WeakPolarHBondContact O-CB 3.44Å; L699-L753 HydrophobicContact CD2-CD1 3.89Å
700I85.4Confident85.3Confident40 Ų4080.3 Ų80.321%0.20537%0.373CS..Hα-helixtrans-61.7-37.5-179.5-66.2169.6000111.7S696 H702 F705 L753 K754 V757S696-I700 VanDerWaalsContact O-CG1 3.24Å; S696-I700 WeakPolarHBondContact O-CG1 3.26Å; S696-I700 PolarHBondContact O-N 3.38Å; I700-H702 VanDerWaalsContact C-N 3.28Å; I700-H702 PolarHBondContact O-N 2.94Å; I700-F705 HydrophobicContact CG1-CE1 4.32Å; I700-L753 VanDerWaalsContact CD1-C 3.49Å; I700-L753 HydrophobicContact CD1-CB 3.87Å; I700-L753 WeakPolarHBondContact CD1-O 3.35Å; I700-L753 HydrophobicContact CG1-CB 4.14Å; I700-K754 HydrophobicContact CD1-CG 4.06Å; I700-V757 HydrophobicContact CD1-CB 4.31Å; I700-V757 HydrophobicContact CD1-CG2 3.77Å
701R82.8Confident85.8Confident141 Ų14182.3 Ų82.353%0.53238%0.383SS..Hα-helixtrans-78.1-11.4179.2-68.9177.5-178.2-155.91113.3T673 A697 L699 S703T673-R701 PolarHBondContact O-NH1 3.03Å; A697-R701 WeakPolarHBondContact O-CB 3.31Å; A697-R701 VanDerWaalsContact O-CG 3.23Å; A697-R701 WeakPolarHBondContact O-CG 3.34Å; A697-R701 PolarHBondContact O-N 2.62Å; L699-R701 VanDerWaalsContact C-N 3.29Å; L699-R701 PolarHBondContact O-N 2.98Å; R701-S703 PolarHBondContact O-N 3.36Å
702H87Confident86.2Confident87 Ų8772.3 Ų72.340%0.40335%0.348SS..  trans-68.2132.4-179.2-157.8-71.2000111.1K698 L699 I700 Y704 F705 K706K698-H702 PolarHBondContact O-N 3.37Å; L699-H702 VanDerWaalsContact O-CB 3.27Å; L699-H702 WeakPolarHBondContact O-CB 3.15Å; L699-H702 PolarHBondContact O-N 3.21Å; L699-H702 VanDerWaalsContact O-N 3.08Å; I700-H702 VanDerWaalsContact C-N 3.28Å; I700-H702 PolarHBondContact O-N 2.94Å; H702-Y704 VanDerWaalsContact C-N 3.32Å; H702-Y704 AromaticContact CE1-CD2 3.03Å; H702-Y704 WeakPolarHBondContact CE1-CD2 3.34Å; H702-Y704 AromaticContact CE1-CE2 3.58Å; H702-Y704 AromaticContact CE1-CG 3.83Å; H702-Y704 AromaticContact ND1-CD2 3.42Å; H702-Y704 WeakPolarHBondContact ND1-CD2 3.46Å; H702-Y704 AromaticContact ND1-CG 3.79Å; H702-Y704 PolarHBondContact ND1-N 3.35Å; H702-Y704 VanDerWaalsContact ND1-N 3.19Å; H702-Y704 PolarHBondContact O-N 2.98Å; H702-F705 HydrophobicContact CB-CB 4.31Å; H702-F705 PolarHBondContact O-N 3Å; H702-K706 PolarHBondContact O-N 3.09Å
703S86.6Confident86.4Confident75 Ų7567.8 Ų67.852%0.52433%0.328SS..Hα-helixtrans-57-43.6-179.5-172.30000112.3R701 F705 K706 N707R701-S703 PolarHBondContact O-N 3.36Å; S703-F705 PolarHBondContact O-N 2.77Å; S703-K706 WeakPolarHBondContact O-CB 3.16Å; S703-K706 PolarHBondContact O-N 3.26Å; S703-N707 PolarHBondContact O-N 3.11Å
704Y87.1Confident86.6Confident184 Ų18472.6 Ų72.672%0.72235%0.353SS*.Hα-helixtrans-56.9-43.3173.4-63.1-52000113.7H702 K706 N707 L708H702-Y704 VanDerWaalsContact C-N 3.32Å; H702-Y704 AromaticContact CE1-CD2 3.03Å; H702-Y704 WeakPolarHBondContact CE1-CD2 3.34Å; H702-Y704 AromaticContact CE1-CE2 3.58Å; H702-Y704 AromaticContact CE1-CG 3.83Å; H702-Y704 AromaticContact ND1-CD2 3.42Å; H702-Y704 WeakPolarHBondContact ND1-CD2 3.46Å; H702-Y704 AromaticContact ND1-CG 3.79Å; H702-Y704 PolarHBondContact ND1-N 3.35Å; H702-Y704 VanDerWaalsContact ND1-N 3.19Å; H702-Y704 PolarHBondContact O-N 2.98Å; Y704-K706 VanDerWaalsContact C-N 3.34Å; Y704-K706 PolarHBondContact O-N 3.07Å; Y704-N707 PolarHBondContact O-N 3.13Å; Y704-L708 WeakPolarHBondContact O-CB 3.46Å; Y704-L708 PolarHBondContact O-N 3.41Å
705F88.1Confident87Confident32 Ų3272.7 Ų72.714%0.1436%0.356CS..Hα-helixtrans-65.8-40.2177.9-175.1-97.9000111.1L699 I700 H702 S703 V709 E750 L753L699-F705 HydrophobicContact CD1-CD2 4.24Å; L699-F705 HydrophobicContact CG-CD2 4.06Å; L699-F705 HydrophobicContact CG-CE2 4.42Å; L699-F705 HydrophobicContact CG-CG 4.39Å; L699-F705 WeakPolarHBondContact O-CB 3.44Å; I700-F705 HydrophobicContact CG1-CE1 4.32Å; H702-F705 HydrophobicContact CB-CB 4.31Å; H702-F705 PolarHBondContact O-N 3Å; S703-F705 PolarHBondContact O-N 2.77Å; F705-V709 HydrophobicContact CD1-CG2 4.39Å; F705-V709 HydrophobicContact CE1-CG2 4.03Å; F705-V709 HydrophobicContact CE2-CG2 4.27Å; F705-V709 HydrophobicContact CZ-CG2 3.96Å; F705-V709 WeakPolarHBondContact O-CG2 3.38Å; F705-V709 PolarHBondContact O-N 2.82Å; F705-V709 VanDerWaalsContact O-N 3.09Å; F705-E750 HydrophobicContact CE1-CG 4.27Å; F705-E750 HydrophobicContact CZ-CB 4.4Å; F705-E750 HydrophobicContact CZ-CG 4.23Å; F705-L753 HydrophobicContact CE2-CD1 4.48Å; F705-L753 HydrophobicContact CZ-CD1 4.22Å
706K84Confident87.1Confident86 Ų8667.4 Ų67.437%0.37433%0.329SS..Hα-helixtrans-59.8-47.5175.4-172.6-175.6176.3-1740112H702 S703 Y704 L710 R814H702-K706 PolarHBondContact O-N 3.09Å; S703-K706 WeakPolarHBondContact O-CB 3.16Å; S703-K706 PolarHBondContact O-N 3.26Å; Y704-K706 VanDerWaalsContact C-N 3.34Å; Y704-K706 PolarHBondContact O-N 3.07Å; K706-L710 PolarHBondContact O-N 3.34Å; K706-L710 VanDerWaalsContact O-N 3.16Å; K706-R814 WeakPolarHBondContact CE-O 3.48Å; K706-R814 PolarHBondContact NZ-O 2.96Å; K706-R814 PolarHBondContact O-NH1 3.3Å; K706-R814 VanDerWaalsContact O-NH1 3.08Å
707N87.7Confident87.3Confident87 Ų8767.7 Ų67.747%0.46533%0.331SS..Hα-helixtrans-71.6-38.4-179-69.6-7.9000112.2S703 Y704 L710 L711S703-N707 PolarHBondContact O-N 3.11Å; Y704-N707 PolarHBondContact O-N 3.13Å; N707-L710 PolarHBondContact O-N 3.05Å; N707-L711 WeakPolarHBondContact O-CB 3.46Å; N707-L711 PolarHBondContact O-N 2.82Å
708L89.8Confident87.5Confident97 Ų9770.3 Ų70.351%0.50835%0.353SS..Hα-helixtrans-59.5-50.3176.1-178.971.9000110.9Y704 L710 L711 C712Y704-L708 WeakPolarHBondContact O-CB 3.46Å; Y704-L708 PolarHBondContact O-N 3.41Å; L708-L710 VanDerWaalsContact C-N 3.3Å; L708-L710 PolarHBondContact O-N 3.28Å; L708-L711 WeakPolarHBondContact O-CB 3.24Å; L708-L711 PolarHBondContact O-N 3.41Å; L708-C712 PolarHBondContact O-N 3Å; L708-C712 PolarHBondContact O-SG 3.24Å
709V87.6Confident87.6Confident2 Ų265.1 Ų65.11%0.01233%0.332CS..Hα-helixtrans-66.9-34.3179.2179.10000111.5F705 C712 I713 F747 E750F705-V709 HydrophobicContact CD1-CG2 4.39Å; F705-V709 HydrophobicContact CE1-CG2 4.03Å; F705-V709 HydrophobicContact CE2-CG2 4.27Å; F705-V709 HydrophobicContact CZ-CG2 3.96Å; F705-V709 WeakPolarHBondContact O-CG2 3.38Å; F705-V709 PolarHBondContact O-N 2.82Å; F705-V709 VanDerWaalsContact O-N 3.09Å; V709-C712 PolarHBondContact O-N 3.34Å; V709-I713 HydrophobicContact CG1-CD1 4.2Å; V709-I713 VanDerWaalsContact O-CG1 3.3Å; V709-I713 WeakPolarHBondContact O-CG1 3.44Å; V709-I713 PolarHBondContact O-N 2.96Å; V709-F747 HydrophobicContact CG1-CD1 4.31Å; V709-F747 HydrophobicContact CG1-CE1 4.08Å; V709-E750 WeakPolarHBondContact CG1-OE2 3.23Å
710L86.7Confident87.4Confident58 Ų5862 Ų6230%0.30432%0.315SS..Hα-helixtrans-62.4-44.4173.3-178.764.5000111.3K706 N707 L708 C712 I713 L714 A811K706-L710 PolarHBondContact O-N 3.34Å; K706-L710 VanDerWaalsContact O-N 3.16Å; N707-L710 PolarHBondContact O-N 3.05Å; L708-L710 VanDerWaalsContact C-N 3.3Å; L708-L710 PolarHBondContact O-N 3.28Å; L710-C712 VanDerWaalsContact C-N 3.35Å; L710-C712 PolarHBondContact O-N 2.86Å; L710-I713 WeakPolarHBondContact O-CB 3.35Å; L710-I713 PolarHBondContact O-N 2.88Å; L710-L714 WeakPolarHBondContact O-CG 3.24Å; L710-L714 PolarHBondContact O-N 3.16Å; L710-A811 HydrophobicContact CD1-CB 4.41Å
711L89.6Confident87.5Confident100 Ų10061 Ų6152%0.52431%0.314SS..Hα-helixtrans-60.1-44.4174-177.367.4000111N707 L708 I713 L714 V715N707-L711 WeakPolarHBondContact O-CB 3.46Å; N707-L711 PolarHBondContact O-N 2.82Å; L708-L711 WeakPolarHBondContact O-CB 3.24Å; L708-L711 PolarHBondContact O-N 3.41Å; L711-I713 VanDerWaalsContact C-N 3.3Å; L711-I713 PolarHBondContact O-N 3.39Å; L711-L714 PolarHBondContact O-N 2.9Å; L711-V715 HydrophobicContact CD1-CG2 4.33Å; L711-V715 HydrophobicContact CG-CG2 4.4Å; L711-V715 WeakPolarHBondContact O-CG2 3.31Å; L711-V715 PolarHBondContact O-N 3Å
712C90.3Very high87.7Confident15 Ų1556.6 Ų56.610%0.10131%0.307CS..Hα-helixtrans-60.1-37.4174.7-66.10000112.6L708 V709 L710 S716 F743 F747L708-C712 PolarHBondContact O-N 3Å; L708-C712 PolarHBondContact O-SG 3.24Å; V709-C712 PolarHBondContact O-N 3.34Å; L710-C712 VanDerWaalsContact C-N 3.35Å; L710-C712 PolarHBondContact O-N 2.86Å; C712-S716 WeakPolarHBondContact O-CB 3.25Å; C712-S716 PolarHBondContact O-N 3.37Å; C712-F743 HydrophobicContact CB-CD1 4.03Å; C712-F743 HydrophobicContact CB-CE1 4.09Å; C712-F747 HydrophobicContact CB-CE1 4.08Å; C712-F747 HydrophobicContact CB-CZ 4.26Å
713I88.5Confident87.5Confident1 Ų155 Ų551%0.00530%0.3CS..Hα-helixtrans-64.9-46.3174.5-68.5162.8000110.3V709 L710 L711 S716 S717 F747 R810V709-I713 HydrophobicContact CG1-CD1 4.2Å; V709-I713 VanDerWaalsContact O-CG1 3.3Å; V709-I713 WeakPolarHBondContact O-CG1 3.44Å; V709-I713 PolarHBondContact O-N 2.96Å; L710-I713 WeakPolarHBondContact O-CB 3.35Å; L710-I713 PolarHBondContact O-N 2.88Å; L711-I713 VanDerWaalsContact C-N 3.3Å; L711-I713 PolarHBondContact O-N 3.39Å; I713-S716 PolarHBondContact O-N 3.42Å; I713-S717 WeakPolarHBondContact O-CB 3.27Å; I713-S717 PolarHBondContact O-N 2.87Å; I713-S717 PolarHBondContact O-OG 3.38Å; I713-F747 HydrophobicContact CG1-CE1 3.75Å; I713-F747 HydrophobicContact CG1-CZ 3.8Å; I713-R810 HydrophobicContact CD1-CB 3.92Å
714L87.9Confident87.2Confident103 Ų10353.7 Ų53.754%0.53929%0.287SS..Hα-helixtrans-62.9-47.5179.7-68.2176.1000111.8L710 L711 S717 A718L710-L714 WeakPolarHBondContact O-CG 3.24Å; L710-L714 PolarHBondContact O-N 3.16Å; L711-L714 PolarHBondContact O-N 2.9Å; L714-S717 PolarHBondContact O-N 3.15Å; L714-A718 PolarHBondContact O-N 3.19Å
715V90.4Very high86.8Confident61 Ų6146 Ų4637%0.3726%0.26SS..Hα-helixtrans-64.6-46177.31780000110.6L711 S717 A718 L719 F743L711-V715 HydrophobicContact CD1-CG2 4.33Å; L711-V715 HydrophobicContact CG-CG2 4.4Å; L711-V715 WeakPolarHBondContact O-CG2 3.31Å; L711-V715 PolarHBondContact O-N 3Å; V715-S717 PolarHBondContact O-N 2.92Å; V715-A718 PolarHBondContact O-N 2.99Å; V715-L719 HydrophobicContact CG1-CD1 4.26Å; V715-L719 HydrophobicContact CG1-CG 4.41Å; V715-L719 WeakPolarHBondContact O-CG 3.28Å; V715-L719 PolarHBondContact O-N 3.25Å; V715-F743 HydrophobicContact CB-CE1 4.43Å; V715-F743 HydrophobicContact CB-CZ 4.05Å; V715-F743 HydrophobicContact CG1-CE1 4.38Å; V715-F743 HydrophobicContact CG1-CE2 4.18Å; V715-F743 HydrophobicContact CG1-CZ 3.55Å
716S88.4Confident86.2Confident3 Ų345.4 Ų45.42%0.02126%0.258CS..Hα-helixtrans-60.2-31.3176177.30000112.6C712 I713 L720 R807C712-S716 WeakPolarHBondContact O-CB 3.25Å; C712-S716 PolarHBondContact O-N 3.37Å; I713-S716 PolarHBondContact O-N 3.42Å; S716-L720 PolarHBondContact O-N 3.32Å; S716-R807 WeakPolarHBondContact OG-CD 3.47Å; S716-R807 PolarHBondContact OG-NH1 3.03Å
717S88Confident85.6Confident9 Ų943.3 Ų43.36%0.06325%0.252CS..Hα-helixtrans-74.8-45177.1-54.10000110.4I713 L714 V715 L719 L720 A721 F1162I713-S717 WeakPolarHBondContact O-CB 3.27Å; I713-S717 PolarHBondContact O-N 2.87Å; I713-S717 PolarHBondContact O-OG 3.38Å; L714-S717 PolarHBondContact O-N 3.15Å; V715-S717 PolarHBondContact O-N 2.92Å; S717-L719 PolarHBondContact O-N 2.95Å; S717-L720 WeakPolarHBondContact O-CB 3.36Å; S717-L720 PolarHBondContact O-N 3.34Å; S717-L720 VanDerWaalsContact O-N 3.08Å; S717-A721 PolarHBondContact O-N 3.31Å; S717-F1162 WeakPolarHBondContact O-CZ 3.44Å
718A86.9Confident84.6Confident61 Ų6143.8 Ų43.850%0.50425%0.25SS..Hα-helixtrans-58.4-37.4176.400000112.5L714 V715 A721 A722L714-A718 PolarHBondContact O-N 3.19Å; V715-A718 PolarHBondContact O-N 2.99Å; A718-A721 PolarHBondContact O-N 3.32Å; A718-A722 PolarHBondContact O-N 3.09Å
719L88.3Confident83.7Confident46 Ų4646.7 Ų46.724%0.24126%0.261CS..Hα-helixtrans-68.3-32.1176.3-68.5179.5000113.4V715 S717 A721 A722 L736 F739 F743V715-L719 HydrophobicContact CG1-CD1 4.26Å; V715-L719 HydrophobicContact CG1-CG 4.41Å; V715-L719 WeakPolarHBondContact O-CG 3.28Å; V715-L719 PolarHBondContact O-N 3.25Å; S717-L719 PolarHBondContact O-N 2.95Å; L719-A721 VanDerWaalsContact C-N 3.28Å; L719-A721 PolarHBondContact O-N 3.34Å; L719-A722 PolarHBondContact O-N 3.47Å; L719-L736 HydrophobicContact CB-CD2 3.97Å; L719-L736 HydrophobicContact CD2-CD2 3.69Å; L719-L736 HydrophobicContact CG-CD2 4.29Å; L719-F739 HydrophobicContact CD1-CB 3.64Å; L719-F739 HydrophobicContact CD1-CD1 4.47Å; L719-F739 HydrophobicContact CD1-CD2 4.35Å; L719-F739 HydrophobicContact CD1-CG 3.93Å; L719-F743 HydrophobicContact CD1-CD2 4.21Å; L719-F743 HydrophobicContact CD1-CE2 3.45Å; L719-F743 VanDerWaalsContact CD1-CE2 3.45Å; L719-F743 HydrophobicContact CD1-CZ 4.32Å
720L84.6Confident83.2Confident13 Ų1348 Ų487%0.06827%0.27CS..Hα-helixtrans-65.1-34.5172.7-74.4170.6000111.8S716 S717 A722 E723 R807S716-L720 PolarHBondContact O-N 3.32Å; S717-L720 WeakPolarHBondContact O-CB 3.36Å; S717-L720 PolarHBondContact O-N 3.34Å; S717-L720 VanDerWaalsContact O-N 3.08Å; L720-A722 PolarHBondContact O-N 3.48Å; L720-E723 PolarHBondContact O-N 3.33Å; L720-R807 HydrophobicContact CD1-CB 4.5Å
721A86.7Confident83.1Confident20 Ų2049.2 Ų49.217%0.16528%0.284CS..THydrogen-bonded Turntrans-72.8-14.417700000113.4S717 A718 L719 F1162 F1192S717-A721 PolarHBondContact O-N 3.31Å; A718-A721 PolarHBondContact O-N 3.32Å; L719-A721 VanDerWaalsContact C-N 3.28Å; L719-A721 PolarHBondContact O-N 3.34Å; A721-F1162 HydrophobicContact CB-CE2 4.12Å; A721-F1162 HydrophobicContact CB-CZ 4.39Å; A721-F1192 HydrophobicContact CB-CB 4.03Å; A721-F1192 HydrophobicContact CB-CD1 4.13Å; A721-F1192 HydrophobicContact CB-CD2 3.66Å; A721-F1192 HydrophobicContact CB-CE2 4.14Å; A721-F1192 HydrophobicContact CB-CG 3.66Å; A721-F1192 VanDerWaalsContact O-CB 3.27Å; A721-F1192 WeakPolarHBondContact O-CB 3.43Å
722A86.6Confident82.9Confident48 Ų4848 Ų4840%0.39728%0.277SS..THydrogen-bonded Turntrans-93.5-6.3178.200000113.4A718 L719 L720 L732 L736A718-A722 PolarHBondContact O-N 3.09Å; L719-A722 PolarHBondContact O-N 3.47Å; L720-A722 PolarHBondContact O-N 3.48Å; A722-L732 WeakPolarHBondContact O-CD2 3.47Å; A722-L736 HydrophobicContact CB-CD1 4.4Å
723E83Confident82.6Confident54 Ų5448.5 Ų48.525%0.25228%0.279SS..  trans-61.6133.4-179-170.5175.6-167.700111.2L720 P725 L736 M1169 Q1170L720-E723 PolarHBondContact O-N 3.33Å; E723-P725 WeakPolarHBondContact O-CD 3.5Å; E723-L736 HydrophobicContact CB-CD1 4.1Å; E723-M1169 HydrophobicContact CB-CE 4.12Å; E723-M1169 WeakPolarHBondContact O-CE 3.35Å; E723-Q1170 PolarHBondContact OE2-NE2 2.73Å
724D80.9Confident82.4Confident48 Ų4855.1 Ų55.126%0.25731%0.31SS..  trans-89.3116.3175.7179.16.8000109.9L726 T727 N733D724-L726 PolarHBondContact OD1-N 3.47Å; D724-L726 VanDerWaalsContact OD1-N 3.07Å; D724-T727 PolarHBondContact OD2-OG1 3.34Å; D724-N733 PolarHBondContact N-OD1 3.3Å; D724-N733 PolarHBondContact O-ND2 2.82Å
725P78.2Confident82.4Confident22 Ų2255 Ų5514%0.14331%0.309CS..SBendtrans-78-17-17731.8-36.2000114.6E723 M1169 R1190E723-P725 WeakPolarHBondContact O-CD 3.5Å; P725-M1169 HydrophobicContact CB-CG 4.45Å; P725-M1169 WeakPolarHBondContact CB-O 3.38Å; P725-M1169 HydrophobicContact CG-CG 3.96Å; P725-R1190 WeakPolarHBondContact CD-O 3.23Å; P725-R1190 WeakPolarHBondContact CG-O 3.23Å
726L75.5Confident82.2Confident19 Ų1953.3 Ų53.310%0.09930%0.298CS..SBendtrans-80.6-54.4-172-79.2150.5000112.2D724 R1190 D1224D724-L726 PolarHBondContact OD1-N 3.47Å; D724-L726 VanDerWaalsContact OD1-N 3.07Å; L726-R1190 HydrophobicContact CD1-CG 4.2Å; L726-D1224 HydrophobicContact CD2-CB 3.95Å
727T72Confident81.9Confident43 Ų4354.6 Ų54.626%0.26431%0.312SS..  trans-111.3118.1-172.859.50000111.2D724 Q729 S730 N733D724-T727 PolarHBondContact OD2-OG1 3.34Å; T727-Q729 PolarHBondContact O-N 3.27Å; T727-S730 WeakPolarHBondContact OG1-CB 3.43Å; T727-N733 PolarHBondContact O-ND2 2.9Å
728K67.5Low81.9Confident97 Ų9761.1 Ų61.142%0.42234%0.339SS..THydrogen-bonded Turntrans-68-29.2-179.7-69.3176.4-166.8154.40111.6E1230 E1231K728-E1230 PolarHBondContact N-OE2 3.03Å; K728-E1231 IonicContact NZ-OE1 3.89Å; K728-E1231 PolarHBondContact NZ-OE1 3.19Å
729Q69.4Low82Confident157 Ų15762.1 Ų62.173%0.73433%0.332SS*.THydrogen-bonded Turntrans-94.812.9-174.7-60.4-1761.400114.1T727 S731T727-Q729 PolarHBondContact O-N 3.27Å; Q729-S731 PolarHBondContact O-N 3.12Å
730S78Confident81.8Confident29 Ų2960.6 Ų60.620%0.20332%0.324CS..  trans-58.9135.5173.4-175.40000110.8T727 L732 N733 E734T727-S730 WeakPolarHBondContact OG1-CB 3.43Å; S730-L732 PolarHBondContact O-N 2.78Å; S730-L732 VanDerWaalsContact O-N 3.1Å; S730-N733 PolarHBondContact O-N 2.93Å; S730-E734 PolarHBondContact O-N 2.99Å
731S84.9Confident82Confident85 Ų8564.1 Ų64.159%0.59434%0.342SS*.Hα-helixtrans-55-30.7175.557.50000112.2Q729 I735Q729-S731 PolarHBondContact O-N 3.12Å; S731-I735 WeakPolarHBondContact O-CD1 3.47Å; S731-I735 VanDerWaalsContact O-CG1 3.27Å; S731-I735 WeakPolarHBondContact O-CG1 3.12Å; S731-I735 PolarHBondContact O-N 3.16Å
732L85.5Confident82.2Confident73 Ų7368.1 Ų68.138%0.38236%0.356SS..Hα-helixtrans-63.7-46.9174.2-173.1151.3000111.2A722 S730 E734 I735 L736A722-L732 WeakPolarHBondContact O-CD2 3.47Å; S730-L732 PolarHBondContact O-N 2.78Å; S730-L732 VanDerWaalsContact O-N 3.1Å; L732-E734 VanDerWaalsContact C-N 3.35Å; L732-E734 PolarHBondContact O-N 3.46Å; L732-I735 PolarHBondContact O-N 3.36Å; L732-L736 HydrophobicContact CD2-CD1 3.35Å; L732-L736 HydrophobicContact CD2-CG 3.82Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.25Å; L732-L736 PolarHBondContact O-N 3.3Å
733N83Confident82.4Confident26 Ų2666.5 Ų66.514%0.13934%0.34CS..Hα-helixtrans-66.4-35.4-178.8-77.2-15.6000112.2D724 T727 S730 L736 G737D724-N733 PolarHBondContact N-OD1 3.3Å; D724-N733 PolarHBondContact O-ND2 2.82Å; T727-N733 PolarHBondContact O-ND2 2.9Å; S730-N733 PolarHBondContact O-N 2.93Å; N733-L736 PolarHBondContact O-N 3.4Å; N733-G737 PolarHBondContact O-N 2.89Å
734E84.8Confident82.6Confident140 Ų14064.1 Ų64.165%0.65433%0.329SS*.Hα-helixtrans-62.2-46.1172.8-65.9-170.1159.600112S730 L732 G737 F738S730-E734 PolarHBondContact O-N 2.99Å; L732-E734 VanDerWaalsContact C-N 3.35Å; L732-E734 PolarHBondContact O-N 3.46Å; E734-G737 PolarHBondContact O-N 2.93Å; E734-F738 PolarHBondContact O-N 3.32Å
735I88.5Confident83Confident100 Ų10065 Ų6551%0.51334%0.336SS..Hα-helixtrans-63.3-44.6177.3-67.7166000110.6S731 L732 G737 F738 F739S731-I735 WeakPolarHBondContact O-CD1 3.47Å; S731-I735 VanDerWaalsContact O-CG1 3.27Å; S731-I735 WeakPolarHBondContact O-CG1 3.12Å; S731-I735 PolarHBondContact O-N 3.16Å; L732-I735 PolarHBondContact O-N 3.36Å; I735-G737 VanDerWaalsContact C-N 3.29Å; I735-G737 PolarHBondContact O-N 2.9Å; I735-F738 WeakPolarHBondContact O-CB 3.42Å; I735-F738 PolarHBondContact O-N 2.92Å; I735-F739 HydrophobicContact CG2-CD2 3.95Å; I735-F739 HydrophobicContact CG2-CE2 3.66Å; I735-F739 VanDerWaalsContact O-CD2 3.29Å; I735-F739 WeakPolarHBondContact O-CD2 3.39Å; I735-F739 PolarHBondContact O-N 3.47Å
736L86.2Confident83.6Confident27 Ų2765.6 Ų65.614%0.14134%0.34CS..Hα-helixtrans-61.2-37.9176.3-70.9-174.9000112L719 A722 E723 L732 N733 F738 F739 D740L719-L736 HydrophobicContact CB-CD2 3.97Å; L719-L736 HydrophobicContact CD2-CD2 3.69Å; L719-L736 HydrophobicContact CG-CD2 4.29Å; A722-L736 HydrophobicContact CB-CD1 4.4Å; E723-L736 HydrophobicContact CB-CD1 4.1Å; L732-L736 HydrophobicContact CD2-CD1 3.35Å; L732-L736 HydrophobicContact CD2-CG 3.82Å; L732-L736 VanDerWaalsContact O-CG 3.31Å; L732-L736 WeakPolarHBondContact O-CG 3.25Å; L732-L736 PolarHBondContact O-N 3.3Å; N733-L736 PolarHBondContact O-N 3.4Å; L736-F738 VanDerWaalsContact C-N 3.32Å; L736-F738 PolarHBondContact O-N 3.29Å; L736-F739 PolarHBondContact O-N 2.77Å; L736-D740 WeakPolarHBondContact O-CB 3.34Å; L736-D740 PolarHBondContact O-N 3.08Å
737G81.5Confident84.3Confident30 Ų3064.8 Ų64.831%0.30934%0.335SS..Hα-helixtrans-59.6-39175.200000113.1N733 E734 I735 D740 I741N733-G737 PolarHBondContact O-N 2.89Å; E734-G737 PolarHBondContact O-N 2.93Å; I735-G737 VanDerWaalsContact C-N 3.29Å; I735-G737 PolarHBondContact O-N 2.9Å; G737-D740 WeakPolarHBondContact O-CB 3.26Å; G737-D740 PolarHBondContact O-N 3.45Å; G737-I741 WeakPolarHBondContact O-CG1 3.33Å; G737-I741 PolarHBondContact O-N 2.9Å
738F87.5Confident85.2Confident145 Ų14564.1 Ų64.164%0.63633%0.331SS*.Hα-helixtrans-64.6-45.5174.8179.7-96.7000112E734 I735 L736 D740 I741 F742E734-F738 PolarHBondContact O-N 3.32Å; I735-F738 WeakPolarHBondContact O-CB 3.42Å; I735-F738 PolarHBondContact O-N 2.92Å; L736-F738 VanDerWaalsContact C-N 3.32Å; L736-F738 PolarHBondContact O-N 3.29Å; F738-D740 VanDerWaalsContact C-N 3.29Å; F738-D740 PolarHBondContact O-N 3.31Å; F738-I741 PolarHBondContact O-N 2.94Å; F738-F742 PolarHBondContact O-N 3.21Å; F738-F742 VanDerWaalsContact O-N 3.12Å
739F89.4Confident86.3Confident83 Ų8364.1 Ų64.136%0.36434%0.335SS..Hα-helixtrans-62.9-36.4175.6-76.9-64.5000112.4L719 I735 L736 I741 F742 F743L719-F739 HydrophobicContact CD1-CB 3.64Å; L719-F739 HydrophobicContact CD1-CD1 4.47Å; L719-F739 HydrophobicContact CD1-CD2 4.35Å; L719-F739 HydrophobicContact CD1-CG 3.93Å; I735-F739 HydrophobicContact CG2-CD2 3.95Å; I735-F739 HydrophobicContact CG2-CE2 3.66Å; I735-F739 VanDerWaalsContact O-CD2 3.29Å; I735-F739 WeakPolarHBondContact O-CD2 3.39Å; I735-F739 PolarHBondContact O-N 3.47Å; L736-F739 PolarHBondContact O-N 2.77Å; F739-I741 VanDerWaalsContact C-N 3.34Å; F739-I741 PolarHBondContact O-N 3.37Å; F739-F742 WeakPolarHBondContact O-CB 3.16Å; F739-F742 PolarHBondContact O-N 3.39Å; F739-F742 VanDerWaalsContact O-N 3.16Å; F739-F743 HydrophobicContact CB-CD2 4.36Å; F739-F743 HydrophobicContact CB-CE2 4.08Å; F739-F743 HydrophobicContact CD1-CE2 4.35Å; F739-F743 WeakPolarHBondContact O-CD2 3.1Å; F739-F743 PolarHBondContact O-N 2.94Å
740D85.1Confident87.3Confident14 Ų1456.7 Ų56.78%0.07530%0.3CS..Hα-helixtrans-61.1-42.2177.9-17128.7000112.4L736 G737 F738 T744 F787 R804 R807L736-D740 WeakPolarHBondContact O-CB 3.34Å; L736-D740 PolarHBondContact O-N 3.08Å; G737-D740 WeakPolarHBondContact O-CB 3.26Å; G737-D740 PolarHBondContact O-N 3.45Å; F738-D740 VanDerWaalsContact C-N 3.29Å; F738-D740 PolarHBondContact O-N 3.31Å; D740-T744 VanDerWaalsContact O-CB 3.3Å; D740-T744 WeakPolarHBondContact O-CB 3.37Å; D740-T744 PolarHBondContact O-N 3.39Å; D740-T744 PolarHBondContact O-OG1 3.11Å; D740-F787 HydrophobicContact CB-CZ 4.29Å; D740-F787 WeakPolarHBondContact OD2-CZ 3.25Å; D740-R804 IonicContact OD2-CZ 3.6Å; D740-R804 IonicContact OD2-NE 3.23Å; D740-R804 IonicContact OD2-NH1 3.99Å; D740-R804 PolarHBondContact OD2-NH1 3.45Å; D740-R804 IonicContact OD2-NH2 3.7Å; D740-R804 PolarHBondContact OD2-NH2 3.11Å; D740-R807 IonicContact OD1-CZ 3.19Å; D740-R807 IonicContact OD1-NH1 2.77Å; D740-R807 PolarHBondContact OD1-NH1 2.86Å; D740-R807 IonicContact OD1-NH2 3.91Å; D740-R807 PolarHBondContact OD1-NH2 3.38Å; D740-R807 IonicContact OD2-NH2 2.76Å
741I87Confident87.7Confident86 Ų8655.6 Ų55.644%0.44129%0.292SS..Hα-helixtrans-60.7-49.4172.5-65.1167.2000109.6G737 F738 F739 F743 T744 T745 F787G737-I741 WeakPolarHBondContact O-CG1 3.33Å; G737-I741 PolarHBondContact O-N 2.9Å; F738-I741 PolarHBondContact O-N 2.94Å; F739-I741 VanDerWaalsContact C-N 3.34Å; F739-I741 PolarHBondContact O-N 3.37Å; I741-F743 PolarHBondContact O-N 2.91Å; I741-T744 PolarHBondContact O-N 3.47Å; I741-T745 HydrophobicContact CG2-CG2 4.47Å; I741-T745 WeakPolarHBondContact O-CG2 3.49Å; I741-T745 PolarHBondContact O-N 3.44Å; I741-F787 HydrophobicContact CB-CZ 4.41Å; I741-F787 HydrophobicContact CD1-CE1 4.24Å; I741-F787 HydrophobicContact CG1-CD1 4.15Å; I741-F787 HydrophobicContact CG1-CE1 3.43Å; I741-F787 VanDerWaalsContact CG1-CE1 3.43Å; I741-F787 HydrophobicContact CG1-CE2 4.41Å; I741-F787 HydrophobicContact CG1-CZ 3.59Å
742F91.3Very high87.9Confident105 Ų10556.9 Ų56.946%0.46129%0.291SS..Hα-helixtrans-54.7-53178.3173.2-98.4000112.1F738 F739 T744 T745 V746F738-F742 PolarHBondContact O-N 3.21Å; F738-F742 VanDerWaalsContact O-N 3.12Å; F739-F742 WeakPolarHBondContact O-CB 3.16Å; F739-F742 PolarHBondContact O-N 3.39Å; F739-F742 VanDerWaalsContact O-N 3.16Å; F742-T744 VanDerWaalsContact C-N 3.35Å; F742-T744 PolarHBondContact O-N 3.41Å; F742-T745 PolarHBondContact O-N 3.5Å; F742-T745 PolarHBondContact O-OG1 2.79Å; F742-V746 HydrophobicContact CE1-CG2 4.19Å; F742-V746 HydrophobicContact CE2-CG2 4.38Å; F742-V746 HydrophobicContact CZ-CG2 4.07Å; F742-V746 PolarHBondContact O-N 2.86Å; F742-V746 VanDerWaalsContact O-N 3.11Å
743F90.5Very high88.1Confident13 Ų1354.4 Ų54.46%0.05728%0.278CS..Hα-helixtrans-64.9-38.4-179.7-70-62.2000112.7C712 V715 L719 F739 I741 T745 V746 F747C712-F743 HydrophobicContact CB-CD1 4.03Å; C712-F743 HydrophobicContact CB-CE1 4.09Å; V715-F743 HydrophobicContact CB-CE1 4.43Å; V715-F743 HydrophobicContact CB-CZ 4.05Å; V715-F743 HydrophobicContact CG1-CE1 4.38Å; V715-F743 HydrophobicContact CG1-CE2 4.18Å; V715-F743 HydrophobicContact CG1-CZ 3.55Å; L719-F743 HydrophobicContact CD1-CD2 4.21Å; L719-F743 HydrophobicContact CD1-CE2 3.45Å; L719-F743 VanDerWaalsContact CD1-CE2 3.45Å; L719-F743 HydrophobicContact CD1-CZ 4.32Å; F739-F743 HydrophobicContact CB-CD2 4.36Å; F739-F743 HydrophobicContact CB-CE2 4.08Å; F739-F743 HydrophobicContact CD1-CE2 4.35Å; F739-F743 WeakPolarHBondContact O-CD2 3.1Å; F739-F743 PolarHBondContact O-N 2.94Å; I741-F743 PolarHBondContact O-N 2.91Å; F743-T745 VanDerWaalsContact C-N 3.29Å; F743-T745 PolarHBondContact O-N 3.13Å; F743-V746 PolarHBondContact O-N 3.39Å; F743-F747 HydrophobicContact CB-CD2 4.37Å; F743-F747 HydrophobicContact CB-CE2 3.92Å; F743-F747 WeakPolarHBondContact O-CD2 3.37Å; F743-F747 WeakPolarHBondContact O-CG 3.41Å; F743-F747 PolarHBondContact O-N 3.41Å
744T87.7Confident88.2Confident5 Ų554.2 Ų54.23%0.03128%0.277CS..Hα-helixtrans-60.9-39.8175.6-57.70000111.1D740 I741 F742 F747 T748 L784 F787 R807D740-T744 VanDerWaalsContact O-CB 3.3Å; D740-T744 WeakPolarHBondContact O-CB 3.37Å; D740-T744 PolarHBondContact O-N 3.39Å; D740-T744 PolarHBondContact O-OG1 3.11Å; I741-T744 PolarHBondContact O-N 3.47Å; F742-T744 VanDerWaalsContact C-N 3.35Å; F742-T744 PolarHBondContact O-N 3.41Å; T744-F747 PolarHBondContact O-N 3.11Å; T744-T748 HydrophobicContact CG2-CG2 4.41Å; T744-T748 VanDerWaalsContact O-CG2 3.26Å; T744-T748 WeakPolarHBondContact O-CG2 3.15Å; T744-T748 PolarHBondContact O-N 2.92Å; T744-T748 PolarHBondContact O-OG1 3.43Å; T744-T748 VanDerWaalsContact O-OG1 3.11Å; T744-L784 HydrophobicContact CG2-CD2 4.17Å; T744-L784 HydrophobicContact CG2-CG 4.38Å; T744-F787 HydrophobicContact CG2-CE2 4.1Å; T744-R807 PolarHBondContact OG1-NH2 3.44Å
745T89.8Confident88.2Confident65 Ų6548.6 Ų48.640%0.39925%0.251SS..Hα-helixtrans-64.2-41.7174.365.50000112.7I741 F742 F743 F747 T748 I749I741-T745 HydrophobicContact CG2-CG2 4.47Å; I741-T745 WeakPolarHBondContact O-CG2 3.49Å; I741-T745 PolarHBondContact O-N 3.44Å; F742-T745 PolarHBondContact O-N 3.5Å; F742-T745 PolarHBondContact O-OG1 2.79Å; F743-T745 VanDerWaalsContact C-N 3.29Å; F743-T745 PolarHBondContact O-N 3.13Å; T745-F747 VanDerWaalsContact C-N 3.32Å; T745-F747 PolarHBondContact O-N 2.86Å; T745-T748 WeakPolarHBondContact CA-OG1 3.19Å; T745-T748 PolarHBondContact O-N 3.48Å; T745-T748 PolarHBondContact O-OG1 2.88Å; T745-I749 VanDerWaalsContact O-CG1 3.3Å; T745-I749 WeakPolarHBondContact O-CG1 3.48Å; T745-I749 PolarHBondContact O-N 2.82Å; T745-I749 VanDerWaalsContact O-N 3.09Å
746V91.1Very high88.1Confident35 Ų3544.5 Ų44.521%0.21223%0.23CC..Hα-helixtrans-61.6-42.7176.5174.60000111.1F742 F743 I749 E750F742-V746 HydrophobicContact CE1-CG2 4.19Å; F742-V746 HydrophobicContact CE2-CG2 4.38Å; F742-V746 HydrophobicContact CZ-CG2 4.07Å; F742-V746 PolarHBondContact O-N 2.86Å; F742-V746 VanDerWaalsContact O-N 3.11Å; F743-V746 PolarHBondContact O-N 3.39Å; V746-I749 PolarHBondContact O-N 3.49Å; V746-E750 PolarHBondContact O-N 3.25Å
747F90.3Very high88Confident3 Ų343.7 Ų43.71%0.01323%0.227CC..Hα-helixtrans-73.9-34-179.1-60.7-40.1000113.7V709 C712 I713 F743 T744 T745 E750 I751 V780 R810V709-F747 HydrophobicContact CG1-CD1 4.31Å; V709-F747 HydrophobicContact CG1-CE1 4.08Å; C712-F747 HydrophobicContact CB-CE1 4.08Å; C712-F747 HydrophobicContact CB-CZ 4.26Å; I713-F747 HydrophobicContact CG1-CE1 3.75Å; I713-F747 HydrophobicContact CG1-CZ 3.8Å; F743-F747 HydrophobicContact CB-CD2 4.37Å; F743-F747 HydrophobicContact CB-CE2 3.92Å; F743-F747 WeakPolarHBondContact O-CD2 3.37Å; F743-F747 WeakPolarHBondContact O-CG 3.41Å; F743-F747 PolarHBondContact O-N 3.41Å; T744-F747 PolarHBondContact O-N 3.11Å; T745-F747 VanDerWaalsContact C-N 3.32Å; T745-F747 PolarHBondContact O-N 2.86Å; F747-E750 WeakPolarHBondContact O-CB 3.44Å; F747-E750 PolarHBondContact O-N 2.97Å; F747-I751 WeakPolarHBondContact O-CG1 3.27Å; F747-I751 PolarHBondContact O-N 3.42Å; F747-V780 HydrophobicContact CB-CG2 3.79Å; F747-R810 VanDerWaalsContact CD2-NH1 3.28Å
748T90.2Very high87.9Confident28 Ų2844.7 Ų44.717%0.17223%0.225CC..Hα-helixtrans-62.8-44.8171.451.10000111T744 T745 E750 I751 L752 V780 L784T744-T748 HydrophobicContact CG2-CG2 4.41Å; T744-T748 VanDerWaalsContact O-CG2 3.26Å; T744-T748 WeakPolarHBondContact O-CG2 3.15Å; T744-T748 PolarHBondContact O-N 2.92Å; T744-T748 PolarHBondContact O-OG1 3.43Å; T744-T748 VanDerWaalsContact O-OG1 3.11Å; T745-T748 WeakPolarHBondContact CA-OG1 3.19Å; T745-T748 PolarHBondContact O-N 3.48Å; T745-T748 PolarHBondContact O-OG1 2.88Å; T748-E750 VanDerWaalsContact C-N 3.33Å; T748-E750 PolarHBondContact O-N 3.5Å; T748-I751 PolarHBondContact O-N 2.97Å; T748-L752 WeakPolarHBondContact O-CB 3.31Å; T748-L752 VanDerWaalsContact O-CG 3.27Å; T748-L752 WeakPolarHBondContact O-CG 3.46Å; T748-L752 PolarHBondContact O-N 2.95Å; T748-V780 HydrophobicContact CG2-CG1 3.35Å; T748-L784 HydrophobicContact CG2-CD1 3.84Å; T748-L784 HydrophobicContact CG2-CD2 4.11Å; T748-L784 HydrophobicContact CG2-CG 4.12Å
749I91.1Very high87.5Confident97 Ų9737.9 Ų37.950%0.49720%0.195SC..Hα-helixtrans-59.2-44.8175.4-67.3166.8000110.8T745 V746 I751 L752 L753T745-I749 VanDerWaalsContact O-CG1 3.3Å; T745-I749 WeakPolarHBondContact O-CG1 3.48Å; T745-I749 PolarHBondContact O-N 2.82Å; T745-I749 VanDerWaalsContact O-N 3.09Å; V746-I749 PolarHBondContact O-N 3.49Å; I749-I751 PolarHBondContact O-N 2.92Å; I749-L752 PolarHBondContact O-N 3.39Å; I749-L753 HydrophobicContact CG2-CD1 4.01Å; I749-L753 HydrophobicContact CG2-CG 4.44Å; I749-L753 WeakPolarHBondContact O-CB 3.46Å; I749-L753 VanDerWaalsContact O-CG 3.27Å; I749-L753 WeakPolarHBondContact O-CG 3.28Å; I749-L753 PolarHBondContact O-N 3.42Å
750E89.3Confident87.1Confident1 Ų137.1 Ų37.11%0.00520%0.195CC..Hα-helixtrans-56.8-48.9176.2-178.2-151.1162.200112.2F705 V709 V746 F747 T748 L753 K754 R810 R814F705-E750 HydrophobicContact CE1-CG 4.27Å; F705-E750 HydrophobicContact CZ-CB 4.4Å; F705-E750 HydrophobicContact CZ-CG 4.23Å; V709-E750 WeakPolarHBondContact CG1-OE2 3.23Å; V746-E750 PolarHBondContact O-N 3.25Å; F747-E750 WeakPolarHBondContact O-CB 3.44Å; F747-E750 PolarHBondContact O-N 2.97Å; T748-E750 VanDerWaalsContact C-N 3.33Å; T748-E750 PolarHBondContact O-N 3.5Å; E750-L753 PolarHBondContact O-N 2.96Å; E750-K754 WeakPolarHBondContact O-CG 3.3Å; E750-K754 PolarHBondContact O-N 2.82Å; E750-K754 WeakPolarHBondContact OE1-CE 3.46Å; E750-K754 IonicContact OE1-NZ 3.77Å; E750-K754 PolarHBondContact OE1-NZ 3.43Å; E750-R810 IonicContact OE1-NH2 2.67Å; E750-R810 IonicContact OE2-CZ 3.45Å; E750-R810 IonicContact OE2-NH2 3.62Å; E750-R810 PolarHBondContact OE2-NH2 3.14Å; E750-R814 IonicContact OE1-CZ 3.86Å; E750-R814 IonicContact OE1-NH2 2.95Å; E750-R814 PolarHBondContact OE1-NH2 3.47Å; E750-R814 IonicContact OE2-NH2 2.69Å
751I87.7Confident86.8Confident7 Ų741.7 Ų41.74%0.03622%0.219CC..Hα-helixtrans-66.8-41.9-179.1-69.4-175.8000111.1F747 T748 I749 L753 K754 I755 F767 D776 L777 V780F747-I751 WeakPolarHBondContact O-CG1 3.27Å; F747-I751 PolarHBondContact O-N 3.42Å; T748-I751 PolarHBondContact O-N 2.97Å; I749-I751 PolarHBondContact O-N 2.92Å; I751-L753 VanDerWaalsContact C-N 3.3Å; I751-L753 PolarHBondContact O-N 3.17Å; I751-K754 PolarHBondContact O-N 3.01Å; I751-K754 VanDerWaalsContact O-N 3.11Å; I751-I755 HydrophobicContact CG2-CD1 3.61Å; I751-I755 HydrophobicContact CG2-CG1 4.12Å; I751-I755 WeakPolarHBondContact O-CG1 3.29Å; I751-I755 PolarHBondContact O-N 3.28Å; I751-F767 HydrophobicContact CG2-CE1 4.38Å; I751-F767 HydrophobicContact CG2-CZ 4.28Å; I751-D776 HydrophobicContact CD1-CB 4.34Å; I751-D776 VanDerWaalsContact CD1-O 3.28Å; I751-D776 WeakPolarHBondContact CD1-O 3.34Å; I751-L777 HydrophobicContact CG2-CD1 4.1Å; I751-V780 HydrophobicContact CD1-CB 3.67Å; I751-V780 HydrophobicContact CD1-CG1 4.24Å; I751-V780 HydrophobicContact CD1-CG2 3.37Å; I751-V780 HydrophobicContact CG1-CG2 4.38Å
752L88.9Confident86.1Confident111 Ų11144.2 Ų44.258%0.58123%0.232SC*.Hα-helixtrans-58.3-44.6175.4-72.1171.2000111.2T748 I749 K754 I755 V756T748-L752 WeakPolarHBondContact O-CB 3.31Å; T748-L752 VanDerWaalsContact O-CG 3.27Å; T748-L752 WeakPolarHBondContact O-CG 3.46Å; T748-L752 PolarHBondContact O-N 2.95Å; I749-L752 PolarHBondContact O-N 3.39Å; L752-K754 PolarHBondContact O-N 2.86Å; L752-I755 PolarHBondContact O-N 3.22Å; L752-V756 VanDerWaalsContact O-CG2 3.27Å; L752-V756 WeakPolarHBondContact O-CG2 3.2Å; L752-V756 PolarHBondContact O-N 2.82Å
753L88.3Confident85.3Confident21 Ų2140.6 Ų40.611%0.1122%0.217CC..Hα-helixtrans-60.3-42.8174.6-70.8170.4000111.7S696 L699 I700 F705 I749 E750 I751 V756 V757S696-L753 WeakPolarHBondContact OG-CD2 3.28Å; L699-L753 HydrophobicContact CD2-CD1 3.89Å; I700-L753 VanDerWaalsContact CD1-C 3.49Å; I700-L753 HydrophobicContact CD1-CB 3.87Å; I700-L753 WeakPolarHBondContact CD1-O 3.35Å; I700-L753 HydrophobicContact CG1-CB 4.14Å; F705-L753 HydrophobicContact CE2-CD1 4.48Å; F705-L753 HydrophobicContact CZ-CD1 4.22Å; I749-L753 HydrophobicContact CG2-CD1 4.01Å; I749-L753 HydrophobicContact CG2-CG 4.44Å; I749-L753 WeakPolarHBondContact O-CB 3.46Å; I749-L753 VanDerWaalsContact O-CG 3.27Å; I749-L753 WeakPolarHBondContact O-CG 3.28Å; I749-L753 PolarHBondContact O-N 3.42Å; E750-L753 PolarHBondContact O-N 2.96Å; I751-L753 VanDerWaalsContact C-N 3.3Å; I751-L753 PolarHBondContact O-N 3.17Å; L753-V756 PolarHBondContact O-N 3.17Å; L753-V757 WeakPolarHBondContact O-CG2 3.39Å; L753-V757 PolarHBondContact O-N 3.26Å
754K86.1Confident84.2Confident23 Ų2349.1 Ų49.110%0.125%0.254CS..Hα-helixtrans-64.3-44.6176.5-71.8-176.7-170.6168.20112.4I700 E750 I751 L752 V756 V757 D758 F767 D776I700-K754 HydrophobicContact CD1-CG 4.06Å; E750-K754 WeakPolarHBondContact O-CG 3.3Å; E750-K754 PolarHBondContact O-N 2.82Å; E750-K754 WeakPolarHBondContact OE1-CE 3.46Å; E750-K754 IonicContact OE1-NZ 3.77Å; E750-K754 PolarHBondContact OE1-NZ 3.43Å; I751-K754 PolarHBondContact O-N 3.01Å; I751-K754 VanDerWaalsContact O-N 3.11Å; L752-K754 PolarHBondContact O-N 2.86Å; K754-V756 VanDerWaalsContact C-N 3.27Å; K754-V756 PolarHBondContact O-N 3.41Å; K754-V757 PolarHBondContact O-N 3Å; K754-V757 VanDerWaalsContact O-N 3.14Å; K754-D758 PolarHBondContact O-N 3.25Å; K754-F767 HydrophobicContact CB-CD2 4.04Å; K754-F767 HydrophobicContact CB-CE2 3.84Å; K754-F767 HydrophobicContact CD-CD2 4.5Å; K754-F767 HydrophobicContact CD-CE2 3.71Å; K754-F767 HydrophobicContact CG-CE2 4.45Å; K754-D776 IonicContact NZ-OD2 3.05Å; K754-D776 PolarHBondContact NZ-OD2 3.16Å
755I85.8Confident83.3Confident22 Ų2251.3 Ų51.311%0.11328%0.277CS..Hα-helixtrans-61.9-37178.5-67.6170.1000110.7L683 I751 L752 G759 L760 F767L683-I755 HydrophobicContact CD1-CG2 4.04Å; L683-I755 HydrophobicContact CD2-CG2 4.03Å; L683-I755 HydrophobicContact CG-CG2 4.19Å; I751-I755 HydrophobicContact CG2-CD1 3.61Å; I751-I755 HydrophobicContact CG2-CG1 4.12Å; I751-I755 WeakPolarHBondContact O-CG1 3.29Å; I751-I755 PolarHBondContact O-N 3.28Å; L752-I755 PolarHBondContact O-N 3.22Å; I755-G759 WeakPolarHBondContact O-CA 3.33Å; I755-G759 PolarHBondContact O-N 3.13Å; I755-L760 HydrophobicContact CD1-CD1 4.16Å; I755-L760 HydrophobicContact CG1-CD1 4.35Å; I755-L760 HydrophobicContact CG2-CD1 4.3Å; I755-F767 HydrophobicContact CG1-CD1 4.12Å; I755-F767 HydrophobicContact CG1-CE1 4.41Å; I755-F767 HydrophobicContact CG1-CG 4.36Å
756V85.8Confident82.6Confident14 Ų1448.4 Ų48.49%0.08526%0.259CS..Hα-helixtrans-66.3-38.2175.5170.10000111.9S682 F686 F692 R693 L752 L753 K754S682-V756 VanDerWaalsContact CB-O 3.28Å; S682-V756 WeakPolarHBondContact CB-O 3.47Å; S682-V756 PolarHBondContact OG-O 3.39Å; F686-V756 HydrophobicContact CD1-CG1 4.35Å; F686-V756 HydrophobicContact CD2-CG1 4.38Å; F686-V756 HydrophobicContact CE2-CG2 4.24Å; F686-V756 HydrophobicContact CG-CG1 4.28Å; F692-V756 HydrophobicContact CD1-CG1 3.88Å; F692-V756 HydrophobicContact CE1-CG1 3.92Å; F692-V756 HydrophobicContact CE1-CG2 4.21Å; R693-V756 HydrophobicContact CB-CG1 4.44Å; R693-V756 HydrophobicContact CG-CG1 4.41Å; L752-V756 VanDerWaalsContact O-CG2 3.27Å; L752-V756 WeakPolarHBondContact O-CG2 3.2Å; L752-V756 PolarHBondContact O-N 2.82Å; L753-V756 PolarHBondContact O-N 3.17Å; K754-V756 VanDerWaalsContact C-N 3.27Å; K754-V756 PolarHBondContact O-N 3.41Å
757V83.4Confident82.1Confident10 Ų1046.7 Ų46.76%0.06125%0.249CC..Hα-helixtrans-76.3-53.8-178.2173.90000111.8R693 A697 I700 L753 K754R693-V757 PolarHBondContact NE-O 3.09Å; R693-V757 VanDerWaalsContact NE-O 3.13Å; R693-V757 PolarHBondContact NH2-O 3.37Å; A697-V757 HydrophobicContact CB-CG1 3.96Å; A697-V757 HydrophobicContact CB-CG2 3.94Å; I700-V757 HydrophobicContact CD1-CB 4.31Å; I700-V757 HydrophobicContact CD1-CG2 3.77Å; L753-V757 WeakPolarHBondContact O-CG2 3.39Å; L753-V757 PolarHBondContact O-N 3.26Å; K754-V757 PolarHBondContact O-N 3Å; K754-V757 VanDerWaalsContact O-N 3.14Å
758D79.3Confident81.7Confident51 Ų5147.8 Ų47.827%0.27326%0.257SS..THydrogen-bonded Turntrans-83.2-56-173.9-63.2-24.9000109.9K754 H763 F767K754-D758 PolarHBondContact O-N 3.25Å; D758-H763 PolarHBondContact O-CE1 3.23Å; D758-H763 PolarHBondContact O-NE2 3Å; D758-F767 HydrophobicContact CB-CB 4.41Å
759G79.8Confident81.2Confident2 Ų254.7 Ų54.72%0.02128%0.28CS..  trans107.3155.3-17300000112I755 F767I755-G759 WeakPolarHBondContact O-CA 3.33Å; I755-G759 PolarHBondContact O-N 3.13Å; G759-F767 VanDerWaalsContact O-CB 3.29Å; G759-F767 WeakPolarHBondContact O-CB 3.42Å; G759-F767 PolarHBondContact O-N 3.4Å
760L80.7Confident80.6Confident66 Ų6652.9 Ų52.935%0.34627%0.271SS..SBendtrans-76.1-65-163.8-164.667.9000115L683 I755 S766 C768L683-L760 HydrophobicContact CD2-CB 4.36Å; I755-L760 HydrophobicContact CD1-CD1 4.16Å; I755-L760 HydrophobicContact CG1-CD1 4.35Å; I755-L760 HydrophobicContact CG2-CD1 4.3Å; L760-S766 WeakPolarHBondContact O-CB 3.48Å; L760-C768 WeakPolarHBondContact O-CB 3.16Å; L760-C768 PolarHBondContact O-N 2.82Å
761L79.2Confident80.2Confident111 Ų11156.3 Ų56.358%0.58130%0.3SS*.SBendtrans-133.5-27.5-168.6-76.2157.7000116.3H763 C768L761-H763 PolarHBondContact O-N 3.42Å; L761-C768 HydrophobicContact CD2-CB 3.76Å; L761-C768 HydrophobicContact CG-CB 4.4Å
762L72.5Confident79.8Confident139 Ų13958.2 Ų58.273%0.72831%0.308SS*.SBendtrans-78.9-21.1-162.2-86.3108.9000117.6F684F684-L762 HydrophobicContact CE2-CD1 3.68Å; F684-L762 HydrophobicContact CZ-CD1 3.54Å; F684-L762 HydrophobicContact CZ-CD2 3.92Å; F684-L762 HydrophobicContact CZ-CG 4.37Å
763H73.9Confident79.5Confident29 Ų2953.8 Ų53.813%0.13429%0.285CS..SBendtrans-115.9158.5-171.167.3-69.1000112.3D758 L761 G765 S766D758-H763 PolarHBondContact O-CE1 3.23Å; D758-H763 PolarHBondContact O-NE2 3Å; L761-H763 PolarHBondContact O-N 3.42Å; H763-G765 PolarHBondContact CD2-N 3.45Å; H763-G765 PolarHBondContact NE2-O 3.11Å; H763-G765 PolarHBondContact O-N 2.93Å; H763-S766 WeakPolarHBondContact CE1-CA 3.37Å; H763-S766 PolarHBondContact CE1-N 3.2Å; H763-S766 WeakPolarHBondContact NE2-CA 3.46Å; H763-S766 PolarHBondContact NE2-N 2.96Å; H763-S766 WeakPolarHBondContact O-CB 3.23Å; H763-S766 PolarHBondContact O-N 3.34Å; H763-S766 PolarHBondContact O-OG 3.08Å
764K67.8Low79.3Confident192 Ų19257.1 Ų57.184%0.83530%0.302SS*.THydrogen-bonded Turntrans-58.1-24.1-177.7-71.7-174.6178.2-179.60113.8
765G69Low79.1Confident51 Ų5158.3 Ų58.353%0.52631%0.31SS..THydrogen-bonded Turntrans-94.412.3174.600000115.4H763H763-G765 PolarHBondContact CD2-N 3.45Å; H763-G765 PolarHBondContact NE2-O 3.11Å; H763-G765 PolarHBondContact O-N 2.93Å
766S73.7Confident79Confident3 Ų357.4 Ų57.42%0.02131%0.305CS..  trans-67.2145.6-171.862.70000113.4L760 H763 C768 R769L760-S766 WeakPolarHBondContact O-CB 3.48Å; H763-S766 WeakPolarHBondContact CE1-CA 3.37Å; H763-S766 PolarHBondContact CE1-N 3.2Å; H763-S766 WeakPolarHBondContact NE2-CA 3.46Å; H763-S766 PolarHBondContact NE2-N 2.96Å; H763-S766 WeakPolarHBondContact O-CB 3.23Å; H763-S766 PolarHBondContact O-N 3.34Å; H763-S766 PolarHBondContact O-OG 3.08Å; S766-C768 VanDerWaalsContact C-N 3.33Å; S766-C768 PolarHBondContact O-N 3.48Å; S766-R769 PolarHBondContact O-N 3.34Å; S766-R769 VanDerWaalsContact O-N 3.09Å; S766-R769 WeakPolarHBondContact OG-CD 3.49Å; S766-R769 VanDerWaalsContact OG-CG 3.31Å; S766-R769 WeakPolarHBondContact OG-CG 3.5Å
767F81.3Confident79Confident0 Ų058.7 Ų58.70%031%0.311CS..G310 helixtrans-49.6-48.7-176.7-178.5-101.4000112.8I751 K754 I755 D758 G759 R769 N770 N773 L777I751-F767 HydrophobicContact CG2-CE1 4.38Å; I751-F767 HydrophobicContact CG2-CZ 4.28Å; K754-F767 HydrophobicContact CB-CD2 4.04Å; K754-F767 HydrophobicContact CB-CE2 3.84Å; K754-F767 HydrophobicContact CD-CD2 4.5Å; K754-F767 HydrophobicContact CD-CE2 3.71Å; K754-F767 HydrophobicContact CG-CE2 4.45Å; I755-F767 HydrophobicContact CG1-CD1 4.12Å; I755-F767 HydrophobicContact CG1-CE1 4.41Å; I755-F767 HydrophobicContact CG1-CG 4.36Å; D758-F767 HydrophobicContact CB-CB 4.41Å; G759-F767 VanDerWaalsContact O-CB 3.29Å; G759-F767 WeakPolarHBondContact O-CB 3.42Å; G759-F767 PolarHBondContact O-N 3.4Å; F767-R769 VanDerWaalsContact C-N 3.33Å; F767-R769 PolarHBondContact O-N 2.95Å; F767-N770 PolarHBondContact O-N 3.49Å; F767-N773 HydrophobicContact CD1-CB 4.38Å; F767-N773 HydrophobicContact CD2-CB 3.82Å; F767-N773 HydrophobicContact CE1-CB 4.18Å; F767-N773 HydrophobicContact CE2-CB 3.56Å; F767-N773 HydrophobicContact CG-CB 4.21Å; F767-N773 HydrophobicContact CZ-CB 3.76Å; F767-N773 WeakPolarHBondContact CZ-O 3.41Å; F767-N773 WeakPolarHBondContact O-CB 3.23Å; F767-N773 PolarHBondContact O-ND2 2.99Å; F767-L777 HydrophobicContact CE1-CB 4.13Å
768C81.4Confident79.1Confident26 Ų2662.7 Ų62.718%0.17633%0.331CS..G310 helixtrans-75.1-11.7-175.4-63.30000115.3L760 L761 S766 N770L760-C768 WeakPolarHBondContact O-CB 3.16Å; L760-C768 PolarHBondContact O-N 2.82Å; L761-C768 HydrophobicContact CD2-CB 3.76Å; L761-C768 HydrophobicContact CG-CB 4.4Å; S766-C768 VanDerWaalsContact C-N 3.33Å; S766-C768 PolarHBondContact O-N 3.48Å; C768-N770 VanDerWaalsContact C-N 3.33Å
769R79.9Confident79.3Confident173 Ų17360.4 Ų60.465%0.65332%0.319SS*.G310 helixtrans-79.3-18177.4-74.2-178.892.71496.6112.9S766 F767S766-R769 PolarHBondContact O-N 3.34Å; S766-R769 VanDerWaalsContact O-N 3.09Å; S766-R769 WeakPolarHBondContact OG-CD 3.49Å; S766-R769 VanDerWaalsContact OG-CG 3.31Å; S766-R769 WeakPolarHBondContact OG-CG 3.5Å; F767-R769 VanDerWaalsContact C-N 3.33Å; F767-R769 PolarHBondContact O-N 2.95Å
770N79.3Confident79.6Confident58 Ų5860.7 Ų60.731%0.3132%0.321SS..SBendtrans-87.7116.8173.7179.716.6000109.7F767 C768 F772 N773 L774F767-N770 PolarHBondContact O-N 3.49Å; C768-N770 VanDerWaalsContact C-N 3.33Å; N770-F772 PolarHBondContact O-N 3.08Å; N770-F772 VanDerWaalsContact O-N 3.11Å; N770-F772 PolarHBondContact OD1-N 3.23Å; N770-N773 HydrophobicContact CB-CB 4.14Å; N770-N773 PolarHBondContact ND2-ND2 3.28Å; N770-N773 PolarHBondContact ND2-OD1 3.01Å; N770-N773 WeakPolarHBondContact O-CB 3.37Å; N770-N773 PolarHBondContact O-N 3.2Å; N770-L774 PolarHBondContact O-N 2.85Å; N770-L774 VanDerWaalsContact O-N 3.08Å
771A79.5Confident79.9Confident74 Ų7460.8 Ų60.861%0.61233%0.326SS*.Hα-helixtrans-53.7-35.2-178.300000113.1L774 L775A771-L774 WeakPolarHBondContact O-CB 3.18Å; A771-L774 PolarHBondContact O-N 3.2Å; A771-L775 PolarHBondContact O-N 2.96Å; A771-L775 VanDerWaalsContact O-N 3.1Å
772F80.1Confident80Confident47 Ų4756 Ų5621%0.20630%0.302CS..Hα-helixtrans-70.5-33.4178.4-63.1-74.3000113.5N770 L775 D776 I812 N813 K819N770-F772 PolarHBondContact O-N 3.08Å; N770-F772 VanDerWaalsContact O-N 3.11Å; N770-F772 PolarHBondContact OD1-N 3.23Å; F772-L775 PolarHBondContact O-N 3.21Å; F772-D776 PolarHBondContact O-N 3.06Å; F772-I812 HydrophobicContact CE1-CG2 4.04Å; F772-N813 HydrophobicContact CB-CB 4.06Å; F772-K819 HydrophobicContact CE2-CD 4.47Å; F772-K819 HydrophobicContact CE2-CG 4.41Å; F772-K819 HydrophobicContact CZ-CG 4.26Å
773N82.6Confident80.3Confident18 Ų1849.6 Ų49.610%0.09627%0.268CS..Hα-helixtrans-75.2-30.7175.7-72.5-10.5000111.2F767 N770 L775 D776 L777 N813F767-N773 HydrophobicContact CD1-CB 4.38Å; F767-N773 HydrophobicContact CD2-CB 3.82Å; F767-N773 HydrophobicContact CE1-CB 4.18Å; F767-N773 HydrophobicContact CE2-CB 3.56Å; F767-N773 HydrophobicContact CG-CB 4.21Å; F767-N773 HydrophobicContact CZ-CB 3.76Å; F767-N773 WeakPolarHBondContact CZ-O 3.41Å; F767-N773 WeakPolarHBondContact O-CB 3.23Å; F767-N773 PolarHBondContact O-ND2 2.99Å; N770-N773 HydrophobicContact CB-CB 4.14Å; N770-N773 PolarHBondContact ND2-ND2 3.28Å; N770-N773 PolarHBondContact ND2-OD1 3.01Å; N770-N773 WeakPolarHBondContact O-CB 3.37Å; N770-N773 PolarHBondContact O-N 3.2Å; N773-L775 VanDerWaalsContact C-N 3.34Å; N773-D776 WeakPolarHBondContact O-CB 3.28Å; N773-D776 PolarHBondContact O-N 3.12Å; N773-L777 PolarHBondContact O-N 2.99Å; N773-N813 PolarHBondContact OD1-ND2 2.92Å
774L84.6Confident80.9Confident90 Ų9052.6 Ų52.647%0.47129%0.285SS..Hα-helixtrans-64.6-39.1171.9-173.866.8000111.4N770 A771 L777 L778N770-L774 PolarHBondContact O-N 2.85Å; N770-L774 VanDerWaalsContact O-N 3.08Å; A771-L774 WeakPolarHBondContact O-CB 3.18Å; A771-L774 PolarHBondContact O-N 3.2Å; L774-L777 WeakPolarHBondContact O-CB 3.31Å; L774-L777 PolarHBondContact O-N 3.49Å; L774-L778 WeakPolarHBondContact O-CB 3.42Å; L774-L778 PolarHBondContact O-N 3.31Å
775L82.7Confident81.5Confident49 Ų4945.3 Ų45.326%0.25726%0.26SS..Hα-helixtrans-61.8-46.8172.4-173.1155.1000111.4A771 F772 N773 L777 L778 V779 L809 R810A771-L775 PolarHBondContact O-N 2.96Å; A771-L775 VanDerWaalsContact O-N 3.1Å; F772-L775 PolarHBondContact O-N 3.21Å; N773-L775 VanDerWaalsContact C-N 3.34Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 PolarHBondContact O-N 3.45Å; L775-L778 PolarHBondContact O-N 3.34Å; L775-V779 HydrophobicContact CD2-CG2 4.07Å; L775-V779 WeakPolarHBondContact O-CG2 3.28Å; L775-V779 PolarHBondContact O-N 2.59Å; L775-V779 VanDerWaalsContact O-N 3.08Å; L775-L809 HydrophobicContact CD1-CB 4.1Å; L775-L809 HydrophobicContact CD1-CD1 4.17Å; L775-L809 HydrophobicContact CD2-CB 4.02Å; L775-R810 HydrophobicContact CD2-CG 4.08Å
776D82.8Confident81.8Confident2 Ų243.5 Ų43.51%0.01124%0.24CC..Hα-helixtrans-55-44.8175-84.2-18.1000111.3I751 K754 F772 N773 V780 R810I751-D776 HydrophobicContact CD1-CB 4.34Å; I751-D776 VanDerWaalsContact CD1-O 3.28Å; I751-D776 WeakPolarHBondContact CD1-O 3.34Å; K754-D776 IonicContact NZ-OD2 3.05Å; K754-D776 PolarHBondContact NZ-OD2 3.16Å; F772-D776 PolarHBondContact O-N 3.06Å; N773-D776 WeakPolarHBondContact O-CB 3.28Å; N773-D776 PolarHBondContact O-N 3.12Å; D776-V780 PolarHBondContact O-N 2.79Å; D776-R810 WeakPolarHBondContact OD1-CB 3.5Å; D776-R810 VanDerWaalsContact OD1-CG 3.23Å; D776-R810 WeakPolarHBondContact OD1-CG 3.38Å; D776-R810 IonicContact OD1-CZ 3.98Å; D776-R810 IonicContact OD1-NE 3.41Å; D776-R810 PolarHBondContact OD1-NE 3.01Å; D776-R810 IonicContact OD1-NH2 2.72Å
777L86.6Confident81.9Confident41 Ų4146.4 Ų46.422%0.21525%0.252CS..Hα-helixtrans-62.3-47.9177.8-173.362.4000112I751 F767 N773 L774 L775 V779 V780 C781I751-L777 HydrophobicContact CG2-CD1 4.1Å; F767-L777 HydrophobicContact CE1-CB 4.13Å; N773-L777 PolarHBondContact O-N 2.99Å; L774-L777 WeakPolarHBondContact O-CB 3.31Å; L774-L777 PolarHBondContact O-N 3.49Å; L775-L777 VanDerWaalsContact C-N 3.27Å; L775-L777 PolarHBondContact O-N 3.45Å; L777-V779 PolarHBondContact O-N 3.28Å; L777-V780 PolarHBondContact O-N 3.36Å; L777-C781 WeakPolarHBondContact O-CB 3.3Å; L777-C781 PolarHBondContact O-N 2.91Å; L777-C781 PolarHBondContact O-SG 3.41Å
778L85.3Confident81.5Confident94 Ų9449.5 Ų49.549%0.49228%0.284SS..Hα-helixtrans-57.1-47.9-179.3-176.970.6000111.4L774 L775 V780 C781 V782L774-L778 WeakPolarHBondContact O-CB 3.42Å; L774-L778 PolarHBondContact O-N 3.31Å; L775-L778 PolarHBondContact O-N 3.34Å; L778-V780 VanDerWaalsContact C-N 3.31Å; L778-V780 PolarHBondContact O-N 2.84Å; L778-C781 PolarHBondContact O-N 3.27Å; L778-V782 HydrophobicContact CD1-CG2 4.47Å; L778-V782 HydrophobicContact CG-CG2 4.46Å; L778-V782 WeakPolarHBondContact O-CB 3.41Å; L778-V782 VanDerWaalsContact O-CG2 3.29Å; L778-V782 WeakPolarHBondContact O-CG2 3.36Å; L778-V782 PolarHBondContact O-N 3.08Å
779V82.5Confident80.9Confident3 Ų352.3 Ų52.32%0.01830%0.297CS..Hα-helixtrans-60.9-41-178.2174.50000111.8L775 L777 S783 L806 R807L775-V779 HydrophobicContact CD2-CG2 4.07Å; L775-V779 WeakPolarHBondContact O-CG2 3.28Å; L775-V779 PolarHBondContact O-N 2.59Å; L775-V779 VanDerWaalsContact O-N 3.08Å; L777-V779 PolarHBondContact O-N 3.28Å; V779-S783 WeakPolarHBondContact O-CB 3.43Å; V779-S783 PolarHBondContact O-N 3.45Å; V779-S783 PolarHBondContact O-OG 2.8Å; V779-L806 HydrophobicContact CG2-CB 3.79Å; V779-R807 HydrophobicContact CG1-CB 4.49Å; V779-R807 HydrophobicContact CG1-CG 3.57Å
780V87Confident80Confident9 Ų953 Ų536%0.05531%0.305CS..Hα-helixtrans-72.1-40.5178.9172.40000111.3F747 T748 I751 D776 L777 L778 S783 L784F747-V780 HydrophobicContact CB-CG2 3.79Å; T748-V780 HydrophobicContact CG2-CG1 3.35Å; I751-V780 HydrophobicContact CD1-CB 3.67Å; I751-V780 HydrophobicContact CD1-CG1 4.24Å; I751-V780 HydrophobicContact CD1-CG2 3.37Å; I751-V780 HydrophobicContact CG1-CG2 4.38Å; D776-V780 PolarHBondContact O-N 2.79Å; L777-V780 PolarHBondContact O-N 3.36Å; L778-V780 VanDerWaalsContact C-N 3.31Å; L778-V780 PolarHBondContact O-N 2.84Å; V780-S783 PolarHBondContact O-N 3.26Å; V780-L784 HydrophobicContact CG1-CD1 4.23Å; V780-L784 WeakPolarHBondContact O-CG 3.2Å; V780-L784 PolarHBondContact O-N 3.29Å
781C85.9Confident78.9Confident67 Ų6759 Ų5945%0.45333%0.328SS..Hα-helixtrans-61.1-44.3174.7-72.20000112.3L777 L778 S783 L784 A785L777-C781 WeakPolarHBondContact O-CB 3.3Å; L777-C781 PolarHBondContact O-N 2.91Å; L777-C781 PolarHBondContact O-SG 3.41Å; L778-C781 PolarHBondContact O-N 3.27Å; C781-S783 VanDerWaalsContact C-N 3.35Å; C781-L784 PolarHBondContact O-N 2.96Å; C781-A785 WeakPolarHBondContact O-CB 3.37Å; C781-A785 PolarHBondContact O-N 3.1Å
782V81.5Confident77.7Confident12 Ų1263.7 Ų63.77%0.07334%0.337CS..Hα-helixtrans-61-44.6175.3168.30000110.8L778 A785 S786 L800 L803L778-V782 HydrophobicContact CD1-CG2 4.47Å; L778-V782 HydrophobicContact CG-CG2 4.46Å; L778-V782 WeakPolarHBondContact O-CB 3.41Å; L778-V782 VanDerWaalsContact O-CG2 3.29Å; L778-V782 WeakPolarHBondContact O-CG2 3.36Å; L778-V782 PolarHBondContact O-N 3.08Å; V782-A785 PolarHBondContact O-N 3.03Å; V782-S786 WeakPolarHBondContact O-CB 3.43Å; V782-S786 PolarHBondContact O-N 3.25Å; V782-S786 PolarHBondContact O-OG 3.49Å; V782-L800 HydrophobicContact CG1-CD2 4.39Å; V782-L800 WeakPolarHBondContact CG1-O 3.28Å; V782-L803 HydrophobicContact CG1-CB 3.71Å; V782-L803 HydrophobicContact CG2-CB 4.34Å; V782-L803 HydrophobicContact CG2-CD1 4.2Å
783S80.2Confident76.4Confident3 Ų366.2 Ų66.22%0.02137%0.366CS..Hα-helixtrans-62.6-45.4179-57.70000110.9V779 V780 C781 S786 F787 R807V779-S783 WeakPolarHBondContact O-CB 3.43Å; V779-S783 PolarHBondContact O-N 3.45Å; V779-S783 PolarHBondContact O-OG 2.8Å; V780-S783 PolarHBondContact O-N 3.26Å; C781-S783 VanDerWaalsContact C-N 3.35Å; S783-S786 PolarHBondContact O-N 2.64Å; S783-S786 PolarHBondContact O-OG 3.4Å; S783-F787 WeakPolarHBondContact O-CD2 3.3Å; S783-F787 PolarHBondContact O-N 3.09Å; S783-R807 PolarHBondContact OG-NH2 2.83Å; S783-R807 VanDerWaalsContact OG-NH2 3.1Å
784L85.1Confident75.3Confident92 Ų9270 Ų7048%0.48239%0.386SS..Hα-helixtrans-63.3-43.3174.9-71.9173.4000113T744 T748 V780 C781 S786 F787 G788T744-L784 HydrophobicContact CG2-CD2 4.17Å; T744-L784 HydrophobicContact CG2-CG 4.38Å; T748-L784 HydrophobicContact CG2-CD1 3.84Å; T748-L784 HydrophobicContact CG2-CD2 4.11Å; T748-L784 HydrophobicContact CG2-CG 4.12Å; V780-L784 HydrophobicContact CG1-CD1 4.23Å; V780-L784 WeakPolarHBondContact O-CG 3.2Å; V780-L784 PolarHBondContact O-N 3.29Å; C781-L784 PolarHBondContact O-N 2.96Å; L784-S786 VanDerWaalsContact C-N 3.3Å; L784-S786 PolarHBondContact O-N 3.43Å; L784-F787 PolarHBondContact O-N 3.39Å; L784-G788 PolarHBondContact O-N 3.11Å
785A81.4Confident74.2Confident39 Ų3969.7 Ų69.732%0.32239%0.391SS..Hα-helixtrans-61.8-39.3179.100000111.9C781 V782 F787 G788 L789C781-A785 WeakPolarHBondContact O-CB 3.37Å; C781-A785 PolarHBondContact O-N 3.1Å; V782-A785 PolarHBondContact O-N 3.03Å; A785-F787 VanDerWaalsContact C-N 3.27Å; A785-F787 PolarHBondContact O-N 2.94Å; A785-G788 PolarHBondContact O-N 3.31Å; A785-L789 WeakPolarHBondContact O-CG 3.35Å; A785-L789 PolarHBondContact O-N 3.24Å; A785-L789 VanDerWaalsContact O-N 3.11Å
786S74.6Confident73.4Confident13 Ų1370.9 Ų70.99%0.09140%0.4CS..Hα-helixtrans-66-26.3178.165.50000113.9V782 S783 L784 R804V782-S786 WeakPolarHBondContact O-CB 3.43Å; V782-S786 PolarHBondContact O-N 3.25Å; V782-S786 PolarHBondContact O-OG 3.49Å; S783-S786 PolarHBondContact O-N 2.64Å; S783-S786 PolarHBondContact O-OG 3.4Å; L784-S786 VanDerWaalsContact C-N 3.3Å; L784-S786 PolarHBondContact O-N 3.43Å; S786-R804 PolarHBondContact OG-NE 3.2Å; S786-R804 PolarHBondContact OG-NH2 3.3Å
787F75.4Confident72.7Confident65 Ų6571.5 Ų71.529%0.28540%0.404SS..Hα-helixtrans-80-33.4172.2-67.7-62.5000112.9D740 I741 T744 S783 L784 A785D740-F787 HydrophobicContact CB-CZ 4.29Å; D740-F787 WeakPolarHBondContact OD2-CZ 3.25Å; I741-F787 HydrophobicContact CB-CZ 4.41Å; I741-F787 HydrophobicContact CD1-CE1 4.24Å; I741-F787 HydrophobicContact CG1-CD1 4.15Å; I741-F787 HydrophobicContact CG1-CE1 3.43Å; I741-F787 VanDerWaalsContact CG1-CE1 3.43Å; I741-F787 HydrophobicContact CG1-CE2 4.41Å; I741-F787 HydrophobicContact CG1-CZ 3.59Å; T744-F787 HydrophobicContact CG2-CE2 4.1Å; S783-F787 WeakPolarHBondContact O-CD2 3.3Å; S783-F787 PolarHBondContact O-N 3.09Å; L784-F787 PolarHBondContact O-N 3.39Å; A785-F787 VanDerWaalsContact C-N 3.27Å; A785-F787 PolarHBondContact O-N 2.94Å
788G72.6Confident71.7Confident65 Ų6575.7 Ų75.767%0.6742%0.421SS*.Hα-helixtrans-74.3-28.9-179.300000114L784 A785 K790L784-G788 PolarHBondContact O-N 3.11Å; A785-G788 PolarHBondContact O-N 3.31Å; G788-K790 PolarHBondContact O-N 2.89Å
789L70Confident71Confident85 Ų8576.1 Ų76.145%0.44542%0.422SS..  trans-92.666.2-178.7-63.9170.3000111.4A785 K791 V797 L800A785-L789 WeakPolarHBondContact O-CG 3.35Å; A785-L789 PolarHBondContact O-N 3.24Å; A785-L789 VanDerWaalsContact O-N 3.11Å; L789-K791 PolarHBondContact O-N 3.23Å; L789-V797 HydrophobicContact CB-CG2 4.12Å; L789-L800 HydrophobicContact CD1-CD1 3.83Å
790K59.6Low70.6Confident188 Ų18877.2 Ų77.282%0.81743%0.428SS*.  trans-71.3-0.3176.4-75.1-171.4176.1-173.90115G788G788-K790 PolarHBondContact O-N 2.89Å
791K56.5Low69.8Low182 Ų18282.1 Ų82.179%0.79145%0.445SS*.  trans-88.9110.1178.1-73.8-172.7176.1-175.50110L789 A793L789-K791 PolarHBondContact O-N 3.23Å; K791-A793 PolarHBondContact O-N 2.83Å
792E55.5Low69.3Low174 Ų17480.5 Ų80.581%0.81343%0.433SS*.THydrogen-bonded Turntrans-68.50.3-167.9-61.9-175.5137.700116
793A52.6Low69.2Low99 Ų9982.9 Ų82.982%0.81845%0.446SS*.THydrogen-bonded Turntrans-88.6-7-167.300000116.2K791K791-A793 PolarHBondContact O-N 2.83Å
794I58.5Low69.1Low97 Ų9784.3 Ų84.350%0.49745%0.45SS..  trans-108.1120.9-172.9-46.1179.5000110.6V796 V797I794-V796 HydrophobicContact CB-CB 4.47Å; I794-V796 HydrophobicContact CG2-CB 3.61Å; I794-V796 HydrophobicContact CG2-CG2 3.52Å; I794-V796 PolarHBondContact O-N 2.9Å; I794-V797 PolarHBondContact O-N 3.17Å
795S62.7Low68.8Low85 Ų8580 Ų8059%0.59443%0.428SS*.Hα-helixtrans-47.5-29.6172.356.50000113.4V797 K798 I799S795-V797 VanDerWaalsContact C-N 3.27Å; S795-V797 PolarHBondContact O-N 3.34Å; S795-K798 WeakPolarHBondContact O-CB 3.2Å; S795-K798 PolarHBondContact O-N 3.44Å; S795-K798 VanDerWaalsContact O-N 3.11Å; S795-I799 PolarHBondContact O-N 2.93Å
796V65.9Low68.8Low73 Ų7380.1 Ų80.144%0.44242%0.423SS..Hα-helixtrans-54.8-36.8173.9-179.60000112.5I794 K798 I799 L800I794-V796 HydrophobicContact CB-CB 4.47Å; I794-V796 HydrophobicContact CG2-CB 3.61Å; I794-V796 HydrophobicContact CG2-CG2 3.52Å; I794-V796 PolarHBondContact O-N 2.9Å; V796-K798 VanDerWaalsContact C-N 3.32Å; V796-K798 PolarHBondContact O-N 3.37Å; V796-I799 PolarHBondContact O-N 3.14Å; V796-L800 HydrophobicContact CG1-CD1 4.23Å; V796-L800 HydrophobicContact CG1-CG 4.29Å; V796-L800 WeakPolarHBondContact O-CG 3.41Å; V796-L800 PolarHBondContact O-N 3.36Å
797V66.7Low69.2Low15 Ų1579.7 Ų79.79%0.09142%0.419CS..Hα-helixtrans-66.4-35.6179.1-179.10000111.2L789 I794 S795 L800 R801L789-V797 HydrophobicContact CB-CG2 4.12Å; I794-V797 PolarHBondContact O-N 3.17Å; S795-V797 VanDerWaalsContact C-N 3.27Å; S795-V797 PolarHBondContact O-N 3.34Å; V797-L800 PolarHBondContact O-N 3.19Å; V797-R801 WeakPolarHBondContact O-CG 3.32Å; V797-R801 PolarHBondContact O-N 2.95Å
798K65.9Low69.6Low130 Ų13076.9 Ų76.957%0.56541%0.408SS*.Hα-helixtrans-61.3-45.4173.6-64.3-177.4177.8179.30110.4S795 V796 L800 R801 V802S795-K798 WeakPolarHBondContact O-CB 3.2Å; S795-K798 PolarHBondContact O-N 3.44Å; S795-K798 VanDerWaalsContact O-N 3.11Å; V796-K798 VanDerWaalsContact C-N 3.32Å; V796-K798 PolarHBondContact O-N 3.37Å; K798-L800 PolarHBondContact O-N 3.34Å; K798-R801 WeakPolarHBondContact O-CB 3.3Å; K798-R801 PolarHBondContact O-N 2.88Å; K798-V802 WeakPolarHBondContact O-CG2 3.47Å; K798-V802 PolarHBondContact O-N 3.1Å; K798-V802 VanDerWaalsContact O-N 3.16Å
799I71.6Confident70.1Confident102 Ų10275.6 Ų75.652%0.52339%0.386SS..Hα-helixtrans-62.7-42.2176.8-59.8170.9000111.5S795 V796 R801 V802 L803S795-I799 PolarHBondContact O-N 2.93Å; V796-I799 PolarHBondContact O-N 3.14Å; I799-R801 VanDerWaalsContact C-N 3.28Å; I799-R801 PolarHBondContact O-N 3.4Å; I799-V802 WeakPolarHBondContact O-CB 3.26Å; I799-V802 PolarHBondContact O-N 3.48Å; I799-L803 PolarHBondContact O-N 3Å; I799-L803 VanDerWaalsContact O-N 3.07Å
800L74.2Confident70.8Confident27 Ų2771.6 Ų71.614%0.14137%0.365CS..Hα-helixtrans-63.7-33.2177.6-69.7175.4000112.5V782 L789 V796 V797 K798 L803V782-L800 HydrophobicContact CG1-CD2 4.39Å; V782-L800 WeakPolarHBondContact CG1-O 3.28Å; L789-L800 HydrophobicContact CD1-CD1 3.83Å; V796-L800 HydrophobicContact CG1-CD1 4.23Å; V796-L800 HydrophobicContact CG1-CG 4.29Å; V796-L800 WeakPolarHBondContact O-CG 3.41Å; V796-L800 PolarHBondContact O-N 3.36Å; V797-L800 PolarHBondContact O-N 3.19Å; K798-L800 PolarHBondContact O-N 3.34Å; L800-L803 HydrophobicContact CD2-CD1 4.33Å; L800-L803 PolarHBondContact O-N 3.45Å
801R70.3Confident71.9Confident111 Ų11163.6 Ų63.642%0.41933%0.333SS..Hα-helixtrans-66.1-43.4172.8-70.5-179.2-172.1-1722.8111.2V797 K798 I799 L803 R804V797-R801 WeakPolarHBondContact O-CG 3.32Å; V797-R801 PolarHBondContact O-N 2.95Å; K798-R801 WeakPolarHBondContact O-CB 3.3Å; K798-R801 PolarHBondContact O-N 2.88Å; I799-R801 VanDerWaalsContact C-N 3.28Å; I799-R801 PolarHBondContact O-N 3.4Å; R801-L803 VanDerWaalsContact C-N 3.27Å; R801-L803 PolarHBondContact O-N 3.37Å; R801-R804 WeakPolarHBondContact O-CB 3.31Å; R801-R804 WeakPolarHBondContact O-CG 3.24Å; R801-R804 PolarHBondContact O-N 3.24Å
802V74.3Confident73.2Confident33 Ų3355.7 Ų55.720%0.230%0.299CS..Hα-helixtrans-56.9-41.8175.1176.90000111.3K798 I799 R804 V805 I1167 V1171K798-V802 WeakPolarHBondContact O-CG2 3.47Å; K798-V802 PolarHBondContact O-N 3.1Å; K798-V802 VanDerWaalsContact O-N 3.16Å; I799-V802 WeakPolarHBondContact O-CB 3.26Å; I799-V802 PolarHBondContact O-N 3.48Å; V802-R804 PolarHBondContact O-N 3.36Å; V802-V805 VanDerWaalsContact O-CB 3.26Å; V802-V805 WeakPolarHBondContact O-CB 3.49Å; V802-V805 WeakPolarHBondContact O-CG1 3.37Å; V802-V805 PolarHBondContact O-N 3.08Å; V802-I1167 HydrophobicContact CG1-CG1 4.2Å; V802-I1167 HydrophobicContact CG1-CG2 4.39Å; V802-V1171 HydrophobicContact CG2-CG2 4.43Å
803L79.1Confident74.2Confident63 Ų6349.2 Ų49.233%0.3327%0.271SS..G310 helixtrans-64-13.7178.3-70.3175.3000114.5V782 I799 L800 R801 V805 L806V782-L803 HydrophobicContact CG1-CB 3.71Å; V782-L803 HydrophobicContact CG2-CB 4.34Å; V782-L803 HydrophobicContact CG2-CD1 4.2Å; I799-L803 PolarHBondContact O-N 3Å; I799-L803 VanDerWaalsContact O-N 3.07Å; L800-L803 HydrophobicContact CD2-CD1 4.33Å; L800-L803 PolarHBondContact O-N 3.45Å; R801-L803 VanDerWaalsContact C-N 3.27Å; R801-L803 PolarHBondContact O-N 3.37Å; L803-V805 PolarHBondContact O-N 2.97Å; L803-L806 HydrophobicContact CD2-CD1 3.94Å; L803-L806 WeakPolarHBondContact O-CB 3.22Å; L803-L806 WeakPolarHBondContact O-CG 3.39Å; L803-L806 PolarHBondContact O-N 3.49Å
804R78.5Confident75.6Confident32 Ų3246 Ų4612%0.12124%0.237CC..G310 helixtrans-65.5-21.7171.9-61.7173.3174.5-163.7-9.3112.2D740 S786 R801 V802 L806 R807D740-R804 IonicContact OD2-CZ 3.6Å; D740-R804 IonicContact OD2-NE 3.23Å; D740-R804 IonicContact OD2-NH1 3.99Å; D740-R804 PolarHBondContact OD2-NH1 3.45Å; D740-R804 IonicContact OD2-NH2 3.7Å; D740-R804 PolarHBondContact OD2-NH2 3.11Å; S786-R804 PolarHBondContact OG-NE 3.2Å; S786-R804 PolarHBondContact OG-NH2 3.3Å; R801-R804 WeakPolarHBondContact O-CB 3.31Å; R801-R804 WeakPolarHBondContact O-CG 3.24Å; R801-R804 PolarHBondContact O-N 3.24Å; V802-R804 PolarHBondContact O-N 3.36Å; R804-L806 PolarHBondContact O-N 3.48Å; R804-R807 VanDerWaalsContact O-CG 3.28Å; R804-R807 WeakPolarHBondContact O-CG 3.33Å; R804-R807 PolarHBondContact O-N 3.32Å
805V78.6Confident76.7Confident3 Ų342.9 Ų42.92%0.01823%0.226CC..G310 helixtrans-60.6-15.1174.379.80000113.4V802 L803 R807 P808 I1163 V1166 I1167V802-V805 VanDerWaalsContact O-CB 3.26Å; V802-V805 WeakPolarHBondContact O-CB 3.49Å; V802-V805 WeakPolarHBondContact O-CG1 3.37Å; V802-V805 PolarHBondContact O-N 3.08Å; L803-V805 PolarHBondContact O-N 2.97Å; V805-R807 PolarHBondContact O-N 3.35Å; V805-P808 WeakPolarHBondContact O-CD 3.22Å; V805-I1163 HydrophobicContact CG1-CG2 4.3Å; V805-I1163 HydrophobicContact CG2-CG2 4.18Å; V805-I1163 WeakPolarHBondContact CG2-O 3.4Å; V805-V1166 HydrophobicContact CB-CG1 4.24Å; V805-V1166 HydrophobicContact CG2-CB 3.59Å; V805-V1166 HydrophobicContact CG2-CG1 3.58Å; V805-V1166 HydrophobicContact CG2-CG2 4.49Å; V805-I1167 HydrophobicContact CB-CG1 4.28Å; V805-I1167 HydrophobicContact CG1-CD1 3.93Å; V805-I1167 HydrophobicContact CG1-CG1 3.73Å; V805-I1167 HydrophobicContact CG2-CG1 4.14Å
806L82.6Confident77.6Confident40 Ų4047.2 Ų47.221%0.20923%0.234CC..G310 helixtrans-75.4-4.9178.1-59177.7000113.2V779 L803 R804 P808 L809V779-L806 HydrophobicContact CG2-CB 3.79Å; L803-L806 HydrophobicContact CD2-CD1 3.94Å; L803-L806 WeakPolarHBondContact O-CB 3.22Å; L803-L806 WeakPolarHBondContact O-CG 3.39Å; L803-L806 PolarHBondContact O-N 3.49Å; R804-L806 PolarHBondContact O-N 3.48Å; L806-P808 VanDerWaalsContact C-CD 3.44Å; L806-L809 HydrophobicContact CB-CD1 4.17Å; L806-L809 HydrophobicContact CD2-CD1 3.52Å; L806-L809 HydrophobicContact CG-CD1 4.42Å; L806-L809 VanDerWaalsContact O-CB 3.31Å; L806-L809 WeakPolarHBondContact O-CB 3.22Å; L806-L809 PolarHBondContact O-N 3.04Å; L806-L809 VanDerWaalsContact O-N 3.17Å
807R83.1Confident78.4Confident4 Ų444.5 Ų44.52%0.01522%0.221CC..G310 helixtrans-54.8-43.5177.2-75.8177.3-171.8-173.66.2115.5S716 L720 D740 T744 V779 S783 R804 V805 L809 R810S716-R807 WeakPolarHBondContact OG-CD 3.47Å; S716-R807 PolarHBondContact OG-NH1 3.03Å; L720-R807 HydrophobicContact CD1-CB 4.5Å; D740-R807 IonicContact OD1-CZ 3.19Å; D740-R807 IonicContact OD1-NH1 2.77Å; D740-R807 PolarHBondContact OD1-NH1 2.86Å; D740-R807 IonicContact OD1-NH2 3.91Å; D740-R807 PolarHBondContact OD1-NH2 3.38Å; D740-R807 IonicContact OD2-NH2 2.76Å; T744-R807 PolarHBondContact OG1-NH2 3.44Å; V779-R807 HydrophobicContact CG1-CB 4.49Å; V779-R807 HydrophobicContact CG1-CG 3.57Å; S783-R807 PolarHBondContact OG-NH2 2.83Å; S783-R807 VanDerWaalsContact OG-NH2 3.1Å; R804-R807 VanDerWaalsContact O-CG 3.28Å; R804-R807 WeakPolarHBondContact O-CG 3.33Å; R804-R807 PolarHBondContact O-N 3.32Å; V805-R807 PolarHBondContact O-N 3.35Å; R807-L809 PolarHBondContact O-N 3.22Å; R807-R810 VanDerWaalsContact O-CB 3.26Å; R807-R810 WeakPolarHBondContact O-CB 3.17Å; R807-R810 VanDerWaalsContact O-CG 3.25Å; R807-R810 WeakPolarHBondContact O-CG 3.36Å; R807-R810 PolarHBondContact O-N 3.21Å
808P82.8Confident79.1Confident7 Ų744 Ų445%0.04522%0.217CC..G310 helixtrans-61.8-29.2177.5-19.232.5000112.7V805 L806 R810 A811 L1159 F1162V805-P808 WeakPolarHBondContact O-CD 3.22Å; L806-P808 VanDerWaalsContact C-CD 3.44Å; P808-R810 PolarHBondContact O-N 2.99Å; P808-R810 VanDerWaalsContact O-N 3.09Å; P808-A811 WeakPolarHBondContact O-CB 3.09Å; P808-A811 PolarHBondContact O-N 2.94Å; P808-L1159 HydrophobicContact CB-CD1 3.53Å; P808-F1162 HydrophobicContact CB-CD1 4.28Å; P808-F1162 HydrophobicContact CB-CE1 4.33Å; P808-F1162 HydrophobicContact CG-CD1 3.7Å; P808-F1162 HydrophobicContact CG-CE1 3.38Å; P808-F1162 HydrophobicContact CG-CZ 4.45Å
809L83.1Confident80Confident38 Ų3840.8 Ų40.820%0.19920%0.204CC..G310 helixtrans-61.1-22.2178.1-65.5172.8000112.6L775 L806 R807 A811 I812 L1159 I1163L775-L809 HydrophobicContact CD1-CB 4.1Å; L775-L809 HydrophobicContact CD1-CD1 4.17Å; L775-L809 HydrophobicContact CD2-CB 4.02Å; L806-L809 HydrophobicContact CB-CD1 4.17Å; L806-L809 HydrophobicContact CD2-CD1 3.52Å; L806-L809 HydrophobicContact CG-CD1 4.42Å; L806-L809 VanDerWaalsContact O-CB 3.31Å; L806-L809 WeakPolarHBondContact O-CB 3.22Å; L806-L809 PolarHBondContact O-N 3.04Å; L806-L809 VanDerWaalsContact O-N 3.17Å; R807-L809 PolarHBondContact O-N 3.22Å; L809-A811 PolarHBondContact O-N 3.2Å; L809-I812 HydrophobicContact CB-CD1 4.35Å; L809-I812 HydrophobicContact CD2-CD1 3.63Å; L809-I812 VanDerWaalsContact O-CB 3.28Å; L809-I812 WeakPolarHBondContact O-CB 3.29Å; L809-I812 WeakPolarHBondContact O-CG1 3.35Å; L809-I812 PolarHBondContact O-N 3.19Å; L809-L1159 HydrophobicContact CD2-CD2 4.33Å; L809-I1163 HydrophobicContact CD1-CD1 4.43Å; L809-I1163 HydrophobicContact CD2-CD1 3.51Å; L809-I1163 HydrophobicContact CG-CD1 3.8Å
810R84.8Confident80.4Confident1 Ų143.5 Ų43.50%0.00421%0.207CC..Hα-helixtrans-63.6-22.5174.4-56-177.164.9-153.8-4.6112.5I713 F747 E750 L775 D776 R807 P808 I812I713-R810 HydrophobicContact CD1-CB 3.92Å; F747-R810 VanDerWaalsContact CD2-NH1 3.28Å; E750-R810 IonicContact OE1-NH2 2.67Å; E750-R810 IonicContact OE2-CZ 3.45Å; E750-R810 IonicContact OE2-NH2 3.62Å; E750-R810 PolarHBondContact OE2-NH2 3.14Å; L775-R810 HydrophobicContact CD2-CG 4.08Å; D776-R810 WeakPolarHBondContact OD1-CB 3.5Å; D776-R810 VanDerWaalsContact OD1-CG 3.23Å; D776-R810 WeakPolarHBondContact OD1-CG 3.38Å; D776-R810 IonicContact OD1-CZ 3.98Å; D776-R810 IonicContact OD1-NE 3.41Å; D776-R810 PolarHBondContact OD1-NE 3.01Å; D776-R810 IonicContact OD1-NH2 2.72Å; R807-R810 VanDerWaalsContact O-CB 3.26Å; R807-R810 WeakPolarHBondContact O-CB 3.17Å; R807-R810 VanDerWaalsContact O-CG 3.25Å; R807-R810 WeakPolarHBondContact O-CG 3.36Å; R807-R810 PolarHBondContact O-N 3.21Å; P808-R810 PolarHBondContact O-N 2.99Å; P808-R810 VanDerWaalsContact O-N 3.09Å; R810-I812 VanDerWaalsContact C-N 3.27Å; R810-I812 PolarHBondContact O-N 2.97Å
811A82.7Confident80.6Confident19 Ų1943.5 Ų43.516%0.15721%0.208CC..Hα-helixtrans-65-29.7173.400000112.4L710 P808 L809 N813 R814 A815L710-A811 HydrophobicContact CD1-CB 4.41Å; P808-A811 WeakPolarHBondContact O-CB 3.09Å; P808-A811 PolarHBondContact O-N 2.94Å; L809-A811 PolarHBondContact O-N 3.2Å; A811-N813 VanDerWaalsContact C-N 3.32Å; A811-N813 PolarHBondContact O-N 3.39Å; A811-R814 PolarHBondContact O-N 3.44Å; A811-A815 PolarHBondContact O-N 2.87Å
812I83Confident81.2Confident16 Ų1639.5 Ų39.58%0.08220%0.196CC..Hα-helixtrans-58.8-42.5179.6-59.5171.8000111.1F772 L809 R810 R814 L818 V822 L1159F772-I812 HydrophobicContact CE1-CG2 4.04Å; L809-I812 HydrophobicContact CB-CD1 4.35Å; L809-I812 HydrophobicContact CD2-CD1 3.63Å; L809-I812 VanDerWaalsContact O-CB 3.28Å; L809-I812 WeakPolarHBondContact O-CB 3.29Å; L809-I812 WeakPolarHBondContact O-CG1 3.35Å; L809-I812 PolarHBondContact O-N 3.19Å; R810-I812 VanDerWaalsContact C-N 3.27Å; R810-I812 PolarHBondContact O-N 2.97Å; I812-R814 PolarHBondContact O-N 3.29Å; I812-L818 HydrophobicContact CB-CD2 4.26Å; I812-L818 HydrophobicContact CB-CG 4.42Å; I812-L818 HydrophobicContact CG1-CD2 3.63Å; I812-L818 HydrophobicContact CG1-CG 4.01Å; I812-L818 HydrophobicContact CG2-CG 4.36Å; I812-V822 HydrophobicContact CG2-CG2 4.14Å; I812-L1159 HydrophobicContact CD1-CD2 4.02Å; I812-L1159 HydrophobicContact CG1-CD2 3.99Å
813N77.7Confident81.5Confident39 Ų3941.6 Ų41.621%0.20920%0.204CC..Hα-helixtrans-69.1-24-180-163.816.1000112.4F772 N773 A811F772-N813 HydrophobicContact CB-CB 4.06Å; N773-N813 PolarHBondContact OD1-ND2 2.92Å; A811-N813 VanDerWaalsContact C-N 3.32Å; A811-N813 PolarHBondContact O-N 3.39Å
814R80.8Confident81.4Confident30 Ų3041 Ų4111%0.11321%0.205CC..Hα-helixtrans-91-34.5-175.3-66.7-178.1170.4-94.9-9.5112.9K706 E750 A811 I812K706-R814 WeakPolarHBondContact CE-O 3.48Å; K706-R814 PolarHBondContact NZ-O 2.96Å; K706-R814 PolarHBondContact O-NH1 3.3Å; K706-R814 VanDerWaalsContact O-NH1 3.08Å; E750-R814 IonicContact OE1-CZ 3.86Å; E750-R814 IonicContact OE1-NH2 2.95Å; E750-R814 PolarHBondContact OE1-NH2 3.47Å; E750-R814 IonicContact OE2-NH2 2.69Å; A811-R814 PolarHBondContact O-N 3.44Å; I812-R814 PolarHBondContact O-N 3.29Å
815A81.4Confident81.4Confident32 Ų3240.9 Ų40.926%0.26421%0.207SC..  trans-88.4104.6176.800000110.6A811 G817 L818 K819A811-A815 PolarHBondContact O-N 2.87Å; A815-G817 PolarHBondContact O-N 3.44Å; A815-L818 HydrophobicContact CB-CB 3.87Å; A815-L818 PolarHBondContact O-N 3.34Å; A815-K819 PolarHBondContact O-N 3.39Å
816K82.5Confident81.6Confident177 Ų17745.7 Ų45.777%0.7723%0.232SC*.Hα-helixtrans-55.2-38.4-179.7-66.1-175.9-179.8-179.20112.2R820K816-R820 PolarHBondContact O-N 2.99Å; K816-R820 VanDerWaalsContact O-N 3.11Å
817G82Confident81.4Confident16 Ų1647.2 Ų47.217%0.16524%0.242CC..Hα-helixtrans-64.7-49.6177.400000112.8A815 K819 R820 V821A815-G817 PolarHBondContact O-N 3.44Å; G817-K819 VanDerWaalsContact C-N 3.3Å; G817-K819 PolarHBondContact O-N 3.47Å; G817-R820 PolarHBondContact O-N 3.39Å; G817-R820 VanDerWaalsContact O-N 3.09Å; G817-V821 WeakPolarHBondContact O-CG2 3.31Å; G817-V821 PolarHBondContact O-N 3.38Å
818L82.9Confident81.1Confident3 Ų347.2 Ų47.22%0.01624%0.243CC..Hα-helixtrans-62-39.4178.6-168.557.4000111.7I812 A815 R820 V821 V822 L1155 L1156 L1159I812-L818 HydrophobicContact CB-CD2 4.26Å; I812-L818 HydrophobicContact CB-CG 4.42Å; I812-L818 HydrophobicContact CG1-CD2 3.63Å; I812-L818 HydrophobicContact CG1-CG 4.01Å; I812-L818 HydrophobicContact CG2-CG 4.36Å; A815-L818 HydrophobicContact CB-CB 3.87Å; A815-L818 PolarHBondContact O-N 3.34Å; L818-R820 PolarHBondContact O-N 2.99Å; L818-V821 PolarHBondContact O-N 3.03Å; L818-V822 WeakPolarHBondContact O-CG2 3.4Å; L818-V822 PolarHBondContact O-N 3.48Å; L818-L1155 HydrophobicContact CD2-CD2 4.44Å; L818-L1156 HydrophobicContact CD1-CB 3.87Å; L818-L1156 HydrophobicContact CD1-CD1 4.02Å; L818-L1156 HydrophobicContact CD1-CG 4.48Å; L818-L1159 HydrophobicContact CD2-CD2 4.19Å
819K83.6Confident80.9Confident63 Ų6350.6 Ų50.627%0.27426%0.263SS..Hα-helixtrans-59.1-44.2173.1-173.8177-179.61750112.4F772 A815 G817 Q823F772-K819 HydrophobicContact CE2-CD 4.47Å; F772-K819 HydrophobicContact CE2-CG 4.41Å; F772-K819 HydrophobicContact CZ-CG 4.26Å; A815-K819 PolarHBondContact O-N 3.39Å; G817-K819 VanDerWaalsContact C-N 3.3Å; G817-K819 PolarHBondContact O-N 3.47Å; K819-Q823 WeakPolarHBondContact O-CG 3.38Å; K819-Q823 PolarHBondContact O-N 3.21Å; K819-Q823 VanDerWaalsContact O-N 3.08Å
820R79.3Confident80.8Confident160 Ų16057.2 Ų57.260%0.60429%0.291SS*.Hα-helixtrans-65.2-43178.8-174.561.8176.2-174.11.8111.1K816 G817 L818 Q823 C824K816-R820 PolarHBondContact O-N 2.99Å; K816-R820 VanDerWaalsContact O-N 3.11Å; G817-R820 PolarHBondContact O-N 3.39Å; G817-R820 VanDerWaalsContact O-N 3.09Å; L818-R820 PolarHBondContact O-N 2.99Å; R820-Q823 WeakPolarHBondContact O-CB 3.48Å; R820-Q823 PolarHBondContact O-N 3.47Å; R820-C824 PolarHBondContact O-N 3.2Å; R820-C824 PolarHBondContact O-SG 2.93Å
821V79.2Confident80.3Confident26 Ų2659.5 Ų59.516%0.15831%0.305CS..Hα-helixtrans-61.1-47.8177.3175.70000111.4G817 L818 Q823 C824 V825 V1153 L1156G817-V821 WeakPolarHBondContact O-CG2 3.31Å; G817-V821 PolarHBondContact O-N 3.38Å; L818-V821 PolarHBondContact O-N 3.03Å; V821-Q823 VanDerWaalsContact C-N 3.27Å; V821-Q823 PolarHBondContact O-N 3.13Å; V821-C824 WeakPolarHBondContact O-CB 3.25Å; V821-C824 PolarHBondContact O-N 3.12Å; V821-C824 VanDerWaalsContact O-N 3.1Å; V821-V825 WeakPolarHBondContact O-CG2 3.36Å; V821-V825 PolarHBondContact O-N 3.29Å; V821-V1153 HydrophobicContact CG1-CG2 4.03Å; V821-V1153 HydrophobicContact CG2-CG2 4.27Å; V821-L1156 HydrophobicContact CG1-CD2 3.94Å
822V82.2Confident80Confident27 Ų2758.9 Ų58.916%0.16430%0.299CS..Hα-helixtrans-60.7-38177.4172.60000111.5I812 L818 V825 I826 L1156I812-V822 HydrophobicContact CG2-CG2 4.14Å; L818-V822 WeakPolarHBondContact O-CG2 3.4Å; L818-V822 PolarHBondContact O-N 3.48Å; V822-V825 PolarHBondContact O-N 3.09Å; V822-I826 HydrophobicContact CG1-CD1 4Å; V822-I826 VanDerWaalsContact O-CG1 3.3Å; V822-I826 WeakPolarHBondContact O-CG1 3.31Å; V822-I826 PolarHBondContact O-N 3.2Å; V822-L1156 HydrophobicContact CG2-CD1 3.97Å; V822-L1156 HydrophobicContact CG2-CD2 4.34Å
823Q81.2Confident79.8Confident78 Ų7859.5 Ų59.536%0.36431%0.309SS..Hα-helixtrans-63.6-43.4173.6-74.1176.5-24.800112.2K819 R820 V821 V825 I826 V827K819-Q823 WeakPolarHBondContact O-CG 3.38Å; K819-Q823 PolarHBondContact O-N 3.21Å; K819-Q823 VanDerWaalsContact O-N 3.08Å; R820-Q823 WeakPolarHBondContact O-CB 3.48Å; R820-Q823 PolarHBondContact O-N 3.47Å; V821-Q823 VanDerWaalsContact C-N 3.27Å; V821-Q823 PolarHBondContact O-N 3.13Å; Q823-V825 VanDerWaalsContact C-N 3.33Å; Q823-V825 PolarHBondContact O-N 3.08Å; Q823-I826 PolarHBondContact O-N 3.4Å; Q823-V827 WeakPolarHBondContact O-CG2 3.46Å; Q823-V827 PolarHBondContact O-N 3.29Å
824C77.3Confident79.7Confident51 Ų5161.6 Ų61.635%0.34532%0.32SS..Hα-helixtrans-59.9-43.1174.9-630000111.4R820 V821 I826 V827 A828R820-C824 PolarHBondContact O-N 3.2Å; R820-C824 PolarHBondContact O-SG 2.93Å; V821-C824 WeakPolarHBondContact O-CB 3.25Å; V821-C824 PolarHBondContact O-N 3.12Å; V821-C824 VanDerWaalsContact O-N 3.1Å; C824-I826 PolarHBondContact O-N 3.15Å; C824-V827 PolarHBondContact O-N 3.04Å; C824-A828 PolarHBondContact O-N 3.06Å
825V79.1Confident79.6Confident28 Ų2860.8 Ų60.817%0.1732%0.318CS..Hα-helixtrans-61.3-42.9175.8175.10000111.2V821 V822 Q823 V827 A828 V829 L1156 L1259V821-V825 WeakPolarHBondContact O-CG2 3.36Å; V821-V825 PolarHBondContact O-N 3.29Å; V822-V825 PolarHBondContact O-N 3.09Å; Q823-V825 VanDerWaalsContact C-N 3.33Å; Q823-V825 PolarHBondContact O-N 3.08Å; V825-V827 VanDerWaalsContact C-N 3.33Å; V825-V827 PolarHBondContact O-N 3.45Å; V825-A828 PolarHBondContact O-N 3.3Å; V825-V829 HydrophobicContact CG1-CG2 4.29Å; V825-V829 VanDerWaalsContact O-CG2 3.31Å; V825-V829 WeakPolarHBondContact O-CG2 3.36Å; V825-V829 PolarHBondContact O-N 2.9Å; V825-L1156 HydrophobicContact CG2-CD2 4.41Å; V825-L1259 HydrophobicContact CG2-CD2 4.31Å
826I82.6Confident79.5Confident105 Ų10563.5 Ų63.554%0.53833%0.328SS..Hα-helixtrans-63.1-40.2177.3-68.8165.1000111.5V822 Q823 C824 V829 K830V822-I826 HydrophobicContact CG1-CD1 4Å; V822-I826 VanDerWaalsContact O-CG1 3.3Å; V822-I826 WeakPolarHBondContact O-CG1 3.31Å; V822-I826 PolarHBondContact O-N 3.2Å; Q823-I826 PolarHBondContact O-N 3.4Å; C824-I826 PolarHBondContact O-N 3.15Å; I826-V829 PolarHBondContact O-N 3.19Å; I826-K830 PolarHBondContact O-N 2.88Å
827V78.7Confident79.5Confident71 Ų7158.6 Ų58.643%0.4331%0.31SS..Hα-helixtrans-63.4-46.3175.8172.70000110.4Q823 C824 V825 K830 T831Q823-V827 WeakPolarHBondContact O-CG2 3.46Å; Q823-V827 PolarHBondContact O-N 3.29Å; C824-V827 PolarHBondContact O-N 3.04Å; V825-V827 VanDerWaalsContact C-N 3.33Å; V825-V827 PolarHBondContact O-N 3.45Å; V827-K830 WeakPolarHBondContact O-CB 3.11Å; V827-K830 PolarHBondContact O-N 3.14Å; V827-T831 PolarHBondContact O-N 2.84Å; V827-T831 VanDerWaalsContact O-N 3.14Å
828A76.2Confident79.3Confident4 Ų458.4 Ų58.43%0.03331%0.305CS..Hα-helixtrans-60.8-45.4176.200000112.2C824 V825 K830 T831 I832C824-A828 PolarHBondContact O-N 3.06Å; V825-A828 PolarHBondContact O-N 3.3Å; A828-K830 VanDerWaalsContact C-N 3.25Å; A828-K830 PolarHBondContact O-N 3.47Å; A828-T831 PolarHBondContact O-N 3.19Å; A828-T831 PolarHBondContact O-OG1 3.39Å; A828-I832 HydrophobicContact CB-CD1 4.28Å; A828-I832 WeakPolarHBondContact O-CB 3.2Å; A828-I832 WeakPolarHBondContact O-CD1 3.27Å; A828-I832 WeakPolarHBondContact O-CG1 3.46Å; A828-I832 PolarHBondContact O-N 2.93Å
829V78.8Confident79.2Confident78 Ų7859.5 Ų59.547%0.47331%0.312SS..Hα-helixtrans-60.3-37.1176.81710000111.3V825 I826 I832 G833V825-V829 HydrophobicContact CG1-CG2 4.29Å; V825-V829 VanDerWaalsContact O-CG2 3.31Å; V825-V829 WeakPolarHBondContact O-CG2 3.36Å; V825-V829 PolarHBondContact O-N 2.9Å; I826-V829 PolarHBondContact O-N 3.19Å; V829-I832 PolarHBondContact O-N 2.66Å; V829-G833 PolarHBondContact O-N 3.14Å
830K80.5Confident79.2Confident177 Ų17759.2 Ų59.277%0.7732%0.318SS*.Hα-helixtrans-66.2-39.6177.7-174.4178.9177.1-176.90112.4I826 V827 A828I826-K830 PolarHBondContact O-N 2.88Å; V827-K830 WeakPolarHBondContact O-CB 3.11Å; V827-K830 PolarHBondContact O-N 3.14Å; A828-K830 VanDerWaalsContact C-N 3.25Å; A828-K830 PolarHBondContact O-N 3.47Å
831T73.5Confident79.2Confident49 Ų4953.8 Ų53.830%0.30130%0.3SS..Hα-helixtrans-72.7-38.8178.957.10000111V827 A828 G833 F967V827-T831 PolarHBondContact O-N 2.84Å; V827-T831 VanDerWaalsContact O-N 3.14Å; A828-T831 PolarHBondContact O-N 3.19Å; A828-T831 PolarHBondContact O-OG1 3.39Å; T831-G833 VanDerWaalsContact C-N 3.31Å; T831-G833 PolarHBondContact O-N 3.03Å; T831-F967 VanDerWaalsContact C-CE1 3.41Å; T831-F967 VanDerWaalsContact CB-CE1 3.47Å; T831-F967 WeakPolarHBondContact O-CE1 3.27Å; T831-F967 WeakPolarHBondContact OG1-CE1 3.25Å
832I78.1Confident79.4Confident6 Ų654 Ų543%0.03130%0.3CS..Hα-helixtrans-73.3-22.1178.8-62.1159.5000112.8A828 V829 N834 I835 L836 F964 F967 V968A828-I832 HydrophobicContact CB-CD1 4.28Å; A828-I832 WeakPolarHBondContact O-CB 3.2Å; A828-I832 WeakPolarHBondContact O-CD1 3.27Å; A828-I832 WeakPolarHBondContact O-CG1 3.46Å; A828-I832 PolarHBondContact O-N 2.93Å; V829-I832 PolarHBondContact O-N 2.66Å; I832-N834 PolarHBondContact O-N 2.95Å; I832-I835 WeakPolarHBondContact O-CA 3.35Å; I832-I835 PolarHBondContact O-N 2.83Å; I832-L836 PolarHBondContact O-N 2.95Å; I832-F964 HydrophobicContact CD1-CE2 4.36Å; I832-F964 HydrophobicContact CD1-CZ 4.32Å; I832-F964 HydrophobicContact CG2-CD2 3.4Å; I832-F964 HydrophobicContact CG2-CE2 3.26Å; I832-F964 HydrophobicContact CG2-CG 4.5Å; I832-F964 HydrophobicContact CG2-CZ 4.24Å; I832-F967 HydrophobicContact CG1-CD1 3.74Å; I832-F967 HydrophobicContact CG1-CE1 4.11Å; I832-V968 HydrophobicContact CD1-CG2 3.53Å; I832-V968 HydrophobicContact CG1-CG2 4.29Å
833G77.7Confident79.7Confident29 Ų2954.1 Ų54.130%0.29930%0.299SS..Hα-helixtrans-50.1-35.9-174.400000114.5V829 T831 L837V829-G833 PolarHBondContact O-N 3.14Å; T831-G833 VanDerWaalsContact C-N 3.31Å; T831-G833 PolarHBondContact O-N 3.03Å; G833-L837 VanDerWaalsContact O-CB 3.27Å; G833-L837 WeakPolarHBondContact O-CB 3.26Å; G833-L837 PolarHBondContact O-N 3.41Å
834N75.8Confident80Confident83 Ų8353.3 Ų53.344%0.44429%0.294SS..Hα-helixtrans-64.3-43.7175.1-70.4-23.4000112.2I832 L837 V838I832-N834 PolarHBondContact O-N 2.95Å; N834-L837 WeakPolarHBondContact O-CB 3.31Å; N834-L837 PolarHBondContact O-N 3.42Å; N834-V838 VanDerWaalsContact O-CG2 3.3Å; N834-V838 WeakPolarHBondContact O-CG2 3.39Å; N834-V838 PolarHBondContact O-N 2.89Å; N834-V838 VanDerWaalsContact O-N 3.15Å
835I78.8Confident80.3Confident13 Ų1351.6 Ų51.67%0.06728%0.281CS..Hα-helixtrans-69.7-45.1179.1-62167000110.1L482 I832 L837 V838 T839 I963 F967L482-I835 HydrophobicContact CD1-CG1 4.03Å; I832-I835 WeakPolarHBondContact O-CA 3.35Å; I832-I835 PolarHBondContact O-N 2.83Å; I835-L837 PolarHBondContact O-N 3.23Å; I835-V838 WeakPolarHBondContact O-CA 3.41Å; I835-V838 WeakPolarHBondContact O-CB 3.45Å; I835-V838 PolarHBondContact O-N 3.42Å; I835-T839 PolarHBondContact O-N 2.77Å; I835-T839 PolarHBondContact O-OG1 2.9Å; I835-I963 HydrophobicContact CD1-CG2 4.18Å; I835-I963 HydrophobicContact CG2-CG2 4.19Å; I835-F967 HydrophobicContact CD1-CB 3.63Å; I835-F967 HydrophobicContact CD1-CD1 3.99Å; I835-F967 HydrophobicContact CD1-CD2 3.79Å; I835-F967 HydrophobicContact CD1-CE2 4.44Å; I835-F967 HydrophobicContact CD1-CG 3.52Å
836L80.3Confident80.8Confident90 Ų9051.6 Ų51.647%0.47128%0.279SS..Hα-helixtrans-55.7-38.5177.1-176.767.8000111.4I832 T839 S840I832-L836 PolarHBondContact O-N 2.95Å; L836-T839 PolarHBondContact O-N 3.2Å; L836-S840 WeakPolarHBondContact O-CB 3.04Å; L836-S840 PolarHBondContact O-N 3.49Å; L836-S840 PolarHBondContact O-OG 3.3Å
837L80.6Confident81.2Confident74 Ų7446.6 Ų46.639%0.38725%0.254SS..Hα-helixtrans-66.6-42.6175.8-170.662.1000112W476 G833 N834 I835 S840 M841W476-L837 HydrophobicContact CH2-CD2 3.11Å; W476-L837 HydrophobicContact CH2-CG 3.83Å; W476-L837 HydrophobicContact CZ2-CD2 3.51Å; W476-L837 HydrophobicContact CZ3-CD2 4.04Å; W476-L837 HydrophobicContact CZ3-CG 4.36Å; G833-L837 VanDerWaalsContact O-CB 3.27Å; G833-L837 WeakPolarHBondContact O-CB 3.26Å; G833-L837 PolarHBondContact O-N 3.41Å; N834-L837 WeakPolarHBondContact O-CB 3.31Å; N834-L837 PolarHBondContact O-N 3.42Å; I835-L837 PolarHBondContact O-N 3.23Å; L837-S840 PolarHBondContact O-N 3.22Å; L837-M841 VanDerWaalsContact O-CG 3.31Å; L837-M841 WeakPolarHBondContact O-CG 3.24Å; L837-M841 PolarHBondContact O-N 3.05Å
838V78.5Confident81.6Confident11 Ų1143.3 Ų43.37%0.06723%0.233CC..Hα-helixtrans-61.5-47173.4-179.30000111.5L479 L482 N834 I835 S840 M841 L842L479-V838 HydrophobicContact CD1-CB 4.23Å; L479-V838 HydrophobicContact CD1-CG1 3.72Å; L479-V838 HydrophobicContact CD1-CG2 3.52Å; L482-V838 HydrophobicContact CD1-CG2 4.07Å; L482-V838 HydrophobicContact CD2-CG1 4.26Å; N834-V838 VanDerWaalsContact O-CG2 3.3Å; N834-V838 WeakPolarHBondContact O-CG2 3.39Å; N834-V838 PolarHBondContact O-N 2.89Å; N834-V838 VanDerWaalsContact O-N 3.15Å; I835-V838 WeakPolarHBondContact O-CA 3.41Å; I835-V838 WeakPolarHBondContact O-CB 3.45Å; I835-V838 PolarHBondContact O-N 3.42Å; V838-S840 VanDerWaalsContact C-N 3.33Å; V838-S840 PolarHBondContact O-N 3.04Å; V838-M841 WeakPolarHBondContact O-CB 3.3Å; V838-M841 PolarHBondContact O-N 2.99Å; V838-L842 HydrophobicContact CG1-CD1 4.1Å; V838-L842 PolarHBondContact O-N 3.35Å
839T81.2Confident82.1Confident26 Ų2645.2 Ų45.216%0.1624%0.242CC..Hα-helixtrans-61-43.7177.9-53.90000111.1I835 L836 M841 L842 Q843 I956 M960I835-T839 PolarHBondContact O-N 2.77Å; I835-T839 PolarHBondContact O-OG1 2.9Å; L836-T839 PolarHBondContact O-N 3.2Å; T839-M841 VanDerWaalsContact C-N 3.33Å; T839-M841 PolarHBondContact O-N 3.32Å; T839-L842 PolarHBondContact O-N 3.11Å; T839-Q843 WeakPolarHBondContact O-CB 3.35Å; T839-Q843 PolarHBondContact O-N 2.9Å; T839-I956 HydrophobicContact CG2-CD1 4.45Å; T839-I956 HydrophobicContact CG2-CG2 4.44Å; T839-M960 HydrophobicContact CG2-CB 3.95Å; T839-M960 HydrophobicContact CG2-CG 4.41Å
840S83Confident82.6Confident58 Ų5841.5 Ų41.541%0.40622%0.22SC..Hα-helixtrans-62.2-39.8176.5-58.10000111.8L836 L837 V838 F844L836-S840 WeakPolarHBondContact O-CB 3.04Å; L836-S840 PolarHBondContact O-N 3.49Å; L836-S840 PolarHBondContact O-OG 3.3Å; L837-S840 PolarHBondContact O-N 3.22Å; V838-S840 VanDerWaalsContact C-N 3.33Å; V838-S840 PolarHBondContact O-N 3.04Å; S840-F844 VanDerWaalsContact O-CB 3.25Å; S840-F844 WeakPolarHBondContact O-CB 3.45Å; S840-F844 PolarHBondContact O-N 3.09Å
841M80.1Confident83Confident46 Ų4633.1 Ų33.123%0.22718%0.184CC..Hα-helixtrans-64.2-43.1174.6-74.5-176.875.200112.1I469 I472 W476 L837 V838 T839 F844 M845I469-M841 HydrophobicContact CG2-CE 4.21Å; I472-M841 HydrophobicContact CD1-CE 3.95Å; I472-M841 HydrophobicContact CG2-CE 4.4Å; W476-M841 HydrophobicContact CZ3-SD 3.82Å; L837-M841 VanDerWaalsContact O-CG 3.31Å; L837-M841 WeakPolarHBondContact O-CG 3.24Å; L837-M841 PolarHBondContact O-N 3.05Å; V838-M841 WeakPolarHBondContact O-CB 3.3Å; V838-M841 PolarHBondContact O-N 2.99Å; T839-M841 VanDerWaalsContact C-N 3.33Å; T839-M841 PolarHBondContact O-N 3.32Å; M841-F844 WeakPolarHBondContact O-CB 3.3Å; M841-F844 PolarHBondContact O-N 2.84Å; M841-M845 WeakPolarHBondContact O-CG 3.32Å; M841-M845 PolarHBondContact O-N 3.2Å
842L83.1Confident83.6Confident29 Ų2931.2 Ų31.215%0.15217%0.172CC..Hα-helixtrans-65.9-45.1177.5-74.2165.3000111.6V838 T839 F844 M845 F846 I956 M960V838-L842 HydrophobicContact CG1-CD1 4.1Å; V838-L842 PolarHBondContact O-N 3.35Å; T839-L842 PolarHBondContact O-N 3.11Å; L842-F844 PolarHBondContact O-N 3.14Å; L842-M845 WeakPolarHBondContact O-CB 3.45Å; L842-M845 PolarHBondContact O-N 3.2Å; L842-M845 VanDerWaalsContact O-N 3.09Å; L842-F846 WeakPolarHBondContact O-CD2 3.4Å; L842-F846 PolarHBondContact O-N 3.01Å; L842-I956 HydrophobicContact CB-CD1 3.73Å; L842-M960 HydrophobicContact CD1-CE 3.25Å; L842-M960 HydrophobicContact CD1-CG 4.07Å; L842-M960 HydrophobicContact CD1-SD 3.86Å
843Q88Confident83.9Confident31 Ų3132.9 Ų32.915%0.14518%0.18CC..Hα-helixtrans-58.2-40.7175-174.6178.7-7.400111T839 F846 A847 L908 L911T839-Q843 WeakPolarHBondContact O-CB 3.35Å; T839-Q843 PolarHBondContact O-N 2.9Å; Q843-F846 PolarHBondContact O-N 3.19Å; Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 3.16Å; Q843-L908 HydrophobicContact CG-CD2 4.1Å; Q843-L908 PolarHBondContact NE2-O 3.39Å; Q843-L911 HydrophobicContact CG-CB 4.44Å
844F87.3Confident84.5Confident60 Ų6031.6 Ų31.626%0.26317%0.166SC..Hα-helixtrans-63.5-40.8174.6-176.3-100.8000113T380 T384 S840 M841 L842 A847 I848 I904 L908T380-F844 HydrophobicContact CG2-CE1 4.03Å; T384-F844 HydrophobicContact CG2-CE1 4.23Å; T384-F844 HydrophobicContact CG2-CE2 4.23Å; T384-F844 HydrophobicContact CG2-CZ 3.42Å; T384-F844 VanDerWaalsContact CG2-CZ 3.42Å; S840-F844 VanDerWaalsContact O-CB 3.25Å; S840-F844 WeakPolarHBondContact O-CB 3.45Å; S840-F844 PolarHBondContact O-N 3.09Å; M841-F844 WeakPolarHBondContact O-CB 3.3Å; M841-F844 PolarHBondContact O-N 2.84Å; L842-F844 PolarHBondContact O-N 3.14Å; F844-A847 WeakPolarHBondContact O-CB 3.4Å; F844-A847 PolarHBondContact O-N 3.08Å; F844-I848 HydrophobicContact CD1-CD1 3.89Å; F844-I848 HydrophobicContact CE1-CD1 3.53Å; F844-I848 HydrophobicContact CE1-CG1 4.44Å; F844-I848 HydrophobicContact CZ-CD1 4.05Å; F844-I848 WeakPolarHBondContact O-CG1 3.39Å; F844-I848 PolarHBondContact O-N 3.2Å; F844-I904 HydrophobicContact CD2-CG2 4.36Å; F844-I904 HydrophobicContact CE2-CG2 4.02Å; F844-L908 HydrophobicContact CD2-CD1 4.47Å
845M83.9Confident85.1Confident16 Ų1628.8 Ų28.88%0.07915%0.15CC..Hα-helixtrans-61.7-47174-69.3-17871.800111.7L466 I469 F470 M841 L842 A847 I848 I849L466-M845 HydrophobicContact CB-CE 4.42Å; I469-M845 HydrophobicContact CB-CE 4.33Å; I469-M845 HydrophobicContact CB-SD 4.39Å; I469-M845 HydrophobicContact CD1-CG 4.04Å; I469-M845 HydrophobicContact CG2-CG 4.43Å; I469-M845 HydrophobicContact CG2-SD 4.15Å; F470-M845 HydrophobicContact CD2-CE 3.87Å; F470-M845 HydrophobicContact CE1-SD 4.36Å; F470-M845 HydrophobicContact CE2-CE 3.42Å; F470-M845 VanDerWaalsContact CE2-CE 3.42Å; F470-M845 HydrophobicContact CE2-SD 4.23Å; F470-M845 HydrophobicContact CZ-CE 3.8Å; F470-M845 HydrophobicContact CZ-SD 4.02Å; M841-M845 WeakPolarHBondContact O-CG 3.32Å; M841-M845 PolarHBondContact O-N 3.2Å; L842-M845 WeakPolarHBondContact O-CB 3.45Å; L842-M845 PolarHBondContact O-N 3.2Å; L842-M845 VanDerWaalsContact O-N 3.09Å; M845-A847 VanDerWaalsContact C-N 3.28Å; M845-A847 PolarHBondContact O-N 3.11Å; M845-I848 PolarHBondContact O-N 3.28Å; M845-I849 WeakPolarHBondContact O-CG1 3.27Å; M845-I849 PolarHBondContact O-N 3.27Å
846F89.2Confident85.6Confident28 Ų2828.1 Ų28.112%0.12315%0.147CC..Hα-helixtrans-63-34.3175.5-83.5-81.5000112.4L842 Q843 I849 G850 L911 F948 Y952 V955L842-F846 WeakPolarHBondContact O-CD2 3.4Å; L842-F846 PolarHBondContact O-N 3.01Å; Q843-F846 PolarHBondContact O-N 3.19Å; F846-I849 PolarHBondContact O-N 2.89Å; F846-G850 PolarHBondContact O-N 3.25Å; F846-L911 VanDerWaalsContact C-CD1 3.49Å; F846-L911 HydrophobicContact CB-CD1 3.8Å; F846-F948 HydrophobicContact CD1-CD2 4.43Å; F846-F948 AromaticContact CD1-CE2 3.85Å; F846-F948 HydrophobicContact CD1-CE2 3.85Å; F846-F948 HydrophobicContact CD1-CZ 4.37Å; F846-Y952 HydrophobicContact CB-CD2 3.75Å; F846-Y952 HydrophobicContact CB-CE2 4.1Å; F846-Y952 AromaticContact CD1-CD2 3.95Å; F846-Y952 HydrophobicContact CD1-CD2 3.95Å; F846-Y952 AromaticContact CD2-CD2 3.92Å; F846-Y952 HydrophobicContact CD2-CD2 3.92Å; F846-Y952 HydrophobicContact CD2-CE2 4.49Å; F846-Y952 HydrophobicContact CE2-CD2 4.49Å; F846-Y952 AromaticContact CG-CD2 3.63Å; F846-Y952 HydrophobicContact CG-CD2 3.63Å; F846-Y952 HydrophobicContact CG-CE2 4.34Å; F846-V955 HydrophobicContact CE2-CB 4.33Å; F846-V955 HydrophobicContact CE2-CG1 4.17Å; F846-V955 HydrophobicContact CZ-CB 4.41Å; F846-V955 HydrophobicContact CZ-CG2 4.48Å
847A91.2Very high86Confident0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-62.7-45.2175.600000111.2Q843 F844 M845 G850 V851 A907 L908 L911Q843-A847 WeakPolarHBondContact O-CB 3.47Å; Q843-A847 PolarHBondContact O-N 3.16Å; F844-A847 WeakPolarHBondContact O-CB 3.4Å; F844-A847 PolarHBondContact O-N 3.08Å; M845-A847 VanDerWaalsContact C-N 3.28Å; M845-A847 PolarHBondContact O-N 3.11Å; A847-G850 PolarHBondContact O-N 3.21Å; A847-V851 WeakPolarHBondContact O-CG2 3.34Å; A847-V851 PolarHBondContact O-N 3.37Å; A847-A907 HydrophobicContact CB-CB 4.02Å; A847-L908 HydrophobicContact CB-CD2 3.81Å; A847-L908 HydrophobicContact CB-CG 4Å; A847-L911 VanDerWaalsContact CA-CD1 3.43Å; A847-L911 HydrophobicContact CB-CD1 3.88Å; A847-L911 VanDerWaalsContact N-CD1 3.26Å
848I87.3Confident86.7Confident1 Ų121 Ų211%0.00511%0.11CC..Hα-helixtrans-64.8-42176.7-56.5164000110.6L383 L466 F844 M845 G850 V851 Q852 I904L383-I848 HydrophobicContact CB-CG2 4.34Å; L466-I848 HydrophobicContact CD1-CB 3.91Å; L466-I848 HydrophobicContact CD1-CG2 3.91Å; L466-I848 HydrophobicContact CD2-CB 3.8Å; L466-I848 HydrophobicContact CD2-CD1 3.56Å; L466-I848 HydrophobicContact CD2-CG1 4.29Å; L466-I848 HydrophobicContact CD2-CG2 3.65Å; L466-I848 HydrophobicContact CG-CB 4.5Å; L466-I848 HydrophobicContact CG-CG2 4.25Å; F844-I848 HydrophobicContact CD1-CD1 3.89Å; F844-I848 HydrophobicContact CE1-CD1 3.53Å; F844-I848 HydrophobicContact CE1-CG1 4.44Å; F844-I848 HydrophobicContact CZ-CD1 4.05Å; F844-I848 WeakPolarHBondContact O-CG1 3.39Å; F844-I848 PolarHBondContact O-N 3.2Å; M845-I848 PolarHBondContact O-N 3.28Å; I848-G850 VanDerWaalsContact C-N 3.29Å; I848-G850 PolarHBondContact O-N 3.16Å; I848-V851 PolarHBondContact O-N 3.39Å; I848-Q852 HydrophobicContact CG2-CG 4.42Å; I848-Q852 VanDerWaalsContact O-CG 3.23Å; I848-Q852 WeakPolarHBondContact O-CG 3.34Å; I848-Q852 PolarHBondContact O-N 2.83Å; I848-I904 HydrophobicContact CG1-CD1 3.9Å
849I86.6Confident87.3Confident44 Ų4422 Ų2223%0.22611%0.113CC..Hα-helixtrans-58-44.2173.7-63170.5000110.6A463 L466 M845 F846 Q852 L853 F948A463-I849 HydrophobicContact CB-CG1 4.36Å; L466-I849 HydrophobicContact CD1-CB 4.43Å; L466-I849 HydrophobicContact CD1-CD1 4.28Å; L466-I849 HydrophobicContact CD1-CG1 3.36Å; M845-I849 WeakPolarHBondContact O-CG1 3.27Å; M845-I849 PolarHBondContact O-N 3.27Å; F846-I849 PolarHBondContact O-N 2.89Å; I849-Q852 PolarHBondContact O-N 3.48Å; I849-L853 HydrophobicContact CG2-CD1 3.8Å; I849-L853 HydrophobicContact CG2-CG 4.36Å; I849-L853 VanDerWaalsContact O-CG 3.32Å; I849-L853 WeakPolarHBondContact O-CG 3.48Å; I849-L853 PolarHBondContact O-N 3.01Å; I849-L853 VanDerWaalsContact O-N 3.09Å; I849-F948 HydrophobicContact CB-CE2 4.04Å; I849-F948 HydrophobicContact CG2-CD2 3.99Å; I849-F948 HydrophobicContact CG2-CE2 3.65Å
850G89.6Confident87.8Confident0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-60.9-45178.200000112.7F846 A847 I848 Q852 L853 F854F846-G850 PolarHBondContact O-N 3.25Å; A847-G850 PolarHBondContact O-N 3.21Å; I848-G850 VanDerWaalsContact C-N 3.29Å; I848-G850 PolarHBondContact O-N 3.16Å; G850-Q852 VanDerWaalsContact C-N 3.34Å; G850-Q852 PolarHBondContact O-N 2.99Å; G850-L853 PolarHBondContact O-N 2.98Å; G850-F854 WeakPolarHBondContact O-CB 3.44Å; G850-F854 VanDerWaalsContact O-CD2 3.3Å; G850-F854 WeakPolarHBondContact O-CD2 3.26Å; G850-F854 PolarHBondContact O-N 3.1Å
851V89.9Confident88.3Confident2 Ų225 Ų251%0.01211%0.114CC..Hα-helixtrans-60.4-43.9175.8175.30000111A847 I848 L853 K855 F901 I904 A907A847-V851 WeakPolarHBondContact O-CG2 3.34Å; A847-V851 PolarHBondContact O-N 3.37Å; I848-V851 PolarHBondContact O-N 3.39Å; V851-L853 VanDerWaalsContact C-N 3.25Å; V851-L853 PolarHBondContact O-N 3.32Å; V851-K855 HydrophobicContact CG1-CB 4.35Å; V851-K855 WeakPolarHBondContact O-CB 3.49Å; V851-K855 WeakPolarHBondContact O-CG 3.43Å; V851-K855 PolarHBondContact O-N 3.28Å; V851-F901 WeakPolarHBondContact CA-O 3.32Å; V851-F901 WeakPolarHBondContact CG2-O 3.34Å; V851-I904 HydrophobicContact CG2-CG1 4Å; V851-A907 HydrophobicContact CG2-CB 3.72Å
852Q84.8Confident88.8Confident9 Ų924.9 Ų24.94%0.04212%0.116CC..Hα-helixtrans-63.3-29.9178.2-66.8-69.8-19.100113.8E386 I848 I849 G850E386-Q852 PolarHBondContact OE1-NE2 2.99Å; E386-Q852 PolarHBondContact OE2-NE2 3.28Å; E386-Q852 PolarHBondContact OE2-OE1 2.73Å; I848-Q852 HydrophobicContact CG2-CG 4.42Å; I848-Q852 VanDerWaalsContact O-CG 3.23Å; I848-Q852 WeakPolarHBondContact O-CG 3.34Å; I848-Q852 PolarHBondContact O-N 2.83Å; I849-Q852 PolarHBondContact O-N 3.48Å; G850-Q852 VanDerWaalsContact C-N 3.34Å; G850-Q852 PolarHBondContact O-N 2.99Å
853L85.3Confident89Confident40 Ų4024.1 Ų24.121%0.20911%0.112CC..Hα-helixtrans-89.4-36-177.9-69.6175.9000113.2V460 I849 G850 V851 F948V460-L853 HydrophobicContact CG2-CD2 4.31Å; I849-L853 HydrophobicContact CG2-CD1 3.8Å; I849-L853 HydrophobicContact CG2-CG 4.36Å; I849-L853 VanDerWaalsContact O-CG 3.32Å; I849-L853 WeakPolarHBondContact O-CG 3.48Å; I849-L853 PolarHBondContact O-N 3.01Å; I849-L853 VanDerWaalsContact O-N 3.09Å; G850-L853 PolarHBondContact O-N 2.98Å; V851-L853 VanDerWaalsContact C-N 3.25Å; V851-L853 PolarHBondContact O-N 3.32Å; L853-F948 HydrophobicContact CD1-CD2 4.15Å
854F89.8Confident88.7Confident2 Ų228.3 Ų28.31%0.00914%0.142CC..Hα-helixtrans-124.2-2.8-163.8-54.1-55.5000115.5G850 G856 T857 F858 F901 A927 V945 F948 F949G850-F854 WeakPolarHBondContact O-CB 3.44Å; G850-F854 VanDerWaalsContact O-CD2 3.3Å; G850-F854 WeakPolarHBondContact O-CD2 3.26Å; G850-F854 PolarHBondContact O-N 3.1Å; F854-G856 PolarHBondContact O-N 2.96Å; F854-T857 WeakPolarHBondContact CA-OG1 3.11Å; F854-T857 PolarHBondContact O-N 2.93Å; F854-T857 VanDerWaalsContact O-N 3.08Å; F854-T857 PolarHBondContact O-OG1 3.33Å; F854-F858 HydrophobicContact CB-CD1 4.38Å; F854-F858 HydrophobicContact CB-CE1 3.74Å; F854-F858 HydrophobicContact CB-CZ 3.94Å; F854-F858 AromaticContact CD1-CE1 3.85Å; F854-F858 HydrophobicContact CD1-CE1 3.85Å; F854-F858 HydrophobicContact CD1-CZ 4.22Å; F854-F858 HydrophobicContact CD2-CZ 4.38Å; F854-F858 AromaticContact CG-CE1 3.86Å; F854-F858 HydrophobicContact CG-CE1 3.86Å; F854-F858 AromaticContact CG-CZ 3.91Å; F854-F858 HydrophobicContact CG-CZ 3.91Å; F854-F901 HydrophobicContact CB-CB 3.81Å; F854-F901 HydrophobicContact CB-CD2 4.08Å; F854-F901 HydrophobicContact CB-CG 4.15Å; F854-F901 HydrophobicContact CD2-CD1 4.48Å; F854-F901 AromaticContact CD2-CD2 3.9Å; F854-F901 HydrophobicContact CD2-CD2 3.9Å; F854-F901 HydrophobicContact CD2-CE2 4.21Å; F854-F901 HydrophobicContact CD2-CG 4.07Å; F854-F901 HydrophobicContact CG-CD2 4.34Å; F854-A927 HydrophobicContact CE1-CB 4.25Å; F854-V945 HydrophobicContact CE1-CB 4.35Å; F854-V945 HydrophobicContact CE1-CG1 3.5Å; F854-V945 HydrophobicContact CE1-CG2 3.88Å; F854-V945 HydrophobicContact CZ-CB 4.42Å; F854-V945 HydrophobicContact CZ-CG1 3.36Å; F854-V945 HydrophobicContact CZ-CG2 4.25Å; F854-F948 AromaticContact CE2-CD1 3.85Å; F854-F948 HydrophobicContact CE2-CD1 3.85Å; F854-F948 AromaticContact CE2-CE1 3.96Å; F854-F948 HydrophobicContact CE2-CE1 3.96Å; F854-F948 HydrophobicContact CE2-CG 4.38Å; F854-F948 HydrophobicContact CZ-CD1 4.35Å; F854-F949 HydrophobicContact CE2-CE2 4.44Å; F854-F949 HydrophobicContact CZ-CE2 4.46Å
855K89.1Confident88.6Confident24 Ų2430.9 Ų30.910%0.10416%0.163CC..THydrogen-bonded Turntrans-49.9128.5177.665.3-176-175.9-177.80111.1E386 V851 T857 E933E386-K855 IonicContact OE2-NZ 2.82Å; E386-K855 PolarHBondContact OE2-NZ 2.99Å; V851-K855 HydrophobicContact CG1-CB 4.35Å; V851-K855 WeakPolarHBondContact O-CB 3.49Å; V851-K855 WeakPolarHBondContact O-CG 3.43Å; V851-K855 PolarHBondContact O-N 3.28Å; K855-T857 PolarHBondContact O-N 3.27Å; K855-T857 VanDerWaalsContact O-N 3.11Å; K855-E933 WeakPolarHBondContact CE-OE1 3.26Å; K855-E933 WeakPolarHBondContact O-CG 3.25Å
856G88.4Confident88.8Confident0 Ų035.5 Ų35.50%018%0.179CC..THydrogen-bonded Turntrans69.14.8176.500000116.9Y388 F854 D902Y388-G856 VanDerWaalsContact CE2-CA 3.48Å; F854-G856 PolarHBondContact O-N 2.96Å; G856-D902 PolarHBondContact N-OD1 3.36Å
857T90.3Very high88.7Confident8 Ų836.9 Ų36.95%0.04919%0.192CC..  trans-99.8-9.5-174.666.80000114.4F854 K855 F859 E933F854-T857 WeakPolarHBondContact CA-OG1 3.11Å; F854-T857 PolarHBondContact O-N 2.93Å; F854-T857 VanDerWaalsContact O-N 3.08Å; F854-T857 PolarHBondContact O-OG1 3.33Å; K855-T857 PolarHBondContact O-N 3.27Å; K855-T857 VanDerWaalsContact O-N 3.11Å; T857-F859 VanDerWaalsContact C-N 3.34Å; T857-E933 HydrophobicContact CG2-CG 4.4Å
858F93.4Very high88.6Confident6 Ų639 Ų393%0.02621%0.205CC..  trans-94.412.4-174.7-75.513.6000113.6F854 N897 F899 N900 F901 L923 V926 A927F854-F858 HydrophobicContact CB-CD1 4.38Å; F854-F858 HydrophobicContact CB-CE1 3.74Å; F854-F858 HydrophobicContact CB-CZ 3.94Å; F854-F858 AromaticContact CD1-CE1 3.85Å; F854-F858 HydrophobicContact CD1-CE1 3.85Å; F854-F858 HydrophobicContact CD1-CZ 4.22Å; F854-F858 HydrophobicContact CD2-CZ 4.38Å; F854-F858 AromaticContact CG-CE1 3.86Å; F854-F858 HydrophobicContact CG-CE1 3.86Å; F854-F858 AromaticContact CG-CZ 3.91Å; F854-F858 HydrophobicContact CG-CZ 3.91Å; F858-N897 HydrophobicContact CB-CB 4.01Å; F858-N897 HydrophobicContact CD2-CB 4.39Å; F858-N897 PolarHBondContact O-N 2.66Å; F858-F899 WeakPolarHBondContact CD2-O 3.28Å; F858-N900 HydrophobicContact CD2-CB 4.28Å; F858-F901 HydrophobicContact CD2-CD2 4.4Å; F858-F901 AromaticContact CE2-CD2 3.53Å; F858-F901 HydrophobicContact CE2-CD2 3.53Å; F858-F901 AromaticContact CE2-CE2 3.83Å; F858-F901 HydrophobicContact CE2-CE2 3.83Å; F858-F901 AromaticContact CZ-CD2 3.79Å; F858-F901 HydrophobicContact CZ-CD2 3.79Å; F858-F901 HydrophobicContact CZ-CE2 4.07Å; F858-L923 HydrophobicContact CD2-CD1 4.27Å; F858-L923 HydrophobicContact CE2-CD1 3.63Å; F858-V926 HydrophobicContact CB-CG1 4.26Å; F858-V926 HydrophobicContact CD1-CG1 4.02Å; F858-V926 HydrophobicContact CD2-CG1 3.98Å; F858-V926 HydrophobicContact CE1-CG1 4.37Å; F858-V926 HydrophobicContact CE2-CG1 4.33Å; F858-V926 HydrophobicContact CG-CG1 3.83Å; F858-A927 HydrophobicContact CE1-CB 4.03Å; F858-A927 HydrophobicContact CZ-CB 3.79Å
859F92.4Very high88.7Confident31 Ų3141.4 Ų41.414%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-77.5142.9173.8-72.3-90.7000111.6Y388 T857 W894 N896 P937Y388-F859 AromaticContact CD1-CE2 3.9Å; Y388-F859 HydrophobicContact CD1-CE2 3.9Å; Y388-F859 HydrophobicContact CD1-CZ 4.23Å; Y388-F859 HydrophobicContact CE1-CD2 4.43Å; Y388-F859 AromaticContact CE1-CE2 3.45Å; Y388-F859 HydrophobicContact CE1-CE2 3.45Å; Y388-F859 VanDerWaalsContact CE1-CE2 3.45Å; Y388-F859 AromaticContact CE1-CZ 3.76Å; Y388-F859 HydrophobicContact CE1-CZ 3.76Å; T857-F859 VanDerWaalsContact C-N 3.34Å; F859-W894 HydrophobicContact CB-CD2 4.46Å; F859-W894 VanDerWaalsContact CB-CE2 3.46Å; F859-W894 HydrophobicContact CB-CH2 4.33Å; F859-W894 HydrophobicContact CB-CZ2 3.39Å; F859-W894 AromaticContact CD1-CD1 3.54Å; F859-W894 AromaticContact CD1-NE1 3.19Å; F859-W894 HydrophobicContact CG-CZ2 4.32Å; F859-W894 AromaticContact CG-NE1 3.44Å; F859-N896 HydrophobicContact CD1-CB 3.8Å; F859-N896 HydrophobicContact CE1-CB 3.57Å; F859-N896 HydrophobicContact CG-CB 4.47Å; F859-N896 HydrophobicContact CZ-CB 4.03Å; F859-P937 WeakPolarHBondContact O-CD 3.22Å
860R91.9Very high88.8Confident137 Ų13747.3 Ų47.352%0.51725%0.247SC..EExtended strand (participates in β ladder)trans-138.5154.4173.763.8177.5-178.5142.7-1.7111.2I895 P937R860-I895 PolarHBondContact N-O 2.84Å; R860-I895 PolarHBondContact O-N 3.39Å; R860-I895 VanDerWaalsContact O-O 3.14Å; R860-P937 HydrophobicContact CB-CG 4.03Å
861C92.5Very high88.9Confident10 Ų1049 Ų497%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-87.1148.5165.6-169.10000109.5D863 R866 C872 W894C861-D863 WeakPolarHBondContact CB-O 3.31Å; C861-D863 PolarHBondContact O-N 3.16Å; C861-R866 HydrophobicContact CB-CB 4.31Å; C861-R866 WeakPolarHBondContact CB-O 3.3Å; C861-C872 WeakPolarHBondContact CA-SG 3.1Å; C861-C872 HydrophobicContact CB-CB 3.78Å; C861-C872 WeakPolarHBondContact CB-SG 3.48Å; C861-C872 VanDerWaalsContact SG-CA 3.59Å; C861-C872 WeakPolarHBondContact SG-CB 3.29Å; C861-C872 CovalentContact SG-SG 2.03Å; C861-C872 PolarHBondContact SG-SG 3.36Å; C861-W894 HydrophobicContact CB-CE3 3.89Å; C861-W894 HydrophobicContact CB-CZ3 3.96Å
862T90.1Very high88.9Confident45 Ų4549.2 Ų49.228%0.27626%0.261SS..SBendtrans-60.6-29.6169.551.90000112.3P864 Q891 R892 E893 I895T862-P864 WeakPolarHBondContact O-CD 3.35Å; T862-Q891 PolarHBondContact OG1-O 3.3Å; T862-Q891 VanDerWaalsContact OG1-O 3.09Å; T862-R892 VanDerWaalsContact OG1-CA 3.26Å; T862-R892 WeakPolarHBondContact OG1-CA 3.3Å; T862-E893 HydrophobicContact CG2-CB 4.08Å; T862-E893 PolarHBondContact N-O 2.88Å; T862-E893 PolarHBondContact OG1-N 3.37Å; T862-I895 HydrophobicContact CG2-CD1 3.48Å; T862-I895 VanDerWaalsContact CG2-CD1 3.48Å; T862-I895 HydrophobicContact CG2-CG1 4.29Å
863D88Confident89.2Confident13 Ų1356 Ų567%0.0729%0.29CS..SBendtrans-90.6111.1169.7-178.4-11.5000110C861 V865 R866 F876 R892C861-D863 WeakPolarHBondContact CB-O 3.31Å; C861-D863 PolarHBondContact O-N 3.16Å; D863-V865 PolarHBondContact O-N 3.4Å; D863-V865 VanDerWaalsContact O-N 3.1Å; D863-V865 WeakPolarHBondContact OD1-CB 3.38Å; D863-V865 PolarHBondContact OD1-N 3.42Å; D863-R866 HydrophobicContact CB-CG 4.34Å; D863-R866 PolarHBondContact O-N 2.99Å; D863-R866 VanDerWaalsContact O-N 3.08Å; D863-F876 HydrophobicContact CB-CB 4.18Å; D863-F876 HydrophobicContact CB-CD1 4.36Å; D863-F876 HydrophobicContact CB-CD2 4.19Å; D863-F876 HydrophobicContact CB-CG 4Å; D863-R892 HydrophobicContact CB-CG 4.05Å; D863-R892 IonicContact OD2-CZ 3.13Å; D863-R892 VanDerWaalsContact OD2-CZ 3.25Å; D863-R892 IonicContact OD2-NE 2.94Å; D863-R892 PolarHBondContact OD2-NE 3.18Å; D863-R892 IonicContact OD2-NH2 2.62Å; D863-R892 PolarHBondContact OD2-NH2 3.26Å
864P81.8Confident89.5Confident118 Ų11856.1 Ų56.177%0.76630%0.301SS*.THydrogen-bonded Turntrans-64.8-16.9-175.726.7-34.8000113.7T862 R866T862-P864 WeakPolarHBondContact O-CD 3.35Å; P864-R866 VanDerWaalsContact C-N 3.3Å
865V85.3Confident89.6Confident115 Ų11563.3 Ų63.370%0.69733%0.329SS*.THydrogen-bonded Turntrans-75.1-23.8178.1-174.80000111.4D863D863-V865 PolarHBondContact O-N 3.4Å; D863-V865 VanDerWaalsContact O-N 3.1Å; D863-V865 WeakPolarHBondContact OD1-CB 3.38Å; D863-V865 PolarHBondContact OD1-N 3.42Å
866R89.1Confident89.7Confident113 Ų11363.3 Ų63.343%0.42633%0.329SS..  trans-99.3117.7-176.6-58.6-55.5-176.7176.3-0.4110.5C861 D863 P864C861-R866 HydrophobicContact CB-CB 4.31Å; C861-R866 WeakPolarHBondContact CB-O 3.3Å; D863-R866 HydrophobicContact CB-CG 4.34Å; D863-R866 PolarHBondContact O-N 2.99Å; D863-R866 VanDerWaalsContact O-N 3.08Å; P864-R866 VanDerWaalsContact C-N 3.3Å
867S85.1Confident89.7Confident56 Ų5667.9 Ų67.939%0.39235%0.352SS..  trans-105.81.6-174.960.90000114.2R935 G936S867-R935 CarbonylContact O-C 3.32Å; S867-R935 VanDerWaalsContact O-CA 3.31Å; S867-R935 WeakPolarHBondContact O-CA 3.19Å; S867-G936 PolarHBondContact O-N 3.33Å
868T90.1Very high89.3Confident46 Ų4671.1 Ų71.128%0.28237%0.367SS..SBendtrans-125.4147.8179.265.70000111.3E870 S871 C872T868-E870 PolarHBondContact O-N 3.43Å; T868-S871 PolarHBondContact N-OG 2.99Å; T868-S871 PolarHBondContact O-N 3.15Å; T868-S871 PolarHBondContact O-OG 3.43Å; T868-S871 WeakPolarHBondContact OG1-CB 2.99Å; T868-S871 PolarHBondContact OG1-N 3.3Å; T868-S871 PolarHBondContact OG1-OG 3.04Å; T868-C872 WeakPolarHBondContact O-CB 3.2Å; T868-C872 PolarHBondContact O-N 3.33Å
869P88.8Confident88.8Confident51 Ų5175.2 Ų75.233%0.33139%0.385SS..THydrogen-bonded Turntrans-60-33.417823.4-34000112.1S871 C872 W894 G934P869-S871 VanDerWaalsContact C-N 3.34Å; P869-S871 PolarHBondContact O-N 3.47Å; P869-C872 PolarHBondContact O-N 2.91Å; P869-W894 HydrophobicContact CB-CD2 4.02Å; P869-W894 HydrophobicContact CB-CG 4.11Å; P869-G934 WeakPolarHBondContact CD-O 3.47Å
870E90.1Very high87.8Confident167 Ų16778.5 Ų78.578%0.7840%0.401SS*.THydrogen-bonded Turntrans-66.3-34.2176.4-64.3173.1-178.400113.1T868T868-E870 PolarHBondContact O-N 3.43Å
871S90.2Very high86.4Confident36 Ų3677.6 Ų77.625%0.25240%0.402SS..THydrogen-bonded Turntrans-88.2-16.8179.565.60000113.2T868 P869 K873T868-S871 PolarHBondContact N-OG 2.99Å; T868-S871 PolarHBondContact O-N 3.15Å; T868-S871 PolarHBondContact O-OG 3.43Å; T868-S871 WeakPolarHBondContact OG1-CB 2.99Å; T868-S871 PolarHBondContact OG1-N 3.3Å; T868-S871 PolarHBondContact OG1-OG 3.04Å; P869-S871 VanDerWaalsContact C-N 3.34Å; P869-S871 PolarHBondContact O-N 3.47Å; S871-K873 PolarHBondContact O-N 2.9Å
872C91Very high85.1Confident7 Ų778 Ų785%0.04741%0.408CS..SBendtrans-82.459.8176.8-165.70000111.9C861 T868 P869 E893 W894C861-C872 WeakPolarHBondContact CA-SG 3.1Å; C861-C872 HydrophobicContact CB-CB 3.78Å; C861-C872 WeakPolarHBondContact CB-SG 3.48Å; C861-C872 VanDerWaalsContact SG-CA 3.59Å; C861-C872 WeakPolarHBondContact SG-CB 3.29Å; C861-C872 CovalentContact SG-SG 2.03Å; C861-C872 PolarHBondContact SG-SG 3.36Å; T868-C872 WeakPolarHBondContact O-CB 3.2Å; T868-C872 PolarHBondContact O-N 3.33Å; P869-C872 PolarHBondContact O-N 2.91Å; C872-E893 PolarHBondContact SG-O 2.96Å; C872-W894 HydrophobicContact CB-CB 4.46Å; C872-W894 HydrophobicContact CB-CE3 3.82Å
873K90.1Very high84.2Confident152 Ų15278.6 Ų78.666%0.66141%0.41SS*.  trans-133.8158.8176.2-65.2-175.8179.81790111.3S871 R892S871-K873 PolarHBondContact O-N 2.9Å; K873-R892 WeakPolarHBondContact O-CD 3.38Å; K873-R892 PolarHBondContact O-NH1 2.93Å; K873-R892 VanDerWaalsContact O-NH1 3.15Å
874G91.1Very high83.8Confident41 Ų4185.1 Ų85.142%0.42344%0.442SS..SBendtrans83.7-149.6-179.400000113R892G874-R892 WeakPolarHBondContact O-CB 3.32Å; G874-R892 PolarHBondContact O-N 3.04Å
875Y92.3Very high83.9Confident154 Ų15484.7 Ų84.760%0.60444%0.437SS*.EExtended strand (participates in β ladder)trans-117.4151.8-177.2-58.7-85.7000111.3V889 K890 Q891 R892Y875-V889 HydrophobicContact CD1-CG1 4.13Å; Y875-V889 HydrophobicContact CG-CG1 4.2Å; Y875-K890 CarbonylContact C-O 3.58Å; Y875-K890 WeakPolarHBondContact CA-O 3.26Å; Y875-Q891 HydrophobicContact CD1-CB 4.11Å; Y875-Q891 HydrophobicContact CD1-CG 4.45Å; Y875-Q891 HydrophobicContact CE1-CB 4.08Å; Y875-Q891 HydrophobicContact CE1-CG 4.22Å; Y875-R892 PolarHBondContact O-NH1 3.08Å; Y875-R892 PolarHBondContact O-NH2 3.26Å
876F91.5Very high83.6Confident23 Ų2383.7 Ų83.710%0.10142%0.423CS..EExtended strand (participates in β ladder)trans-128159171.677.6-72.4000110.1D863 E878 K890 Q891 R892D863-F876 HydrophobicContact CB-CB 4.18Å; D863-F876 HydrophobicContact CB-CD1 4.36Å; D863-F876 HydrophobicContact CB-CD2 4.19Å; D863-F876 HydrophobicContact CB-CG 4Å; F876-E878 HydrophobicContact CE2-CB 4.05Å; F876-K890 HydrophobicContact CD1-CB 4.07Å; F876-K890 VanDerWaalsContact CD1-O 3.28Å; F876-K890 WeakPolarHBondContact CD1-O 3.32Å; F876-K890 HydrophobicContact CE1-CB 3.44Å; F876-K890 VanDerWaalsContact CE1-CB 3.44Å; F876-K890 HydrophobicContact CZ-CB 3.78Å; F876-K890 HydrophobicContact CZ-CD 4.43Å; F876-K890 PolarHBondContact N-O 3.17Å; F876-K890 PolarHBondContact O-N 3.24Å; F876-K890 VanDerWaalsContact O-O 3.14Å; F876-Q891 WeakPolarHBondContact CE1-O 3.48Å; F876-R892 HydrophobicContact CB-CG 4.17Å; F876-R892 HydrophobicContact CD1-CG 3.88Å; F876-R892 HydrophobicContact CG-CG 4.39Å
877I88.7Confident83.5Confident96 Ų9681.7 Ų81.749%0.49243%0.425SS..EExtended strand (participates in β ladder)trans-100.2120.7176.8-59.5172.2000106.5F879 P887I877-F879 HydrophobicContact CG2-CD1 4.42Å; I877-F879 HydrophobicContact CG2-CE1 4.05Å; I877-F879 HydrophobicContact CG2-CE2 4.27Å; I877-F879 HydrophobicContact CG2-CZ 3.97Å; I877-P887 HydrophobicContact CG2-CB 3.47Å; I877-P887 VanDerWaalsContact CG2-CB 3.47Å
878E82.6Confident83.5Confident76 Ų7681.4 Ų81.436%0.35542%0.421SS..EExtended strand (participates in β ladder)trans-98.5129.2167.8-173.1178-142.300108.1F876 V888 K890F876-E878 HydrophobicContact CE2-CB 4.05Å; E878-V888 PolarHBondContact N-O 3.31Å; E878-V888 PolarHBondContact O-N 2.99Å; E878-K890 IonicContact OE1-NZ 3.6Å; E878-K890 WeakPolarHBondContact OE2-CD 3.49Å; E878-K890 WeakPolarHBondContact OE2-CE 3.44Å; E878-K890 IonicContact OE2-NZ 3.72Å; E878-K890 PolarHBondContact OE2-NZ 2.64Å
879F81.5Confident83.5Confident92 Ų9284 Ų8440%0.40444%0.436SS..EExtended strand (participates in β ladder)trans-91.7113.8174.5-63.7-77.2000107.8I877 E881 G882 P887I877-F879 HydrophobicContact CG2-CD1 4.42Å; I877-F879 HydrophobicContact CG2-CE1 4.05Å; I877-F879 HydrophobicContact CG2-CE2 4.27Å; I877-F879 HydrophobicContact CG2-CZ 3.97Å; F879-E881 PolarHBondContact O-N 3.32Å; F879-G882 PolarHBondContact O-N 2.75Å; F879-P887 HydrophobicContact CD1-CB 4.27Å; F879-P887 HydrophobicContact CE1-CB 4.14Å
880Q71.7Confident83.5Confident101 Ų10186.2 Ų86.247%0.47244%0.44SS..G310 helixtrans-59.7127.4177-72-177.7-28.700109.2G882 D883 K886 V888Q880-G882 PolarHBondContact O-N 3.35Å; Q880-D883 PolarHBondContact O-N 2.8Å; Q880-K886 HydrophobicContact CB-CB 4.18Å; Q880-K886 PolarHBondContact N-O 2.9Å; Q880-K886 VanDerWaalsContact N-O 3.14Å; Q880-V888 HydrophobicContact CG-CG2 3.76Å
881E62.3Low83.5Confident117 Ų11783.2 Ų83.255%0.54743%0.427SS..G310 helixtrans56.320.8-177-60.6166-169.300113.8H524 F879 D883H524-E881 WeakPolarHBondContact CB-O 3.27Å; F879-E881 PolarHBondContact O-N 3.32Å; E881-D883 PolarHBondContact O-N 3.18Å; E881-D883 VanDerWaalsContact O-N 3.14Å
882G65.4Low83.6Confident19 Ų1983.8 Ų83.820%0.19642%0.423CS..G310 helixtrans62.310.5-172.200000114.7H524 F879 Q880 M884H524-G882 PolarHBondContact CE1-O 3.29Å; H524-G882 VanDerWaalsContact CE1-O 3.27Å; H524-G882 VanDerWaalsContact ND1-C 3.33Å; H524-G882 PolarHBondContact ND1-O 2.85Å; F879-G882 PolarHBondContact O-N 2.75Å; Q880-G882 PolarHBondContact O-N 3.35Å; G882-M884 PolarHBondContact O-N 3.45Å
883D71.4Confident83.6Confident58 Ų5888 Ų8831%0.3144%0.442SS..  trans-71116.1172.6-172.9-9.1000109.3Q880 E881 T885 K886Q880-D883 PolarHBondContact O-N 2.8Å; E881-D883 PolarHBondContact O-N 3.18Å; E881-D883 VanDerWaalsContact O-N 3.14Å; D883-T885 PolarHBondContact O-N 3.43Å; D883-T885 WeakPolarHBondContact OD1-CB 3.22Å; D883-T885 WeakPolarHBondContact OD1-CG2 3.48Å; D883-T885 PolarHBondContact OD1-N 3Å; D883-T885 PolarHBondContact OD1-OG1 3.19Å; D883-T885 PolarHBondContact OD2-OG1 3.47Å; D883-K886 PolarHBondContact O-N 2.91Å
884M80.1Confident83.7Confident150 Ų15083.7 Ų83.774%0.73942%0.422SS*.THydrogen-bonded Turntrans-61.6-15.8179.4-68.2-174.9-109.800112.7G882G882-M884 PolarHBondContact O-N 3.45Å
885T83.1Confident83.6Confident108 Ų10884.7 Ų84.766%0.66342%0.417SS*.THydrogen-bonded Turntrans-84.8-16.2-179.772.60000114.4D883 P887D883-T885 PolarHBondContact O-N 3.43Å; D883-T885 WeakPolarHBondContact OD1-CB 3.22Å; D883-T885 WeakPolarHBondContact OD1-CG2 3.48Å; D883-T885 PolarHBondContact OD1-N 3Å; D883-T885 PolarHBondContact OD1-OG1 3.19Å; D883-T885 PolarHBondContact OD2-OG1 3.47Å; T885-P887 WeakPolarHBondContact O-CD 3.4Å
886K80.5Confident83.6Confident94 Ų9479.1 Ų79.141%0.40940%0.398SS..  trans-115.568.9-178.5-62.7-179.9-174.1173.40112.4Q880 D883Q880-K886 HydrophobicContact CB-CB 4.18Å; Q880-K886 PolarHBondContact N-O 2.9Å; Q880-K886 VanDerWaalsContact N-O 3.14Å; D883-K886 PolarHBondContact O-N 2.91Å
887P86.5Confident83.6Confident72 Ų7279.7 Ų79.747%0.46840%0.402SS..EExtended strand (participates in β ladder)trans-79.5126.7178.831.6-33.6000111.8I877 F879 T885I877-P887 HydrophobicContact CG2-CB 3.47Å; I877-P887 VanDerWaalsContact CG2-CB 3.47Å; F879-P887 HydrophobicContact CD1-CB 4.27Å; F879-P887 HydrophobicContact CE1-CB 4.14Å; T885-P887 WeakPolarHBondContact O-CD 3.4Å
888V85Confident83.7Confident49 Ų4978.9 Ų78.930%0.29740%0.398SS..EExtended strand (participates in β ladder)trans-111.3125170.4-1800000109E878 Q880 K890E878-V888 PolarHBondContact N-O 3.31Å; E878-V888 PolarHBondContact O-N 2.99Å; Q880-V888 HydrophobicContact CG-CG2 3.76Å; V888-K890 HydrophobicContact CG1-CG 4.27Å; V888-K890 PolarHBondContact O-N 3.25Å
889V89.8Confident84.2Confident100 Ų10076.4 Ų76.461%0.60639%0.386SS*.EExtended strand (participates in β ladder)trans-81.4116.5176.7-177.10000108.7Y875Y875-V889 HydrophobicContact CD1-CG1 4.13Å; Y875-V889 HydrophobicContact CG-CG1 4.2Å
890K88.1Confident84.7Confident98 Ų9872.6 Ų72.643%0.42637%0.37SS..EExtended strand (participates in β ladder)trans-115.2155.1174.7-73.7-166.7178.5168.40111.3Y875 F876 E878 V888Y875-K890 CarbonylContact C-O 3.58Å; Y875-K890 WeakPolarHBondContact CA-O 3.26Å; F876-K890 HydrophobicContact CD1-CB 4.07Å; F876-K890 VanDerWaalsContact CD1-O 3.28Å; F876-K890 WeakPolarHBondContact CD1-O 3.32Å; F876-K890 HydrophobicContact CE1-CB 3.44Å; F876-K890 VanDerWaalsContact CE1-CB 3.44Å; F876-K890 HydrophobicContact CZ-CB 3.78Å; F876-K890 HydrophobicContact CZ-CD 4.43Å; F876-K890 PolarHBondContact N-O 3.17Å; F876-K890 PolarHBondContact O-N 3.24Å; F876-K890 VanDerWaalsContact O-O 3.14Å; E878-K890 IonicContact OE1-NZ 3.6Å; E878-K890 WeakPolarHBondContact OE2-CD 3.49Å; E878-K890 WeakPolarHBondContact OE2-CE 3.44Å; E878-K890 IonicContact OE2-NZ 3.72Å; E878-K890 PolarHBondContact OE2-NZ 2.64Å; V888-K890 HydrophobicContact CG1-CG 4.27Å; V888-K890 PolarHBondContact O-N 3.25Å
891Q91.1Very high85.8Confident105 Ų10567.8 Ų67.849%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-82.4140.9178.8-172.8169.9-32.400111.2T862 Y875 F876 E893T862-Q891 PolarHBondContact OG1-O 3.3Å; T862-Q891 VanDerWaalsContact OG1-O 3.09Å; Y875-Q891 HydrophobicContact CD1-CB 4.11Å; Y875-Q891 HydrophobicContact CD1-CG 4.45Å; Y875-Q891 HydrophobicContact CE1-CB 4.08Å; Y875-Q891 HydrophobicContact CE1-CG 4.22Å; F876-Q891 WeakPolarHBondContact CE1-O 3.48Å; Q891-E893 HydrophobicContact CG-CG 4.4Å
892R92.2Very high87.2Confident47 Ų4762.9 Ų62.918%0.17733%0.325CS..  trans-77.5123.1171.9-69-163.4-173.883.512.3110.2T862 D863 K873 G874 Y875 F876T862-R892 VanDerWaalsContact OG1-CA 3.26Å; T862-R892 WeakPolarHBondContact OG1-CA 3.3Å; D863-R892 HydrophobicContact CB-CG 4.05Å; D863-R892 IonicContact OD2-CZ 3.13Å; D863-R892 VanDerWaalsContact OD2-CZ 3.25Å; D863-R892 IonicContact OD2-NE 2.94Å; D863-R892 PolarHBondContact OD2-NE 3.18Å; D863-R892 IonicContact OD2-NH2 2.62Å; D863-R892 PolarHBondContact OD2-NH2 3.26Å; K873-R892 WeakPolarHBondContact O-CD 3.38Å; K873-R892 PolarHBondContact O-NH1 2.93Å; K873-R892 VanDerWaalsContact O-NH1 3.15Å; G874-R892 WeakPolarHBondContact O-CB 3.32Å; G874-R892 PolarHBondContact O-N 3.04Å; Y875-R892 PolarHBondContact O-NH1 3.08Å; Y875-R892 PolarHBondContact O-NH2 3.26Å; F876-R892 HydrophobicContact CB-CG 4.17Å; F876-R892 HydrophobicContact CD1-CG 3.88Å; F876-R892 HydrophobicContact CG-CG 4.39Å
893E90.2Very high88.5Confident95 Ų9565.2 Ų65.244%0.44433%0.333SS..  trans-133139.3177.3-63.7-173.6171.800110.1T862 C872 Q891 I895T862-E893 HydrophobicContact CG2-CB 4.08Å; T862-E893 PolarHBondContact N-O 2.88Å; T862-E893 PolarHBondContact OG1-N 3.37Å; C872-E893 PolarHBondContact SG-O 2.96Å; Q891-E893 HydrophobicContact CG-CG 4.4Å; E893-I895 HydrophobicContact CB-CD1 4.09Å; E893-I895 HydrophobicContact CB-CG1 3.87Å
894W91.6Very high89.4Confident62 Ų6263.4 Ų63.424%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-91.9100.2175.9-172-103.6000108.9F859 C861 P869 C872F859-W894 HydrophobicContact CB-CD2 4.46Å; F859-W894 VanDerWaalsContact CB-CE2 3.46Å; F859-W894 HydrophobicContact CB-CH2 4.33Å; F859-W894 HydrophobicContact CB-CZ2 3.39Å; F859-W894 AromaticContact CD1-CD1 3.54Å; F859-W894 AromaticContact CD1-NE1 3.19Å; F859-W894 HydrophobicContact CG-CZ2 4.32Å; F859-W894 AromaticContact CG-NE1 3.44Å; C861-W894 HydrophobicContact CB-CE3 3.89Å; C861-W894 HydrophobicContact CB-CZ3 3.96Å; P869-W894 HydrophobicContact CB-CD2 4.02Å; P869-W894 HydrophobicContact CB-CG 4.11Å; C872-W894 HydrophobicContact CB-CB 4.46Å; C872-W894 HydrophobicContact CB-CE3 3.82Å
895I90.7Very high89.9Confident63 Ų6363.3 Ų63.332%0.32332%0.319SS..EExtended strand (participates in β ladder)trans-109.5135.7-168-54.1175.8000108.8R860 T862 E893R860-I895 PolarHBondContact N-O 2.84Å; R860-I895 PolarHBondContact O-N 3.39Å; R860-I895 VanDerWaalsContact O-O 3.14Å; T862-I895 HydrophobicContact CG2-CD1 3.48Å; T862-I895 VanDerWaalsContact CG2-CD1 3.48Å; T862-I895 HydrophobicContact CG2-CG1 4.29Å; E893-I895 HydrophobicContact CB-CD1 4.09Å; E893-I895 HydrophobicContact CB-CG1 3.87Å
896N91.3Very high90.4Very high37 Ų3760.7 Ų60.720%0.19830%0.301CS..EExtended strand (participates in β ladder)trans-84.9147.3170.6-161.22.3000110.1F859 N900 D902F859-N896 HydrophobicContact CD1-CB 3.8Å; F859-N896 HydrophobicContact CE1-CB 3.57Å; F859-N896 HydrophobicContact CG-CB 4.47Å; F859-N896 HydrophobicContact CZ-CB 4.03Å; N896-N900 PolarHBondContact ND2-ND2 3.44Å; N896-D902 PolarHBondContact ND2-OD2 2.89Å
897N91.7Very high91Very high35 Ų3556.2 Ų56.219%0.18728%0.282CS..  trans-64.2142.6172-163.657000110.9F858 F899 N900 V926F858-N897 HydrophobicContact CB-CB 4.01Å; F858-N897 HydrophobicContact CD2-CB 4.39Å; F858-N897 PolarHBondContact O-N 2.66Å; N897-F899 VanDerWaalsContact C-N 3.33Å; N897-F899 PolarHBondContact ND2-O 3.44Å; N897-F899 PolarHBondContact O-N 3.13Å; N897-N900 PolarHBondContact O-ND2 3.1Å; N897-V926 HydrophobicContact CB-CG1 4.4Å
898D90.3Very high91.3Very high78 Ų7855.3 Ų55.342%0.41727%0.272SS..SBendtrans-59.5-43.9-175.6-72.1-26.1000112.9L1213 R1218D898-L1213 HydrophobicContact CB-CD1 3.65Å; D898-R1218 IonicContact OD1-CZ 3.99Å; D898-R1218 VanDerWaalsContact OD1-CZ 3.27Å; D898-R1218 IonicContact OD1-NH1 3.21Å; D898-R1218 PolarHBondContact OD1-NH1 3.41Å; D898-R1218 IonicContact OD1-NH2 2.67Å; D898-R1218 PolarHBondContact OD1-NH2 3.02Å; D898-R1218 IonicContact OD2-CZ 3.61Å; D898-R1218 IonicContact OD2-NH1 2.72Å; D898-R1218 PolarHBondContact OD2-NH1 3.05Å; D898-R1218 IonicContact OD2-NH2 2.8Å; D898-R1218 PolarHBondContact OD2-NH2 3.24Å
899F92.9Very high91.7Very high24 Ų2454.1 Ų54.111%0.10527%0.265CS..SBendtrans-96.8112169.8-63.6-65.2000108.8F858 N897 V909 S910 V913 L923 Q1209 M1212 L1213F858-F899 WeakPolarHBondContact CD2-O 3.28Å; N897-F899 VanDerWaalsContact C-N 3.33Å; N897-F899 PolarHBondContact ND2-O 3.44Å; N897-F899 PolarHBondContact O-N 3.13Å; F899-V909 HydrophobicContact CE1-CG1 4.25Å; F899-S910 WeakPolarHBondContact CB-OG 3.46Å; F899-V913 HydrophobicContact CE1-CG2 3.91Å; F899-V913 HydrophobicContact CZ-CG2 4.2Å; F899-L923 HydrophobicContact CB-CD1 4.03Å; F899-L923 HydrophobicContact CB-CD2 4.4Å; F899-L923 WeakPolarHBondContact O-CD1 3.48Å; F899-Q1209 HydrophobicContact CE2-CB 4.2Å; F899-Q1209 HydrophobicContact CE2-CG 4.06Å; F899-Q1209 HydrophobicContact CZ-CB 3.79Å; F899-Q1209 HydrophobicContact CZ-CG 4.19Å; F899-M1212 HydrophobicContact CE1-CE 4Å; F899-M1212 HydrophobicContact CZ-CE 4.12Å; F899-L1213 HydrophobicContact CE1-CD2 4.42Å; F899-L1213 HydrophobicContact CE2-CD1 3.69Å; F899-L1213 HydrophobicContact CE2-CG 4.46Å; F899-L1213 HydrophobicContact CZ-CD1 3.74Å; F899-L1213 HydrophobicContact CZ-CD2 4.17Å; F899-L1213 HydrophobicContact CZ-CG 4.01Å
900N93.3Very high91.9Very high13 Ų1349.4 Ų49.47%0.0724%0.236CC..  trans-137.1165.3-17658.359.5000112.2F858 N896 N897 N906 A907 S910F858-N900 HydrophobicContact CD2-CB 4.28Å; N896-N900 PolarHBondContact ND2-ND2 3.44Å; N897-N900 PolarHBondContact O-ND2 3.1Å; N900-N906 CarbonylContact O-C 3.47Å; N900-N906 VanDerWaalsContact O-CB 3.31Å; N900-N906 WeakPolarHBondContact O-CB 3.43Å; N900-N906 WeakPolarHBondContact OD1-CB 3.3Å; N900-N906 PolarHBondContact OD1-ND2 3.29Å; N900-A907 PolarHBondContact O-N 2.93Å; N900-S910 PolarHBondContact N-OG 3.01Å; N900-S910 PolarHBondContact O-OG 2.87Å
901F93.9Very high92.2Very high0 Ų044.7 Ų44.70%022%0.216CC..  trans-112.831.4-178.5-68.5-93000111.5V851 F854 F858 N903 A907 L911 L923 F948 F949V851-F901 WeakPolarHBondContact CA-O 3.32Å; V851-F901 WeakPolarHBondContact CG2-O 3.34Å; F854-F901 HydrophobicContact CB-CB 3.81Å; F854-F901 HydrophobicContact CB-CD2 4.08Å; F854-F901 HydrophobicContact CB-CG 4.15Å; F854-F901 HydrophobicContact CD2-CD1 4.48Å; F854-F901 AromaticContact CD2-CD2 3.9Å; F854-F901 HydrophobicContact CD2-CD2 3.9Å; F854-F901 HydrophobicContact CD2-CE2 4.21Å; F854-F901 HydrophobicContact CD2-CG 4.07Å; F854-F901 HydrophobicContact CG-CD2 4.34Å; F858-F901 HydrophobicContact CD2-CD2 4.4Å; F858-F901 AromaticContact CE2-CD2 3.53Å; F858-F901 HydrophobicContact CE2-CD2 3.53Å; F858-F901 AromaticContact CE2-CE2 3.83Å; F858-F901 HydrophobicContact CE2-CE2 3.83Å; F858-F901 AromaticContact CZ-CD2 3.79Å; F858-F901 HydrophobicContact CZ-CD2 3.79Å; F858-F901 HydrophobicContact CZ-CE2 4.07Å; F901-N903 VanDerWaalsContact C-N 3.32Å; F901-A907 HydrophobicContact CD1-CB 3.51Å; F901-A907 HydrophobicContact CE1-CB 4.12Å; F901-A907 HydrophobicContact CG-CB 4.35Å; F901-L911 HydrophobicContact CE1-CD1 4.45Å; F901-L911 HydrophobicContact CE1-CD2 4.07Å; F901-L911 HydrophobicContact CE1-CG 3.93Å; F901-L911 HydrophobicContact CZ-CD2 4.15Å; F901-L911 HydrophobicContact CZ-CG 4.36Å; F901-L923 HydrophobicContact CE2-CD2 4.25Å; F901-F948 HydrophobicContact CZ-CE1 4.47Å; F901-F949 HydrophobicContact CE2-CZ 4.29Å; F901-F949 HydrophobicContact CZ-CZ 4.44Å
902D92.6Very high92.2Very high13 Ų1341.1 Ų41.17%0.0720%0.199CC..SBendtrans-70.7-32.6-177.6-68.6-21.9000112.4H387 Y388 G856 N896H387-D902 WeakPolarHBondContact CA-O 3.47Å; Y388-D902 PolarHBondContact N-O 3.18Å; Y388-D902 VanDerWaalsContact N-O 3.1Å; G856-D902 PolarHBondContact N-OD1 3.36Å; N896-D902 PolarHBondContact ND2-OD2 2.89Å
903N91.7Very high92.3Very high69 Ų6939 Ų3937%0.36919%0.191SC..SBendtrans-136.3158.4179.6-64.2-32.4000109.8H387 F901 K905 N906 A907H387-N903 WeakPolarHBondContact CB-OD1 3.47Å; F901-N903 VanDerWaalsContact C-N 3.32Å; N903-K905 VanDerWaalsContact C-N 3.3Å; N903-K905 PolarHBondContact O-N 3.11Å; N903-N906 PolarHBondContact O-N 3.38Å; N903-A907 WeakPolarHBondContact O-CB 3.31Å; N903-A907 PolarHBondContact O-N 3.48Å
904I91.3Very high92.4Very high19 Ų1934.5 Ų34.510%0.09717%0.17CC..Hα-helixtrans-61.7-36.3178.5-68.9177.5000112.9T384 F844 I848 V851 N906 A907 L908T384-I904 HydrophobicContact CG2-CD1 3.92Å; F844-I904 HydrophobicContact CD2-CG2 4.36Å; F844-I904 HydrophobicContact CE2-CG2 4.02Å; I848-I904 HydrophobicContact CG1-CD1 3.9Å; V851-I904 HydrophobicContact CG2-CG1 4Å; I904-N906 PolarHBondContact O-N 3.02Å; I904-A907 PolarHBondContact O-N 3.12Å; I904-L908 HydrophobicContact CG2-CD1 3.95Å; I904-L908 HydrophobicContact CG2-CG 4.19Å; I904-L908 WeakPolarHBondContact O-CB 3.48Å; I904-L908 VanDerWaalsContact O-CG 3.31Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 3.12Å
905K91.1Very high92.3Very high148 Ų14832.1 Ų32.164%0.64317%0.165SC*.Hα-helixtrans-57.9-48.9176.3-177.9-170.4169.3-166.40111N903 L908 V909N903-K905 VanDerWaalsContact C-N 3.3Å; N903-K905 PolarHBondContact O-N 3.11Å; K905-L908 PolarHBondContact O-N 3.15Å; K905-V909 WeakPolarHBondContact O-CG2 3.27Å; K905-V909 PolarHBondContact O-N 3.1Å
906N92.5Very high92.3Very high54 Ų5430.2 Ų30.229%0.28916%0.156SC..Hα-helixtrans-69.4-42.2-179.2-64.20.8000110.5N900 N903 I904 L908 V909 S910N900-N906 CarbonylContact O-C 3.47Å; N900-N906 VanDerWaalsContact O-CB 3.31Å; N900-N906 WeakPolarHBondContact O-CB 3.43Å; N900-N906 WeakPolarHBondContact OD1-CB 3.3Å; N900-N906 PolarHBondContact OD1-ND2 3.29Å; N903-N906 PolarHBondContact O-N 3.38Å; I904-N906 PolarHBondContact O-N 3.02Å; N906-L908 VanDerWaalsContact C-N 3.31Å; N906-L908 PolarHBondContact O-N 3.45Å; N906-V909 PolarHBondContact O-N 3.23Å; N906-V909 VanDerWaalsContact O-N 3.11Å; N906-S910 PolarHBondContact O-N 3.45Å; N906-S910 PolarHBondContact O-OG 3.27Å
907A93.9Very high92.2Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-57.9-40.9175.300000112.7A847 V851 N900 F901 N903 I904 S910 L911A847-A907 HydrophobicContact CB-CB 4.02Å; V851-A907 HydrophobicContact CG2-CB 3.72Å; N900-A907 PolarHBondContact O-N 2.93Å; F901-A907 HydrophobicContact CD1-CB 3.51Å; F901-A907 HydrophobicContact CE1-CB 4.12Å; F901-A907 HydrophobicContact CG-CB 4.35Å; N903-A907 WeakPolarHBondContact O-CB 3.31Å; N903-A907 PolarHBondContact O-N 3.48Å; I904-A907 PolarHBondContact O-N 3.12Å; A907-S910 PolarHBondContact O-N 3.19Å; A907-L911 VanDerWaalsContact O-CB 3.31Å; A907-L911 WeakPolarHBondContact O-CB 3.31Å; A907-L911 VanDerWaalsContact O-CG 3.28Å; A907-L911 WeakPolarHBondContact O-CG 3.47Å; A907-L911 PolarHBondContact O-N 3.46Å
908L92.9Very high92.2Very high52 Ų5229.7 Ų29.727%0.27215%0.151SC..Hα-helixtrans-64-41.1176-77.7171000112Q843 F844 A847 I904 K905 N906 F912Q843-L908 HydrophobicContact CG-CD2 4.1Å; Q843-L908 PolarHBondContact NE2-O 3.39Å; F844-L908 HydrophobicContact CD2-CD1 4.47Å; A847-L908 HydrophobicContact CB-CD2 3.81Å; A847-L908 HydrophobicContact CB-CG 4Å; I904-L908 HydrophobicContact CG2-CD1 3.95Å; I904-L908 HydrophobicContact CG2-CG 4.19Å; I904-L908 WeakPolarHBondContact O-CB 3.48Å; I904-L908 VanDerWaalsContact O-CG 3.31Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 3.12Å; K905-L908 PolarHBondContact O-N 3.15Å; N906-L908 VanDerWaalsContact C-N 3.31Å; N906-L908 PolarHBondContact O-N 3.45Å; L908-F912 VanDerWaalsContact O-CB 3.26Å; L908-F912 WeakPolarHBondContact O-CB 3.19Å; L908-F912 PolarHBondContact O-N 3.44Å
909V93.1Very high92.1Very high24 Ų2426.6 Ų26.615%0.14514%0.137CC..Hα-helixtrans-67.3-46.1176.3175.40000110.7F899 K905 N906 L911 F912 V913 M1212 Y1246 I1250F899-V909 HydrophobicContact CE1-CG1 4.25Å; K905-V909 WeakPolarHBondContact O-CG2 3.27Å; K905-V909 PolarHBondContact O-N 3.1Å; N906-V909 PolarHBondContact O-N 3.23Å; N906-V909 VanDerWaalsContact O-N 3.11Å; V909-L911 PolarHBondContact O-N 3.21Å; V909-F912 WeakPolarHBondContact O-CB 3.32Å; V909-F912 PolarHBondContact O-N 2.74Å; V909-F912 VanDerWaalsContact O-N 3.14Å; V909-V913 WeakPolarHBondContact O-CG2 3.45Å; V909-V913 PolarHBondContact O-N 3.22Å; V909-M1212 HydrophobicContact CG1-CE 4.46Å; V909-Y1246 HydrophobicContact CG1-CD1 4.39Å; V909-I1250 HydrophobicContact CG2-CD1 4.38Å
910S93.9Very high92.1Very high1 Ų125.6 Ų25.61%0.00713%0.133CC..Hα-helixtrans-60.3-44.6177.1-61.30000112.1F899 N900 N906 A907 F912 V913 V914F899-S910 WeakPolarHBondContact CB-OG 3.46Å; N900-S910 PolarHBondContact N-OG 3.01Å; N900-S910 PolarHBondContact O-OG 2.87Å; N906-S910 PolarHBondContact O-N 3.45Å; N906-S910 PolarHBondContact O-OG 3.27Å; A907-S910 PolarHBondContact O-N 3.19Å; S910-F912 VanDerWaalsContact C-N 3.33Å; S910-V913 PolarHBondContact O-N 3.37Å; S910-V914 WeakPolarHBondContact O-CG2 3.49Å; S910-V914 PolarHBondContact O-N 3.04Å
911L93.9Very high92Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-68.3-32.9175.4-72.9-179.6000112.4Q843 F846 A847 F901 A907 V909 V914 G915 F948 Y952Q843-L911 HydrophobicContact CG-CB 4.44Å; F846-L911 VanDerWaalsContact C-CD1 3.49Å; F846-L911 HydrophobicContact CB-CD1 3.8Å; A847-L911 VanDerWaalsContact CA-CD1 3.43Å; A847-L911 HydrophobicContact CB-CD1 3.88Å; A847-L911 VanDerWaalsContact N-CD1 3.26Å; F901-L911 HydrophobicContact CE1-CD1 4.45Å; F901-L911 HydrophobicContact CE1-CD2 4.07Å; F901-L911 HydrophobicContact CE1-CG 3.93Å; F901-L911 HydrophobicContact CZ-CD2 4.15Å; F901-L911 HydrophobicContact CZ-CG 4.36Å; A907-L911 VanDerWaalsContact O-CB 3.31Å; A907-L911 WeakPolarHBondContact O-CB 3.31Å; A907-L911 VanDerWaalsContact O-CG 3.28Å; A907-L911 WeakPolarHBondContact O-CG 3.47Å; A907-L911 PolarHBondContact O-N 3.46Å; V909-L911 PolarHBondContact O-N 3.21Å; L911-V914 PolarHBondContact O-N 3.21Å; L911-G915 PolarHBondContact O-N 3.4Å; L911-F948 HydrophobicContact CD2-CE1 4.17Å; L911-F948 HydrophobicContact CD2-CZ 4.26Å; L911-Y952 VanDerWaalsContact C-OH 3.28Å; L911-Y952 HydrophobicContact CB-CE1 4.29Å; L911-Y952 HydrophobicContact CB-CE2 4.04Å; L911-Y952 HydrophobicContact CD1-CE2 4.12Å; L911-Y952 HydrophobicContact CD2-CD1 4.1Å; L911-Y952 HydrophobicContact CD2-CD2 3.98Å; L911-Y952 HydrophobicContact CD2-CE1 4.08Å; L911-Y952 HydrophobicContact CD2-CE2 3.95Å; L911-Y952 HydrophobicContact CD2-CG 4.05Å; L911-Y952 HydrophobicContact CG-CE2 4.26Å; L911-Y952 VanDerWaalsContact O-CE1 3.24Å; L911-Y952 WeakPolarHBondContact O-CE1 3.27Å; L911-Y952 VanDerWaalsContact O-CZ 3.25Å; L911-Y952 PolarHBondContact O-OH 3.04Å
912F92.1Very high91.9Very high30 Ų3029.6 Ų29.613%0.13215%0.152CC..Hα-helixtrans-61.6-47.6173.8-177-98.4000110.8L908 V909 S910 G915 T916 W1208 I1250 F1253 L1254L908-F912 VanDerWaalsContact O-CB 3.26Å; L908-F912 WeakPolarHBondContact O-CB 3.19Å; L908-F912 PolarHBondContact O-N 3.44Å; V909-F912 WeakPolarHBondContact O-CB 3.32Å; V909-F912 PolarHBondContact O-N 2.74Å; V909-F912 VanDerWaalsContact O-N 3.14Å; S910-F912 VanDerWaalsContact C-N 3.33Å; F912-G915 CarbonylContact O-C 3.6Å; F912-G915 WeakPolarHBondContact O-CA 3.41Å; F912-G915 PolarHBondContact O-N 3.34Å; F912-T916 HydrophobicContact CE1-CG2 4.16Å; F912-T916 HydrophobicContact CZ-CG2 4.37Å; F912-T916 WeakPolarHBondContact O-CG2 3.27Å; F912-T916 PolarHBondContact O-N 2.96Å; F912-T916 VanDerWaalsContact O-N 3.14Å; F912-W1208 AromaticContact CD1-CH2 3.91Å; F912-W1208 HydrophobicContact CD1-CH2 3.91Å; F912-W1208 HydrophobicContact CD1-CZ2 4.05Å; F912-W1208 AromaticContact CE1-CH2 3.75Å; F912-W1208 HydrophobicContact CE1-CH2 3.75Å; F912-W1208 AromaticContact CE1-CZ2 3.82Å; F912-W1208 HydrophobicContact CE1-CZ2 3.82Å; F912-I1250 HydrophobicContact CD1-CG1 4.12Å; F912-I1250 HydrophobicContact CD1-CG2 4.28Å; F912-I1250 HydrophobicContact CE1-CB 4.29Å; F912-I1250 HydrophobicContact CE1-CG1 4.05Å; F912-I1250 HydrophobicContact CE1-CG2 3.86Å; F912-I1250 HydrophobicContact CE2-CG2 4.41Å; F912-I1250 HydrophobicContact CZ-CG2 3.93Å; F912-F1253 HydrophobicContact CZ-CD1 4.14Å; F912-L1254 HydrophobicContact CE2-CD1 4.31Å; F912-L1254 HydrophobicContact CE2-CD2 3.84Å; F912-L1254 HydrophobicContact CE2-CG 4.08Å; F912-L1254 HydrophobicContact CZ-CD1 4.43Å; F912-L1254 HydrophobicContact CZ-CD2 4.01Å; F912-L1254 HydrophobicContact CZ-CG 3.91Å
913V92.7Very high91.9Very high3 Ų329.3 Ų29.32%0.01815%0.15CC..Hα-helixtrans-60.3-46.3175.9172.20000111.4F899 V909 S910 G915 T916 E918 W1208 Q1209F899-V913 HydrophobicContact CE1-CG2 3.91Å; F899-V913 HydrophobicContact CZ-CG2 4.2Å; V909-V913 WeakPolarHBondContact O-CG2 3.45Å; V909-V913 PolarHBondContact O-N 3.22Å; S910-V913 PolarHBondContact O-N 3.37Å; V913-G915 PolarHBondContact O-N 3.33Å; V913-T916 PolarHBondContact O-N 2.89Å; V913-T916 PolarHBondContact O-OG1 3.2Å; V913-E918 WeakPolarHBondContact CG1-O 3.47Å; V913-W1208 HydrophobicContact CG2-CH2 4.09Å; V913-W1208 HydrophobicContact CG2-CZ2 4.04Å; V913-Q1209 HydrophobicContact CG1-CB 3.94Å; V913-Q1209 HydrophobicContact CG1-CG 3.97Å; V913-Q1209 HydrophobicContact CG2-CB 4.09Å
914V92.7Very high92Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-60.3-33.7173.3174.40000111.8S910 L911 T916 F917 W920 L923 F949 Y952 I953S910-V914 WeakPolarHBondContact O-CG2 3.49Å; S910-V914 PolarHBondContact O-N 3.04Å; L911-V914 PolarHBondContact O-N 3.21Å; V914-T916 VanDerWaalsContact C-N 3.26Å; V914-T916 PolarHBondContact O-N 2.96Å; V914-F917 PolarHBondContact O-N 2.84Å; V914-W920 HydrophobicContact CB-CB 4.3Å; V914-W920 HydrophobicContact CG1-CB 4.07Å; V914-W920 HydrophobicContact CG2-CB 4.01Å; V914-L923 HydrophobicContact CG2-CD2 3.74Å; V914-F949 HydrophobicContact CG1-CD1 4.18Å; V914-F949 HydrophobicContact CG2-CD1 4.19Å; V914-F949 HydrophobicContact CG2-CE1 4.09Å; V914-Y952 HydrophobicContact CB-CD1 4.33Å; V914-Y952 HydrophobicContact CB-CE1 4.07Å; V914-Y952 HydrophobicContact CG1-CD1 3.67Å; V914-Y952 HydrophobicContact CG1-CE1 3.87Å; V914-I953 HydrophobicContact CG1-CD1 4.25Å; V914-I953 HydrophobicContact CG1-CG1 4.04Å
915G90.5Very high92Very high12 Ų1226.2 Ų26.212%0.12413%0.132CC..Hα-helixtrans-69.6-20.4177.600000113.9L911 F912 V913 F917L911-G915 PolarHBondContact O-N 3.4Å; F912-G915 CarbonylContact O-C 3.6Å; F912-G915 WeakPolarHBondContact O-CA 3.41Å; F912-G915 PolarHBondContact O-N 3.34Å; V913-G915 PolarHBondContact O-N 3.33Å; G915-F917 VanDerWaalsContact C-N 3.33Å
916T89.7Confident92.1Very high22 Ų2221.2 Ų21.214%0.13511%0.114CC..THydrogen-bonded Turntrans-88.40.1173.567.70000113.4F912 V913 V914 E918 W1208 F1253F912-T916 HydrophobicContact CE1-CG2 4.16Å; F912-T916 HydrophobicContact CZ-CG2 4.37Å; F912-T916 WeakPolarHBondContact O-CG2 3.27Å; F912-T916 PolarHBondContact O-N 2.96Å; F912-T916 VanDerWaalsContact O-N 3.14Å; V913-T916 PolarHBondContact O-N 2.89Å; V913-T916 PolarHBondContact O-OG1 3.2Å; V914-T916 VanDerWaalsContact C-N 3.26Å; V914-T916 PolarHBondContact O-N 2.96Å; T916-E918 VanDerWaalsContact C-N 3.26Å; T916-E918 PolarHBondContact O-N 3.42Å; T916-W1208 HydrophobicContact CG2-CZ2 4.18Å; T916-W1208 PolarHBondContact OG1-NE1 2.96Å; T916-F1253 HydrophobicContact CG2-CD1 3.89Å; T916-F1253 HydrophobicContact CG2-CE1 3.28Å; T916-F1253 HydrophobicContact CG2-CE2 4.37Å; T916-F1253 HydrophobicContact CG2-CZ 3.57Å
917F90.6Very high92.1Very high44 Ų4418.7 Ų18.719%0.19310%0.1CC..THydrogen-bonded Turntrans66.914.8-171.9-61.1-57.1000116.3T547 E549 V914 G915 W920 I953 A957 F958T547-F917 HydrophobicContact CG2-CD1 3.83Å; T547-F917 HydrophobicContact CG2-CE1 3.83Å; E549-F917 WeakPolarHBondContact CB-O 3.42Å; V914-F917 PolarHBondContact O-N 2.84Å; G915-F917 VanDerWaalsContact C-N 3.33Å; F917-W920 VanDerWaalsContact O-CD1 3.26Å; F917-I953 HydrophobicContact CE1-CB 4.41Å; F917-I953 HydrophobicContact CE1-CG1 4.22Å; F917-I953 HydrophobicContact CE1-CG2 3.52Å; F917-I953 HydrophobicContact CZ-CG2 4.17Å; F917-A957 HydrophobicContact CE1-CB 3.75Å; F917-A957 HydrophobicContact CE2-CB 3.89Å; F917-A957 HydrophobicContact CZ-CB 3.31Å; F917-F958 HydrophobicContact CZ-CE2 4.2Å; F917-F958 HydrophobicContact CZ-CZ 4.22Å
918E91Very high92.1Very high18 Ų1818.7 Ų18.78%0.08410%0.1CC..SBendtrans-105.6140.2-178.4-66.8-76.9154.400111V913 T916 W920 G1205 A1207 Q1209V913-E918 WeakPolarHBondContact CG1-O 3.47Å; T916-E918 VanDerWaalsContact C-N 3.26Å; T916-E918 PolarHBondContact O-N 3.42Å; E918-W920 PolarHBondContact O-N 3.06Å; E918-G1205 WeakPolarHBondContact CG-O 3.43Å; E918-G1205 WeakPolarHBondContact OE1-CA 3.46Å; E918-G1205 VanDerWaalsContact OE2-O 3.04Å; E918-A1207 PolarHBondContact OE2-N 2.92Å; E918-Q1209 VanDerWaalsContact CB-OE1 3.3Å
919G87.6Confident92Very high13 Ų1316.9 Ų16.913%0.1349%0.091CC..SBendtrans63.67.4173.600000115.3E549 Q922 L923E549-G919 PolarHBondContact OE1-N 2.98Å; G919-Q922 PolarHBondContact O-OE1 3.36Å; G919-Q922 VanDerWaalsContact O-OE1 3.07Å; G919-L923 PolarHBondContact O-N 2.84Å
920W92.9Very high91.9Very high2 Ų215.8 Ų15.81%0.0088%0.084CC..Hα-helixtrans-75-31.7-172.980-90.5000114F543 Q544 T547 V914 F917 E918 L923 L924 I953F543-W920 AromaticContact CD1-CH2 3.65Å; F543-W920 HydrophobicContact CD1-CH2 3.65Å; F543-W920 HydrophobicContact CD1-CZ2 4.04Å; F543-W920 HydrophobicContact CD1-CZ3 4.47Å; F543-W920 HydrophobicContact CE1-CH2 4.11Å; F543-W920 HydrophobicContact CE1-CZ2 4.36Å; Q544-W920 HydrophobicContact CB-CH2 4.32Å; Q544-W920 HydrophobicContact CB-CZ2 4.04Å; Q544-W920 HydrophobicContact CG-CZ2 4.38Å; T547-W920 HydrophobicContact CG2-CZ2 4.07Å; T547-W920 WeakPolarHBondContact OG1-CZ2 3.28Å; T547-W920 PolarHBondContact OG1-NE1 3.21Å; V914-W920 HydrophobicContact CB-CB 4.3Å; V914-W920 HydrophobicContact CG1-CB 4.07Å; V914-W920 HydrophobicContact CG2-CB 4.01Å; F917-W920 VanDerWaalsContact O-CD1 3.26Å; E918-W920 PolarHBondContact O-N 3.06Å; W920-L923 PolarHBondContact O-N 2.83Å; W920-L924 HydrophobicContact CE3-CB 4.29Å; W920-L924 HydrophobicContact CE3-CD2 4.48Å; W920-L924 HydrophobicContact CZ3-CB 4.44Å; W920-L924 HydrophobicContact CZ3-CD2 3.82Å; W920-L924 VanDerWaalsContact O-CB 3.26Å; W920-L924 WeakPolarHBondContact O-CB 3.44Å; W920-L924 PolarHBondContact O-N 3.11Å; W920-I953 HydrophobicContact CD2-CD1 3.97Å; W920-I953 HydrophobicContact CE3-CD1 3.98Å; W920-I953 HydrophobicContact CG-CD1 4.41Å; W920-I953 HydrophobicContact CZ3-CD1 4.32Å
921P92Very high91.6Very high3 Ų316 Ų162%0.0199%0.086CC..Hα-helixtrans-65.4-39.5175.4-2135.4000111.2Q544 E549 L923 L924 Y925Q544-P921 HydrophobicContact CG-CB 4.48Å; Q544-P921 HydrophobicContact CG-CG 3.85Å; E549-P921 HydrophobicContact CB-CG 4.43Å; E549-P921 HydrophobicContact CG-CG 3.77Å; P921-L923 PolarHBondContact O-N 3.45Å; P921-L924 WeakPolarHBondContact O-CB 3.24Å; P921-L924 PolarHBondContact O-N 3.4Å; P921-Y925 HydrophobicContact CB-CE2 4.3Å; P921-Y925 WeakPolarHBondContact O-CD2 3.27Å; P921-Y925 PolarHBondContact O-N 3.17Å
922Q90.4Very high91.1Very high95 Ų9517.9 Ų17.944%0.44410%0.101SC..Hα-helixtrans-61-47.1176-61.981.52.100110.4D550 G919 L924 Y925 V926D550-Q922 PolarHBondContact OD2-NE2 3.42Å; G919-Q922 PolarHBondContact O-OE1 3.36Å; G919-Q922 VanDerWaalsContact O-OE1 3.07Å; Q922-L924 PolarHBondContact O-N 2.97Å; Q922-Y925 PolarHBondContact O-N 3.02Å; Q922-V926 WeakPolarHBondContact O-CG2 3.45Å; Q922-V926 PolarHBondContact O-N 3.08Å
923L92.9Very high90.7Very high7 Ų721.7 Ų21.74%0.03712%0.119CC..Hα-helixtrans-66.4-37.5178.2-170.161000112.6F858 F899 F901 V914 G919 W920 P921 V926 A927 F949F858-L923 HydrophobicContact CD2-CD1 4.27Å; F858-L923 HydrophobicContact CE2-CD1 3.63Å; F899-L923 HydrophobicContact CB-CD1 4.03Å; F899-L923 HydrophobicContact CB-CD2 4.4Å; F899-L923 WeakPolarHBondContact O-CD1 3.48Å; F901-L923 HydrophobicContact CE2-CD2 4.25Å; V914-L923 HydrophobicContact CG2-CD2 3.74Å; G919-L923 PolarHBondContact O-N 2.84Å; W920-L923 PolarHBondContact O-N 2.83Å; P921-L923 PolarHBondContact O-N 3.45Å; L923-V926 PolarHBondContact O-N 2.92Å; L923-A927 WeakPolarHBondContact O-CB 3.36Å; L923-A927 PolarHBondContact O-N 3.4Å; L923-F949 HydrophobicContact CD2-CE1 3.95Å; L923-F949 HydrophobicContact CD2-CZ 4.42Å; L923-F949 HydrophobicContact CG-CE1 4.04Å; L923-F949 HydrophobicContact CG-CZ 4.16Å
924L93.8Very high90.3Very high2 Ų222.5 Ų22.51%0.0113%0.129CC..Hα-helixtrans-58.3-50.6175.2172.775000111L540 W920 P921 Q922 V926 A927 I928 A946 F949L540-L924 HydrophobicContact CD1-CD2 4.38Å; L540-L924 HydrophobicContact CD2-CD2 4.46Å; W920-L924 HydrophobicContact CE3-CB 4.29Å; W920-L924 HydrophobicContact CE3-CD2 4.48Å; W920-L924 HydrophobicContact CZ3-CB 4.44Å; W920-L924 HydrophobicContact CZ3-CD2 3.82Å; W920-L924 VanDerWaalsContact O-CB 3.26Å; W920-L924 WeakPolarHBondContact O-CB 3.44Å; W920-L924 PolarHBondContact O-N 3.11Å; P921-L924 WeakPolarHBondContact O-CB 3.24Å; P921-L924 PolarHBondContact O-N 3.4Å; Q922-L924 PolarHBondContact O-N 2.97Å; L924-V926 VanDerWaalsContact C-N 3.34Å; L924-V926 PolarHBondContact O-N 3.36Å; L924-A927 CarbonylContact O-C 3.51Å; L924-A927 WeakPolarHBondContact O-CB 3.23Å; L924-A927 PolarHBondContact O-N 2.84Å; L924-A927 VanDerWaalsContact O-N 3.1Å; L924-I928 HydrophobicContact CD1-CD1 4.15Å; L924-I928 HydrophobicContact CD1-CG1 4.44Å; L924-I928 HydrophobicContact CD2-CD1 4.26Å; L924-I928 HydrophobicContact CG-CD1 3.86Å; L924-I928 HydrophobicContact CG-CG1 4.44Å; L924-I928 WeakPolarHBondContact O-CG1 3.16Å; L924-I928 PolarHBondContact O-N 3.08Å; L924-A946 HydrophobicContact CD1-CB 3.82Å; L924-F949 HydrophobicContact CD1-CB 4.04Å; L924-F949 HydrophobicContact CD1-CD2 3.79Å; L924-F949 HydrophobicContact CD1-CG 4.06Å
925Y92.8Very high90.1Very high21 Ų2129.9 Ų29.98%0.08216%0.157CC..Hα-helixtrans-67.6-35.2-177.1-68.2-56.4000112.1R529 S530 Q537 P921 Q922 A927 I928 D929R529-Y925 HydrophobicContact CB-CD1 4.11Å; R529-Y925 HydrophobicContact CB-CD2 3.81Å; R529-Y925 HydrophobicContact CB-CE1 3.98Å; R529-Y925 HydrophobicContact CB-CE2 3.67Å; R529-Y925 HydrophobicContact CB-CG 4.05Å; R529-Y925 HydrophobicContact CG-CD2 4.36Å; R529-Y925 HydrophobicContact CG-CG 4.34Å; S530-Y925 PolarHBondContact OG-OH 3.01Å; Q537-Y925 PolarHBondContact NE2-OH 2.92Å; P921-Y925 HydrophobicContact CB-CE2 4.3Å; P921-Y925 WeakPolarHBondContact O-CD2 3.27Å; P921-Y925 PolarHBondContact O-N 3.17Å; Q922-Y925 PolarHBondContact O-N 3.02Å; Y925-A927 VanDerWaalsContact C-N 3.28Å; Y925-A927 PolarHBondContact O-N 3.23Å; Y925-I928 HydrophobicContact CD1-CD1 4.06Å; Y925-I928 HydrophobicContact CE1-CD1 4.43Å; Y925-I928 PolarHBondContact O-N 3.34Å; Y925-D929 WeakPolarHBondContact O-CB 3.09Å; Y925-D929 PolarHBondContact O-N 2.83Å
926V92.6Very high89.9Confident43 Ų4329.4 Ų29.426%0.26115%0.152SC..Hα-helixtrans-59.1-42.2169.8172.60000110.8F858 N897 Q922 L923 L924 D929 S930F858-V926 HydrophobicContact CB-CG1 4.26Å; F858-V926 HydrophobicContact CD1-CG1 4.02Å; F858-V926 HydrophobicContact CD2-CG1 3.98Å; F858-V926 HydrophobicContact CE1-CG1 4.37Å; F858-V926 HydrophobicContact CE2-CG1 4.33Å; F858-V926 HydrophobicContact CG-CG1 3.83Å; N897-V926 HydrophobicContact CB-CG1 4.4Å; Q922-V926 WeakPolarHBondContact O-CG2 3.45Å; Q922-V926 PolarHBondContact O-N 3.08Å; L923-V926 PolarHBondContact O-N 2.92Å; L924-V926 VanDerWaalsContact C-N 3.34Å; L924-V926 PolarHBondContact O-N 3.36Å; V926-D929 PolarHBondContact O-N 3.28Å; V926-S930 PolarHBondContact O-N 3.05Å; V926-S930 VanDerWaalsContact O-N 3.11Å
927A92.9Very high90Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-70.3-35178.200000113.2F854 F858 L923 L924 Y925 D929 S930 V945 F949F854-A927 HydrophobicContact CE1-CB 4.25Å; F858-A927 HydrophobicContact CE1-CB 4.03Å; F858-A927 HydrophobicContact CZ-CB 3.79Å; L923-A927 WeakPolarHBondContact O-CB 3.36Å; L923-A927 PolarHBondContact O-N 3.4Å; L924-A927 CarbonylContact O-C 3.51Å; L924-A927 WeakPolarHBondContact O-CB 3.23Å; L924-A927 PolarHBondContact O-N 2.84Å; L924-A927 VanDerWaalsContact O-N 3.1Å; Y925-A927 VanDerWaalsContact C-N 3.28Å; Y925-A927 PolarHBondContact O-N 3.23Å; A927-D929 VanDerWaalsContact C-N 3.33Å; A927-S930 WeakPolarHBondContact O-CB 3.03Å; A927-S930 PolarHBondContact O-N 2.91Å; A927-S930 PolarHBondContact O-OG 3.49Å; A927-V945 HydrophobicContact CB-CG1 3.7Å; A927-F949 HydrophobicContact CB-CE2 3.49Å; A927-F949 VanDerWaalsContact CB-CE2 3.49Å; A927-F949 HydrophobicContact CB-CZ 3.94Å
928I92.9Very high90Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-65.4-38.4174.3-72.3171.3000111.1L540 L924 Y925 S930 N940 Y941 R942 Q943 A946L540-I928 HydrophobicContact CD1-CD1 4.2Å; L924-I928 HydrophobicContact CD1-CD1 4.15Å; L924-I928 HydrophobicContact CD1-CG1 4.44Å; L924-I928 HydrophobicContact CD2-CD1 4.26Å; L924-I928 HydrophobicContact CG-CD1 3.86Å; L924-I928 HydrophobicContact CG-CG1 4.44Å; L924-I928 WeakPolarHBondContact O-CG1 3.16Å; L924-I928 PolarHBondContact O-N 3.08Å; Y925-I928 HydrophobicContact CD1-CD1 4.06Å; Y925-I928 HydrophobicContact CE1-CD1 4.43Å; Y925-I928 PolarHBondContact O-N 3.34Å; I928-S930 VanDerWaalsContact C-N 3.29Å; I928-N940 WeakPolarHBondContact CG2-OD1 3.44Å; I928-Y941 PolarHBondContact O-N 3.31Å; I928-R942 PolarHBondContact O-N 3.08Å; I928-Q943 HydrophobicContact CG2-CG 4.07Å; I928-A946 HydrophobicContact CD1-CB 4.44Å
929D91.9Very high89.8Confident14 Ų1438 Ų388%0.07519%0.194CC..Hα-helixtrans-81-9.9179.8-68.4-12.7000112.9R529 Y925 V926 A927 P937 I938 Y939 N940R529-D929 IonicContact CZ-OD1 3.95Å; R529-D929 IonicContact CZ-OD2 2.76Å; R529-D929 VanDerWaalsContact NH1-CG 3.35Å; R529-D929 IonicContact NH1-OD1 3.91Å; R529-D929 PolarHBondContact NH1-OD1 3.04Å; R529-D929 IonicContact NH1-OD2 2.76Å; R529-D929 PolarHBondContact NH1-OD2 2.71Å; R529-D929 IonicContact NH2-OD2 3.25Å; R529-D929 PolarHBondContact NH2-OD2 2.64Å; Y925-D929 WeakPolarHBondContact O-CB 3.09Å; Y925-D929 PolarHBondContact O-N 2.83Å; V926-D929 PolarHBondContact O-N 3.28Å; A927-D929 VanDerWaalsContact C-N 3.33Å; D929-P937 HydrophobicContact CB-CB 3.73Å; D929-P937 CarbonylContact O-C 3.51Å; D929-P937 VanDerWaalsContact O-CA 3.23Å; D929-P937 WeakPolarHBondContact O-CA 3.38Å; D929-I938 VanDerWaalsContact CA-O 3.29Å; D929-I938 WeakPolarHBondContact CA-O 3.12Å; D929-I938 PolarHBondContact O-N 3.36Å; D929-Y939 WeakPolarHBondContact OD1-CA 3.28Å; D929-N940 PolarHBondContact OD1-N 3.19Å
930S90.5Very high89.9Confident1 Ų139.4 Ų39.41%0.00720%0.199CC..  trans-61.9138-177.572.90000112.9V926 A927 I928 Y941 R942V926-S930 PolarHBondContact O-N 3.05Å; V926-S930 VanDerWaalsContact O-N 3.11Å; A927-S930 WeakPolarHBondContact O-CB 3.03Å; A927-S930 PolarHBondContact O-N 2.91Å; A927-S930 PolarHBondContact O-OG 3.49Å; I928-S930 VanDerWaalsContact C-N 3.29Å; S930-Y941 WeakPolarHBondContact O-CD1 3.42Å; S930-R942 WeakPolarHBondContact O-CD 3.44Å
931T86.9Confident89.7Confident6 Ų645.8 Ų45.84%0.03722%0.224CC..  trans-114.8-112.7-177.366.90000112.3R935 G936 I938 Y941 R942T931-R935 WeakPolarHBondContact OG1-CB 2.9Å; T931-G936 PolarHBondContact OG1-O 3.19Å; T931-I938 HydrophobicContact CG2-CB 3.69Å; T931-I938 HydrophobicContact CG2-CD1 3.74Å; T931-I938 HydrophobicContact CG2-CG1 3.64Å; T931-Y941 HydrophobicContact CG2-CD1 3.83Å; T931-Y941 HydrophobicContact CG2-CE1 4.41Å; T931-Y941 HydrophobicContact CG2-CG 4.12Å; T931-R942 PolarHBondContact O-NH1 3.16Å; T931-R942 PolarHBondContact O-NH2 2.93Å
932A83.6Confident89.5Confident40 Ų4047.8 Ų47.833%0.33123%0.231SC..SBendtrans-111.1161.6177.100000109.8G934 R935A932-G934 PolarHBondContact O-N 3.4Å; A932-R935 PolarHBondContact O-N 3.09Å; A932-R935 VanDerWaalsContact O-N 3.07Å
933E84.8Confident89.3Confident109 Ų10947.2 Ų47.251%0.50923%0.228SC..THydrogen-bonded Turntrans-54.7135.4173.6-63179.6-161.500110.7Y388 K855 T857 R935Y388-E933 HydrophobicContact CE2-CB 4.38Å; K855-E933 WeakPolarHBondContact CE-OE1 3.26Å; K855-E933 WeakPolarHBondContact O-CG 3.25Å; T857-E933 HydrophobicContact CG2-CG 4.4Å; E933-R935 PolarHBondContact O-N 3.06Å
934G83.3Confident89Confident21 Ų2152.2 Ų52.222%0.21626%0.259CS..THydrogen-bonded Turntrans72.28.4-177.800000115.3P869 A932P869-G934 WeakPolarHBondContact CD-O 3.47Å; A932-G934 PolarHBondContact O-N 3.4Å
935R88.3Confident88.8Confident154 Ų15453.2 Ų53.258%0.58127%0.266SS*.  trans-119.4146.4172.6-66.7-172.2-176.6165.61.4111.4S867 T931 A932 E933S867-R935 CarbonylContact O-C 3.32Å; S867-R935 VanDerWaalsContact O-CA 3.31Å; S867-R935 WeakPolarHBondContact O-CA 3.19Å; T931-R935 WeakPolarHBondContact OG1-CB 2.9Å; A932-R935 PolarHBondContact O-N 3.09Å; A932-R935 VanDerWaalsContact O-N 3.07Å; E933-R935 PolarHBondContact O-N 3.06Å
936G86.9Confident88.7Confident2 Ų252.6 Ų52.62%0.02126%0.264CS..  trans-73.3172.3179.900000112.4S867 T931S867-G936 PolarHBondContact O-N 3.33Å; T931-G936 PolarHBondContact OG1-O 3.19Å
937P91.4Very high88.6Confident61 Ų6156 Ų5640%0.39628%0.28SS..  trans-66145.3179.925.9-33.4000112F859 R860 D929F859-P937 WeakPolarHBondContact O-CD 3.22Å; R860-P937 HydrophobicContact CB-CG 4.03Å; D929-P937 HydrophobicContact CB-CB 3.73Å; D929-P937 CarbonylContact O-C 3.51Å; D929-P937 VanDerWaalsContact O-CA 3.23Å; D929-P937 WeakPolarHBondContact O-CA 3.38Å
938I90.3Very high88.5Confident93 Ų9356.8 Ų56.848%0.47728%0.284SS..  trans-121127.7167-66.8171.4000107.4D929 T931 N940 Y941D929-I938 VanDerWaalsContact CA-O 3.29Å; D929-I938 WeakPolarHBondContact CA-O 3.12Å; D929-I938 PolarHBondContact O-N 3.36Å; T931-I938 HydrophobicContact CG2-CB 3.69Å; T931-I938 HydrophobicContact CG2-CD1 3.74Å; T931-I938 HydrophobicContact CG2-CG1 3.64Å; I938-N940 PolarHBondContact O-N 3.17Å; I938-Y941 WeakPolarHBondContact O-CB 3.32Å; I938-Y941 PolarHBondContact O-N 3.09Å
939Y87.9Confident88.5Confident110 Ų11056.8 Ų56.843%0.43128%0.284SS..THydrogen-bonded Turntrans-50.1122.6-178-174.7-88.8000112.3D929 Y941D929-Y939 WeakPolarHBondContact OD1-CA 3.28Å; Y939-Y941 VanDerWaalsContact C-N 3.27Å; Y939-Y941 PolarHBondContact O-N 3.43Å
940N88.3Confident88.4Confident43 Ų4358.2 Ų58.223%0.2329%0.291CS..THydrogen-bonded Turntrans5532.7176.5-79-22.3000115.4I928 D929 I938 Q943I928-N940 WeakPolarHBondContact CG2-OD1 3.44Å; D929-N940 PolarHBondContact OD1-N 3.19Å; I938-N940 PolarHBondContact O-N 3.17Å; N940-Q943 HydrophobicContact CB-CG 4.33Å; N940-Q943 PolarHBondContact ND2-NE2 3.39Å
941Y89.6Confident88.3Confident137 Ų13760.2 Ų60.254%0.53731%0.305SS..THydrogen-bonded Turntrans-66.4-41.1-179.8-173.8-116.3000113.3I928 S930 T931 I938 Y939I928-Y941 PolarHBondContact O-N 3.31Å; S930-Y941 WeakPolarHBondContact O-CD1 3.42Å; T931-Y941 HydrophobicContact CG2-CD1 3.83Å; T931-Y941 HydrophobicContact CG2-CE1 4.41Å; T931-Y941 HydrophobicContact CG2-CG 4.12Å; I938-Y941 WeakPolarHBondContact O-CB 3.32Å; I938-Y941 PolarHBondContact O-N 3.09Å; Y939-Y941 VanDerWaalsContact C-N 3.27Å; Y939-Y941 PolarHBondContact O-N 3.43Å
942R86.8Confident88.5Confident44 Ų4460 Ų6017%0.16630%0.303CS..THydrogen-bonded Turntrans-130.763.5-174.1-68.8177.9-177.2174.44.6113.5I928 S930 T931 T944 V945I928-R942 PolarHBondContact O-N 3.08Å; S930-R942 WeakPolarHBondContact O-CD 3.44Å; T931-R942 PolarHBondContact O-NH1 3.16Å; T931-R942 PolarHBondContact O-NH2 2.93Å; R942-T944 PolarHBondContact O-N 3.18Å; R942-T944 VanDerWaalsContact O-N 3.08Å; R942-V945 HydrophobicContact CB-CG2 3.89Å; R942-V945 WeakPolarHBondContact O-CB 3.48Å; R942-V945 PolarHBondContact O-N 3.05Å; R942-V945 VanDerWaalsContact O-N 3.09Å
943Q87Confident88.9Confident83 Ų8358.1 Ų58.139%0.38829%0.287SS..G310 helixtrans-56.5-28.2176-66.8-179.1-10.900114I928 N940 V945 A946I928-Q943 HydrophobicContact CG2-CG 4.07Å; N940-Q943 HydrophobicContact CB-CG 4.33Å; N940-Q943 PolarHBondContact ND2-NE2 3.39Å; Q943-V945 PolarHBondContact O-N 3.23Å; Q943-V945 VanDerWaalsContact O-N 3.14Å; Q943-A946 WeakPolarHBondContact O-CB 3.25Å; Q943-A946 PolarHBondContact O-N 3.43Å; Q943-A946 VanDerWaalsContact O-N 3.11Å
944T86.7Confident88.8Confident113 Ų11355.2 Ų55.269%0.69328%0.277SS*.G310 helixtrans-60.4-23.6178.5-46.10000113.5R942 A946 I947R942-T944 PolarHBondContact O-N 3.18Å; R942-T944 VanDerWaalsContact O-N 3.08Å; T944-A946 PolarHBondContact O-N 3.49Å; T944-I947 HydrophobicContact CG2-CD1 4.04Å; T944-I947 WeakPolarHBondContact O-CB 3.34Å; T944-I947 WeakPolarHBondContact O-CG1 3.44Å; T944-I947 PolarHBondContact O-N 2.69Å
945V89.3Confident88.8Confident23 Ų2356.5 Ų56.514%0.13928%0.281CS..G310 helixtrans-60.4-25.3176.5163.60000112.3F854 A927 R942 Q943 I947 F948 F949F854-V945 HydrophobicContact CE1-CB 4.35Å; F854-V945 HydrophobicContact CE1-CG1 3.5Å; F854-V945 HydrophobicContact CE1-CG2 3.88Å; F854-V945 HydrophobicContact CZ-CB 4.42Å; F854-V945 HydrophobicContact CZ-CG1 3.36Å; F854-V945 HydrophobicContact CZ-CG2 4.25Å; A927-V945 HydrophobicContact CB-CG1 3.7Å; R942-V945 HydrophobicContact CB-CG2 3.89Å; R942-V945 WeakPolarHBondContact O-CB 3.48Å; R942-V945 PolarHBondContact O-N 3.05Å; R942-V945 VanDerWaalsContact O-N 3.09Å; Q943-V945 PolarHBondContact O-N 3.23Å; Q943-V945 VanDerWaalsContact O-N 3.14Å; V945-I947 PolarHBondContact O-N 2.94Å; V945-F948 VanDerWaalsContact O-CB 3.29Å; V945-F948 WeakPolarHBondContact O-CB 3.21Å; V945-F948 PolarHBondContact O-N 3.11Å; V945-F949 HydrophobicContact CG1-CD2 4.32Å; V945-F949 HydrophobicContact CG1-CE2 4.07Å
946A91Very high88.6Confident7 Ų749.8 Ų49.86%0.05826%0.256CS..Hα-helixtrans-56.1-28.1177.200000113.4L540 L924 I928 Q943 T944 F948 F949 I950L540-A946 HydrophobicContact CD1-CB 4.16Å; L540-A946 HydrophobicContact CD2-CB 3.8Å; L924-A946 HydrophobicContact CD1-CB 3.82Å; I928-A946 HydrophobicContact CD1-CB 4.44Å; Q943-A946 WeakPolarHBondContact O-CB 3.25Å; Q943-A946 PolarHBondContact O-N 3.43Å; Q943-A946 VanDerWaalsContact O-N 3.11Å; T944-A946 PolarHBondContact O-N 3.49Å; A946-F948 PolarHBondContact O-N 2.89Å; A946-F949 PolarHBondContact O-N 3.07Å; A946-I950 VanDerWaalsContact O-CG1 3.31Å; A946-I950 WeakPolarHBondContact O-CG1 3.43Å; A946-I950 PolarHBondContact O-N 2.97Å
947I90.5Very high88.2Confident114 Ų11449.8 Ų49.859%0.58526%0.256SS*.Hα-helixtrans-60.1-35.9175.4-61.5174000111.3T944 V945 S951T944-I947 HydrophobicContact CG2-CD1 4.04Å; T944-I947 WeakPolarHBondContact O-CB 3.34Å; T944-I947 WeakPolarHBondContact O-CG1 3.44Å; T944-I947 PolarHBondContact O-N 2.69Å; V945-I947 PolarHBondContact O-N 2.94Å; I947-S951 WeakPolarHBondContact O-CB 3.4Å; I947-S951 PolarHBondContact O-N 3.1Å; I947-S951 PolarHBondContact O-OG 3.46Å; I947-S951 VanDerWaalsContact O-OG 3.08Å
948F91Very high87.5Confident18 Ų1849 Ų498%0.07925%0.246CC..Hα-helixtrans-60.7-53.6177.4172.7-98.7000110.9F846 I849 L853 F854 F901 L911 V945 A946 S951 Y952F846-F948 HydrophobicContact CD1-CD2 4.43Å; F846-F948 AromaticContact CD1-CE2 3.85Å; F846-F948 HydrophobicContact CD1-CE2 3.85Å; F846-F948 HydrophobicContact CD1-CZ 4.37Å; I849-F948 HydrophobicContact CB-CE2 4.04Å; I849-F948 HydrophobicContact CG2-CD2 3.99Å; I849-F948 HydrophobicContact CG2-CE2 3.65Å; L853-F948 HydrophobicContact CD1-CD2 4.15Å; F854-F948 AromaticContact CE2-CD1 3.85Å; F854-F948 HydrophobicContact CE2-CD1 3.85Å; F854-F948 AromaticContact CE2-CE1 3.96Å; F854-F948 HydrophobicContact CE2-CE1 3.96Å; F854-F948 HydrophobicContact CE2-CG 4.38Å; F854-F948 HydrophobicContact CZ-CD1 4.35Å; F901-F948 HydrophobicContact CZ-CE1 4.47Å; L911-F948 HydrophobicContact CD2-CE1 4.17Å; L911-F948 HydrophobicContact CD2-CZ 4.26Å; V945-F948 VanDerWaalsContact O-CB 3.29Å; V945-F948 WeakPolarHBondContact O-CB 3.21Å; V945-F948 PolarHBondContact O-N 3.11Å; A946-F948 PolarHBondContact O-N 2.89Å; F948-S951 PolarHBondContact O-N 2.92Å; F948-S951 PolarHBondContact O-OG 3.25Å; F948-Y952 WeakPolarHBondContact O-CB 3.42Å; F948-Y952 PolarHBondContact O-N 3.11Å
949F92.8Very high86.7Confident0 Ų045.8 Ų45.80%023%0.229CC..Hα-helixtrans-64.4-44.3-179.7-72-88.6000112.4F854 F901 V914 L923 L924 A927 V945 A946 S951 Y952 I953F854-F949 HydrophobicContact CE2-CE2 4.44Å; F854-F949 HydrophobicContact CZ-CE2 4.46Å; F901-F949 HydrophobicContact CE2-CZ 4.29Å; F901-F949 HydrophobicContact CZ-CZ 4.44Å; V914-F949 HydrophobicContact CG1-CD1 4.18Å; V914-F949 HydrophobicContact CG2-CD1 4.19Å; V914-F949 HydrophobicContact CG2-CE1 4.09Å; L923-F949 HydrophobicContact CD2-CE1 3.95Å; L923-F949 HydrophobicContact CD2-CZ 4.42Å; L923-F949 HydrophobicContact CG-CE1 4.04Å; L923-F949 HydrophobicContact CG-CZ 4.16Å; L924-F949 HydrophobicContact CD1-CB 4.04Å; L924-F949 HydrophobicContact CD1-CD2 3.79Å; L924-F949 HydrophobicContact CD1-CG 4.06Å; A927-F949 HydrophobicContact CB-CE2 3.49Å; A927-F949 VanDerWaalsContact CB-CE2 3.49Å; A927-F949 HydrophobicContact CB-CZ 3.94Å; V945-F949 HydrophobicContact CG1-CD2 4.32Å; V945-F949 HydrophobicContact CG1-CE2 4.07Å; A946-F949 PolarHBondContact O-N 3.07Å; F949-S951 VanDerWaalsContact C-N 3.34Å; F949-S951 PolarHBondContact O-N 3.19Å; F949-Y952 PolarHBondContact O-N 3.12Å; F949-I953 WeakPolarHBondContact O-CB 3.43Å; F949-I953 WeakPolarHBondContact O-CG1 3.38Å; F949-I953 PolarHBondContact O-N 3.42Å
950I90.5Very high86Confident44 Ų4440.7 Ų40.723%0.22621%0.21CC..Hα-helixtrans-61.9-43.7176.3-64.5168.3000110.5L540 F543 A946 Y952 I953 V954L540-I950 HydrophobicContact CD2-CD1 3.7Å; F543-I950 HydrophobicContact CD1-CG1 4.32Å; F543-I950 HydrophobicContact CE1-CG1 4.16Å; F543-I950 HydrophobicContact CE2-CG2 4.48Å; F543-I950 HydrophobicContact CZ-CG2 4.2Å; A946-I950 VanDerWaalsContact O-CG1 3.31Å; A946-I950 WeakPolarHBondContact O-CG1 3.43Å; A946-I950 PolarHBondContact O-N 2.97Å; I950-Y952 VanDerWaalsContact C-N 3.34Å; I950-Y952 PolarHBondContact O-N 3.1Å; I950-I953 PolarHBondContact O-N 2.82Å; I950-V954 HydrophobicContact CG2-CG2 4.27Å; I950-V954 WeakPolarHBondContact O-CB 3.44Å; I950-V954 VanDerWaalsContact O-CG2 3.26Å; I950-V954 WeakPolarHBondContact O-CG2 3.24Å; I950-V954 PolarHBondContact O-N 3.01Å
951S87.6Confident85.3Confident43 Ų4343 Ų4330%0.30122%0.219SC..Hα-helixtrans-64.3-39.4178.473.40000112.3I947 F948 F949 V954 V955I947-S951 WeakPolarHBondContact O-CB 3.4Å; I947-S951 PolarHBondContact O-N 3.1Å; I947-S951 PolarHBondContact O-OG 3.46Å; I947-S951 VanDerWaalsContact O-OG 3.08Å; F948-S951 PolarHBondContact O-N 2.92Å; F948-S951 PolarHBondContact O-OG 3.25Å; F949-S951 VanDerWaalsContact C-N 3.34Å; F949-S951 PolarHBondContact O-N 3.19Å; S951-V954 PolarHBondContact O-N 3.3Å; S951-V955 WeakPolarHBondContact O-CB 3.36Å; S951-V955 VanDerWaalsContact O-CG2 3.27Å; S951-V955 WeakPolarHBondContact O-CG2 3.33Å; S951-V955 PolarHBondContact O-N 2.98Å
952Y92.1Very high84.5Confident1 Ų137 Ų370%0.00420%0.196CC..Hα-helixtrans-63.1-48.1175.5175.2-99.3000111.2F846 L911 V914 F948 F949 I950 V954 V955 I956F846-Y952 HydrophobicContact CB-CD2 3.75Å; F846-Y952 HydrophobicContact CB-CE2 4.1Å; F846-Y952 AromaticContact CD1-CD2 3.95Å; F846-Y952 HydrophobicContact CD1-CD2 3.95Å; F846-Y952 AromaticContact CD2-CD2 3.92Å; F846-Y952 HydrophobicContact CD2-CD2 3.92Å; F846-Y952 HydrophobicContact CD2-CE2 4.49Å; F846-Y952 HydrophobicContact CE2-CD2 4.49Å; F846-Y952 AromaticContact CG-CD2 3.63Å; F846-Y952 HydrophobicContact CG-CD2 3.63Å; F846-Y952 HydrophobicContact CG-CE2 4.34Å; L911-Y952 VanDerWaalsContact C-OH 3.28Å; L911-Y952 HydrophobicContact CB-CE1 4.29Å; L911-Y952 HydrophobicContact CB-CE2 4.04Å; L911-Y952 HydrophobicContact CD1-CE2 4.12Å; L911-Y952 HydrophobicContact CD2-CD1 4.1Å; L911-Y952 HydrophobicContact CD2-CD2 3.98Å; L911-Y952 HydrophobicContact CD2-CE1 4.08Å; L911-Y952 HydrophobicContact CD2-CE2 3.95Å; L911-Y952 HydrophobicContact CD2-CG 4.05Å; L911-Y952 HydrophobicContact CG-CE2 4.26Å; L911-Y952 VanDerWaalsContact O-CE1 3.24Å; L911-Y952 WeakPolarHBondContact O-CE1 3.27Å; L911-Y952 VanDerWaalsContact O-CZ 3.25Å; L911-Y952 PolarHBondContact O-OH 3.04Å; V914-Y952 HydrophobicContact CB-CD1 4.33Å; V914-Y952 HydrophobicContact CB-CE1 4.07Å; V914-Y952 HydrophobicContact CG1-CD1 3.67Å; V914-Y952 HydrophobicContact CG1-CE1 3.87Å; F948-Y952 WeakPolarHBondContact O-CB 3.42Å; F948-Y952 PolarHBondContact O-N 3.11Å; F949-Y952 PolarHBondContact O-N 3.12Å; I950-Y952 VanDerWaalsContact C-N 3.34Å; I950-Y952 PolarHBondContact O-N 3.1Å; Y952-V954 PolarHBondContact O-N 2.92Å; Y952-V955 PolarHBondContact O-N 3.3Å; Y952-I956 HydrophobicContact CD2-CB 4.5Å; Y952-I956 HydrophobicContact CD2-CG1 3.81Å; Y952-I956 HydrophobicContact CE2-CB 4.12Å; Y952-I956 HydrophobicContact CE2-CG1 3.5Å; Y952-I956 HydrophobicContact CE2-CG2 4.49Å; Y952-I956 WeakPolarHBondContact O-CB 3.42Å; Y952-I956 PolarHBondContact O-N 2.93Å
953I90.5Very high83.9Confident0 Ų035.6 Ų35.60%019%0.192CC..Iπ-helixtrans-58.7-47.2176.1-77.3169000111.2F543 V914 F917 W920 F949 I950 V955 A957 F958F543-I953 HydrophobicContact CE1-CD1 3.98Å; F543-I953 HydrophobicContact CE1-CG2 4.07Å; F543-I953 HydrophobicContact CZ-CB 4.38Å; F543-I953 HydrophobicContact CZ-CG2 3.63Å; V914-I953 HydrophobicContact CG1-CD1 4.25Å; V914-I953 HydrophobicContact CG1-CG1 4.04Å; F917-I953 HydrophobicContact CE1-CB 4.41Å; F917-I953 HydrophobicContact CE1-CG1 4.22Å; F917-I953 HydrophobicContact CE1-CG2 3.52Å; F917-I953 HydrophobicContact CZ-CG2 4.17Å; W920-I953 HydrophobicContact CD2-CD1 3.97Å; W920-I953 HydrophobicContact CE3-CD1 3.98Å; W920-I953 HydrophobicContact CG-CD1 4.41Å; W920-I953 HydrophobicContact CZ3-CD1 4.32Å; F949-I953 WeakPolarHBondContact O-CB 3.43Å; F949-I953 WeakPolarHBondContact O-CG1 3.38Å; F949-I953 PolarHBondContact O-N 3.42Å; I950-I953 PolarHBondContact O-N 2.82Å; I953-V955 PolarHBondContact O-N 3.29Å; I953-A957 WeakPolarHBondContact O-CA 3.4Å; I953-A957 WeakPolarHBondContact O-CB 3.4Å; I953-A957 PolarHBondContact O-N 2.96Å; I953-F958 HydrophobicContact CG2-CD2 3.75Å; I953-F958 HydrophobicContact CG2-CE2 3.64Å; I953-F958 PolarHBondContact O-N 3.4Å
954V83.9Confident83.2Confident48 Ų4833.5 Ų33.529%0.29118%0.181SC..Iπ-helixtrans-64.5-39-179.7173.30000112.1I950 S951 Y952 F958 F959I950-V954 HydrophobicContact CG2-CG2 4.27Å; I950-V954 WeakPolarHBondContact O-CB 3.44Å; I950-V954 VanDerWaalsContact O-CG2 3.26Å; I950-V954 WeakPolarHBondContact O-CG2 3.24Å; I950-V954 PolarHBondContact O-N 3.01Å; S951-V954 PolarHBondContact O-N 3.3Å; Y952-V954 PolarHBondContact O-N 2.92Å; V954-F958 HydrophobicContact CG2-CD2 4.38Å; V954-F958 WeakPolarHBondContact O-CB 3.39Å; V954-F959 PolarHBondContact O-N 3.11Å; V954-F959 VanDerWaalsContact O-N 3.11Å
955V82.7Confident82.5Confident48 Ų4829.1 Ų29.129%0.29116%0.155SC..Iπ-helixtrans-80.8-45.9-178.1174.80000112.3F846 S951 Y952 I953 F959 M960F846-V955 HydrophobicContact CE2-CB 4.33Å; F846-V955 HydrophobicContact CE2-CG1 4.17Å; F846-V955 HydrophobicContact CZ-CB 4.41Å; F846-V955 HydrophobicContact CZ-CG2 4.48Å; S951-V955 WeakPolarHBondContact O-CB 3.36Å; S951-V955 VanDerWaalsContact O-CG2 3.27Å; S951-V955 WeakPolarHBondContact O-CG2 3.33Å; S951-V955 PolarHBondContact O-N 2.98Å; Y952-V955 PolarHBondContact O-N 3.3Å; I953-V955 PolarHBondContact O-N 3.29Å; V955-F959 VanDerWaalsContact O-CB 3.32Å; V955-F959 WeakPolarHBondContact O-CB 3.19Å; V955-M960 WeakPolarHBondContact O-CG 3.43Å; V955-M960 PolarHBondContact O-N 3.37Å; V955-M960 VanDerWaalsContact O-N 3.09Å
956I84.7Confident81.6Confident13 Ų1328.1 Ų28.17%0.06715%0.149CC..Iπ-helixtrans-88-59.5-174.2-61.1-59.9000111.2T839 L842 Y952 M960 Q961T839-I956 HydrophobicContact CG2-CD1 4.45Å; T839-I956 HydrophobicContact CG2-CG2 4.44Å; L842-I956 HydrophobicContact CB-CD1 3.73Å; Y952-I956 HydrophobicContact CD2-CB 4.5Å; Y952-I956 HydrophobicContact CD2-CG1 3.81Å; Y952-I956 HydrophobicContact CE2-CB 4.12Å; Y952-I956 HydrophobicContact CE2-CG1 3.5Å; Y952-I956 HydrophobicContact CE2-CG2 4.49Å; Y952-I956 WeakPolarHBondContact O-CB 3.42Å; Y952-I956 PolarHBondContact O-N 2.93Å; I956-M960 HydrophobicContact CD1-CG 4.31Å; I956-M960 WeakPolarHBondContact O-CB 3.35Å; I956-M960 PolarHBondContact O-N 2.75Å; I956-Q961 PolarHBondContact O-N 3.45Å; I956-Q961 VanDerWaalsContact O-N 3.12Å
957A77.8Confident80.6Confident3 Ų330 Ų303%0.02516%0.156CC..Iπ-helixtrans-73.7-40.8-17300000112F917 I953 Q961F917-A957 HydrophobicContact CE1-CB 3.75Å; F917-A957 HydrophobicContact CE2-CB 3.89Å; F917-A957 HydrophobicContact CZ-CB 3.31Å; I953-A957 WeakPolarHBondContact O-CA 3.4Å; I953-A957 WeakPolarHBondContact O-CB 3.4Å; I953-A957 PolarHBondContact O-N 2.96Å; A957-Q961 VanDerWaalsContact O-CB 3.28Å; A957-Q961 WeakPolarHBondContact O-CB 3.44Å
958F76Confident79.7Confident43 Ų4324.6 Ų24.619%0.18913%0.128CC..Iπ-helixtrans-84.9-44.8176.7-74.3-66.9000113.6F543 L587 F917 I953 V954 N962F543-F958 HydrophobicContact CE2-CE2 4.5Å; F543-F958 HydrophobicContact CZ-CE2 4.37Å; L587-F958 HydrophobicContact CD1-CE1 4.05Å; L587-F958 HydrophobicContact CD1-CZ 4.02Å; L587-F958 HydrophobicContact CD2-CD1 4.4Å; L587-F958 HydrophobicContact CD2-CE1 3.61Å; L587-F958 HydrophobicContact CD2-CZ 3.81Å; L587-F958 HydrophobicContact CG-CE1 4.32Å; F917-F958 HydrophobicContact CZ-CE2 4.2Å; F917-F958 HydrophobicContact CZ-CZ 4.22Å; I953-F958 HydrophobicContact CG2-CD2 3.75Å; I953-F958 HydrophobicContact CG2-CE2 3.64Å; I953-F958 PolarHBondContact O-N 3.4Å; V954-F958 HydrophobicContact CG2-CD2 4.38Å; V954-F958 WeakPolarHBondContact O-CB 3.39Å; F958-N962 VanDerWaalsContact O-CB 3.22Å; F958-N962 WeakPolarHBondContact O-CB 3.39Å; F958-N962 PolarHBondContact O-ND2 3.17Å; F958-N962 PolarHBondContact O-OD1 3.34Å
959F74.7Confident78.7Confident26 Ų2624.4 Ų24.411%0.11413%0.128CC..Iπ-helixtrans-88.3-52.9-172.6-166.5-126.6000112.8L486 I493 I594 V954 V955 N962 I963L486-F959 HydrophobicContact CB-CE1 3.87Å; L486-F959 HydrophobicContact CB-CZ 3.98Å; L486-F959 HydrophobicContact CD1-CE1 3.87Å; L486-F959 HydrophobicContact CD2-CD1 4.12Å; L486-F959 HydrophobicContact CD2-CE1 3.13Å; L486-F959 HydrophobicContact CD2-CE2 4.37Å; L486-F959 HydrophobicContact CD2-CZ 3.28Å; L486-F959 HydrophobicContact CG-CE1 3.74Å; L486-F959 HydrophobicContact CG-CZ 4.08Å; I493-F959 HydrophobicContact CD1-CD2 4.2Å; I493-F959 HydrophobicContact CD1-CE2 3.42Å; I493-F959 VanDerWaalsContact CD1-CE2 3.42Å; I493-F959 HydrophobicContact CD1-CZ 4.19Å; I594-F959 HydrophobicContact CD1-CD2 4.41Å; I594-F959 HydrophobicContact CG2-CD2 4.18Å; I594-F959 HydrophobicContact CG2-CE2 4.06Å; V954-F959 PolarHBondContact O-N 3.11Å; V954-F959 VanDerWaalsContact O-N 3.11Å; V955-F959 VanDerWaalsContact O-CB 3.32Å; V955-F959 WeakPolarHBondContact O-CB 3.19Å; F959-N962 PolarHBondContact O-N 3.24Å; F959-I963 HydrophobicContact CD1-CD1 3.9Å; F959-I963 HydrophobicContact CD2-CD1 4.23Å; F959-I963 HydrophobicContact CE1-CD1 3.89Å; F959-I963 HydrophobicContact CE2-CD1 4.13Å; F959-I963 HydrophobicContact CG-CD1 4.11Å; F959-I963 HydrophobicContact CZ-CD1 4Å; F959-I963 WeakPolarHBondContact O-CD1 3.44Å; F959-I963 VanDerWaalsContact O-CG1 3.29Å; F959-I963 WeakPolarHBondContact O-CG1 3.32Å; F959-I963 PolarHBondContact O-N 3.08Å; F959-I963 VanDerWaalsContact O-N 3.08Å
960M73.5Confident77.5Confident4 Ų424.6 Ų24.62%0.0213%0.129CC..Iπ-helixtrans-70.6-41.4-174.8-69-70153.700113.5L486 T839 L842 V955 I956 N962 I963 F964L486-M960 HydrophobicContact CD1-CE 3.77Å; T839-M960 HydrophobicContact CG2-CB 3.95Å; T839-M960 HydrophobicContact CG2-CG 4.41Å; L842-M960 HydrophobicContact CD1-CE 3.25Å; L842-M960 HydrophobicContact CD1-CG 4.07Å; L842-M960 HydrophobicContact CD1-SD 3.86Å; V955-M960 WeakPolarHBondContact O-CG 3.43Å; V955-M960 PolarHBondContact O-N 3.37Å; V955-M960 VanDerWaalsContact O-N 3.09Å; I956-M960 HydrophobicContact CD1-CG 4.31Å; I956-M960 WeakPolarHBondContact O-CB 3.35Å; I956-M960 PolarHBondContact O-N 2.75Å; M960-N962 VanDerWaalsContact C-N 3.29Å; M960-N962 PolarHBondContact O-N 3.4Å; M960-I963 PolarHBondContact O-N 2.89Å; M960-I963 HydrophobicContact SD-CD1 4.41Å; M960-F964 PolarHBondContact O-N 2.84Å
961Q72.9Confident76.4Confident90 Ų9023.4 Ų23.442%0.42112%0.123SC..Hα-helixtrans-64.4-35.1176.1-166.5172.9-8.100111.7I956 A957 F964 V965I956-Q961 PolarHBondContact O-N 3.45Å; I956-Q961 VanDerWaalsContact O-N 3.12Å; A957-Q961 VanDerWaalsContact O-CB 3.28Å; A957-Q961 WeakPolarHBondContact O-CB 3.44Å; Q961-F964 WeakPolarHBondContact O-CB 3.48Å; Q961-F964 PolarHBondContact O-N 2.98Å; Q961-V965 WeakPolarHBondContact O-CG2 3.47Å; Q961-V965 PolarHBondContact O-N 3.38Å
962N73Confident75.5Confident12 Ų1223.7 Ų23.76%0.06412%0.119CC..Hα-helixtrans-70.5-38.5178-64.35.8000111.9F591 F958 F959 M960 F964 V965 G966F591-N962 HydrophobicContact CD2-CB 3.77Å; F591-N962 WeakPolarHBondContact CD2-ND2 3.26Å; F591-N962 WeakPolarHBondContact CD2-OD1 3.45Å; F591-N962 HydrophobicContact CE2-CB 3.76Å; F591-N962 WeakPolarHBondContact CE2-OD1 3.45Å; F958-N962 VanDerWaalsContact O-CB 3.22Å; F958-N962 WeakPolarHBondContact O-CB 3.39Å; F958-N962 PolarHBondContact O-ND2 3.17Å; F958-N962 PolarHBondContact O-OD1 3.34Å; F959-N962 PolarHBondContact O-N 3.24Å; M960-N962 VanDerWaalsContact C-N 3.29Å; M960-N962 PolarHBondContact O-N 3.4Å; N962-F964 VanDerWaalsContact C-N 3.31Å; N962-V965 PolarHBondContact O-N 3.06Å; N962-G966 PolarHBondContact O-N 3.14Å
963I73Confident74.3Confident14 Ų1424.7 Ų24.77%0.07212%0.124CC..Hα-helixtrans-62.3-42.4172.1-69.1159.1000110.4L486 N598 I835 F959 M960 G966 F967L486-I963 HydrophobicContact CD2-CD1 3.25Å; L486-I963 HydrophobicContact CD2-CG1 4.43Å; N598-I963 WeakPolarHBondContact ND2-CG1 3.2Å; I835-I963 HydrophobicContact CD1-CG2 4.18Å; I835-I963 HydrophobicContact CG2-CG2 4.19Å; F959-I963 HydrophobicContact CD1-CD1 3.9Å; F959-I963 HydrophobicContact CD2-CD1 4.23Å; F959-I963 HydrophobicContact CE1-CD1 3.89Å; F959-I963 HydrophobicContact CE2-CD1 4.13Å; F959-I963 HydrophobicContact CG-CD1 4.11Å; F959-I963 HydrophobicContact CZ-CD1 4Å; F959-I963 WeakPolarHBondContact O-CD1 3.44Å; F959-I963 VanDerWaalsContact O-CG1 3.29Å; F959-I963 WeakPolarHBondContact O-CG1 3.32Å; F959-I963 PolarHBondContact O-N 3.08Å; F959-I963 VanDerWaalsContact O-N 3.08Å; M960-I963 PolarHBondContact O-N 2.89Å; M960-I963 HydrophobicContact SD-CD1 4.41Å; I963-G966 PolarHBondContact O-N 3.36Å; I963-F967 WeakPolarHBondContact O-CB 3.18Å; I963-F967 PolarHBondContact O-N 3.47Å
964F73.5Confident73.2Confident39 Ų3927.7 Ų27.717%0.17114%0.14CC..Hα-helixtrans-57.5-50.7175.7176-82.4000111.3I832 M960 Q961 N962 F967 V968 I1261I832-F964 HydrophobicContact CD1-CE2 4.36Å; I832-F964 HydrophobicContact CD1-CZ 4.32Å; I832-F964 HydrophobicContact CG2-CD2 3.4Å; I832-F964 HydrophobicContact CG2-CE2 3.26Å; I832-F964 HydrophobicContact CG2-CG 4.5Å; I832-F964 HydrophobicContact CG2-CZ 4.24Å; M960-F964 PolarHBondContact O-N 2.84Å; Q961-F964 WeakPolarHBondContact O-CB 3.48Å; Q961-F964 PolarHBondContact O-N 2.98Å; N962-F964 VanDerWaalsContact C-N 3.31Å; F964-F967 PolarHBondContact O-N 2.88Å; F964-V968 HydrophobicContact CD1-CG2 4.28Å; F964-V968 HydrophobicContact CE1-CG2 4.03Å; F964-V968 VanDerWaalsContact O-CG2 3.31Å; F964-V968 WeakPolarHBondContact O-CG2 3.44Å; F964-V968 PolarHBondContact O-N 2.64Å; F964-I1261 HydrophobicContact CD1-CD1 4.47Å; F964-I1261 HydrophobicContact CE1-CD1 4.12Å
965V72.5Confident72.4Confident22 Ų2229.3 Ų29.313%0.13314%0.144CC..Hα-helixtrans-64.7-41.7178.7178.60000111.5F591 Q961 N962 F967 V968 I969 I1261F591-V965 HydrophobicContact CE2-CB 4.32Å; F591-V965 HydrophobicContact CE2-CG2 4.5Å; F591-V965 HydrophobicContact CZ-CB 3.81Å; F591-V965 HydrophobicContact CZ-CG1 3.72Å; F591-V965 HydrophobicContact CZ-CG2 4.33Å; Q961-V965 WeakPolarHBondContact O-CG2 3.47Å; Q961-V965 PolarHBondContact O-N 3.38Å; N962-V965 PolarHBondContact O-N 3.06Å; V965-F967 VanDerWaalsContact C-N 3.34Å; V965-F967 PolarHBondContact O-N 3.46Å; V965-V968 PolarHBondContact O-N 3.35Å; V965-I969 HydrophobicContact CG1-CD1 4.04Å; V965-I969 WeakPolarHBondContact O-CG1 3.31Å; V965-I969 PolarHBondContact O-N 2.86Å; V965-I1261 HydrophobicContact CG1-CG2 4.38Å; V965-I1261 HydrophobicContact CG2-CD1 4.06Å; V965-I1261 HydrophobicContact CG2-CG1 4.49Å; V965-I1261 HydrophobicContact CG2-CG2 4.22Å
966G70.3Confident71.5Confident1 Ų128.5 Ų28.51%0.0115%0.146CC..Hα-helixtrans-56.5-47.617500000112L599 N962 I963 V968 I969 V970L599-G966 VanDerWaalsContact CD2-C 3.46Å; L599-G966 WeakPolarHBondContact CD2-O 3.47Å; N962-G966 PolarHBondContact O-N 3.14Å; I963-G966 PolarHBondContact O-N 3.36Å; G966-V968 PolarHBondContact O-N 2.96Å; G966-I969 WeakPolarHBondContact O-CA 3.46Å; G966-I969 WeakPolarHBondContact O-CB 3.45Å; G966-I969 PolarHBondContact O-N 2.99Å; G966-I969 VanDerWaalsContact O-N 3.1Å; G966-V970 WeakPolarHBondContact O-CG2 3.35Å; G966-V970 PolarHBondContact O-N 3.37Å
967F69.9Low70.6Confident47 Ų4733.2 Ų33.221%0.20617%0.168CC..Hα-helixtrans-67-33.9179.6-169.6-91.9000113.4T831 I832 I835 I963 F964 V965 I969 V970 T971T831-F967 VanDerWaalsContact C-CE1 3.41Å; T831-F967 VanDerWaalsContact CB-CE1 3.47Å; T831-F967 WeakPolarHBondContact O-CE1 3.27Å; T831-F967 WeakPolarHBondContact OG1-CE1 3.25Å; I832-F967 HydrophobicContact CG1-CD1 3.74Å; I832-F967 HydrophobicContact CG1-CE1 4.11Å; I835-F967 HydrophobicContact CD1-CB 3.63Å; I835-F967 HydrophobicContact CD1-CD1 3.99Å; I835-F967 HydrophobicContact CD1-CD2 3.79Å; I835-F967 HydrophobicContact CD1-CE2 4.44Å; I835-F967 HydrophobicContact CD1-CG 3.52Å; I963-F967 WeakPolarHBondContact O-CB 3.18Å; I963-F967 PolarHBondContact O-N 3.47Å; F964-F967 PolarHBondContact O-N 2.88Å; V965-F967 VanDerWaalsContact C-N 3.34Å; V965-F967 PolarHBondContact O-N 3.46Å; F967-I969 VanDerWaalsContact C-N 3.35Å; F967-V970 PolarHBondContact O-N 2.69Å; F967-T971 WeakPolarHBondContact O-CB 3.13Å; F967-T971 PolarHBondContact O-N 3.04Å; F967-T971 PolarHBondContact O-OG1 3.01Å
968V71.4Confident70.1Confident0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-61.1-45.5169.9176.80000109.9I832 F964 V965 G966 V970 T971 F972 I1261 V1265I832-V968 HydrophobicContact CD1-CG2 3.53Å; I832-V968 HydrophobicContact CG1-CG2 4.29Å; F964-V968 HydrophobicContact CD1-CG2 4.28Å; F964-V968 HydrophobicContact CE1-CG2 4.03Å; F964-V968 VanDerWaalsContact O-CG2 3.31Å; F964-V968 WeakPolarHBondContact O-CG2 3.44Å; F964-V968 PolarHBondContact O-N 2.64Å; V965-V968 PolarHBondContact O-N 3.35Å; G966-V968 PolarHBondContact O-N 2.96Å; V968-V970 PolarHBondContact O-N 3.1Å; V968-T971 PolarHBondContact O-N 2.83Å; V968-F972 HydrophobicContact CG1-CD2 3.69Å; V968-F972 HydrophobicContact CG1-CE2 3.8Å; V968-F972 WeakPolarHBondContact O-CD2 3.46Å; V968-F972 PolarHBondContact O-N 3.45Å; V968-I1261 HydrophobicContact CG1-CG2 4.34Å; V968-V1265 HydrophobicContact CG1-CB 4.32Å; V968-V1265 HydrophobicContact CG1-CG1 4.38Å; V968-V1265 HydrophobicContact CG1-CG2 3.92Å
969I69.9Low69.4Low15 Ų1545 Ų458%0.07722%0.217CC..Hα-helixtrans-58.4-48.1176.5-65.8164.5000111L599 V965 G966 F967 T971 F972 Q973 V1265L599-I969 HydrophobicContact CD1-CG2 4.32Å; V965-I969 HydrophobicContact CG1-CD1 4.04Å; V965-I969 WeakPolarHBondContact O-CG1 3.31Å; V965-I969 PolarHBondContact O-N 2.86Å; G966-I969 WeakPolarHBondContact O-CA 3.46Å; G966-I969 WeakPolarHBondContact O-CB 3.45Å; G966-I969 PolarHBondContact O-N 2.99Å; G966-I969 VanDerWaalsContact O-N 3.1Å; F967-I969 VanDerWaalsContact C-N 3.35Å; I969-T971 VanDerWaalsContact C-N 3.34Å; I969-T971 PolarHBondContact O-N 3.5Å; I969-F972 PolarHBondContact O-N 3.39Å; I969-Q973 HydrophobicContact CG2-CG 4.23Å; I969-Q973 WeakPolarHBondContact O-CB 3.49Å; I969-Q973 WeakPolarHBondContact O-CG 3.46Å; I969-Q973 PolarHBondContact O-N 3.29Å; I969-V1265 HydrophobicContact CB-CG1 4.5Å; I969-V1265 HydrophobicContact CG1-CB 4.49Å; I969-V1265 HydrophobicContact CG1-CG1 4.08Å; I969-V1265 HydrophobicContact CG1-CG2 3.63Å
970V66.9Low68.7Low4 Ų447.8 Ų47.82%0.02423%0.227CC..Hα-helixtrans-59.5-45.7176.5-176.90000111.3L599 G966 F967 V968 F972 Q973 N974L599-V970 HydrophobicContact CB-CG2 3.75Å; L599-V970 HydrophobicContact CD1-CG2 4.49Å; L599-V970 HydrophobicContact CD2-CB 4.45Å; L599-V970 HydrophobicContact CD2-CG2 3.11Å; L599-V970 HydrophobicContact CG-CG2 3.85Å; G966-V970 WeakPolarHBondContact O-CG2 3.35Å; G966-V970 PolarHBondContact O-N 3.37Å; F967-V970 PolarHBondContact O-N 2.69Å; V968-V970 PolarHBondContact O-N 3.1Å; V970-F972 VanDerWaalsContact C-N 3.28Å; V970-F972 PolarHBondContact O-N 3.22Å; V970-Q973 PolarHBondContact O-N 3.48Å; V970-N974 WeakPolarHBondContact CG1-ND2 3.44Å; V970-N974 WeakPolarHBondContact O-CB 3.42Å; V970-N974 VanDerWaalsContact O-CG 3.3Å; V970-N974 PolarHBondContact O-N 3.25Å
971T67.7Low68.1Low18 Ų1854.5 Ų54.511%0.1126%0.258CS..Hα-helixtrans-61.2-42.1-177.3-57.10000110.4F967 V968 I969 E975F967-T971 WeakPolarHBondContact O-CB 3.13Å; F967-T971 PolarHBondContact O-N 3.04Å; F967-T971 PolarHBondContact O-OG1 3.01Å; V968-T971 PolarHBondContact O-N 2.83Å; I969-T971 VanDerWaalsContact C-N 3.34Å; I969-T971 PolarHBondContact O-N 3.5Å; T971-E975 WeakPolarHBondContact O-CB 3.47Å; T971-E975 VanDerWaalsContact O-CG 3.3Å; T971-E975 WeakPolarHBondContact O-CG 3.48Å; T971-E975 PolarHBondContact O-N 3.32Å; T971-E975 VanDerWaalsContact O-N 3.08Å
972F68Low67.5Low49 Ų4958.4 Ų58.422%0.21528%0.276CS..Hα-helixtrans-72.6-34.5175.8-85.9-79.4000113.4V968 I969 V970 G976 N1262 V1265 M1269V968-F972 HydrophobicContact CG1-CD2 3.69Å; V968-F972 HydrophobicContact CG1-CE2 3.8Å; V968-F972 WeakPolarHBondContact O-CD2 3.46Å; V968-F972 PolarHBondContact O-N 3.45Å; I969-F972 PolarHBondContact O-N 3.39Å; V970-F972 VanDerWaalsContact C-N 3.28Å; V970-F972 PolarHBondContact O-N 3.22Å; F972-G976 PolarHBondContact O-N 2.89Å; F972-N1262 HydrophobicContact CE2-CB 4.48Å; F972-N1262 HydrophobicContact CZ-CB 4.48Å; F972-V1265 HydrophobicContact CB-CG1 3.66Å; F972-V1265 HydrophobicContact CD2-CB 4.39Å; F972-V1265 HydrophobicContact CD2-CG1 3.71Å; F972-V1265 HydrophobicContact CG-CG1 3.84Å; F972-M1269 HydrophobicContact CB-CG 4.32Å
973Q67.5Low67.1Low22 Ų2260.1 Ų60.110%0.10329%0.289CS..Hα-helixtrans-62.1-51172.6-79.7178.5-28.500110.9I969 V970 E975 G976 E977 M1269I969-Q973 HydrophobicContact CG2-CG 4.23Å; I969-Q973 WeakPolarHBondContact O-CB 3.49Å; I969-Q973 WeakPolarHBondContact O-CG 3.46Å; I969-Q973 PolarHBondContact O-N 3.29Å; V970-Q973 PolarHBondContact O-N 3.48Å; Q973-E975 VanDerWaalsContact C-N 3.34Å; Q973-E975 PolarHBondContact O-N 3.01Å; Q973-G976 CarbonylContact O-C 3.35Å; Q973-G976 WeakPolarHBondContact O-CA 3.31Å; Q973-G976 PolarHBondContact O-N 2.85Å; Q973-E977 WeakPolarHBondContact O-CB 3.43Å; Q973-E977 WeakPolarHBondContact O-CG 3.18Å; Q973-E977 PolarHBondContact O-N 3.48Å; Q973-M1269 HydrophobicContact CB-CE 4.24Å; Q973-M1269 HydrophobicContact CB-SD 4.37Å; Q973-M1269 HydrophobicContact CG-CE 3.66Å; Q973-M1269 HydrophobicContact CG-SD 3.31Å; Q973-M1269 WeakPolarHBondContact CG-SD 3.24Å
974N68.4Low67.1Low64 Ų6465.1 Ų65.134%0.34231%0.312SS..Hα-helixtrans-61.2-41.4178.5-70.4-6.6000111.8V970 G976 E977 R978V970-N974 WeakPolarHBondContact CG1-ND2 3.44Å; V970-N974 WeakPolarHBondContact O-CB 3.42Å; V970-N974 VanDerWaalsContact O-CG 3.3Å; V970-N974 PolarHBondContact O-N 3.25Å; N974-G976 VanDerWaalsContact C-N 3.3Å; N974-G976 PolarHBondContact O-N 3.18Å; N974-E977 PolarHBondContact O-N 3.26Å; N974-R978 WeakPolarHBondContact O-CB 3.47Å; N974-R978 WeakPolarHBondContact O-CG 3.3Å; N974-R978 PolarHBondContact O-N 2.96Å
975E65.6Low67.2Low81 Ų8163.9 Ų63.938%0.37931%0.307SS..Hα-helixtrans-66.8-30.8174.2-70.4-67157.700112.6T971 Q973 R978T971-E975 WeakPolarHBondContact O-CB 3.47Å; T971-E975 VanDerWaalsContact O-CG 3.3Å; T971-E975 WeakPolarHBondContact O-CG 3.48Å; T971-E975 PolarHBondContact O-N 3.32Å; T971-E975 VanDerWaalsContact O-N 3.08Å; Q973-E975 VanDerWaalsContact C-N 3.34Å; Q973-E975 PolarHBondContact O-N 3.01Å; E975-R978 VanDerWaalsContact CD-NH1 3.3Å; E975-R978 IonicContact OE1-CZ 3.7Å; E975-R978 IonicContact OE1-NH1 2.79Å; E975-R978 PolarHBondContact OE1-NH1 3.29Å; E975-R978 IonicContact OE2-NH1 3.73Å; E975-R978 PolarHBondContact OE2-NH1 3.22Å
976G64.7Low67.3Low31 Ų3167.2 Ų67.232%0.3232%0.324SS..Hα-helixtrans-77.4-34.8174.400000114.2F972 Q973 N974F972-G976 PolarHBondContact O-N 2.89Å; Q973-G976 CarbonylContact O-C 3.35Å; Q973-G976 WeakPolarHBondContact O-CA 3.31Å; Q973-G976 PolarHBondContact O-N 2.85Å; N974-G976 VanDerWaalsContact C-N 3.3Å; N974-G976 PolarHBondContact O-N 3.18Å
977E65.2Low67.6Low112 Ų11270.5 Ų70.552%0.52334%0.338SS..Hα-helixtrans-80.4-26.1-179-72.7-172.9176.500112.9Q973 N974 E979 Y980 E981Q973-E977 WeakPolarHBondContact O-CB 3.43Å; Q973-E977 WeakPolarHBondContact O-CG 3.18Å; Q973-E977 PolarHBondContact O-N 3.48Å; N974-E977 PolarHBondContact O-N 3.26Å; E977-E979 PolarHBondContact O-N 3.28Å; E977-Y980 WeakPolarHBondContact O-CA 3.39Å; E977-Y980 PolarHBondContact O-N 2.79Å; E977-E981 PolarHBondContact O-N 3.47Å
978R66.7Low68Low143 Ų14371.3 Ų71.354%0.5434%0.344SS..THydrogen-bonded Turntrans-54.9-23.1172.3-85.5174.6-175.7171.710.1114N974 E975 Y980N974-R978 WeakPolarHBondContact O-CB 3.47Å; N974-R978 WeakPolarHBondContact O-CG 3.3Å; N974-R978 PolarHBondContact O-N 2.96Å; E975-R978 VanDerWaalsContact CD-NH1 3.3Å; E975-R978 IonicContact OE1-CZ 3.7Å; E975-R978 IonicContact OE1-NH1 2.79Å; E975-R978 PolarHBondContact OE1-NH1 3.29Å; E975-R978 IonicContact OE2-NH1 3.73Å; E975-R978 PolarHBondContact OE2-NH1 3.22Å; R978-Y980 PolarHBondContact O-N 3.33Å
979E61.9Low68.7Low152 Ų15273.4 Ų73.471%0.7135%0.354SS*.THydrogen-bonded Turntrans-71.4-16.6173.2-66.4-162.816600113.5E977E977-E979 PolarHBondContact O-N 3.28Å
980Y60.9Low69.4Low84 Ų8475.7 Ų75.733%0.32936%0.362SS..THydrogen-bonded Turntrans-112.8-17.3-171.8-63-80.4000115.4E977 R978 H982 C983 R990E977-Y980 WeakPolarHBondContact O-CA 3.39Å; E977-Y980 PolarHBondContact O-N 2.79Å; R978-Y980 PolarHBondContact O-N 3.33Å; Y980-H982 PolarHBondContact O-N 3.15Å; Y980-C983 PolarHBondContact O-N 3.09Å; Y980-R990 VanDerWaalsContact CE1-NH1 3.3Å
981E60.5Low70.1Confident144 Ų14477.6 Ų77.667%0.67337%0.37SS*.THydrogen-bonded Turntrans-52.5-21.1-176.7-85.1-176.115200114.7E977E977-E981 PolarHBondContact O-N 3.47Å
982H59.8Low71Confident172 Ų17276.8 Ų76.880%0.79637%0.365SS*.THydrogen-bonded Turntrans-112.317-176.7-54.1-33.4000114.4Y980Y980-H982 PolarHBondContact O-N 3.15Å
983C64.3Low72Confident49 Ų4974.7 Ų74.733%0.33136%0.356SS..  trans-99.8130.6178.9-77.30000113Y980 L985Y980-C983 PolarHBondContact O-N 3.09Å; C983-L985 VanDerWaalsContact C-N 3.3Å; C983-L985 PolarHBondContact O-N 3.14Å
984E72.8Confident72.9Confident118 Ų11877.4 Ų77.455%0.55137%0.369SS*.SBendtrans-68-20.8178.9-66.5167.4-158.300114.4F1381 R1384E984-F1381 HydrophobicContact CB-CE2 4.3Å; E984-R1384 IonicContact OE1-CZ 3.75Å; E984-R1384 IonicContact OE1-NH1 2.68Å; E984-R1384 PolarHBondContact OE1-NH1 3.44Å; E984-R1384 IonicContact OE1-NH2 3.98Å
985L75.5Confident73.8Confident14 Ų1476.4 Ų76.47%0.07336%0.361CS..SBendtrans-108.2141.7-176.7-93.375.3000111.7C983 Q989 I993 Y1366 F1381C983-L985 VanDerWaalsContact C-N 3.3Å; C983-L985 PolarHBondContact O-N 3.14Å; L985-Q989 HydrophobicContact CB-CB 4.46Å; L985-Q989 HydrophobicContact CD2-CB 4.08Å; L985-Q989 HydrophobicContact CG-CB 4.43Å; L985-I993 HydrophobicContact CD2-CD1 3.41Å; L985-I993 VanDerWaalsContact CD2-CD1 3.41Å; L985-Y1366 HydrophobicContact CD1-CE2 4.03Å; L985-Y1366 WeakPolarHBondContact CD1-OH 3.49Å; L985-F1381 HydrophobicContact CB-CE1 4.21Å; L985-F1381 HydrophobicContact CB-CE2 4.29Å; L985-F1381 HydrophobicContact CB-CZ 3.72Å; L985-F1381 HydrophobicContact CD1-CD1 3.94Å; L985-F1381 HydrophobicContact CD1-CD2 3.8Å; L985-F1381 HydrophobicContact CD1-CE1 3.76Å; L985-F1381 HydrophobicContact CD1-CE2 3.6Å; L985-F1381 HydrophobicContact CD1-CG 3.97Å; L985-F1381 HydrophobicContact CD1-CZ 3.59Å; L985-F1381 HydrophobicContact CD2-CD1 4.16Å; L985-F1381 HydrophobicContact CD2-CE1 3.65Å; L985-F1381 HydrophobicContact CD2-CZ 4.04Å; L985-F1381 HydrophobicContact CG-CE1 4.07Å; L985-F1381 HydrophobicContact CG-CE2 4.42Å; L985-F1381 HydrophobicContact CG-CZ 3.96Å
986D76Confident74.9Confident92 Ų9272.6 Ų72.649%0.49234%0.343SS..  trans-61.8152.6174.3178.533000111.7N988 Q989 R990D986-N988 VanDerWaalsContact C-N 3.25Å; D986-N988 PolarHBondContact O-N 3.12Å; D986-Q989 HydrophobicContact CB-CG 4.23Å; D986-Q989 PolarHBondContact O-N 2.72Å; D986-Q989 VanDerWaalsContact O-N 3.1Å; D986-R990 PolarHBondContact O-N 3.16Å
987K75.7Confident76Confident69 Ų6971.9 Ų71.930%0.333%0.332SS..Hα-helixtrans-53.6-42.3179.2-165.7178.6-158.3179.70111.7R990 K991 D1273K987-R990 PolarHBondContact O-N 3.3Å; K987-K991 WeakPolarHBondContact O-CG 3.37Å; K987-K991 PolarHBondContact O-N 3Å; K987-D1273 WeakPolarHBondContact CE-OD1 3.21Å; K987-D1273 VanDerWaalsContact CE-OD2 3.23Å; K987-D1273 WeakPolarHBondContact CE-OD2 3.36Å; K987-D1273 VanDerWaalsContact NZ-CG 3.32Å; K987-D1273 IonicContact NZ-OD1 2.7Å; K987-D1273 PolarHBondContact NZ-OD1 2.85Å; K987-D1273 IonicContact NZ-OD2 3.77Å; K987-D1273 PolarHBondContact NZ-OD2 3.35Å
988N78.6Confident77Confident64 Ų6471.6 Ų71.634%0.34233%0.334SS..Hα-helixtrans-67.2-42.1178.7-70.2-35.4000112.2D986 K991 C992D986-N988 VanDerWaalsContact C-N 3.25Å; D986-N988 PolarHBondContact O-N 3.12Å; N988-K991 PolarHBondContact O-N 3.33Å; N988-C992 PolarHBondContact O-N 3.05Å; N988-C992 VanDerWaalsContact O-N 3.1Å; N988-C992 PolarHBondContact O-SG 3.47Å; N988-C992 VanDerWaalsContact O-SG 3.41Å
989Q86.4Confident78Confident45 Ų4565.3 Ų65.321%0.2131%0.313CS..Hα-helixtrans-63.2-45.1176.2-64.6176.8-29.100111.1L985 D986 C992 I993 L1363 I1365L985-Q989 HydrophobicContact CB-CB 4.46Å; L985-Q989 HydrophobicContact CD2-CB 4.08Å; L985-Q989 HydrophobicContact CG-CB 4.43Å; D986-Q989 HydrophobicContact CB-CG 4.23Å; D986-Q989 PolarHBondContact O-N 2.72Å; D986-Q989 VanDerWaalsContact O-N 3.1Å; Q989-C992 PolarHBondContact O-N 3.3Å; Q989-I993 WeakPolarHBondContact O-CG1 3.36Å; Q989-I993 PolarHBondContact O-N 3.44Å; Q989-L1363 HydrophobicContact CG-CD1 4.36Å; Q989-I1365 HydrophobicContact CB-CD1 4.17Å; Q989-I1365 HydrophobicContact CB-CG1 4.43Å; Q989-I1365 HydrophobicContact CG-CD1 4.21Å; Q989-I1365 HydrophobicContact CG-CG1 4.06Å
990R83.7Confident79.2Confident62 Ų6266 Ų6623%0.23431%0.313CS..Hα-helixtrans-59.8-47177.8-175.6175.7175.7-179.6-5.3112Y980 D986 K987 I993 E994 W1386Y980-R990 VanDerWaalsContact CE1-NH1 3.3Å; D986-R990 PolarHBondContact O-N 3.16Å; K987-R990 PolarHBondContact O-N 3.3Å; R990-I993 PolarHBondContact O-N 2.84Å; R990-E994 WeakPolarHBondContact O-CB 3.41Å; R990-E994 PolarHBondContact O-N 3.06Å; R990-W1386 HydrophobicContact CG-CH2 3.88Å; R990-W1386 HydrophobicContact CG-CZ2 3.84Å
991K81.9Confident80.5Confident45 Ų4563.5 Ų63.520%0.19631%0.307CS..Hα-helixtrans-62.6-41.7178.1-75176-173.1161.10112.9K987 N988 E994 F995 D1273K987-K991 WeakPolarHBondContact O-CG 3.37Å; K987-K991 PolarHBondContact O-N 3Å; N988-K991 PolarHBondContact O-N 3.33Å; K991-E994 PolarHBondContact O-N 2.94Å; K991-F995 WeakPolarHBondContact O-CB 3.35Å; K991-F995 PolarHBondContact O-N 3.41Å; K991-D1273 WeakPolarHBondContact CE-OD2 3.41Å; K991-D1273 IonicContact NZ-OD1 2.58Å; K991-D1273 PolarHBondContact NZ-OD1 3.13Å; K991-D1273 IonicContact NZ-OD2 3.03Å; K991-D1273 PolarHBondContact NZ-OD2 3.22Å
992C87.7Confident81.6Confident1 Ų162 Ų621%0.00730%0.3CS..Hα-helixtrans-67.3-39.1178.1-72.20000111.9N988 Q989 T996 L1287 V1359 L1363N988-C992 PolarHBondContact O-N 3.05Å; N988-C992 VanDerWaalsContact O-N 3.1Å; N988-C992 PolarHBondContact O-SG 3.47Å; N988-C992 VanDerWaalsContact O-SG 3.41Å; Q989-C992 PolarHBondContact O-N 3.3Å; C992-T996 WeakPolarHBondContact O-CB 3.38Å; C992-T996 PolarHBondContact O-N 2.89Å; C992-T996 PolarHBondContact O-OG1 3.22Å; C992-L1287 HydrophobicContact CB-CD1 4.34Å; C992-V1359 HydrophobicContact CB-CG1 3.67Å; C992-V1359 HydrophobicContact CB-CG2 4.48Å; C992-L1363 HydrophobicContact CB-CD1 3.88Å
993I87.4Confident82.7Confident4 Ų462.6 Ų62.62%0.02130%0.296CS..Hα-helixtrans-64.7-46.8172.7-67.9168.8000110.4L985 Q989 R990 F995 T996 L997 I1365 L1378 I1382 W1386L985-I993 HydrophobicContact CD2-CD1 3.41Å; L985-I993 VanDerWaalsContact CD2-CD1 3.41Å; Q989-I993 WeakPolarHBondContact O-CG1 3.36Å; Q989-I993 PolarHBondContact O-N 3.44Å; R990-I993 PolarHBondContact O-N 2.84Å; I993-F995 PolarHBondContact O-N 2.92Å; I993-T996 WeakPolarHBondContact O-CB 3.5Å; I993-T996 PolarHBondContact O-N 3.38Å; I993-T996 VanDerWaalsContact O-N 3.11Å; I993-L997 HydrophobicContact CG2-CD1 3.9Å; I993-L997 HydrophobicContact CG2-CG 4.28Å; I993-L997 WeakPolarHBondContact O-CG 3.24Å; I993-L997 PolarHBondContact O-N 2.83Å; I993-I1365 HydrophobicContact CD1-CD1 4.22Å; I993-I1365 HydrophobicContact CG1-CD1 4.42Å; I993-L1378 HydrophobicContact CD1-CD1 4.18Å; I993-I1382 HydrophobicContact CG2-CD1 4.43Å; I993-I1382 HydrophobicContact CG2-CG1 4.35Å; I993-W1386 HydrophobicContact CB-CH2 4.15Å; I993-W1386 HydrophobicContact CG2-CH2 3.72Å; I993-W1386 HydrophobicContact CG2-CZ3 3.75Å
994E87.3Confident83.3Confident79 Ų7965 Ų6537%0.36930%0.298SS..Hα-helixtrans-59-45.7178.2-176.9167.3-163.200112.2R990 K991 T996 L997 N998 W1386R990-E994 WeakPolarHBondContact O-CB 3.41Å; R990-E994 PolarHBondContact O-N 3.06Å; K991-E994 PolarHBondContact O-N 2.94Å; E994-T996 VanDerWaalsContact C-N 3.3Å; E994-T996 PolarHBondContact O-N 3.31Å; E994-L997 PolarHBondContact O-N 2.98Å; E994-N998 WeakPolarHBondContact O-CB 3.37Å; E994-N998 PolarHBondContact O-N 3.39Å; E994-N998 PolarHBondContact O-ND2 3.47Å; E994-W1386 HydrophobicContact CB-CZ2 3.88Å
995F87.6Confident83.7Confident44 Ų4462.4 Ų62.419%0.19328%0.283CS..Hα-helixtrans-58.2-45.5174.1-175.9-83.9000110.7K991 I993 L997 N998 A999 P1284 L1287 E1288 V1291K991-F995 WeakPolarHBondContact O-CB 3.35Å; K991-F995 PolarHBondContact O-N 3.41Å; I993-F995 PolarHBondContact O-N 2.92Å; F995-L997 VanDerWaalsContact C-N 3.32Å; F995-L997 PolarHBondContact O-N 2.9Å; F995-N998 PolarHBondContact O-N 2.7Å; F995-A999 HydrophobicContact CD1-CB 4.15Å; F995-A999 HydrophobicContact CE1-CB 3.9Å; F995-A999 WeakPolarHBondContact O-CA 3.29Å; F995-A999 WeakPolarHBondContact O-CB 3.43Å; F995-A999 PolarHBondContact O-N 2.94Å; F995-P1284 HydrophobicContact CD2-CB 4.05Å; F995-P1284 HydrophobicContact CG-CB 4.5Å; F995-L1287 HydrophobicContact CB-CD1 4.1Å; F995-L1287 HydrophobicContact CD1-CB 3.5Å; F995-L1287 HydrophobicContact CD1-CD1 3.49Å; F995-L1287 VanDerWaalsContact CD1-CD1 3.49Å; F995-L1287 HydrophobicContact CD1-CG 4.14Å; F995-L1287 HydrophobicContact CE1-CB 3.26Å; F995-L1287 HydrophobicContact CE1-CD1 4.19Å; F995-L1287 HydrophobicContact CE1-CG 4.36Å; F995-L1287 HydrophobicContact CG-CB 4.38Å; F995-L1287 HydrophobicContact CG-CD1 3.97Å; F995-L1287 HydrophobicContact CZ-CB 3.96Å; F995-E1288 HydrophobicContact CE2-CG 3.84Å; F995-E1288 HydrophobicContact CZ-CG 3.75Å; F995-V1291 HydrophobicContact CE1-CG2 4.24Å; F995-V1291 HydrophobicContact CZ-CG2 4.31Å
996T88.4Confident84Confident0 Ų064.7 Ų64.70%030%0.298CS..Hα-helixtrans-62.6-37.9-179.6-58.90000112.9C992 I993 E994 H1352 L1355 I1356C992-T996 WeakPolarHBondContact O-CB 3.38Å; C992-T996 PolarHBondContact O-N 2.89Å; C992-T996 PolarHBondContact O-OG1 3.22Å; I993-T996 WeakPolarHBondContact O-CB 3.5Å; I993-T996 PolarHBondContact O-N 3.38Å; I993-T996 VanDerWaalsContact O-N 3.11Å; E994-T996 VanDerWaalsContact C-N 3.3Å; E994-T996 PolarHBondContact O-N 3.31Å; T996-H1352 PolarHBondContact O-ND1 3.17Å; T996-L1355 HydrophobicContact CG2-CB 4.01Å; T996-L1355 HydrophobicContact CG2-CD2 4.01Å; T996-L1355 HydrophobicContact CG2-CG 3.81Å; T996-I1356 HydrophobicContact CG2-CB 3.76Å; T996-I1356 HydrophobicContact CG2-CG1 4.15Å
997L86.5Confident84.4Confident16 Ų1660.6 Ų60.68%0.08428%0.276CS..Hα-helixtrans-71.7-33.9177.6-67.3173000112.1I993 E994 F995 I1382 W1386 F1393I993-L997 HydrophobicContact CG2-CD1 3.9Å; I993-L997 HydrophobicContact CG2-CG 4.28Å; I993-L997 WeakPolarHBondContact O-CG 3.24Å; I993-L997 PolarHBondContact O-N 2.83Å; E994-L997 PolarHBondContact O-N 2.98Å; F995-L997 VanDerWaalsContact C-N 3.32Å; F995-L997 PolarHBondContact O-N 2.9Å; L997-I1382 HydrophobicContact CD1-CG2 4.15Å; L997-W1386 HydrophobicContact CD1-CD2 3.91Å; L997-W1386 HydrophobicContact CD1-CE3 3.97Å; L997-W1386 HydrophobicContact CD1-CG 4.2Å; L997-W1386 HydrophobicContact CD1-CZ3 4.47Å; L997-F1393 HydrophobicContact CD2-CE1 3.98Å
998N87.1Confident84.7Confident107 Ų10767.5 Ų67.557%0.57231%0.306SS*.Hα-helixtrans-94.4-18.9-176.3-69.1-30.3000114.3E994 F995E994-N998 WeakPolarHBondContact O-CB 3.37Å; E994-N998 PolarHBondContact O-N 3.39Å; E994-N998 PolarHBondContact O-ND2 3.47Å; F995-N998 PolarHBondContact O-N 2.7Å
999A87.3Confident85Confident10 Ų1067.8 Ų67.88%0.08331%0.31CS..  trans-62.5141.4-176.700000111.4F995 F1351 H1352 L1355F995-A999 HydrophobicContact CD1-CB 4.15Å; F995-A999 HydrophobicContact CE1-CB 3.9Å; F995-A999 WeakPolarHBondContact O-CA 3.29Å; F995-A999 WeakPolarHBondContact O-CB 3.43Å; F995-A999 PolarHBondContact O-N 2.94Å; A999-F1351 HydrophobicContact CB-CE1 3.95Å; A999-F1351 HydrophobicContact CB-CZ 4.18Å; A999-H1352 PolarHBondContact O-CE1 3.41Å; A999-H1352 PolarHBondContact O-NE2 3.46Å; A999-L1355 HydrophobicContact CB-CD2 3.97Å
1000K87.4Confident85.1Confident167 Ų16775.2 Ų75.273%0.72634%0.336SS*.  trans-126.2148.3175.5-67.7-178-178.5179.20109.8Q1002K1000-Q1002 PolarHBondContact O-N 2.98Å
1001P88Confident85.2Confident31 Ų3178.4 Ų78.420%0.20136%0.357CS..PPolyproline II helixtrans-61.3128.9173.626.2-33.5000109.7A1301P1001-A1301 HydrophobicContact CB-CB 4Å; P1001-A1301 HydrophobicContact CG-CB 4.16Å
1002Q84.2Confident85.5Confident112 Ų11281.5 Ų81.552%0.52337%0.368SS..PPolyproline II helixtrans-83.7127.9-179.2-172.31763.500110.2K1000 V1291 S1295K1000-Q1002 PolarHBondContact O-N 2.98Å; Q1002-V1291 HydrophobicContact CB-CG1 4.08Å; Q1002-S1295 WeakPolarHBondContact O-CB 3.24Å
1003R82.4Confident85.5Confident185 Ų18585.9 Ų85.970%0.69839%0.385SS*.PPolyproline II helixtrans-77.5131177.3-169.6179-176.1-1803110.6A1301R1003-A1301 HydrophobicContact CB-CB 4.03Å
1004R77.8Confident85.7Confident100 Ų10093 Ų9338%0.37742%0.416SS..  trans-109.5118.2175.2-170.8173.5-179.3174.40.8109.6V1006 E1296 P1299R1004-V1006 HydrophobicContact CG-CG2 4.46Å; R1004-V1006 PolarHBondContact O-N 3.19Å; R1004-E1296 IonicContact NH1-OE1 2.84Å; R1004-P1299 PolarHBondContact N-O 3.02Å; R1004-P1299 VanDerWaalsContact N-O 3.09Å
1005Y80.7Confident85.8Confident64 Ų6491.2 Ų91.225%0.25141%0.408SS..  trans-72116.2176.6179.2-100.2000110.5P1007 W1016 A1075 F1076 T1077 N1080Y1005-P1007 HydrophobicContact CE1-CB 3.98Å; Y1005-P1007 HydrophobicContact CE1-CG 4.41Å; Y1005-W1016 WeakPolarHBondContact O-CZ2 3.36Å; Y1005-W1016 PolarHBondContact O-NE1 3.31Å; Y1005-W1016 VanDerWaalsContact O-NE1 3.13Å; Y1005-A1075 WeakPolarHBondContact CE1-O 3.28Å; Y1005-F1076 HydrophobicContact CD1-CD1 4.13Å; Y1005-T1077 WeakPolarHBondContact OH-CG2 3.42Å; Y1005-N1080 WeakPolarHBondContact CD2-ND2 3.23Å; Y1005-N1080 VanDerWaalsContact CE2-ND2 3.26Å; Y1005-N1080 WeakPolarHBondContact CE2-ND2 3.36Å
1006V82.7Confident86Confident62 Ų6289.9 Ų89.938%0.37640%0.402SS..  trans-119.4116.5172.4-175.40000108.7R1004 Y1013 W1016 P1299R1004-V1006 HydrophobicContact CG-CG2 4.46Å; R1004-V1006 PolarHBondContact O-N 3.19Å; V1006-Y1013 HydrophobicContact CG1-CD2 4.26Å; V1006-Y1013 HydrophobicContact CG1-CE2 4.1Å; V1006-W1016 HydrophobicContact CG2-CH2 4.27Å; V1006-W1016 HydrophobicContact CG2-CZ2 4.27Å; V1006-P1299 HydrophobicContact CG2-CB 4.44Å
1007P83Confident86Confident6 Ų694.3 Ų94.34%0.03943%0.425CS..  trans-70.7139.4-17929.2-36.3000111.6Y1005 R1012 Y1013 W1016Y1005-P1007 HydrophobicContact CE1-CB 3.98Å; Y1005-P1007 HydrophobicContact CE1-CG 4.41Å; P1007-R1012 HydrophobicContact CB-CB 3.87Å; P1007-R1012 HydrophobicContact CG-CB 4.36Å; P1007-Y1013 HydrophobicContact CG-CD2 4.39Å; P1007-W1016 HydrophobicContact CG-CB 3.64Å; P1007-W1016 HydrophobicContact CG-CD2 4.17Å; P1007-W1016 HydrophobicContact CG-CG 3.77Å
1008K81.8Confident86.3Confident213 Ų21398.9 Ų98.993%0.92645%0.445SS*.  trans-80.2-27-179.3-62.7-177.5-180-179.90113.8
1009T86.4Confident86.4Confident70 Ų7094.2 Ų94.243%0.42942%0.42SS..SBendtrans-83.6138.1-174.952.20000111.7L1011 R1012 Y1013T1009-L1011 VanDerWaalsContact C-N 3.34Å; T1009-L1011 PolarHBondContact O-N 3.04Å; T1009-R1012 PolarHBondContact O-N 3.41Å; T1009-R1012 WeakPolarHBondContact OG1-CB 3.34Å; T1009-R1012 WeakPolarHBondContact OG1-CD 3.16Å; T1009-R1012 WeakPolarHBondContact OG1-CG 3.22Å; T1009-Y1013 VanDerWaalsContact O-CB 3.28Å; T1009-Y1013 WeakPolarHBondContact O-CB 3.31Å; T1009-Y1013 PolarHBondContact O-N 3.13Å
1010R87.4Confident86.4Confident201 Ų20196.2 Ų96.276%0.75843%0.431SS*.Hα-helixtrans-57.7-41.8-174.8-70.4-173.7-177.4-179.22.7113.6K1014R1010-K1014 PolarHBondContact O-N 3.45Å; R1010-K1014 VanDerWaalsContact O-N 3.1Å
1011L85.8Confident86.6Confident129 Ų12989.5 Ų89.568%0.67541%0.405SS*.Hα-helixtrans-67.8-50.5-179.4-173.470.9000111.2T1009 Y1013 K1014 I1015T1009-L1011 VanDerWaalsContact C-N 3.34Å; T1009-L1011 PolarHBondContact O-N 3.04Å; L1011-Y1013 VanDerWaalsContact C-N 3.27Å; L1011-Y1013 PolarHBondContact O-N 2.97Å; L1011-K1014 PolarHBondContact O-N 3.21Å; L1011-I1015 HydrophobicContact CG-CD1 4.35Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; L1011-I1015 PolarHBondContact O-N 2.91Å; L1011-I1015 VanDerWaalsContact O-N 3.11Å
1012R88Confident86.6Confident111 Ų11191.4 Ų91.442%0.41942%0.419SS..Hα-helixtrans-62.8-35.5176.3-65.7-174.4-160.8159.33.2111.8P1007 T1009 I1015 W1016P1007-R1012 HydrophobicContact CB-CB 3.87Å; P1007-R1012 HydrophobicContact CG-CB 4.36Å; T1009-R1012 PolarHBondContact O-N 3.41Å; T1009-R1012 WeakPolarHBondContact OG1-CB 3.34Å; T1009-R1012 WeakPolarHBondContact OG1-CD 3.16Å; T1009-R1012 WeakPolarHBondContact OG1-CG 3.22Å; R1012-I1015 PolarHBondContact O-N 2.99Å; R1012-W1016 WeakPolarHBondContact O-CB 3.37Å; R1012-W1016 PolarHBondContact O-N 3.17Å
1013Y87.9Confident86.9Confident93 Ų9395.7 Ų95.737%0.36543%0.432SS..Hα-helixtrans-62-41.5174.7-176.7-90.7000112.6V1006 P1007 T1009 L1011 W1016 L1017V1006-Y1013 HydrophobicContact CG1-CD2 4.26Å; V1006-Y1013 HydrophobicContact CG1-CE2 4.1Å; P1007-Y1013 HydrophobicContact CG-CD2 4.39Å; T1009-Y1013 VanDerWaalsContact O-CB 3.28Å; T1009-Y1013 WeakPolarHBondContact O-CB 3.31Å; T1009-Y1013 PolarHBondContact O-N 3.13Å; L1011-Y1013 VanDerWaalsContact C-N 3.27Å; L1011-Y1013 PolarHBondContact O-N 2.97Å; Y1013-W1016 HydrophobicContact CD2-CE3 4.18Å; Y1013-W1016 HydrophobicContact CD2-CZ3 4.41Å; Y1013-W1016 HydrophobicContact CE2-CE3 4.12Å; Y1013-W1016 AromaticContact CE2-CZ3 3.91Å; Y1013-W1016 HydrophobicContact CE2-CZ3 3.91Å; Y1013-L1017 VanDerWaalsContact O-CB 3.22Å; Y1013-L1017 WeakPolarHBondContact O-CB 3.46Å; Y1013-L1017 PolarHBondContact O-N 2.84Å
1014K91Very high87.3Confident153 Ų15388 Ų8867%0.66540%0.404SS*.Hα-helixtrans-63.2-44.8174.1-75.1-174.2175.6-171.10112R1010 L1011 L1017 F1018R1010-K1014 PolarHBondContact O-N 3.45Å; R1010-K1014 VanDerWaalsContact O-N 3.1Å; L1011-K1014 PolarHBondContact O-N 3.21Å; K1014-L1017 PolarHBondContact O-N 3.5Å; K1014-F1018 PolarHBondContact O-N 3.01Å
1015I90.6Very high87.7Confident42 Ų4287.3 Ų87.322%0.21541%0.405CS..Hα-helixtrans-66.2-45.6178.7-61.9170.9000110.5L1011 R1012 L1017 F1018 V1019 I1074 A1075L1011-I1015 HydrophobicContact CG-CD1 4.35Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; L1011-I1015 PolarHBondContact O-N 2.91Å; L1011-I1015 VanDerWaalsContact O-N 3.11Å; R1012-I1015 PolarHBondContact O-N 2.99Å; I1015-L1017 VanDerWaalsContact C-N 3.33Å; I1015-L1017 PolarHBondContact O-N 2.94Å; I1015-F1018 WeakPolarHBondContact O-CB 3.34Å; I1015-F1018 PolarHBondContact O-N 3.12Å; I1015-F1018 VanDerWaalsContact O-N 3.13Å; I1015-V1019 HydrophobicContact CG2-CG2 4.18Å; I1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; I1015-V1019 PolarHBondContact O-N 2.91Å; I1015-I1074 HydrophobicContact CD1-CG2 3.79Å; I1015-A1075 HydrophobicContact CG2-CB 4.2Å
1016W90.8Very high88.1Confident15 Ų1591.8 Ų91.86%0.05742%0.422CS..Hα-helixtrans-59.3-43.3175.8173.688000111.7Y1005 V1006 P1007 R1012 Y1013 F1018 V1019 T1020 A1075 F1076Y1005-W1016 WeakPolarHBondContact O-CZ2 3.36Å; Y1005-W1016 PolarHBondContact O-NE1 3.31Å; Y1005-W1016 VanDerWaalsContact O-NE1 3.13Å; V1006-W1016 HydrophobicContact CG2-CH2 4.27Å; V1006-W1016 HydrophobicContact CG2-CZ2 4.27Å; P1007-W1016 HydrophobicContact CG-CB 3.64Å; P1007-W1016 HydrophobicContact CG-CD2 4.17Å; P1007-W1016 HydrophobicContact CG-CG 3.77Å; R1012-W1016 WeakPolarHBondContact O-CB 3.37Å; R1012-W1016 PolarHBondContact O-N 3.17Å; Y1013-W1016 HydrophobicContact CD2-CE3 4.18Å; Y1013-W1016 HydrophobicContact CD2-CZ3 4.41Å; Y1013-W1016 HydrophobicContact CE2-CE3 4.12Å; Y1013-W1016 AromaticContact CE2-CZ3 3.91Å; Y1013-W1016 HydrophobicContact CE2-CZ3 3.91Å; W1016-F1018 VanDerWaalsContact C-N 3.29Å; W1016-F1018 PolarHBondContact O-N 3.16Å; W1016-V1019 PolarHBondContact O-N 2.67Å; W1016-T1020 HydrophobicContact CD2-CG2 4.36Å; W1016-T1020 HydrophobicContact CG-CG2 4.44Å; W1016-T1020 HydrophobicContact CZ2-CG2 4.44Å; W1016-T1020 WeakPolarHBondContact O-CB 3.45Å; W1016-T1020 WeakPolarHBondContact O-CG2 3.31Å; W1016-T1020 PolarHBondContact O-N 2.97Å; W1016-T1020 PolarHBondContact O-OG1 3.41Å; W1016-A1075 HydrophobicContact CB-CB 4.27Å; W1016-F1076 AromaticContact CD1-CE1 3.62Å; W1016-F1076 AromaticContact NE1-CE1 3.59Å
1017L89.9Confident88.5Confident93 Ų9390.4 Ų90.449%0.48742%0.421SS..Hα-helixtrans-62.1-37.8175.5-173.770.4000111.9Y1013 K1014 I1015 S1021Y1013-L1017 VanDerWaalsContact O-CB 3.22Å; Y1013-L1017 WeakPolarHBondContact O-CB 3.46Å; Y1013-L1017 PolarHBondContact O-N 2.84Å; K1014-L1017 PolarHBondContact O-N 3.5Å; I1015-L1017 VanDerWaalsContact C-N 3.33Å; I1015-L1017 PolarHBondContact O-N 2.94Å; L1017-S1021 WeakPolarHBondContact O-CB 3.49Å; L1017-S1021 PolarHBondContact O-N 3.44Å
1018F92.4Very high88.9Confident113 Ų11390.5 Ų90.550%0.49642%0.421SS..Hα-helixtrans-68.8-49.9175.4176.2-105.9000112K1014 I1015 W1016 T1020 S1021 F1024K1014-F1018 PolarHBondContact O-N 3.01Å; I1015-F1018 WeakPolarHBondContact O-CB 3.34Å; I1015-F1018 PolarHBondContact O-N 3.12Å; I1015-F1018 VanDerWaalsContact O-N 3.13Å; W1016-F1018 VanDerWaalsContact C-N 3.29Å; W1016-F1018 PolarHBondContact O-N 3.16Å; F1018-T1020 VanDerWaalsContact C-N 3.3Å; F1018-T1020 PolarHBondContact O-N 3.42Å; F1018-S1021 VanDerWaalsContact O-CB 3.29Å; F1018-S1021 WeakPolarHBondContact O-CB 3.37Å; F1018-S1021 PolarHBondContact O-N 3.46Å; F1018-S1021 VanDerWaalsContact O-N 3.08Å; F1018-S1021 PolarHBondContact O-OG 2.99Å; F1018-F1024 HydrophobicContact CD1-CD2 4.11Å; F1018-F1024 AromaticContact CE1-CD2 3.43Å; F1018-F1024 HydrophobicContact CE1-CD2 3.43Å; F1018-F1024 VanDerWaalsContact CE1-CD2 3.43Å; F1018-F1024 AromaticContact CE1-CE2 3.86Å; F1018-F1024 HydrophobicContact CE1-CE2 3.86Å; F1018-F1024 HydrophobicContact CE1-CG 4.35Å; F1018-F1024 AromaticContact CZ-CD2 3.75Å; F1018-F1024 HydrophobicContact CZ-CD2 3.75Å; F1018-F1024 HydrophobicContact CZ-CE2 4.48Å; F1018-F1024 VanDerWaalsContact O-CB 3.26Å; F1018-F1024 WeakPolarHBondContact O-CB 3.32Å
1019V89.7Confident89.2Confident8 Ų882.6 Ų82.65%0.04839%0.388CS..Hα-helixtrans-64.4-33.2-179.3171.50000112.2I1015 W1016 S1021 F1024 L1071 K1072 A1075 F1076I1015-V1019 HydrophobicContact CG2-CG2 4.18Å; I1015-V1019 WeakPolarHBondContact O-CG2 3.43Å; I1015-V1019 PolarHBondContact O-N 2.91Å; W1016-V1019 PolarHBondContact O-N 2.67Å; V1019-S1021 VanDerWaalsContact C-N 3.32Å; V1019-F1024 HydrophobicContact CG1-CD1 4.49Å; V1019-F1024 HydrophobicContact CG1-CE1 4.25Å; V1019-F1024 WeakPolarHBondContact O-CD1 3.42Å; V1019-L1071 HydrophobicContact CG2-CB 4.12Å; V1019-K1072 HydrophobicContact CG1-CG 3.78Å; V1019-A1075 HydrophobicContact CB-CB 4.36Å; V1019-A1075 HydrophobicContact CG2-CB 4.26Å; V1019-F1076 HydrophobicContact CG1-CE2 3.96Å; V1019-F1076 HydrophobicContact CG1-CZ 4.49Å
1020T87.2Confident89.4Confident52 Ų5283.1 Ų83.132%0.31939%0.392SS..THydrogen-bonded Turntrans-87.21.8176.256.80000113.7W1016 F1018 F1076W1016-T1020 HydrophobicContact CD2-CG2 4.36Å; W1016-T1020 HydrophobicContact CG-CG2 4.44Å; W1016-T1020 HydrophobicContact CZ2-CG2 4.44Å; W1016-T1020 WeakPolarHBondContact O-CB 3.45Å; W1016-T1020 WeakPolarHBondContact O-CG2 3.31Å; W1016-T1020 PolarHBondContact O-N 2.97Å; W1016-T1020 PolarHBondContact O-OG1 3.41Å; F1018-T1020 VanDerWaalsContact C-N 3.3Å; F1018-T1020 PolarHBondContact O-N 3.42Å; T1020-F1076 HydrophobicContact CG2-CE1 4.24Å; T1020-F1076 HydrophobicContact CG2-CZ 3.84Å
1021S90.2Very high89.6Confident27 Ų2775.4 Ų75.419%0.18937%0.365CS..SBendtrans-76.9143177.574.60000111.2L1017 F1018 V1019 Y1023 F1024 E1025L1017-S1021 WeakPolarHBondContact O-CB 3.49Å; L1017-S1021 PolarHBondContact O-N 3.44Å; F1018-S1021 VanDerWaalsContact O-CB 3.29Å; F1018-S1021 WeakPolarHBondContact O-CB 3.37Å; F1018-S1021 PolarHBondContact O-N 3.46Å; F1018-S1021 VanDerWaalsContact O-N 3.08Å; F1018-S1021 PolarHBondContact O-OG 2.99Å; V1019-S1021 VanDerWaalsContact C-N 3.32Å; S1021-Y1023 PolarHBondContact O-N 2.79Å; S1021-F1024 PolarHBondContact O-N 3.31Å; S1021-F1024 VanDerWaalsContact O-N 3.17Å; S1021-F1024 PolarHBondContact OG-N 3.27Å; S1021-E1025 PolarHBondContact O-N 3.1Å
1022S87.7Confident89.8Confident70 Ų7069.4 Ų69.449%0.4933%0.333SS..Hα-helixtrans-59.2-29.7174.7-50.60000112.3E1025 Y1026S1022-E1025 PolarHBondContact O-N 3.17Å; S1022-Y1026 WeakPolarHBondContact O-CD2 3.47Å; S1022-Y1026 PolarHBondContact O-N 3.08Å
1023Y91.1Very high89.8Confident203 Ų20368.6 Ų68.680%0.79634%0.337SS*.Hα-helixtrans-63.7-43.5177-59.3-70.3000112.6S1021 E1025 G1027S1021-Y1023 PolarHBondContact O-N 2.79Å; Y1023-E1025 VanDerWaalsContact C-N 3.33Å; Y1023-G1027 PolarHBondContact O-N 3.35Å
1024F91Very high90Very high22 Ų2268.8 Ų68.810%0.09634%0.343CS..Hα-helixtrans-63.6-42.4175.2-179.8-98.5000110.8F1018 V1019 S1021 G1027 I1028 E1068 L1071F1018-F1024 HydrophobicContact CD1-CD2 4.11Å; F1018-F1024 AromaticContact CE1-CD2 3.43Å; F1018-F1024 HydrophobicContact CE1-CD2 3.43Å; F1018-F1024 VanDerWaalsContact CE1-CD2 3.43Å; F1018-F1024 AromaticContact CE1-CE2 3.86Å; F1018-F1024 HydrophobicContact CE1-CE2 3.86Å; F1018-F1024 HydrophobicContact CE1-CG 4.35Å; F1018-F1024 AromaticContact CZ-CD2 3.75Å; F1018-F1024 HydrophobicContact CZ-CD2 3.75Å; F1018-F1024 HydrophobicContact CZ-CE2 4.48Å; F1018-F1024 VanDerWaalsContact O-CB 3.26Å; F1018-F1024 WeakPolarHBondContact O-CB 3.32Å; V1019-F1024 HydrophobicContact CG1-CD1 4.49Å; V1019-F1024 HydrophobicContact CG1-CE1 4.25Å; V1019-F1024 WeakPolarHBondContact O-CD1 3.42Å; S1021-F1024 PolarHBondContact O-N 3.31Å; S1021-F1024 VanDerWaalsContact O-N 3.17Å; S1021-F1024 PolarHBondContact OG-N 3.27Å; F1024-G1027 PolarHBondContact O-N 3Å; F1024-I1028 HydrophobicContact CD1-CG1 4.48Å; F1024-I1028 HydrophobicContact CE1-CG1 4.07Å; F1024-I1028 HydrophobicContact CE2-CG1 4.44Å; F1024-I1028 HydrophobicContact CZ-CD1 4.28Å; F1024-I1028 HydrophobicContact CZ-CG1 4.05Å; F1024-I1028 WeakPolarHBondContact O-CG1 3.5Å; F1024-I1028 PolarHBondContact O-N 3.42Å; F1024-E1068 HydrophobicContact CE1-CG 4.37Å; F1024-E1068 HydrophobicContact CZ-CG 4.08Å; F1024-L1071 HydrophobicContact CE2-CD1 4.25Å
1025E86.1Confident89.9Confident87 Ų8761.5 Ų61.541%0.40731%0.312SS..Hα-helixtrans-61.7-47.6178-71.9-171167.200113.2S1021 S1022 Y1023 G1027 L1029 R1132S1021-E1025 PolarHBondContact O-N 3.1Å; S1022-E1025 PolarHBondContact O-N 3.17Å; Y1023-E1025 VanDerWaalsContact C-N 3.33Å; E1025-G1027 VanDerWaalsContact C-N 3.34Å; E1025-L1029 WeakPolarHBondContact O-CB 3.49Å; E1025-L1029 PolarHBondContact O-N 2.98Å; E1025-L1029 VanDerWaalsContact O-N 3.07Å; E1025-R1132 PolarHBondContact O-NH1 3.1Å
1026Y89.6Confident89.8Confident157 Ų15760.5 Ų60.562%0.61631%0.308SS*.Hα-helixtrans-65.8-35.6175.2-71.3-57.3000112.1S1022 L1029 V1030S1022-Y1026 WeakPolarHBondContact O-CD2 3.47Å; S1022-Y1026 PolarHBondContact O-N 3.08Å; Y1026-L1029 HydrophobicContact CD1-CD2 4.28Å; Y1026-L1029 WeakPolarHBondContact O-CB 3.49Å; Y1026-L1029 PolarHBondContact O-N 3.21Å; Y1026-V1030 WeakPolarHBondContact O-CG2 3.35Å; Y1026-V1030 PolarHBondContact O-N 2.73Å
1027G91.4Very high89.7Confident33 Ų3361.9 Ų61.934%0.3432%0.322SS..Hα-helixtrans-59.4-50.8175.300000112.3Y1023 F1024 E1025 L1029 V1030 I1031Y1023-G1027 PolarHBondContact O-N 3.35Å; F1024-G1027 PolarHBondContact O-N 3Å; E1025-G1027 VanDerWaalsContact C-N 3.34Å; G1027-L1029 VanDerWaalsContact C-N 3.31Å; G1027-L1029 PolarHBondContact O-N 3.47Å; G1027-V1030 PolarHBondContact O-N 3.49Å; G1027-I1031 WeakPolarHBondContact O-CD1 3.44Å; G1027-I1031 WeakPolarHBondContact O-CG1 3.35Å; G1027-I1031 PolarHBondContact O-N 3.21Å; G1027-I1031 VanDerWaalsContact O-N 3.14Å
1028I90.4Very high89.7Confident9 Ų958.2 Ų58.25%0.04630%0.304CS..Hα-helixtrans-62.3-38.6175.6-64.4-60.7000111.5F1024 V1030 I1031 I1032 F1065 E1068F1024-I1028 HydrophobicContact CD1-CG1 4.48Å; F1024-I1028 HydrophobicContact CE1-CG1 4.07Å; F1024-I1028 HydrophobicContact CE2-CG1 4.44Å; F1024-I1028 HydrophobicContact CZ-CD1 4.28Å; F1024-I1028 HydrophobicContact CZ-CG1 4.05Å; F1024-I1028 WeakPolarHBondContact O-CG1 3.5Å; F1024-I1028 PolarHBondContact O-N 3.42Å; I1028-V1030 PolarHBondContact O-N 3.07Å; I1028-I1031 HydrophobicContact CD1-CD1 4.24Å; I1028-I1031 WeakPolarHBondContact O-CB 3.41Å; I1028-I1031 PolarHBondContact O-N 3.42Å; I1028-I1032 HydrophobicContact CG2-CD1 3.9Å; I1028-I1032 HydrophobicContact CG2-CG1 4.39Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.25Å; I1028-I1032 PolarHBondContact O-N 3.28Å; I1028-F1065 HydrophobicContact CG2-CE1 4.48Å; I1028-E1068 HydrophobicContact CD1-CB 4.13Å; I1028-E1068 HydrophobicContact CD1-CG 4.19Å; I1028-E1068 HydrophobicContact CG1-CG 4.44Å; I1028-E1068 WeakPolarHBondContact CG2-OE2 3.29Å
1029L88.2Confident89.5Confident46 Ų4653.1 Ų53.124%0.24128%0.281CS..Hα-helixtrans-58.6-47.8177.3-177.571.2000111.9E1025 Y1026 G1027 I1031 I1032 I1033 L1129E1025-L1029 WeakPolarHBondContact O-CB 3.49Å; E1025-L1029 PolarHBondContact O-N 2.98Å; E1025-L1029 VanDerWaalsContact O-N 3.07Å; Y1026-L1029 HydrophobicContact CD1-CD2 4.28Å; Y1026-L1029 WeakPolarHBondContact O-CB 3.49Å; Y1026-L1029 PolarHBondContact O-N 3.21Å; G1027-L1029 VanDerWaalsContact C-N 3.31Å; G1027-L1029 PolarHBondContact O-N 3.47Å; L1029-I1031 VanDerWaalsContact C-N 3.3Å; L1029-I1031 PolarHBondContact O-N 3.05Å; L1029-I1032 PolarHBondContact O-N 3.29Å; L1029-I1033 HydrophobicContact CG-CD1 4.36Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.38Å; L1029-I1033 PolarHBondContact O-N 3.11Å; L1029-I1033 VanDerWaalsContact O-N 3.08Å; L1029-L1129 HydrophobicContact CD1-CD2 3.31Å; L1029-L1129 HydrophobicContact CG-CD2 4.46Å
1030V90.9Very high89.4Confident82 Ų8253.9 Ų53.950%0.49729%0.288SS..Hα-helixtrans-61.1-40.3177171.70000111.1Y1026 G1027 I1028 I1032 I1033 L1034Y1026-V1030 WeakPolarHBondContact O-CG2 3.35Å; Y1026-V1030 PolarHBondContact O-N 2.73Å; G1027-V1030 PolarHBondContact O-N 3.49Å; I1028-V1030 PolarHBondContact O-N 3.07Å; V1030-I1032 VanDerWaalsContact C-N 3.34Å; V1030-I1032 PolarHBondContact O-N 3.14Å; V1030-I1033 PolarHBondContact O-N 3.07Å; V1030-L1034 HydrophobicContact CG1-CD1 3.98Å; V1030-L1034 WeakPolarHBondContact O-CG 3.39Å; V1030-L1034 PolarHBondContact O-N 2.89Å
1031I92.3Very high89.4Confident38 Ų3856.5 Ų56.520%0.19530%0.299CS..Hα-helixtrans-62.9-39.5176.8-67.6157.5000111.6G1027 I1028 L1029 L1034 N1035 F1061 I1064 F1065G1027-I1031 WeakPolarHBondContact O-CD1 3.44Å; G1027-I1031 WeakPolarHBondContact O-CG1 3.35Å; G1027-I1031 PolarHBondContact O-N 3.21Å; G1027-I1031 VanDerWaalsContact O-N 3.14Å; I1028-I1031 HydrophobicContact CD1-CD1 4.24Å; I1028-I1031 WeakPolarHBondContact O-CB 3.41Å; I1028-I1031 PolarHBondContact O-N 3.42Å; L1029-I1031 VanDerWaalsContact C-N 3.3Å; L1029-I1031 PolarHBondContact O-N 3.05Å; I1031-L1034 PolarHBondContact O-N 3.35Å; I1031-N1035 WeakPolarHBondContact O-CB 3.48Å; I1031-N1035 PolarHBondContact O-N 3.01Å; I1031-F1061 HydrophobicContact CG2-CD1 3.83Å; I1031-F1061 HydrophobicContact CG2-CE1 4.14Å; I1031-I1064 HydrophobicContact CD1-CG2 3.85Å; I1031-I1064 HydrophobicContact CG2-CG2 4.21Å; I1031-F1065 HydrophobicContact CG2-CE1 4.16Å; I1031-F1065 HydrophobicContact CG2-CZ 4Å
1032I89.7Confident89.2Confident3 Ų358.2 Ų58.22%0.01530%0.301CS..Hα-helixtrans-65.6-42.9176.4-63.7160.1000110.9I1028 L1029 V1030 L1034 N1035 T1036 F1065 K1128 L1129I1028-I1032 HydrophobicContact CG2-CD1 3.9Å; I1028-I1032 HydrophobicContact CG2-CG1 4.39Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.25Å; I1028-I1032 PolarHBondContact O-N 3.28Å; L1029-I1032 PolarHBondContact O-N 3.29Å; V1030-I1032 VanDerWaalsContact C-N 3.34Å; V1030-I1032 PolarHBondContact O-N 3.14Å; I1032-L1034 VanDerWaalsContact C-N 3.33Å; I1032-L1034 PolarHBondContact O-N 3.44Å; I1032-N1035 PolarHBondContact O-N 2.88Å; I1032-T1036 PolarHBondContact O-N 3.25Å; I1032-T1036 PolarHBondContact O-OG1 2.93Å; I1032-F1065 HydrophobicContact CG1-CE1 3.74Å; I1032-F1065 HydrophobicContact CG1-CZ 3.78Å; I1032-K1128 HydrophobicContact CD1-CB 3.84Å; I1032-K1128 HydrophobicContact CD1-CD 4.16Å; I1032-L1129 HydrophobicContact CB-CD2 4.05Å; I1032-L1129 HydrophobicContact CG2-CD1 4.05Å; I1032-L1129 HydrophobicContact CG2-CD2 3.69Å; I1032-L1129 HydrophobicContact CG2-CG 3.63Å
1033I88.5Confident89.2Confident95 Ų9558 Ų5849%0.48729%0.292SS..Hα-helixtrans-61.1-44.2176.5-66.2168.7000110.4L1029 V1030 T1036 A1037 L1129L1029-I1033 HydrophobicContact CG-CD1 4.36Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.38Å; L1029-I1033 PolarHBondContact O-N 3.11Å; L1029-I1033 VanDerWaalsContact O-N 3.08Å; V1030-I1033 PolarHBondContact O-N 3.07Å; I1033-T1036 WeakPolarHBondContact O-CB 3.35Å; I1033-T1036 PolarHBondContact O-N 2.78Å; I1033-A1037 PolarHBondContact O-N 3.14Å; I1033-L1129 HydrophobicContact CG1-CD2 4.35Å
1034L91.4Very high88.8Confident96 Ų9650.7 Ų50.750%0.50327%0.265SS..Hα-helixtrans-62.6-43.4175.3-74166.2000112.2V1030 I1031 I1032 T1036 A1037 V1038 F1061V1030-L1034 HydrophobicContact CG1-CD1 3.98Å; V1030-L1034 WeakPolarHBondContact O-CG 3.39Å; V1030-L1034 PolarHBondContact O-N 2.89Å; I1031-L1034 PolarHBondContact O-N 3.35Å; I1032-L1034 VanDerWaalsContact C-N 3.33Å; I1032-L1034 PolarHBondContact O-N 3.44Å; L1034-T1036 VanDerWaalsContact C-N 3.28Å; L1034-T1036 PolarHBondContact O-N 3.29Å; L1034-A1037 PolarHBondContact O-N 3.26Å; L1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; L1034-V1038 PolarHBondContact O-N 3.41Å; L1034-F1061 HydrophobicContact CB-CE1 4.17Å; L1034-F1061 HydrophobicContact CB-CZ 4.15Å
1035N89.5Confident88.3Confident1 Ų156.1 Ų56.11%0.00529%0.29CS..Hα-helixtrans-61.3-39176178.3-120.7000111.8I1031 I1032 V1038 L1039 F1061 R1125I1031-N1035 WeakPolarHBondContact O-CB 3.48Å; I1031-N1035 PolarHBondContact O-N 3.01Å; I1032-N1035 PolarHBondContact O-N 2.88Å; N1035-V1038 PolarHBondContact O-N 3.28Å; N1035-L1039 WeakPolarHBondContact O-CG 3.25Å; N1035-L1039 PolarHBondContact O-N 3.02Å; N1035-F1061 HydrophobicContact CB-CD1 3.92Å; N1035-F1061 HydrophobicContact CB-CD2 4.05Å; N1035-F1061 HydrophobicContact CB-CE1 4.08Å; N1035-F1061 HydrophobicContact CB-CE2 4.21Å; N1035-F1061 HydrophobicContact CB-CG 3.92Å; N1035-F1061 HydrophobicContact CB-CZ 4.22Å; N1035-F1061 WeakPolarHBondContact ND2-CD2 3.44Å; N1035-F1061 WeakPolarHBondContact ND2-CG 2.93Å; N1035-R1125 WeakPolarHBondContact OD1-CD 3.04Å
1036T87.5Confident87.8Confident21 Ų2154 Ų5413%0.12929%0.285CS..Hα-helixtrans-61.8-46175.4-52.70000111.4I137 I1032 I1033 L1034 V1038 L1039 A1040 L1126I137-T1036 HydrophobicContact CG2-CG2 4.41Å; I1032-T1036 PolarHBondContact O-N 3.25Å; I1032-T1036 PolarHBondContact O-OG1 2.93Å; I1033-T1036 WeakPolarHBondContact O-CB 3.35Å; I1033-T1036 PolarHBondContact O-N 2.78Å; L1034-T1036 VanDerWaalsContact C-N 3.28Å; L1034-T1036 PolarHBondContact O-N 3.29Å; T1036-V1038 VanDerWaalsContact C-N 3.29Å; T1036-V1038 PolarHBondContact O-N 3.26Å; T1036-L1039 PolarHBondContact O-N 3.46Å; T1036-A1040 WeakPolarHBondContact O-CB 3.27Å; T1036-A1040 PolarHBondContact O-N 3.43Å; T1036-L1126 HydrophobicContact CG2-CD1 3.38Å; T1036-L1126 WeakPolarHBondContact OG1-CD1 3.46Å
1037A88.9Confident87.6Confident44 Ų4452.4 Ų52.436%0.36429%0.286SS..Hα-helixtrans-61-39.117700000111.7I1033 L1034 A1040 M1041I1033-A1037 PolarHBondContact O-N 3.14Å; L1034-A1037 PolarHBondContact O-N 3.26Å; A1037-A1040 PolarHBondContact O-N 3.38Å; A1037-M1041 WeakPolarHBondContact O-CG 3.47Å; A1037-M1041 PolarHBondContact O-N 3.09Å
1038V90.2Very high87.4Confident16 Ų1655.2 Ų55.210%0.09730%0.299CS..Hα-helixtrans-66.6-42.4176.7171.80000112L1034 N1035 T1036 A1040 M1041 L1054 L1057 F1061L1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; L1034-V1038 PolarHBondContact O-N 3.41Å; N1035-V1038 PolarHBondContact O-N 3.28Å; T1036-V1038 VanDerWaalsContact C-N 3.29Å; T1036-V1038 PolarHBondContact O-N 3.26Å; V1038-A1040 VanDerWaalsContact C-N 3.26Å; V1038-A1040 PolarHBondContact O-N 3.05Å; V1038-M1041 PolarHBondContact O-N 3.42Å; V1038-L1054 HydrophobicContact CG1-CG 4.38Å; V1038-L1054 WeakPolarHBondContact O-CD2 3.38Å; V1038-L1057 HydrophobicContact CG1-CB 4.11Å; V1038-L1057 HydrophobicContact CG1-CD1 4.12Å; V1038-L1057 HydrophobicContact CG2-CD1 4.05Å; V1038-F1061 HydrophobicContact CB-CE2 4.08Å; V1038-F1061 HydrophobicContact CG1-CE2 4.34Å; V1038-F1061 HydrophobicContact CG2-CE2 3.84Å; V1038-F1061 HydrophobicContact CG2-CZ 4.18Å
1039L87.4Confident87.3Confident5 Ų559.7 Ų59.73%0.02633%0.326CS..Hα-helixtrans-62.2-36174.1-68172.6000111.8V141 N1035 T1036 M1041 R1122V141-L1039 HydrophobicContact CG1-CB 3.92Å; V141-L1039 HydrophobicContact CG1-CD1 4.41Å; N1035-L1039 WeakPolarHBondContact O-CG 3.25Å; N1035-L1039 PolarHBondContact O-N 3.02Å; T1036-L1039 PolarHBondContact O-N 3.46Å; L1039-M1041 VanDerWaalsContact C-N 3.3Å; L1039-M1041 PolarHBondContact O-N 2.9Å; L1039-R1122 HydrophobicContact CD1-CB 4.49Å; L1039-R1122 HydrophobicContact CD2-CB 4.12Å
1040A87.2Confident87.3Confident24 Ų2460.5 Ų60.520%0.19833%0.33CS..Hα-helixtrans-73.4-15.9178.500000114.5I205 T1036 A1037 V1038 R1042I205-A1040 HydrophobicContact CB-CB 4.26Å; I205-A1040 HydrophobicContact CG1-CB 4.06Å; I205-A1040 HydrophobicContact CG2-CB 4.38Å; I205-A1040 WeakPolarHBondContact CG2-O 3.48Å; T1036-A1040 WeakPolarHBondContact O-CB 3.27Å; T1036-A1040 PolarHBondContact O-N 3.43Å; A1037-A1040 PolarHBondContact O-N 3.38Å; V1038-A1040 VanDerWaalsContact C-N 3.26Å; V1038-A1040 PolarHBondContact O-N 3.05Å; A1040-R1042 VanDerWaalsContact C-N 3.28Å; A1040-R1042 PolarHBondContact O-N 3.47Å
1041M88.2Confident86.9Confident108 Ų10861.5 Ų61.553%0.53233%0.329SS..THydrogen-bonded Turntrans-79.1-8.8178.3-76.3176-177.800113.8A1037 V1038 L1039 H1043 M1050A1037-M1041 WeakPolarHBondContact O-CG 3.47Å; A1037-M1041 PolarHBondContact O-N 3.09Å; V1038-M1041 PolarHBondContact O-N 3.42Å; L1039-M1041 VanDerWaalsContact C-N 3.3Å; L1039-M1041 PolarHBondContact O-N 2.9Å; M1041-H1043 PolarHBondContact O-N 3.06Å; M1041-H1043 PolarHBondContact O-ND1 2.82Å; M1041-M1050 HydrophobicContact CB-CE 4.21Å; M1041-M1050 HydrophobicContact SD-CE 4.3Å
1042R85.9Confident86.6Confident63 Ų6366.6 Ų66.624%0.23835%0.352CS..  trans-62.3134.9174.5-173.9176-173150.34.1109.8L144 E145 A1040 L1054L144-R1042 HydrophobicContact CD2-CB 4.14Å; L144-R1042 HydrophobicContact CG-CB 4.43Å; E145-R1042 VanDerWaalsContact OE1-CD 3.22Å; E145-R1042 WeakPolarHBondContact OE1-CD 3.46Å; E145-R1042 IonicContact OE1-CZ 3.61Å; E145-R1042 IonicContact OE1-NE 2.77Å; E145-R1042 IonicContact OE1-NH1 2.74Å; E145-R1042 PolarHBondContact OE1-NH1 2.66Å; E145-R1042 IonicContact OE2-CZ 3.62Å; E145-R1042 IonicContact OE2-NH1 2.56Å; E145-R1042 PolarHBondContact OE2-NH1 3.22Å; A1040-R1042 VanDerWaalsContact C-N 3.28Å; A1040-R1042 PolarHBondContact O-N 3.47Å; R1042-L1054 HydrophobicContact CB-CD2 4.37Å
1043H87.9Confident86.6Confident66 Ų6669.7 Ų69.731%0.30637%0.371SS..  trans-140.2163175.757.1-78.3000111.2D203 N204 M1041 P1046D203-H1043 CarbonylContact O-C 3.58Å; D203-H1043 WeakPolarHBondContact O-CA 3.49Å; N204-H1043 WeakPolarHBondContact OD1-CB 3.39Å; M1041-H1043 PolarHBondContact O-N 3.06Å; M1041-H1043 PolarHBondContact O-ND1 2.82Å; H1043-P1046 WeakPolarHBondContact O-CD 3.45Å
1044H83.3Confident86.6Confident48 Ų4866 Ų6622%0.22235%0.352CS..SBendtrans-65.2138.4172.2-174.351.1000110.6G149 N152 E188 D203G149-H1044 VanDerWaalsContact CA-CE1 3.48Å; G149-H1044 WeakPolarHBondContact CA-CE1 3.31Å; G149-H1044 WeakPolarHBondContact CA-ND1 3.31Å; N152-H1044 PolarHBondContact ND2-CD2 3.37Å; N152-H1044 VanDerWaalsContact ND2-CD2 3.25Å; N152-H1044 PolarHBondContact ND2-NE2 2.99Å; E188-H1044 IonicContact OE1-CE1 3.72Å; E188-H1044 IonicContact OE1-NE2 2.85Å; E188-H1044 IonicContact OE2-NE2 3.92Å; D203-H1044 HydrophobicContact CB-CB 3.81Å; D203-H1044 PolarHBondContact O-N 3.07Å; D203-H1044 VanDerWaalsContact O-N 3.08Å
1045Q80.2Confident86.2Confident136 Ų13665.3 Ų65.364%0.63635%0.349SS*.SBendtrans51.459.6-175.1-60.8179.2-4.800114.2E188E188-Q1045 PolarHBondContact OE2-NE2 3.36Å
1046P75.9Confident86.2Confident44 Ų4471.7 Ų71.729%0.28638%0.377SS..  trans-70.4149.6175.432.4-32.4000110.6H1043H1043-P1046 WeakPolarHBondContact O-CD 3.45Å
1047N85.4Confident86.3Confident122 Ų12273.5 Ų73.565%0.65239%0.385SS*.  trans-55.8138.1166.4-73.5-22.5000109.4V1049 M1050 E1051N1047-V1049 PolarHBondContact O-N 2.68Å; N1047-V1049 VanDerWaalsContact O-N 3.1Å; N1047-M1050 HydrophobicContact CB-CB 4.39Å; N1047-M1050 WeakPolarHBondContact O-CA 3.47Å; N1047-M1050 VanDerWaalsContact O-CB 3.31Å; N1047-M1050 WeakPolarHBondContact O-CB 3.29Å; N1047-M1050 PolarHBondContact O-N 3.24Å; N1047-E1051 PolarHBondContact O-N 3.3Å
1048P86.4Confident86.1Confident93 Ų9371.9 Ų71.960%0.60437%0.37SS*.Hα-helixtrans-57.6-33.3-176.521.5-33.2000112.4M1050 E1051 E1052P1048-M1050 VanDerWaalsContact C-N 3.33Å; P1048-M1050 PolarHBondContact O-N 3.06Å; P1048-E1051 PolarHBondContact O-N 3.18Å; P1048-E1052 PolarHBondContact O-N 3.32Å; P1048-E1052 VanDerWaalsContact O-N 3.12Å
1049V89.4Confident86.1Confident103 Ų10376.2 Ų76.262%0.62439%0.388SS*.Hα-helixtrans-61.9-39.6174-177.40000112N1047 V1053N1047-V1049 PolarHBondContact O-N 2.68Å; N1047-V1049 VanDerWaalsContact O-N 3.1Å; V1049-V1053 WeakPolarHBondContact O-CG2 3.46Å; V1049-V1053 PolarHBondContact O-N 3.17Å; V1049-V1053 VanDerWaalsContact O-N 3.07Å
1050M86.8Confident86.3Confident62 Ų6278.3 Ų78.331%0.30540%0.401SS..Hα-helixtrans-67-42.2179.2-171.261.3-176.600110.1M1041 N1047 P1048 E1052 V1053 L1054M1041-M1050 HydrophobicContact CB-CE 4.21Å; M1041-M1050 HydrophobicContact SD-CE 4.3Å; N1047-M1050 HydrophobicContact CB-CB 4.39Å; N1047-M1050 WeakPolarHBondContact O-CA 3.47Å; N1047-M1050 VanDerWaalsContact O-CB 3.31Å; N1047-M1050 WeakPolarHBondContact O-CB 3.29Å; N1047-M1050 PolarHBondContact O-N 3.24Å; P1048-M1050 VanDerWaalsContact C-N 3.33Å; P1048-M1050 PolarHBondContact O-N 3.06Å; M1050-E1052 PolarHBondContact O-N 3.31Å; M1050-V1053 PolarHBondContact O-N 3.38Å; M1050-L1054 HydrophobicContact CB-CD1 4.47Å; M1050-L1054 HydrophobicContact CE-CD1 3.4Å; M1050-L1054 VanDerWaalsContact CE-CD1 3.4Å; M1050-L1054 HydrophobicContact CE-CG 4.49Å; M1050-L1054 HydrophobicContact CG-CD1 3.47Å; M1050-L1054 VanDerWaalsContact CG-CD1 3.47Å; M1050-L1054 WeakPolarHBondContact O-CD1 3.49Å; M1050-L1054 PolarHBondContact O-N 2.92Å; M1050-L1054 HydrophobicContact SD-CD1 3.8Å
1051E83.2Confident86.5Confident104 Ų10478.1 Ų78.149%0.48640%0.396SS..Hα-helixtrans-59.8-47176.9-170.3170.3-165.400112.1N1047 P1048 V1053 L1054 D1055N1047-E1051 PolarHBondContact O-N 3.3Å; P1048-E1051 PolarHBondContact O-N 3.18Å; E1051-V1053 VanDerWaalsContact C-N 3.3Å; E1051-V1053 PolarHBondContact O-N 3.19Å; E1051-L1054 PolarHBondContact O-N 3.21Å; E1051-D1055 PolarHBondContact O-N 3.41Å
1052E86.6Confident86.5Confident145 Ų14573.3 Ų73.368%0.67837%0.373SS*.Hα-helixtrans-58.9-41174.6-72.4-177.1-179.500112.4P1048 M1050 D1055 F1056P1048-E1052 PolarHBondContact O-N 3.32Å; P1048-E1052 VanDerWaalsContact O-N 3.12Å; M1050-E1052 PolarHBondContact O-N 3.31Å; E1052-D1055 PolarHBondContact O-N 3.28Å; E1052-F1056 WeakPolarHBondContact O-CB 3.21Å; E1052-F1056 PolarHBondContact O-N 3.26Å
1053V90Very high86.8Confident67 Ų6772.9 Ų72.941%0.40638%0.38SS..Hα-helixtrans-66.2-44.6177.51700000111.4V1049 M1050 E1051 D1055 F1056 L1057V1049-V1053 WeakPolarHBondContact O-CG2 3.46Å; V1049-V1053 PolarHBondContact O-N 3.17Å; V1049-V1053 VanDerWaalsContact O-N 3.07Å; M1050-V1053 PolarHBondContact O-N 3.38Å; E1051-V1053 VanDerWaalsContact C-N 3.3Å; E1051-V1053 PolarHBondContact O-N 3.19Å; V1053-D1055 VanDerWaalsContact C-N 3.35Å; V1053-D1055 PolarHBondContact O-N 3.32Å; V1053-F1056 PolarHBondContact O-N 2.88Å; V1053-L1057 HydrophobicContact CG1-CD1 4.03Å; V1053-L1057 HydrophobicContact CG1-CG 4.43Å; V1053-L1057 WeakPolarHBondContact O-CB 3.35Å; V1053-L1057 VanDerWaalsContact O-CG 3.28Å; V1053-L1057 WeakPolarHBondContact O-CG 3.31Å; V1053-L1057 PolarHBondContact O-N 2.81Å
1054L87Confident87Confident19 Ų1972.6 Ų72.610%0.09938%0.38CS..Hα-helixtrans-61.7-43.1176.8-88.195.9000111.4V1038 R1042 M1050 E1051 L1057 N1058V1038-L1054 HydrophobicContact CG1-CG 4.38Å; V1038-L1054 WeakPolarHBondContact O-CD2 3.38Å; R1042-L1054 HydrophobicContact CB-CD2 4.37Å; M1050-L1054 HydrophobicContact CB-CD1 4.47Å; M1050-L1054 HydrophobicContact CE-CD1 3.4Å; M1050-L1054 VanDerWaalsContact CE-CD1 3.4Å; M1050-L1054 HydrophobicContact CE-CG 4.49Å; M1050-L1054 HydrophobicContact CG-CD1 3.47Å; M1050-L1054 VanDerWaalsContact CG-CD1 3.47Å; M1050-L1054 WeakPolarHBondContact O-CD1 3.49Å; M1050-L1054 PolarHBondContact O-N 2.92Å; M1050-L1054 HydrophobicContact SD-CD1 3.8Å; E1051-L1054 PolarHBondContact O-N 3.21Å; L1054-L1057 PolarHBondContact O-N 2.88Å; L1054-N1058 WeakPolarHBondContact O-CB 3.3Å; L1054-N1058 VanDerWaalsContact O-CG 3.28Å; L1054-N1058 PolarHBondContact O-N 3.37Å; L1054-N1058 PolarHBondContact O-ND2 3.49Å
1055D82.5Confident87.5Confident81 Ų8170.4 Ų70.443%0.43337%0.369SS..Hα-helixtrans-66.8-39.3178.8-86.3-15.1000112.3E1051 E1052 V1053 N1058 F1059 R1122E1051-D1055 PolarHBondContact O-N 3.41Å; E1052-D1055 PolarHBondContact O-N 3.28Å; V1053-D1055 VanDerWaalsContact C-N 3.35Å; V1053-D1055 PolarHBondContact O-N 3.32Å; D1055-N1058 PolarHBondContact O-N 3.25Å; D1055-F1059 PolarHBondContact O-N 3.08Å; D1055-R1122 IonicContact OD1-NH1 3.97Å
1056F89.6Confident88Confident135 Ų13565.7 Ų65.759%0.59235%0.354SS*.Hα-helixtrans-60.8-46.8171.7177.6-102.5000111.9E1052 V1053 N1058 F1059 V1060E1052-F1056 WeakPolarHBondContact O-CB 3.21Å; E1052-F1056 PolarHBondContact O-N 3.26Å; V1053-F1056 PolarHBondContact O-N 2.88Å; F1056-N1058 VanDerWaalsContact C-N 3.34Å; F1056-N1058 PolarHBondContact O-N 3.41Å; F1056-F1059 WeakPolarHBondContact O-CB 3.5Å; F1056-F1059 PolarHBondContact O-N 3.01Å; F1056-V1060 HydrophobicContact CD1-CG2 4.39Å; F1056-V1060 HydrophobicContact CE1-CG2 3.96Å; F1056-V1060 HydrophobicContact CE2-CG2 4.47Å; F1056-V1060 HydrophobicContact CZ-CG2 4.01Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.47Å; F1056-V1060 PolarHBondContact O-N 3.16Å
1057L90.3Very high88.8Confident58 Ų5865.8 Ų65.830%0.30436%0.358SS..Hα-helixtrans-61.8-41.4176.6-72.1173.8000111.6V1038 V1053 L1054 F1059 V1060 F1061V1038-L1057 HydrophobicContact CG1-CB 4.11Å; V1038-L1057 HydrophobicContact CG1-CD1 4.12Å; V1038-L1057 HydrophobicContact CG2-CD1 4.05Å; V1053-L1057 HydrophobicContact CG1-CD1 4.03Å; V1053-L1057 HydrophobicContact CG1-CG 4.43Å; V1053-L1057 WeakPolarHBondContact O-CB 3.35Å; V1053-L1057 VanDerWaalsContact O-CG 3.28Å; V1053-L1057 WeakPolarHBondContact O-CG 3.31Å; V1053-L1057 PolarHBondContact O-N 2.81Å; L1054-L1057 PolarHBondContact O-N 2.88Å; L1057-F1059 VanDerWaalsContact C-N 3.3Å; L1057-F1059 PolarHBondContact O-N 3.19Å; L1057-V1060 WeakPolarHBondContact O-CB 3.41Å; L1057-V1060 PolarHBondContact O-N 2.99Å; L1057-V1060 VanDerWaalsContact O-N 3.14Å; L1057-F1061 HydrophobicContact CB-CD2 4.48Å; L1057-F1061 HydrophobicContact CB-CE2 4.16Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.49Å; L1057-F1061 PolarHBondContact O-N 3.12Å
1058N85.5Confident89.2Confident10 Ų1060.3 Ų60.35%0.05333%0.329CS..Hα-helixtrans-60-39.8176.2-79.4-41.3000112.2L1054 D1055 F1056 T1062 R1122L1054-N1058 WeakPolarHBondContact O-CB 3.3Å; L1054-N1058 VanDerWaalsContact O-CG 3.28Å; L1054-N1058 PolarHBondContact O-N 3.37Å; L1054-N1058 PolarHBondContact O-ND2 3.49Å; D1055-N1058 PolarHBondContact O-N 3.25Å; F1056-N1058 VanDerWaalsContact C-N 3.34Å; F1056-N1058 PolarHBondContact O-N 3.41Å; N1058-T1062 WeakPolarHBondContact O-CB 3.23Å; N1058-T1062 PolarHBondContact O-N 3Å; N1058-T1062 PolarHBondContact O-OG1 2.8Å; N1058-R1122 PolarHBondContact ND2-NH1 2.8Å
1059F88.6Confident89.4Confident107 Ų10756.2 Ų56.247%0.46930%0.302SS..Hα-helixtrans-63.2-44173176-97000112.2D1055 F1056 L1057 T1062 S1063 I1101D1055-F1059 PolarHBondContact O-N 3.08Å; F1056-F1059 WeakPolarHBondContact O-CB 3.5Å; F1056-F1059 PolarHBondContact O-N 3.01Å; L1057-F1059 VanDerWaalsContact C-N 3.3Å; L1057-F1059 PolarHBondContact O-N 3.19Å; F1059-T1062 PolarHBondContact O-N 2.91Å; F1059-S1063 PolarHBondContact O-N 3.48Å; F1059-S1063 PolarHBondContact O-OG 3.09Å; F1059-I1101 HydrophobicContact CD2-CD1 4.36Å
1060V92.4Very high89.6Confident50 Ų5056.2 Ų56.230%0.30330%0.298SS..Hα-helixtrans-59.5-49.8176.61720000111F1056 L1057 T1062 S1063 I1064F1056-V1060 HydrophobicContact CD1-CG2 4.39Å; F1056-V1060 HydrophobicContact CE1-CG2 3.96Å; F1056-V1060 HydrophobicContact CE2-CG2 4.47Å; F1056-V1060 HydrophobicContact CZ-CG2 4.01Å; F1056-V1060 WeakPolarHBondContact O-CG2 3.47Å; F1056-V1060 PolarHBondContact O-N 3.16Å; L1057-V1060 WeakPolarHBondContact O-CB 3.41Å; L1057-V1060 PolarHBondContact O-N 2.99Å; L1057-V1060 VanDerWaalsContact O-N 3.14Å; V1060-T1062 VanDerWaalsContact C-N 3.34Å; V1060-T1062 PolarHBondContact O-N 3.46Å; V1060-S1063 WeakPolarHBondContact O-CB 3.44Å; V1060-S1063 PolarHBondContact O-N 3.07Å; V1060-I1064 HydrophobicContact CG1-CD1 3.95Å; V1060-I1064 WeakPolarHBondContact O-CG1 3.16Å; V1060-I1064 PolarHBondContact O-N 2.92Å
1061F91.8Very high89.9Confident19 Ų1956.1 Ų56.18%0.08330%0.298CS..Hα-helixtrans-61-42.1178.6-70.6-60.1000112.6I1031 L1034 N1035 V1038 L1057 S1063 I1064 F1065I1031-F1061 HydrophobicContact CG2-CD1 3.83Å; I1031-F1061 HydrophobicContact CG2-CE1 4.14Å; L1034-F1061 HydrophobicContact CB-CE1 4.17Å; L1034-F1061 HydrophobicContact CB-CZ 4.15Å; N1035-F1061 HydrophobicContact CB-CD1 3.92Å; N1035-F1061 HydrophobicContact CB-CD2 4.05Å; N1035-F1061 HydrophobicContact CB-CE1 4.08Å; N1035-F1061 HydrophobicContact CB-CE2 4.21Å; N1035-F1061 HydrophobicContact CB-CG 3.92Å; N1035-F1061 HydrophobicContact CB-CZ 4.22Å; N1035-F1061 WeakPolarHBondContact ND2-CD2 3.44Å; N1035-F1061 WeakPolarHBondContact ND2-CG 2.93Å; V1038-F1061 HydrophobicContact CB-CE2 4.08Å; V1038-F1061 HydrophobicContact CG1-CE2 4.34Å; V1038-F1061 HydrophobicContact CG2-CE2 3.84Å; V1038-F1061 HydrophobicContact CG2-CZ 4.18Å; L1057-F1061 HydrophobicContact CB-CD2 4.48Å; L1057-F1061 HydrophobicContact CB-CE2 4.16Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.49Å; L1057-F1061 PolarHBondContact O-N 3.12Å; F1061-S1063 VanDerWaalsContact C-N 3.27Å; F1061-S1063 PolarHBondContact O-N 3.34Å; F1061-I1064 PolarHBondContact O-N 3.47Å; F1061-F1065 HydrophobicContact CB-CE2 4.19Å; F1061-F1065 WeakPolarHBondContact O-CD2 3.28Å; F1061-F1065 PolarHBondContact O-N 2.88Å
1062T88.3Confident90.3Very high7 Ų751.9 Ų51.94%0.04328%0.278CS..Hα-helixtrans-60.4-40.8177.6-49.80000111.3N1058 F1059 V1060 F1065 A1066 V1098 I1101 R1125N1058-T1062 WeakPolarHBondContact O-CB 3.23Å; N1058-T1062 PolarHBondContact O-N 3Å; N1058-T1062 PolarHBondContact O-OG1 2.8Å; F1059-T1062 PolarHBondContact O-N 2.91Å; V1060-T1062 VanDerWaalsContact C-N 3.34Å; V1060-T1062 PolarHBondContact O-N 3.46Å; T1062-F1065 PolarHBondContact O-N 2.73Å; T1062-A1066 WeakPolarHBondContact O-CB 3.43Å; T1062-A1066 PolarHBondContact O-N 3.37Å; T1062-V1098 HydrophobicContact CG2-CG2 4.45Å; T1062-I1101 HydrophobicContact CG2-CD1 3.81Å; T1062-R1125 PolarHBondContact OG1-NH1 2.76Å; T1062-R1125 PolarHBondContact OG1-NH2 3.01Å
1063S91.1Very high90.5Very high55 Ų5547.1 Ų47.139%0.38526%0.257SS..Hα-helixtrans-64.5-40.3177.6-58.10000112.1F1059 V1060 F1061 A1066 A1067F1059-S1063 PolarHBondContact O-N 3.48Å; F1059-S1063 PolarHBondContact O-OG 3.09Å; V1060-S1063 WeakPolarHBondContact O-CB 3.44Å; V1060-S1063 PolarHBondContact O-N 3.07Å; F1061-S1063 VanDerWaalsContact C-N 3.27Å; F1061-S1063 PolarHBondContact O-N 3.34Å; S1063-A1066 PolarHBondContact O-N 3.18Å; S1063-A1067 WeakPolarHBondContact O-CB 3.46Å; S1063-A1067 PolarHBondContact O-N 2.81Å
1064I93.5Very high90.6Very high60 Ų6047.5 Ų47.531%0.30826%0.256SS..Hα-helixtrans-64.7-44.2176.6-65.2166.2000111I1031 V1060 F1061 A1067 E1068I1031-I1064 HydrophobicContact CD1-CG2 3.85Å; I1031-I1064 HydrophobicContact CG2-CG2 4.21Å; V1060-I1064 HydrophobicContact CG1-CD1 3.95Å; V1060-I1064 WeakPolarHBondContact O-CG1 3.16Å; V1060-I1064 PolarHBondContact O-N 2.92Å; F1061-I1064 PolarHBondContact O-N 3.47Å; I1064-A1067 WeakPolarHBondContact O-CB 3.3Å; I1064-A1067 PolarHBondContact O-N 3.47Å; I1064-E1068 PolarHBondContact O-N 3.33Å
1065F92.2Very high90.6Very high2 Ų246.6 Ų46.61%0.00925%0.252CS..Hα-helixtrans-68.5-35.3177.3-64.8-51.1000112.7I1028 I1031 I1032 F1061 T1062 A1067 E1068 V1069 V1094 R1125I1028-F1065 HydrophobicContact CG2-CE1 4.48Å; I1031-F1065 HydrophobicContact CG2-CE1 4.16Å; I1031-F1065 HydrophobicContact CG2-CZ 4Å; I1032-F1065 HydrophobicContact CG1-CE1 3.74Å; I1032-F1065 HydrophobicContact CG1-CZ 3.78Å; F1061-F1065 HydrophobicContact CB-CE2 4.19Å; F1061-F1065 WeakPolarHBondContact O-CD2 3.28Å; F1061-F1065 PolarHBondContact O-N 2.88Å; T1062-F1065 PolarHBondContact O-N 2.73Å; F1065-A1067 VanDerWaalsContact C-N 3.31Å; F1065-A1067 PolarHBondContact O-N 2.86Å; F1065-E1068 WeakPolarHBondContact O-CB 3.3Å; F1065-E1068 PolarHBondContact O-N 3.35Å; F1065-V1069 PolarHBondContact O-N 3.17Å; F1065-V1069 VanDerWaalsContact O-N 3.08Å; F1065-V1094 HydrophobicContact CB-CG2 3.78Å; F1065-R1125 HydrophobicContact CE2-CG 4.4Å
1066A91.7Very high90.8Very high37 Ų3744.7 Ų44.731%0.30624%0.239SC..Hα-helixtrans-62.6-40.2171.400000111.7T1062 S1063 V1069 L1070 V1094T1062-A1066 WeakPolarHBondContact O-CB 3.43Å; T1062-A1066 PolarHBondContact O-N 3.37Å; S1063-A1066 PolarHBondContact O-N 3.18Å; A1066-V1069 PolarHBondContact O-N 3.39Å; A1066-L1070 WeakPolarHBondContact O-CB 3.37Å; A1066-L1070 PolarHBondContact O-N 2.87Å; A1066-V1094 HydrophobicContact CB-CG1 3.99Å
1067A93.1Very high90.6Very high46 Ų4640.3 Ų40.338%0.3822%0.224SC..Hα-helixtrans-65.5-38.7174.500000112.5S1063 I1064 F1065 L1070 L1071S1063-A1067 WeakPolarHBondContact O-CB 3.46Å; S1063-A1067 PolarHBondContact O-N 2.81Å; I1064-A1067 WeakPolarHBondContact O-CB 3.3Å; I1064-A1067 PolarHBondContact O-N 3.47Å; F1065-A1067 VanDerWaalsContact C-N 3.31Å; F1065-A1067 PolarHBondContact O-N 2.86Å; A1067-L1070 PolarHBondContact O-N 3.49Å; A1067-L1071 WeakPolarHBondContact O-CB 3.31Å; A1067-L1071 VanDerWaalsContact O-CG 3.3Å; A1067-L1071 WeakPolarHBondContact O-CG 3.36Å; A1067-L1071 PolarHBondContact O-N 2.87Å
1068E92.7Very high90.5Very high6 Ų643.2 Ų43.23%0.02824%0.238CC..Hα-helixtrans-56.5-52.7172.7173.8-175.8-172.200111.3F1024 I1028 I1064 F1065 L1070 L1071 K1072F1024-E1068 HydrophobicContact CE1-CG 4.37Å; F1024-E1068 HydrophobicContact CZ-CG 4.08Å; I1028-E1068 HydrophobicContact CD1-CB 4.13Å; I1028-E1068 HydrophobicContact CD1-CG 4.19Å; I1028-E1068 HydrophobicContact CG1-CG 4.44Å; I1028-E1068 WeakPolarHBondContact CG2-OE2 3.29Å; I1064-E1068 PolarHBondContact O-N 3.33Å; F1065-E1068 WeakPolarHBondContact O-CB 3.3Å; F1065-E1068 PolarHBondContact O-N 3.35Å; E1068-L1070 VanDerWaalsContact C-N 3.31Å; E1068-L1070 PolarHBondContact O-N 3.17Å; E1068-L1071 PolarHBondContact O-N 3.3Å; E1068-K1072 HydrophobicContact CG-CD 4.24Å; E1068-K1072 WeakPolarHBondContact O-CG 3.34Å; E1068-K1072 PolarHBondContact O-N 3.07Å; E1068-K1072 WeakPolarHBondContact OE1-CE 3.37Å; E1068-K1072 IonicContact OE1-NZ 3.6Å; E1068-K1072 PolarHBondContact OE1-NZ 3.39Å
1069V92.4Very high90.6Very high8 Ų848.1 Ų48.15%0.04827%0.269CS..Hα-helixtrans-59-43.9179168.60000110.9F1065 A1066 K1072 L1073 F1091 V1094F1065-V1069 PolarHBondContact O-N 3.17Å; F1065-V1069 VanDerWaalsContact O-N 3.08Å; A1066-V1069 PolarHBondContact O-N 3.39Å; V1069-K1072 PolarHBondContact O-N 2.88Å; V1069-L1073 HydrophobicContact CG1-CD1 3.84Å; V1069-L1073 HydrophobicContact CG1-CG 4.37Å; V1069-L1073 WeakPolarHBondContact O-CB 3.43Å; V1069-L1073 VanDerWaalsContact O-CG 3.32Å; V1069-L1073 WeakPolarHBondContact O-CG 3.17Å; V1069-L1073 PolarHBondContact O-N 2.71Å; V1069-F1091 HydrophobicContact CG1-CD2 3.99Å; V1069-V1094 HydrophobicContact CG2-CB 4.37Å; V1069-V1094 HydrophobicContact CG2-CG2 3.82Å
1070L93Very high90.5Very high103 Ų10345.6 Ų45.654%0.53926%0.26SS..Hα-helixtrans-60.7-46.7177.5-177.364.2000112A1066 A1067 E1068 K1072 L1073 I1074A1066-L1070 WeakPolarHBondContact O-CB 3.37Å; A1066-L1070 PolarHBondContact O-N 2.87Å; A1067-L1070 PolarHBondContact O-N 3.49Å; E1068-L1070 VanDerWaalsContact C-N 3.31Å; E1068-L1070 PolarHBondContact O-N 3.17Å; L1070-K1072 PolarHBondContact O-N 3.45Å; L1070-L1073 PolarHBondContact O-N 3.46Å; L1070-I1074 HydrophobicContact CD1-CD1 4.29Å; L1070-I1074 HydrophobicContact CG-CD1 4.09Å; L1070-I1074 VanDerWaalsContact O-CG1 3.28Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; L1070-I1074 PolarHBondContact O-N 3.28Å
1071L92.7Very high90.4Very high59 Ų5943.2 Ų43.231%0.30925%0.246SC..Hα-helixtrans-62.3-42.2177.8-72.7172.9000111.8V1019 F1024 A1067 E1068 I1074 A1075V1019-L1071 HydrophobicContact CG2-CB 4.12Å; F1024-L1071 HydrophobicContact CE2-CD1 4.25Å; A1067-L1071 WeakPolarHBondContact O-CB 3.31Å; A1067-L1071 VanDerWaalsContact O-CG 3.3Å; A1067-L1071 WeakPolarHBondContact O-CG 3.36Å; A1067-L1071 PolarHBondContact O-N 2.87Å; E1068-L1071 PolarHBondContact O-N 3.3Å; L1071-I1074 PolarHBondContact O-N 3.43Å; L1071-A1075 WeakPolarHBondContact O-CB 3.26Å; L1071-A1075 PolarHBondContact O-N 3.2Å
1072K91.6Very high90.4Very high16 Ų1646.4 Ų46.47%0.0726%0.26CS..Hα-helixtrans-64.9-42.1176.1-72.6179.1-175.6168.80112.3V1019 E1068 V1069 L1070 I1074 A1075 F1076 Y1081 D1090V1019-K1072 HydrophobicContact CG1-CG 3.78Å; E1068-K1072 HydrophobicContact CG-CD 4.24Å; E1068-K1072 WeakPolarHBondContact O-CG 3.34Å; E1068-K1072 PolarHBondContact O-N 3.07Å; E1068-K1072 WeakPolarHBondContact OE1-CE 3.37Å; E1068-K1072 IonicContact OE1-NZ 3.6Å; E1068-K1072 PolarHBondContact OE1-NZ 3.39Å; V1069-K1072 PolarHBondContact O-N 2.88Å; L1070-K1072 PolarHBondContact O-N 3.45Å; K1072-I1074 VanDerWaalsContact C-N 3.33Å; K1072-I1074 PolarHBondContact O-N 3.09Å; K1072-A1075 PolarHBondContact O-N 2.97Å; K1072-F1076 HydrophobicContact CB-CD2 4.32Å; K1072-F1076 WeakPolarHBondContact O-CD2 3.3Å; K1072-F1076 PolarHBondContact O-N 2.84Å; K1072-Y1081 HydrophobicContact CB-CD2 3.76Å; K1072-Y1081 HydrophobicContact CB-CE2 3.53Å; K1072-Y1081 HydrophobicContact CD-CE2 3.93Å; K1072-Y1081 HydrophobicContact CG-CE2 4.41Å; K1072-D1090 IonicContact NZ-OD2 3.32Å; K1072-D1090 PolarHBondContact NZ-OD2 3.25Å
1073L91.4Very high90.3Very high44 Ų4450 Ų5023%0.2329%0.289CS..Hα-helixtrans-60.4-42.5176.3-77.8168.5000111.7V1069 L1070 T1077 Y1081 F1082V1069-L1073 HydrophobicContact CG1-CD1 3.84Å; V1069-L1073 HydrophobicContact CG1-CG 4.37Å; V1069-L1073 WeakPolarHBondContact O-CB 3.43Å; V1069-L1073 VanDerWaalsContact O-CG 3.32Å; V1069-L1073 WeakPolarHBondContact O-CG 3.17Å; V1069-L1073 PolarHBondContact O-N 2.71Å; L1070-L1073 PolarHBondContact O-N 3.46Å; L1073-T1077 WeakPolarHBondContact O-CA 3.39Å; L1073-T1077 PolarHBondContact O-N 3.07Å; L1073-T1077 VanDerWaalsContact O-N 3.16Å; L1073-Y1081 HydrophobicContact CD2-CD1 3.5Å; L1073-Y1081 VanDerWaalsContact CD2-CD1 3.5Å; L1073-Y1081 HydrophobicContact CD2-CD2 4.28Å; L1073-Y1081 HydrophobicContact CD2-CE1 3.99Å; L1073-Y1081 HydrophobicContact CD2-CG 3.65Å; L1073-Y1081 HydrophobicContact CG-CD1 4.26Å; L1073-Y1081 HydrophobicContact CG-CD2 4.42Å; L1073-Y1081 HydrophobicContact CG-CE1 4.38Å; L1073-Y1081 HydrophobicContact CG-CG 4.27Å; L1073-F1082 HydrophobicContact CD2-CE2 4.42Å
1074I90.5Very high89.9Confident76 Ų7650.7 Ų50.739%0.3929%0.289SS..Hα-helixtrans-65.8-39.1176-65.6165.6000111.2I1015 L1070 L1071 K1072I1015-I1074 HydrophobicContact CD1-CG2 3.79Å; L1070-I1074 HydrophobicContact CD1-CD1 4.29Å; L1070-I1074 HydrophobicContact CG-CD1 4.09Å; L1070-I1074 VanDerWaalsContact O-CG1 3.28Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.43Å; L1070-I1074 PolarHBondContact O-N 3.28Å; L1071-I1074 PolarHBondContact O-N 3.43Å; K1072-I1074 VanDerWaalsContact C-N 3.33Å; K1072-I1074 PolarHBondContact O-N 3.09Å
1075A88.7Confident89.6Confident0 Ų051.4 Ų51.40%030%0.304CS..Hα-helixtrans-70.2-49.1-178.900000113.2Y1005 I1015 W1016 V1019 L1071 K1072Y1005-A1075 WeakPolarHBondContact CE1-O 3.28Å; I1015-A1075 HydrophobicContact CG2-CB 4.2Å; W1016-A1075 HydrophobicContact CB-CB 4.27Å; V1019-A1075 HydrophobicContact CB-CB 4.36Å; V1019-A1075 HydrophobicContact CG2-CB 4.26Å; L1071-A1075 WeakPolarHBondContact O-CB 3.26Å; L1071-A1075 PolarHBondContact O-N 3.2Å; K1072-A1075 PolarHBondContact O-N 2.97Å
1076F86Confident89.4Confident40 Ų4055.9 Ų55.918%0.17532%0.321CS..Hα-helixtrans-96.5-14.5-168.2-68.2-65.1000114.9Y1005 W1016 V1019 T1020 K1072 N1080Y1005-F1076 HydrophobicContact CD1-CD1 4.13Å; W1016-F1076 AromaticContact CD1-CE1 3.62Å; W1016-F1076 AromaticContact NE1-CE1 3.59Å; V1019-F1076 HydrophobicContact CG1-CE2 3.96Å; V1019-F1076 HydrophobicContact CG1-CZ 4.49Å; T1020-F1076 HydrophobicContact CG2-CE1 4.24Å; T1020-F1076 HydrophobicContact CG2-CZ 3.84Å; K1072-F1076 HydrophobicContact CB-CD2 4.32Å; K1072-F1076 WeakPolarHBondContact O-CD2 3.3Å; K1072-F1076 PolarHBondContact O-N 2.84Å; F1076-N1080 HydrophobicContact CB-CB 4.31Å; F1076-N1080 VanDerWaalsContact O-CB 3.31Å; F1076-N1080 WeakPolarHBondContact O-CB 3.28Å; F1076-N1080 PolarHBondContact O-ND2 3.43Å
1077T85.8Confident89.2Confident44 Ų4454.9 Ų54.927%0.2731%0.31SS..Hα-helixtrans65.2153-162.2740000112.7Y1005 L1073 V1079 N1080 Y1081Y1005-T1077 WeakPolarHBondContact OH-CG2 3.42Å; L1073-T1077 WeakPolarHBondContact O-CA 3.39Å; L1073-T1077 PolarHBondContact O-N 3.07Å; L1073-T1077 VanDerWaalsContact O-N 3.16Å; T1077-V1079 VanDerWaalsContact C-N 3.29Å; T1077-V1079 PolarHBondContact O-N 2.86Å; T1077-N1080 PolarHBondContact O-N 3.11Å; T1077-N1080 PolarHBondContact OG1-ND2 3.41Å; T1077-Y1081 WeakPolarHBondContact O-CB 3.49Å; T1077-Y1081 PolarHBondContact O-N 3.17Å
1078I87.8Confident89.1Confident118 Ų11854.9 Ų54.961%0.60531%0.306SS*.Hα-helixtrans-51-47.7-174.9-65.7171.8000111.5N1080 Y1081 F1082I1078-N1080 PolarHBondContact O-N 2.87Å; I1078-Y1081 PolarHBondContact O-N 3.49Å; I1078-F1082 HydrophobicContact CG2-CD2 3.71Å; I1078-F1082 HydrophobicContact CG2-CE2 3.87Å; I1078-F1082 VanDerWaalsContact O-CD2 3.24Å; I1078-F1082 WeakPolarHBondContact O-CD2 3.35Å; I1078-F1082 PolarHBondContact O-N 3.35Å
1079V88Confident89Confident114 Ų11456.8 Ų56.869%0.69131%0.314SS*.Hα-helixtrans-62.5-43.7-175.5-179.20000112.4T1077 A1083T1077-V1079 VanDerWaalsContact C-N 3.29Å; T1077-V1079 PolarHBondContact O-N 2.86Å; V1079-A1083 PolarHBondContact O-N 3.42Å
1080N86.2Confident88.8Confident54 Ų5456.7 Ų56.729%0.28931%0.313SS..Hα-helixtrans-82.4-25.7-178.8-50.3-51.9000112.3Y1005 F1076 T1077 I1078 A1083Y1005-N1080 WeakPolarHBondContact CD2-ND2 3.23Å; Y1005-N1080 VanDerWaalsContact CE2-ND2 3.26Å; Y1005-N1080 WeakPolarHBondContact CE2-ND2 3.36Å; F1076-N1080 HydrophobicContact CB-CB 4.31Å; F1076-N1080 VanDerWaalsContact O-CB 3.31Å; F1076-N1080 WeakPolarHBondContact O-CB 3.28Å; F1076-N1080 PolarHBondContact O-ND2 3.43Å; T1077-N1080 PolarHBondContact O-N 3.11Å; T1077-N1080 PolarHBondContact OG1-ND2 3.41Å; I1078-N1080 PolarHBondContact O-N 2.87Å; N1080-A1083 PolarHBondContact O-N 3.07Å
1081Y89.3Confident88.8Confident0 Ų055.1 Ų55.10%030%0.302CS..Hα-helixtrans-63.5-50.5173.2178.8-94.7000110.8K1072 L1073 T1077 I1078 A1083 D1084 N1087 F1091K1072-Y1081 HydrophobicContact CB-CD2 3.76Å; K1072-Y1081 HydrophobicContact CB-CE2 3.53Å; K1072-Y1081 HydrophobicContact CD-CE2 3.93Å; K1072-Y1081 HydrophobicContact CG-CE2 4.41Å; L1073-Y1081 HydrophobicContact CD2-CD1 3.5Å; L1073-Y1081 VanDerWaalsContact CD2-CD1 3.5Å; L1073-Y1081 HydrophobicContact CD2-CD2 4.28Å; L1073-Y1081 HydrophobicContact CD2-CE1 3.99Å; L1073-Y1081 HydrophobicContact CD2-CG 3.65Å; L1073-Y1081 HydrophobicContact CG-CD1 4.26Å; L1073-Y1081 HydrophobicContact CG-CD2 4.42Å; L1073-Y1081 HydrophobicContact CG-CE1 4.38Å; L1073-Y1081 HydrophobicContact CG-CG 4.27Å; T1077-Y1081 WeakPolarHBondContact O-CB 3.49Å; T1077-Y1081 PolarHBondContact O-N 3.17Å; I1078-Y1081 PolarHBondContact O-N 3.49Å; Y1081-A1083 PolarHBondContact O-N 2.75Å; Y1081-D1084 PolarHBondContact O-N 2.73Å; Y1081-N1087 HydrophobicContact CD1-CB 4.37Å; Y1081-N1087 HydrophobicContact CD2-CB 3.89Å; Y1081-N1087 HydrophobicContact CE1-CB 4.12Å; Y1081-N1087 HydrophobicContact CE2-CB 3.61Å; Y1081-N1087 HydrophobicContact CG-CB 4.27Å; Y1081-N1087 VanDerWaalsContact O-CB 3.31Å; Y1081-N1087 WeakPolarHBondContact O-CB 3.42Å; Y1081-N1087 PolarHBondContact OH-O 3.49Å; Y1081-F1091 HydrophobicContact CE1-CB 4.16Å
1082F92.2Very high88.7Confident86 Ų8656.3 Ų56.338%0.37731%0.308SS..THydrogen-bonded Turntrans-74.5-7.4178.7-73.1-74.2000114L1073 I1078 D1084 V1088 F1091L1073-F1082 HydrophobicContact CD2-CE2 4.42Å; I1078-F1082 HydrophobicContact CG2-CD2 3.71Å; I1078-F1082 HydrophobicContact CG2-CE2 3.87Å; I1078-F1082 VanDerWaalsContact O-CD2 3.24Å; I1078-F1082 WeakPolarHBondContact O-CD2 3.35Å; I1078-F1082 PolarHBondContact O-N 3.35Å; F1082-D1084 VanDerWaalsContact C-N 3.33Å; F1082-V1088 HydrophobicContact CD1-CG2 4.08Å; F1082-V1088 WeakPolarHBondContact O-CG2 3.49Å; F1082-F1091 HydrophobicContact CE1-CD1 4.12Å; F1082-F1091 HydrophobicContact CE1-CG 4.25Å; F1082-F1091 HydrophobicContact CZ-CD1 4.38Å; F1082-F1091 HydrophobicContact CZ-CD2 4.45Å; F1082-F1091 HydrophobicContact CZ-CE1 4.45Å; F1082-F1091 HydrophobicContact CZ-CG 4.38Å
1083A85.7Confident88.7Confident81 Ų8155.6 Ų55.667%0.66931%0.305SS*.THydrogen-bonded Turntrans-73.7-25.2173.700000112.8V1079 N1080 Y1081V1079-A1083 PolarHBondContact O-N 3.42Å; N1080-A1083 PolarHBondContact O-N 3.07Å; Y1081-A1083 PolarHBondContact O-N 2.75Å
1084D84.5Confident88.6Confident71 Ų7154.2 Ų54.238%0.3830%0.298SS..SBendtrans-94.4117.6176.8-1795.8000110.5Y1081 F1082 W1086 N1087 V1088Y1081-D1084 PolarHBondContact O-N 2.73Å; F1082-D1084 VanDerWaalsContact C-N 3.33Å; D1084-W1086 PolarHBondContact O-N 2.91Å; D1084-W1086 VanDerWaalsContact O-N 3.16Å; D1084-W1086 PolarHBondContact OD1-N 2.85Å; D1084-W1086 VanDerWaalsContact OD1-N 3.16Å; D1084-N1087 HydrophobicContact CB-CB 4.27Å; D1084-N1087 WeakPolarHBondContact O-CB 3.16Å; D1084-N1087 PolarHBondContact O-N 2.94Å; D1084-N1087 PolarHBondContact OD2-ND2 3.47Å; D1084-V1088 WeakPolarHBondContact O-CG2 3.29Å; D1084-V1088 PolarHBondContact O-N 3.22Å; D1084-V1088 VanDerWaalsContact O-N 3.12Å
1085A86.6Confident88.7Confident74 Ų7454.9 Ų54.961%0.61230%0.302SS*.Hα-helixtrans-56.8-32-178.200000113.2V1088 F1089A1085-V1088 WeakPolarHBondContact O-CB 3.49Å; A1085-V1088 PolarHBondContact O-N 3.06Å; A1085-F1089 PolarHBondContact O-N 3.47Å
1086W87Confident88.7Confident96 Ų9655 Ų5536%0.36430%0.303SS..Hα-helixtrans-71.7-33.1178.3-74103.3000112.9D1084 F1089 D1090 L1130 G1131 R1137D1084-W1086 PolarHBondContact O-N 2.91Å; D1084-W1086 VanDerWaalsContact O-N 3.16Å; D1084-W1086 PolarHBondContact OD1-N 2.85Å; D1084-W1086 VanDerWaalsContact OD1-N 3.16Å; W1086-F1089 HydrophobicContact CE3-CD1 4.44Å; W1086-F1089 PolarHBondContact O-N 2.85Å; W1086-D1090 WeakPolarHBondContact O-CB 3.43Å; W1086-D1090 PolarHBondContact O-N 3.21Å; W1086-L1130 HydrophobicContact CH2-CB 4.49Å; W1086-G1131 VanDerWaalsContact CH2-CA 3.47Å; W1086-R1137 HydrophobicContact CZ2-CG 4.36Å
1087N89.1Confident88.8Confident17 Ų1753.1 Ų53.19%0.09130%0.295CS..Hα-helixtrans-71.6-35173.1-71.7-33.8000111.2Y1081 D1084 D1090 F1091Y1081-N1087 HydrophobicContact CD1-CB 4.37Å; Y1081-N1087 HydrophobicContact CD2-CB 3.89Å; Y1081-N1087 HydrophobicContact CE1-CB 4.12Å; Y1081-N1087 HydrophobicContact CE2-CB 3.61Å; Y1081-N1087 HydrophobicContact CG-CB 4.27Å; Y1081-N1087 VanDerWaalsContact O-CB 3.31Å; Y1081-N1087 WeakPolarHBondContact O-CB 3.42Å; Y1081-N1087 PolarHBondContact OH-O 3.49Å; D1084-N1087 HydrophobicContact CB-CB 4.27Å; D1084-N1087 WeakPolarHBondContact O-CB 3.16Å; D1084-N1087 PolarHBondContact O-N 2.94Å; D1084-N1087 PolarHBondContact OD2-ND2 3.47Å; N1087-D1090 PolarHBondContact O-N 3.45Å; N1087-F1091 WeakPolarHBondContact O-CB 3.32Å; N1087-F1091 PolarHBondContact O-N 3.22Å
1088V91Very high88.8Confident46 Ų4653.9 Ų53.928%0.27930%0.299SS..Hα-helixtrans-60.5-45.8170.9-176.90000110.8F1082 D1084 A1085 F1091 I1092F1082-V1088 HydrophobicContact CD1-CG2 4.08Å; F1082-V1088 WeakPolarHBondContact O-CG2 3.49Å; D1084-V1088 WeakPolarHBondContact O-CG2 3.29Å; D1084-V1088 PolarHBondContact O-N 3.22Å; D1084-V1088 VanDerWaalsContact O-N 3.12Å; A1085-V1088 WeakPolarHBondContact O-CB 3.49Å; A1085-V1088 PolarHBondContact O-N 3.06Å; V1088-F1091 PolarHBondContact O-N 3.23Å; V1088-I1092 HydrophobicContact CG1-CD1 4.12Å; V1088-I1092 WeakPolarHBondContact O-CG1 3.43Å; V1088-I1092 PolarHBondContact O-N 3.22Å; V1088-I1092 VanDerWaalsContact O-N 3.09Å
1089F89.4Confident88.8Confident46 Ų4651.2 Ų51.220%0.20229%0.286CS..Hα-helixtrans-60.7-46.5176.4178.3-103.8000112.1A1085 W1086 F1091 I1092 V1093 M1124 V1127 K1128A1085-F1089 PolarHBondContact O-N 3.47Å; W1086-F1089 HydrophobicContact CE3-CD1 4.44Å; W1086-F1089 PolarHBondContact O-N 2.85Å; F1089-F1091 VanDerWaalsContact C-N 3.32Å; F1089-F1091 PolarHBondContact O-N 2.98Å; F1089-I1092 PolarHBondContact O-N 2.98Å; F1089-V1093 HydrophobicContact CD1-CG2 4.23Å; F1089-V1093 HydrophobicContact CD2-CG2 4.42Å; F1089-V1093 HydrophobicContact CE1-CG2 3.77Å; F1089-V1093 HydrophobicContact CE2-CG2 3.97Å; F1089-V1093 HydrophobicContact CZ-CG2 3.61Å; F1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; F1089-V1093 PolarHBondContact O-N 2.9Å; F1089-M1124 HydrophobicContact CE2-CE 3.73Å; F1089-M1124 HydrophobicContact CZ-CE 3.94Å; F1089-V1127 HydrophobicContact CE1-CB 4.09Å; F1089-V1127 HydrophobicContact CE1-CG1 4.08Å; F1089-V1127 HydrophobicContact CZ-CB 3.8Å; F1089-V1127 HydrophobicContact CZ-CG1 3.76Å; F1089-K1128 HydrophobicContact CD1-CG 4.48Å; F1089-K1128 HydrophobicContact CE1-CG 4.09Å
1090D89.4Confident88.6Confident6 Ų646 Ų463%0.03225%0.254CS..Hα-helixtrans-55.7-46.2176.4-173.211.3000111.8K1072 W1086 N1087 I1092 V1093 V1094 K1128K1072-D1090 IonicContact NZ-OD2 3.32Å; K1072-D1090 PolarHBondContact NZ-OD2 3.25Å; W1086-D1090 WeakPolarHBondContact O-CB 3.43Å; W1086-D1090 PolarHBondContact O-N 3.21Å; N1087-D1090 PolarHBondContact O-N 3.45Å; D1090-I1092 PolarHBondContact O-N 3.2Å; D1090-V1093 PolarHBondContact O-N 2.7Å; D1090-V1094 WeakPolarHBondContact O-CG2 2.99Å; D1090-V1094 PolarHBondContact O-N 3.02Å; D1090-K1128 WeakPolarHBondContact OD1-CE 3.32Å; D1090-K1128 IonicContact OD1-NZ 2.86Å; D1090-K1128 PolarHBondContact OD1-NZ 2.88Å
1091F92Very high88.4Confident70 Ų7045 Ų4531%0.30725%0.249SC..Hα-helixtrans-59.3-44.7175.9-178.6-97.8000112.8V1069 Y1081 F1082 N1087 V1088 F1089 V1094 L1095V1069-F1091 HydrophobicContact CG1-CD2 3.99Å; Y1081-F1091 HydrophobicContact CE1-CB 4.16Å; F1082-F1091 HydrophobicContact CE1-CD1 4.12Å; F1082-F1091 HydrophobicContact CE1-CG 4.25Å; F1082-F1091 HydrophobicContact CZ-CD1 4.38Å; F1082-F1091 HydrophobicContact CZ-CD2 4.45Å; F1082-F1091 HydrophobicContact CZ-CE1 4.45Å; F1082-F1091 HydrophobicContact CZ-CG 4.38Å; N1087-F1091 WeakPolarHBondContact O-CB 3.32Å; N1087-F1091 PolarHBondContact O-N 3.22Å; V1088-F1091 PolarHBondContact O-N 3.23Å; F1089-F1091 VanDerWaalsContact C-N 3.32Å; F1089-F1091 PolarHBondContact O-N 2.98Å; F1091-V1094 PolarHBondContact O-N 3.33Å; F1091-L1095 HydrophobicContact CE1-CD2 4.35Å; F1091-L1095 VanDerWaalsContact O-CB 3.31Å; F1091-L1095 WeakPolarHBondContact O-CB 3.38Å; F1091-L1095 PolarHBondContact O-N 3.37Å
1092I91.6Very high88.1Confident83 Ų8349.2 Ų49.243%0.42627%0.27SS..Hα-helixtrans-63.1-43.3178.3-68166.7000111V1088 F1089 D1090 L1095 G1096 F1121V1088-I1092 HydrophobicContact CG1-CD1 4.12Å; V1088-I1092 WeakPolarHBondContact O-CG1 3.43Å; V1088-I1092 PolarHBondContact O-N 3.22Å; V1088-I1092 VanDerWaalsContact O-N 3.09Å; F1089-I1092 PolarHBondContact O-N 2.98Å; D1090-I1092 PolarHBondContact O-N 3.2Å; I1092-L1095 PolarHBondContact O-N 2.61Å; I1092-G1096 PolarHBondContact O-N 3.2Å; I1092-F1121 HydrophobicContact CG2-CE1 4.36Å
1093V90.1Very high87.4Confident2 Ų247.3 Ų47.31%0.01227%0.267CS..Hα-helixtrans-64-42.9179.9171.90000111.5F1089 D1090 S1097 M1124 R1125F1089-V1093 HydrophobicContact CD1-CG2 4.23Å; F1089-V1093 HydrophobicContact CD2-CG2 4.42Å; F1089-V1093 HydrophobicContact CE1-CG2 3.77Å; F1089-V1093 HydrophobicContact CE2-CG2 3.97Å; F1089-V1093 HydrophobicContact CZ-CG2 3.61Å; F1089-V1093 WeakPolarHBondContact O-CG2 3.49Å; F1089-V1093 PolarHBondContact O-N 2.9Å; D1090-V1093 PolarHBondContact O-N 2.7Å; V1093-S1097 WeakPolarHBondContact O-CB 3.31Å; V1093-S1097 PolarHBondContact O-N 3.48Å; V1093-S1097 PolarHBondContact O-OG 3.02Å; V1093-M1124 HydrophobicContact CG2-CB 4.06Å; V1093-R1125 HydrophobicContact CG1-CB 4.34Å; V1093-R1125 HydrophobicContact CG1-CG 3.47Å; V1093-R1125 VanDerWaalsContact CG1-CG 3.47Å
1094V90.9Very high86.9Confident14 Ų1446.2 Ų46.29%0.08525%0.254CS..Hα-helixtrans-66.3-43.7176.3173.50000110.8F1065 A1066 V1069 D1090 F1091 S1097 V1098F1065-V1094 HydrophobicContact CB-CG2 3.78Å; A1066-V1094 HydrophobicContact CB-CG1 3.99Å; V1069-V1094 HydrophobicContact CG2-CB 4.37Å; V1069-V1094 HydrophobicContact CG2-CG2 3.82Å; D1090-V1094 WeakPolarHBondContact O-CG2 2.99Å; D1090-V1094 PolarHBondContact O-N 3.02Å; F1091-V1094 PolarHBondContact O-N 3.33Å; V1094-S1097 WeakPolarHBondContact O-CB 3.48Å; V1094-S1097 PolarHBondContact O-N 3.17Å; V1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; V1094-V1098 PolarHBondContact O-N 2.99Å
1095L91.2Very high86.6Confident90 Ų9050.7 Ų50.747%0.47127%0.27SS..Hα-helixtrans-60-49.1177.7-178.664.4000111.8F1091 I1092 S1097 V1098 I1099F1091-L1095 HydrophobicContact CE1-CD2 4.35Å; F1091-L1095 VanDerWaalsContact O-CB 3.31Å; F1091-L1095 WeakPolarHBondContact O-CB 3.38Å; F1091-L1095 PolarHBondContact O-N 3.37Å; I1092-L1095 PolarHBondContact O-N 2.61Å; L1095-S1097 VanDerWaalsContact C-N 3.29Å; L1095-S1097 PolarHBondContact O-N 3.39Å; L1095-V1098 PolarHBondContact O-N 3.03Å; L1095-I1099 HydrophobicContact CG-CD1 4.22Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.29Å; L1095-I1099 PolarHBondContact O-N 2.93Å
1096G88.5Confident86.1Confident3 Ų353.4 Ų53.43%0.03127%0.274CS..Hα-helixtrans-62.1-35.8177.100000113I1092 I1099 D1100I1092-G1096 PolarHBondContact O-N 3.2Å; G1096-I1099 PolarHBondContact O-N 3.29Å; G1096-D1100 PolarHBondContact O-N 3Å
1097S87.6Confident84.9Confident1 Ų151.3 Ų51.31%0.00728%0.277CS..Hα-helixtrans-66.7-35.7174.7-640000113.6V1093 V1094 L1095 I1101 R1125V1093-S1097 WeakPolarHBondContact O-CB 3.31Å; V1093-S1097 PolarHBondContact O-N 3.48Å; V1093-S1097 PolarHBondContact O-OG 3.02Å; V1094-S1097 WeakPolarHBondContact O-CB 3.48Å; V1094-S1097 PolarHBondContact O-N 3.17Å; L1095-S1097 VanDerWaalsContact C-N 3.29Å; L1095-S1097 PolarHBondContact O-N 3.39Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.37Å; S1097-I1101 PolarHBondContact O-N 3.43Å; S1097-R1125 PolarHBondContact OG-NE 3.09Å; S1097-R1125 PolarHBondContact OG-NH2 3.36Å
1098V87.7Confident83.2Confident59 Ų5955.9 Ų55.936%0.35831%0.306SS..Hα-helixtrans-69.7-40.8175.3171.20000110.2T1062 V1094 L1095 D1100 I1101 I1102T1062-V1098 HydrophobicContact CG2-CG2 4.45Å; V1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; V1094-V1098 PolarHBondContact O-N 2.99Å; L1095-V1098 PolarHBondContact O-N 3.03Å; V1098-D1100 VanDerWaalsContact C-N 3.33Å; V1098-D1100 PolarHBondContact O-N 3.47Å; V1098-I1101 PolarHBondContact O-N 3.15Å; V1098-I1102 HydrophobicContact CG1-CD1 3.81Å; V1098-I1102 HydrophobicContact CG1-CG1 4.5Å; V1098-I1102 VanDerWaalsContact O-CG1 3.29Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; V1098-I1102 PolarHBondContact O-N 3.26Å
1099I86.4Confident81.3Confident63 Ų6365 Ų6532%0.32334%0.335SS..Hα-helixtrans-60.6-43.8175.2-65.8166000110.5L1095 G1096 I1101 I1102 C1103 F1118L1095-I1099 HydrophobicContact CG-CD1 4.22Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.29Å; L1095-I1099 PolarHBondContact O-N 2.93Å; G1096-I1099 PolarHBondContact O-N 3.29Å; I1099-I1101 PolarHBondContact O-N 2.7Å; I1099-I1102 PolarHBondContact O-N 3.37Å; I1099-I1102 VanDerWaalsContact O-N 3.15Å; I1099-C1103 WeakPolarHBondContact O-CB 3.48Å; I1099-C1103 PolarHBondContact O-N 3.39Å; I1099-C1103 PolarHBondContact O-SG 3.44Å; I1099-F1118 HydrophobicContact CG2-CD1 3.9Å; I1099-F1118 HydrophobicContact CG2-CE1 3.72Å; I1099-F1118 HydrophobicContact CG2-CG 4.49Å; I1099-F1118 HydrophobicContact CG2-CZ 4.16Å
1100D83.5Confident79.7Confident3 Ų372.1 Ų72.12%0.01637%0.369CS..Hα-helixtrans-55.6-47.9176176.954.9000112.3G1096 V1098 I1102 C1103 S1104 F1118 R1122G1096-D1100 PolarHBondContact O-N 3Å; V1098-D1100 VanDerWaalsContact C-N 3.33Å; V1098-D1100 PolarHBondContact O-N 3.47Å; D1100-I1102 VanDerWaalsContact C-N 3.31Å; D1100-I1102 PolarHBondContact O-N 3.4Å; D1100-C1103 PolarHBondContact O-N 3.03Å; D1100-S1104 WeakPolarHBondContact O-CB 3.27Å; D1100-S1104 PolarHBondContact O-N 3.48Å; D1100-S1104 PolarHBondContact O-OG 3.46Å; D1100-F1118 HydrophobicContact CB-CB 4.09Å; D1100-R1122 IonicContact OD2-CZ 2.79Å; D1100-R1122 IonicContact OD2-NE 3.29Å; D1100-R1122 PolarHBondContact OD2-NE 3.05Å; D1100-R1122 IonicContact OD2-NH2 3.67Å; D1100-R1122 PolarHBondContact OD2-NH2 3.24Å
1101I82.4Confident78.1Confident35 Ų3574.1 Ų74.118%0.17938%0.384CS..Hα-helixtrans-64.8-35177.9-64.4167.5000112F1059 T1062 S1097 V1098 I1099 S1104 K1105F1059-I1101 HydrophobicContact CD2-CD1 4.36Å; T1062-I1101 HydrophobicContact CG2-CD1 3.81Å; S1097-I1101 WeakPolarHBondContact O-CG1 3.37Å; S1097-I1101 PolarHBondContact O-N 3.43Å; V1098-I1101 PolarHBondContact O-N 3.15Å; I1099-I1101 PolarHBondContact O-N 2.7Å; I1101-S1104 PolarHBondContact O-OG 3.25Å; I1101-K1105 WeakPolarHBondContact O-CG 3.31Å; I1101-K1105 PolarHBondContact O-N 3.4Å
1102I83.9Confident76.4Confident88 Ų8875.9 Ų75.945%0.45140%0.396SS..Hα-helixtrans-71.2-48.2177.8-67.8167.5000109.7V1098 I1099 D1100 S1104 K1105 L1106V1098-I1102 HydrophobicContact CG1-CD1 3.81Å; V1098-I1102 HydrophobicContact CG1-CG1 4.5Å; V1098-I1102 VanDerWaalsContact O-CG1 3.29Å; V1098-I1102 WeakPolarHBondContact O-CG1 3.44Å; V1098-I1102 PolarHBondContact O-N 3.26Å; I1099-I1102 PolarHBondContact O-N 3.37Å; I1099-I1102 VanDerWaalsContact O-N 3.15Å; D1100-I1102 VanDerWaalsContact C-N 3.31Å; D1100-I1102 PolarHBondContact O-N 3.4Å; I1102-S1104 VanDerWaalsContact C-N 3.33Å; I1102-S1104 PolarHBondContact O-N 3Å; I1102-K1105 PolarHBondContact O-N 2.92Å; I1102-K1105 VanDerWaalsContact O-N 3.16Å; I1102-L1106 HydrophobicContact CG2-CD1 3.86Å; I1102-L1106 WeakPolarHBondContact O-CD1 3.13Å; I1102-L1106 PolarHBondContact O-N 3.49Å
1103C77.7Confident74.6Confident45 Ų4578 Ų7830%0.30441%0.407SS..Hα-helixtrans-61.7-39.7178.6-76.20000112I1099 D1100 K1105 L1106 A1107I1099-C1103 WeakPolarHBondContact O-CB 3.48Å; I1099-C1103 PolarHBondContact O-N 3.39Å; I1099-C1103 PolarHBondContact O-SG 3.44Å; D1100-C1103 PolarHBondContact O-N 3.03Å; C1103-K1105 PolarHBondContact O-N 3.21Å; C1103-L1106 PolarHBondContact O-N 2.93Å; C1103-A1107 PolarHBondContact O-N 2.81Å; C1103-A1107 VanDerWaalsContact O-N 3.15Å
1104S74.4Confident73.3Confident59 Ų5980.9 Ų80.941%0.41343%0.426SS..Hα-helixtrans-63.4-29177.270.80000112.9D1100 I1101 I1102D1100-S1104 WeakPolarHBondContact O-CB 3.27Å; D1100-S1104 PolarHBondContact O-N 3.48Å; D1100-S1104 PolarHBondContact O-OG 3.46Å; I1101-S1104 PolarHBondContact O-OG 3.25Å; I1102-S1104 VanDerWaalsContact C-N 3.33Å; I1102-S1104 PolarHBondContact O-N 3Å
1105K78.6Confident72Confident165 Ų16581.7 Ų81.772%0.71743%0.43SS*.Hα-helixtrans-83.5-25.5174.7-70.5-175.2178.3-171.60114.2I1101 I1102 C1103I1101-K1105 WeakPolarHBondContact O-CG 3.31Å; I1101-K1105 PolarHBondContact O-N 3.4Å; I1102-K1105 PolarHBondContact O-N 2.92Å; I1102-K1105 VanDerWaalsContact O-N 3.16Å; C1103-K1105 PolarHBondContact O-N 3.21Å
1106L76.4Confident70.9Confident130 Ų13079.8 Ų79.868%0.68142%0.42SS*.Hα-helixtrans-94.1-8.1-176.2-93.581.3000114.4I1102 C1103 T1108I1102-L1106 HydrophobicContact CG2-CD1 3.86Å; I1102-L1106 WeakPolarHBondContact O-CD1 3.13Å; I1102-L1106 PolarHBondContact O-N 3.49Å; C1103-L1106 PolarHBondContact O-N 2.93Å; L1106-T1108 PolarHBondContact O-N 3.34Å
1107A60.2Low70.2Confident52 Ų5285.4 Ų85.443%0.4344%0.444SS..  trans-64.1107.3-165.700000114.2C1103C1103-A1107 PolarHBondContact O-N 2.81Å; C1103-A1107 VanDerWaalsContact O-N 3.15Å
1108T53.6Low69.7Low114 Ų11487.8 Ų87.870%0.69945%0.454SS*.  trans-85.2151157.748.50000110.2L1106 E1110 S1111L1106-T1108 PolarHBondContact O-N 3.34Å; T1108-E1110 PolarHBondContact O-N 3.32Å; T1108-S1111 PolarHBondContact O-N 3.42Å; T1108-S1111 PolarHBondContact O-OG 3.03Å
1109R52.4Low69.3Low238 Ų23887.7 Ų87.790%0.89845%0.447SS*.THydrogen-bonded Turntrans-45.1-15.6-164.8-105.7178.9174.8179.6-2.6118.7
1110E55.4Low69Low194 Ų19486.3 Ų86.391%0.90744%0.441SS*.THydrogen-bonded Turntrans-97.2-9.7-169.9-64.5-172.216600115T1108T1108-E1110 PolarHBondContact O-N 3.32Å
1111S56.3Low69Low49 Ų4988.4 Ų88.434%0.34345%0.45SS..  trans-105.927.9-173.3610000115.3T1108 I1113 S1114 M1115T1108-S1111 PolarHBondContact O-N 3.42Å; T1108-S1111 PolarHBondContact O-OG 3.03Å; S1111-I1113 VanDerWaalsContact C-N 3.32Å; S1111-I1113 PolarHBondContact O-N 3.3Å; S1111-S1114 PolarHBondContact O-N 2.84Å; S1111-S1114 PolarHBondContact O-OG 2.58Å; S1111-S1114 VanDerWaalsContact O-OG 3.05Å; S1111-M1115 PolarHBondContact O-N 3.35Å
1112L54.6Low69.1Low107 Ų10787.8 Ų87.856%0.5645%0.445SS*.Hα-helixtrans-63.6-30.1-172.7-70.6171.1000114.4M1115L1112-M1115 HydrophobicContact CD2-CE 3.94Å
1113I55.5Low69Low128 Ų12883.7 Ų83.766%0.65642%0.424SS*.Hα-helixtrans-77.7-40.4-176.3-59.3173.3000111.4S1111 M1115 N1116S1111-I1113 VanDerWaalsContact C-N 3.32Å; S1111-I1113 PolarHBondContact O-N 3.3Å; I1113-M1115 VanDerWaalsContact C-N 3.25Å; I1113-M1115 PolarHBondContact O-N 3.25Å; I1113-N1116 PolarHBondContact O-N 2.95Å
1114S61.2Low69.3Low61 Ų6184.7 Ų84.743%0.42743%0.425SS..Hα-helixtrans-67.8-28.617655.30000111.9S1111 N1116 F1117 F1118S1111-S1114 PolarHBondContact O-N 2.84Å; S1111-S1114 PolarHBondContact O-OG 2.58Å; S1111-S1114 VanDerWaalsContact O-OG 3.05Å; S1114-N1116 PolarHBondContact O-N 3.02Å; S1114-F1117 PolarHBondContact O-N 3.08Å; S1114-F1118 WeakPolarHBondContact O-CD2 3.37Å; S1114-F1118 PolarHBondContact O-N 2.89Å
1115M64.4Low69.9Low32 Ų3282 Ų8216%0.15841%0.406CS..Hα-helixtrans-62-41.8177.4-171.5179.76300112.9S1111 L1112 I1113 F1117 F1118 R1119S1111-M1115 PolarHBondContact O-N 3.35Å; L1112-M1115 HydrophobicContact CD2-CE 3.94Å; I1113-M1115 VanDerWaalsContact C-N 3.25Å; I1113-M1115 PolarHBondContact O-N 3.25Å; M1115-F1117 VanDerWaalsContact C-N 3.31Å; M1115-F1117 PolarHBondContact O-N 2.96Å; M1115-F1118 PolarHBondContact O-N 3.34Å; M1115-R1119 PolarHBondContact O-N 2.95Å
1116N69.2Low70.1Confident49 Ų4974.5 Ų74.526%0.26237%0.373SS..Hα-helixtrans-69-30.9179.6-72.2-14000112.5I1113 S1114 R1119I1113-N1116 PolarHBondContact O-N 2.95Å; S1114-N1116 PolarHBondContact O-N 3.02Å; N1116-R1119 WeakPolarHBondContact O-CB 3.13Å; N1116-R1119 PolarHBondContact O-N 3.11Å; N1116-R1119 PolarHBondContact OD1-NH1 2.93Å
1117F73.7Confident70.5Confident122 Ų12269.7 Ų69.754%0.53535%0.349SS..Hα-helixtrans-65-42.6175.3179.9-96.6000111.9S1114 M1115 R1119 L1120S1114-F1117 PolarHBondContact O-N 3.08Å; M1115-F1117 VanDerWaalsContact C-N 3.31Å; M1115-F1117 PolarHBondContact O-N 2.96Å; F1117-R1119 PolarHBondContact O-N 3.08Å; F1117-L1120 HydrophobicContact CD2-CD1 3.82Å; F1117-L1120 HydrophobicContact CE2-CD1 4.14Å; F1117-L1120 HydrophobicContact CG-CD1 4.49Å; F1117-L1120 WeakPolarHBondContact O-CB 3.43Å; F1117-L1120 WeakPolarHBondContact O-CG 2.87Å; F1117-L1120 PolarHBondContact O-N 3.44Å; F1117-L1120 VanDerWaalsContact O-N 3.09Å
1118F77.2Confident71.6Confident50 Ų5068 Ų6822%0.21933%0.333CS..Hα-helixtrans-66.1-26.4179.2-71.3-66.4000113.3I1099 D1100 S1114 M1115 L1120 F1121I1099-F1118 HydrophobicContact CG2-CD1 3.9Å; I1099-F1118 HydrophobicContact CG2-CE1 3.72Å; I1099-F1118 HydrophobicContact CG2-CG 4.49Å; I1099-F1118 HydrophobicContact CG2-CZ 4.16Å; D1100-F1118 HydrophobicContact CB-CB 4.09Å; S1114-F1118 WeakPolarHBondContact O-CD2 3.37Å; S1114-F1118 PolarHBondContact O-N 2.89Å; M1115-F1118 PolarHBondContact O-N 3.34Å; F1118-L1120 PolarHBondContact O-N 3.41Å; F1118-F1121 HydrophobicContact CD1-CD2 4.13Å; F1118-F1121 AromaticContact CD1-CE2 3.89Å; F1118-F1121 HydrophobicContact CD1-CE2 3.89Å; F1118-F1121 HydrophobicContact CE1-CE2 4.39Å; F1118-F1121 WeakPolarHBondContact O-CD2 3.21Å; F1118-F1121 PolarHBondContact O-N 3.36Å; F1118-F1121 VanDerWaalsContact O-N 3.13Å
1119R78Confident72.9Confident58 Ų5864.2 Ų64.222%0.21931%0.307CS..Hα-helixtrans-60.9-25.4173.1-65.7177.9-178.4179.2-3.4112.8M1115 N1116 F1117 F1121 R1122M1115-R1119 PolarHBondContact O-N 2.95Å; N1116-R1119 WeakPolarHBondContact O-CB 3.13Å; N1116-R1119 PolarHBondContact O-N 3.11Å; N1116-R1119 PolarHBondContact OD1-NH1 2.93Å; F1117-R1119 PolarHBondContact O-N 3.08Å; R1119-F1121 PolarHBondContact O-N 3.48Å; R1119-R1122 VanDerWaalsContact O-CB 3.3Å; R1119-R1122 WeakPolarHBondContact O-CB 3.43Å; R1119-R1122 WeakPolarHBondContact O-CG 3.32Å; R1119-R1122 PolarHBondContact O-N 3.26Å
1120L80.2Confident74.2Confident34 Ų3454.3 Ų54.318%0.17827%0.272CS..Hα-helixtrans-59.8-28.7175.8-63.4173000113M142 L146 F1117 F1118 R1122 V1123 M1124M142-L1120 HydrophobicContact CG-CD2 3.54Å; M142-L1120 HydrophobicContact SD-CD2 4.12Å; L146-L1120 HydrophobicContact CD1-CD2 4.06Å; L146-L1120 HydrophobicContact CD2-CD2 3.98Å; L146-L1120 HydrophobicContact CD2-CG 4.36Å; L146-L1120 HydrophobicContact CG-CD2 4.03Å; F1117-L1120 HydrophobicContact CD2-CD1 3.82Å; F1117-L1120 HydrophobicContact CE2-CD1 4.14Å; F1117-L1120 HydrophobicContact CG-CD1 4.49Å; F1117-L1120 WeakPolarHBondContact O-CB 3.43Å; F1117-L1120 WeakPolarHBondContact O-CG 2.87Å; F1117-L1120 PolarHBondContact O-N 3.44Å; F1117-L1120 VanDerWaalsContact O-N 3.09Å; F1118-L1120 PolarHBondContact O-N 3.41Å; L1120-R1122 PolarHBondContact O-N 3.01Å; L1120-V1123 PolarHBondContact O-N 3.04Å; L1120-M1124 WeakPolarHBondContact O-CG 3.25Å; L1120-M1124 PolarHBondContact O-N 3.24Å
1121F84Confident75Confident47 Ų4745.5 Ų45.521%0.20623%0.233CC..Hα-helixtrans-63.4-23.4176.7-74.9-73.3000113.1I1092 F1118 R1119I1092-F1121 HydrophobicContact CG2-CE1 4.36Å; F1118-F1121 HydrophobicContact CD1-CD2 4.13Å; F1118-F1121 AromaticContact CD1-CE2 3.89Å; F1118-F1121 HydrophobicContact CD1-CE2 3.89Å; F1118-F1121 HydrophobicContact CE1-CE2 4.39Å; F1118-F1121 WeakPolarHBondContact O-CD2 3.21Å; F1118-F1121 PolarHBondContact O-N 3.36Å; F1118-F1121 VanDerWaalsContact O-N 3.13Å; R1119-F1121 PolarHBondContact O-N 3.48Å
1122R83.6Confident76Confident22 Ų2247.1 Ų47.18%0.08323%0.232CC..Hα-helixtrans-65.4-45.7171.3-57.4-179.4-175.3-168.71.5110.4L1039 D1055 N1058 D1100 R1119 L1120 R1125L1039-R1122 HydrophobicContact CD1-CB 4.49Å; L1039-R1122 HydrophobicContact CD2-CB 4.12Å; D1055-R1122 IonicContact OD1-NH1 3.97Å; N1058-R1122 PolarHBondContact ND2-NH1 2.8Å; D1100-R1122 IonicContact OD2-CZ 2.79Å; D1100-R1122 IonicContact OD2-NE 3.29Å; D1100-R1122 PolarHBondContact OD2-NE 3.05Å; D1100-R1122 IonicContact OD2-NH2 3.67Å; D1100-R1122 PolarHBondContact OD2-NH2 3.24Å; R1119-R1122 VanDerWaalsContact O-CB 3.3Å; R1119-R1122 WeakPolarHBondContact O-CB 3.43Å; R1119-R1122 WeakPolarHBondContact O-CG 3.32Å; R1119-R1122 PolarHBondContact O-N 3.26Å; L1120-R1122 PolarHBondContact O-N 3.01Å; R1122-R1125 WeakPolarHBondContact O-CB 3.27Å; R1122-R1125 WeakPolarHBondContact O-CD 3.34Å; R1122-R1125 WeakPolarHBondContact O-CG 3.46Å; R1122-R1125 PolarHBondContact O-N 3.08Å
1123V82.6Confident76.9Confident2 Ų243.2 Ų43.21%0.01222%0.217CC..Hα-helixtrans-68.6-35.6179.3-169.90000111.6I138 V141 M142 E145 L1120 R1125 L1126I138-V1123 HydrophobicContact CG2-CG1 4.43Å; V141-V1123 HydrophobicContact CB-CG1 4.32Å; V141-V1123 HydrophobicContact CG1-CG1 4.05Å; V141-V1123 HydrophobicContact CG1-CG2 3.96Å; M142-V1123 HydrophobicContact CB-CG1 4.34Å; E145-V1123 HydrophobicContact CG-CG2 4.1Å; L1120-V1123 PolarHBondContact O-N 3.04Å; V1123-R1125 PolarHBondContact O-N 2.91Å; V1123-L1126 WeakPolarHBondContact O-CB 3.39Å; V1123-L1126 PolarHBondContact O-N 2.97Å
1124M84.8Confident77.8Confident66 Ų6643.7 Ų43.733%0.32522%0.217SC..THydrogen-bonded Turntrans-59.2-18.3177.4-69.2-61.9-71.900113.9F1089 V1093 L1120 L1126 V1127F1089-M1124 HydrophobicContact CE2-CE 3.73Å; F1089-M1124 HydrophobicContact CZ-CE 3.94Å; V1093-M1124 HydrophobicContact CG2-CB 4.06Å; L1120-M1124 WeakPolarHBondContact O-CG 3.25Å; L1120-M1124 PolarHBondContact O-N 3.24Å; M1124-L1126 PolarHBondContact O-N 3.05Å; M1124-V1127 HydrophobicContact CE-CG2 4.48Å; M1124-V1127 WeakPolarHBondContact O-CB 3.43Å; M1124-V1127 PolarHBondContact O-N 3.27Å; M1124-V1127 HydrophobicContact SD-CG2 4.28Å
1125R85.2Confident78.3Confident3 Ų342.5 Ų42.51%0.01121%0.214CC..THydrogen-bonded Turntrans-62.7-33.2171.5-61.3169.6-173.4-174.94.3112.2N1035 T1062 F1065 V1093 S1097 R1122 V1123 V1127 K1128N1035-R1125 WeakPolarHBondContact OD1-CD 3.04Å; T1062-R1125 PolarHBondContact OG1-NH1 2.76Å; T1062-R1125 PolarHBondContact OG1-NH2 3.01Å; F1065-R1125 HydrophobicContact CE2-CG 4.4Å; V1093-R1125 HydrophobicContact CG1-CB 4.34Å; V1093-R1125 HydrophobicContact CG1-CG 3.47Å; V1093-R1125 VanDerWaalsContact CG1-CG 3.47Å; S1097-R1125 PolarHBondContact OG-NE 3.09Å; S1097-R1125 PolarHBondContact OG-NH2 3.36Å; R1122-R1125 WeakPolarHBondContact O-CB 3.27Å; R1122-R1125 WeakPolarHBondContact O-CD 3.34Å; R1122-R1125 WeakPolarHBondContact O-CG 3.46Å; R1122-R1125 PolarHBondContact O-N 3.08Å; V1123-R1125 PolarHBondContact O-N 2.91Å; R1125-V1127 PolarHBondContact O-N 3.29Å; R1125-K1128 WeakPolarHBondContact O-CB 3.28Å; R1125-K1128 VanDerWaalsContact O-CG 3.31Å; R1125-K1128 WeakPolarHBondContact O-CG 3.26Å; R1125-K1128 PolarHBondContact O-N 3.48Å; R1125-K1128 VanDerWaalsContact O-N 3.13Å
1126L83.5Confident78.9Confident6 Ų642.1 Ų42.13%0.03121%0.213CC..G310 helixtrans-58-41178.2-17368000110.7F134 I137 I138 T1036 V1123 M1124 K1128 L1129F134-L1126 HydrophobicContact CE2-CD1 4.17Å; F134-L1126 HydrophobicContact CE2-CG 4.02Å; F134-L1126 HydrophobicContact CZ-CD1 4.41Å; F134-L1126 HydrophobicContact CZ-CD2 4.5Å; F134-L1126 HydrophobicContact CZ-CG 3.81Å; F134-L1126 WeakPolarHBondContact CZ-O 3.18Å; I137-L1126 HydrophobicContact CG2-CD2 4.02Å; I138-L1126 HydrophobicContact CB-CD2 4.03Å; I138-L1126 HydrophobicContact CG1-CD2 3.35Å; I138-L1126 HydrophobicContact CG1-CG 4.04Å; T1036-L1126 HydrophobicContact CG2-CD1 3.38Å; T1036-L1126 WeakPolarHBondContact OG1-CD1 3.46Å; V1123-L1126 WeakPolarHBondContact O-CB 3.39Å; V1123-L1126 PolarHBondContact O-N 2.97Å; M1124-L1126 PolarHBondContact O-N 3.05Å; L1126-K1128 PolarHBondContact O-N 2.91Å; L1126-L1129 HydrophobicContact CD1-CD1 3.8Å; L1126-L1129 VanDerWaalsContact O-CB 3.31Å; L1126-L1129 WeakPolarHBondContact O-CB 3.41Å; L1126-L1129 WeakPolarHBondContact O-CG 3.34Å; L1126-L1129 PolarHBondContact O-N 3.46Å
1127V84.1Confident79.4Confident29 Ų2944.7 Ų44.718%0.17622%0.219CC..G310 helixtrans-55.7-24.4179.7-178.40000112.4F1089 M1124 R1125 L1129 L1130F1089-V1127 HydrophobicContact CE1-CB 4.09Å; F1089-V1127 HydrophobicContact CE1-CG1 4.08Å; F1089-V1127 HydrophobicContact CZ-CB 3.8Å; F1089-V1127 HydrophobicContact CZ-CG1 3.76Å; M1124-V1127 HydrophobicContact CE-CG2 4.48Å; M1124-V1127 WeakPolarHBondContact O-CB 3.43Å; M1124-V1127 PolarHBondContact O-N 3.27Å; M1124-V1127 HydrophobicContact SD-CG2 4.28Å; R1125-V1127 PolarHBondContact O-N 3.29Å; V1127-L1129 PolarHBondContact O-N 3.27Å; V1127-L1130 HydrophobicContact CG1-CD1 4.23Å; V1127-L1130 WeakPolarHBondContact O-CB 3.14Å; V1127-L1130 PolarHBondContact O-N 2.89Å
1128K83.4Confident79.7Confident18 Ų1841.3 Ų41.38%0.07821%0.208CC..G310 helixtrans-58.4-27.2173.8-64.6179.2171.3-1720113.1I1032 F1089 D1090 R1125 L1126 L1130 G1131I1032-K1128 HydrophobicContact CD1-CB 3.84Å; I1032-K1128 HydrophobicContact CD1-CD 4.16Å; F1089-K1128 HydrophobicContact CD1-CG 4.48Å; F1089-K1128 HydrophobicContact CE1-CG 4.09Å; D1090-K1128 WeakPolarHBondContact OD1-CE 3.32Å; D1090-K1128 IonicContact OD1-NZ 2.86Å; D1090-K1128 PolarHBondContact OD1-NZ 2.88Å; R1125-K1128 WeakPolarHBondContact O-CB 3.28Å; R1125-K1128 VanDerWaalsContact O-CG 3.31Å; R1125-K1128 WeakPolarHBondContact O-CG 3.26Å; R1125-K1128 PolarHBondContact O-N 3.48Å; R1125-K1128 VanDerWaalsContact O-N 3.13Å; L1126-K1128 PolarHBondContact O-N 2.91Å; K1128-L1130 VanDerWaalsContact C-N 3.27Å; K1128-L1130 PolarHBondContact O-N 3.42Å; K1128-G1131 PolarHBondContact O-N 3.23Å; K1128-G1131 VanDerWaalsContact O-N 3.16Å
1129L82.4Confident79.6Confident33 Ų3339.7 Ų39.717%0.17320%0.201CC..G310 helixtrans-62-34.6175.5-65.8178.3000112F134 L1029 I1032 I1033 L1126 V1127 G1131 R1132F134-L1129 HydrophobicContact CE2-CB 3.72Å; F134-L1129 HydrophobicContact CE2-CD1 3.75Å; F134-L1129 HydrophobicContact CE2-CG 4.3Å; F134-L1129 HydrophobicContact CZ-CB 3.82Å; F134-L1129 HydrophobicContact CZ-CD1 4.4Å; L1029-L1129 HydrophobicContact CD1-CD2 3.31Å; L1029-L1129 HydrophobicContact CG-CD2 4.46Å; I1032-L1129 HydrophobicContact CB-CD2 4.05Å; I1032-L1129 HydrophobicContact CG2-CD1 4.05Å; I1032-L1129 HydrophobicContact CG2-CD2 3.69Å; I1032-L1129 HydrophobicContact CG2-CG 3.63Å; I1033-L1129 HydrophobicContact CG1-CD2 4.35Å; L1126-L1129 HydrophobicContact CD1-CD1 3.8Å; L1126-L1129 VanDerWaalsContact O-CB 3.31Å; L1126-L1129 WeakPolarHBondContact O-CB 3.41Å; L1126-L1129 WeakPolarHBondContact O-CG 3.34Å; L1126-L1129 PolarHBondContact O-N 3.46Å; V1127-L1129 PolarHBondContact O-N 3.27Å; L1129-G1131 PolarHBondContact O-N 3.47Å; L1129-R1132 PolarHBondContact O-N 3.09Å
1130L78.3Confident79.6Confident30 Ų3038.6 Ų38.616%0.15720%0.201CC..G310 helixtrans-63.2-30.1176.1-64.9176.4000112.5L131 F134 W1086 V1127 K1128 R1132 I1136L131-L1130 HydrophobicContact CD1-CD2 4.14Å; F134-L1130 HydrophobicContact CD1-CD1 4.22Å; F134-L1130 HydrophobicContact CD1-CD2 3.44Å; F134-L1130 VanDerWaalsContact CD1-CD2 3.44Å; F134-L1130 HydrophobicContact CD1-CG 3.86Å; F134-L1130 HydrophobicContact CE1-CD1 3.73Å; F134-L1130 HydrophobicContact CE1-CD2 3.46Å; F134-L1130 VanDerWaalsContact CE1-CD2 3.46Å; F134-L1130 HydrophobicContact CE1-CG 3.32Å; F134-L1130 HydrophobicContact CG-CD2 4.22Å; F134-L1130 HydrophobicContact CZ-CD2 4.27Å; F134-L1130 HydrophobicContact CZ-CG 4.01Å; W1086-L1130 HydrophobicContact CH2-CB 4.49Å; V1127-L1130 HydrophobicContact CG1-CD1 4.23Å; V1127-L1130 WeakPolarHBondContact O-CB 3.14Å; V1127-L1130 PolarHBondContact O-N 2.89Å; K1128-L1130 VanDerWaalsContact C-N 3.27Å; K1128-L1130 PolarHBondContact O-N 3.42Å; L1130-R1132 VanDerWaalsContact C-N 3.27Å; L1130-R1132 PolarHBondContact O-N 2.93Å; L1130-I1136 HydrophobicContact CD2-CG2 3.67Å
1131G73.2Confident79.7Confident9 Ų944 Ų449%0.09322%0.219CC..G310 helixtrans-71.5-19.7-179.500000114.2W1086 K1128 L1129W1086-G1131 VanDerWaalsContact CH2-CA 3.47Å; K1128-G1131 PolarHBondContact O-N 3.23Å; K1128-G1131 VanDerWaalsContact O-N 3.16Å; L1129-G1131 PolarHBondContact O-N 3.47Å
1132R76.7Confident79.4Confident84 Ų8443.1 Ų43.132%0.31722%0.218SC..THydrogen-bonded Turntrans-96.9-30.4-176.9-63-60.9178.285.54.1113.7E1025 L1129 L1130 E1134E1025-R1132 PolarHBondContact O-NH1 3.1Å; L1129-R1132 PolarHBondContact O-N 3.09Å; L1130-R1132 VanDerWaalsContact C-N 3.27Å; L1130-R1132 PolarHBondContact O-N 2.93Å; R1132-E1134 PolarHBondContact O-N 3.31Å; R1132-E1134 VanDerWaalsContact O-N 3.11Å
1133G73.5Confident79Confident24 Ų2442.3 Ų42.325%0.24722%0.215CC..  trans-73.299.5175.400000111.4G1135 I1136 R1137G1133-G1135 VanDerWaalsContact C-N 3.28Å; G1133-G1135 PolarHBondContact O-N 2.95Å; G1133-I1136 PolarHBondContact O-N 3.31Å; G1133-R1137 VanDerWaalsContact O-CB 3.28Å; G1133-R1137 WeakPolarHBondContact O-CB 3.37Å; G1133-R1137 PolarHBondContact O-N 3.09Å
1134E74.3Confident79Confident139 Ų13946.2 Ų46.265%0.6524%0.235SC*.Hα-helixtrans-54.3-43.2-178.2-66.9-175.5167.200112.6R1132 T1138R1132-E1134 PolarHBondContact O-N 3.31Å; R1132-E1134 VanDerWaalsContact O-N 3.11Å; E1134-T1138 VanDerWaalsContact O-CB 3.31Å; E1134-T1138 WeakPolarHBondContact O-CB 3.43Å; E1134-T1138 PolarHBondContact O-N 3.1Å; E1134-T1138 PolarHBondContact O-OG1 3.39Å
1135G73.2Confident78.8Confident36 Ų3647.5 Ų47.537%0.37124%0.239SC..Hα-helixtrans-64.7-47.3177.100000113G1133 T1138 L1139G1133-G1135 VanDerWaalsContact C-N 3.28Å; G1133-G1135 PolarHBondContact O-N 2.95Å; G1135-T1138 PolarHBondContact O-N 2.88Å; G1135-L1139 VanDerWaalsContact O-CB 3.24Å; G1135-L1139 WeakPolarHBondContact O-CB 3.3Å; G1135-L1139 PolarHBondContact O-N 2.93Å
1136I75.8Confident78.6Confident24 Ų2447.6 Ų47.612%0.12324%0.24CC..Hα-helixtrans-64.8-45.6179.4-51168.9000110.2L130 L131 L1130 G1133 T1138 L1139 V1140L130-I1136 HydrophobicContact CD2-CD1 3.27Å; L130-I1136 HydrophobicContact CD2-CG1 4.03Å; L131-I1136 HydrophobicContact CD1-CG2 3.78Å; L1130-I1136 HydrophobicContact CD2-CG2 3.67Å; G1133-I1136 PolarHBondContact O-N 3.31Å; I1136-T1138 PolarHBondContact O-N 3.32Å; I1136-L1139 PolarHBondContact O-N 3.29Å; I1136-V1140 HydrophobicContact CG2-CG2 4.27Å; I1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; I1136-V1140 PolarHBondContact O-N 3.11Å
1137R81Confident78.4Confident103 Ų10350.5 Ų50.539%0.38925%0.253SS..Hα-helixtrans-60.4-45.6178.3-175.8-177.868.6-170.9-1111.4W1086 G1133 L1139 V1140 W1141W1086-R1137 HydrophobicContact CZ2-CG 4.36Å; G1133-R1137 VanDerWaalsContact O-CB 3.28Å; G1133-R1137 WeakPolarHBondContact O-CB 3.37Å; G1133-R1137 PolarHBondContact O-N 3.09Å; R1137-L1139 VanDerWaalsContact C-N 3.31Å; R1137-L1139 PolarHBondContact O-N 2.76Å; R1137-V1140 PolarHBondContact O-N 3.11Å; R1137-W1141 WeakPolarHBondContact O-CB 3.38Å; R1137-W1141 PolarHBondContact O-N 3.19Å
1138T79Confident78.4Confident50 Ų5055.1 Ų55.131%0.30727%0.273SS..Hα-helixtrans-63.6-41.5178.3-56.30000110.6E1134 G1135 I1136 W1141 T1142 Y1274E1134-T1138 VanDerWaalsContact O-CB 3.31Å; E1134-T1138 WeakPolarHBondContact O-CB 3.43Å; E1134-T1138 PolarHBondContact O-N 3.1Å; E1134-T1138 PolarHBondContact O-OG1 3.39Å; G1135-T1138 PolarHBondContact O-N 2.88Å; I1136-T1138 PolarHBondContact O-N 3.32Å; T1138-W1141 PolarHBondContact O-N 3.4Å; T1138-T1142 HydrophobicContact CG2-CG2 4.35Å; T1138-T1142 WeakPolarHBondContact O-CB 3.43Å; T1138-T1142 VanDerWaalsContact O-CG2 3.24Å; T1138-T1142 WeakPolarHBondContact O-CG2 3.15Å; T1138-T1142 PolarHBondContact O-N 3.4Å; T1138-T1142 PolarHBondContact O-OG1 3.37Å; T1138-Y1274 HydrophobicContact CG2-CE2 3.86Å; T1138-Y1274 WeakPolarHBondContact CG2-OH 3.26Å
1139L74.3Confident78.2Confident16 Ų1657.3 Ų57.38%0.08429%0.294CS..Hα-helixtrans-66.1-45.6178.1-176.9151.4000112.4V128 L131 L255 G1135 I1136 R1137 W1141 T1142 F1143V128-L1139 HydrophobicContact CG2-CD1 4.2Å; L131-L1139 HydrophobicContact CD2-CD2 3.7Å; L255-L1139 HydrophobicContact CD1-CD1 3.89Å; L255-L1139 HydrophobicContact CD1-CD2 3.55Å; L255-L1139 HydrophobicContact CD1-CG 3.67Å; L255-L1139 HydrophobicContact CD2-CD1 4.15Å; L255-L1139 HydrophobicContact CD2-CD2 3.45Å; L255-L1139 VanDerWaalsContact CD2-CD2 3.45Å; L255-L1139 HydrophobicContact CD2-CG 4.26Å; L255-L1139 HydrophobicContact CG-CD1 4.37Å; L255-L1139 HydrophobicContact CG-CD2 4.1Å; G1135-L1139 VanDerWaalsContact O-CB 3.24Å; G1135-L1139 WeakPolarHBondContact O-CB 3.3Å; G1135-L1139 PolarHBondContact O-N 2.93Å; I1136-L1139 PolarHBondContact O-N 3.29Å; R1137-L1139 VanDerWaalsContact C-N 3.31Å; R1137-L1139 PolarHBondContact O-N 2.76Å; L1139-W1141 VanDerWaalsContact C-N 3.34Å; L1139-W1141 PolarHBondContact O-N 2.94Å; L1139-T1142 WeakPolarHBondContact CA-OG1 3.41Å; L1139-T1142 PolarHBondContact O-OG1 2.91Å; L1139-F1143 PolarHBondContact O-N 3.47Å; L1139-F1143 VanDerWaalsContact O-N 3.13Å
1140V78.1Confident78.1Confident36 Ų3657.1 Ų57.122%0.21829%0.293CS..Hα-helixtrans-65.1-40.4176172.10000110.5L131 I1136 R1137 F1143 L1144L131-V1140 HydrophobicContact CD1-CG2 4.01Å; L131-V1140 HydrophobicContact CD2-CG2 4.2Å; I1136-V1140 HydrophobicContact CG2-CG2 4.27Å; I1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; I1136-V1140 PolarHBondContact O-N 3.11Å; R1137-V1140 PolarHBondContact O-N 3.11Å; V1140-F1143 PolarHBondContact O-N 3.33Å; V1140-L1144 HydrophobicContact CG1-CD1 3.79Å; V1140-L1144 HydrophobicContact CG1-CG 4.25Å; V1140-L1144 WeakPolarHBondContact O-CB 3.39Å; V1140-L1144 VanDerWaalsContact O-CG 3.25Å; V1140-L1144 WeakPolarHBondContact O-CG 3.41Å; V1140-L1144 PolarHBondContact O-N 3.21Å
1141W83Confident78.5Confident147 Ų14758.9 Ų58.956%0.55731%0.306SS*.Hα-helixtrans-66.1-45.5178.2177.2-108.2000113.2R1137 T1138 L1139 F1143 L1144 K1145R1137-W1141 WeakPolarHBondContact O-CB 3.38Å; R1137-W1141 PolarHBondContact O-N 3.19Å; T1138-W1141 PolarHBondContact O-N 3.4Å; L1139-W1141 VanDerWaalsContact C-N 3.34Å; L1139-W1141 PolarHBondContact O-N 2.94Å; W1141-F1143 VanDerWaalsContact C-N 3.3Å; W1141-F1143 PolarHBondContact O-N 3.43Å; W1141-L1144 PolarHBondContact O-N 3.18Å; W1141-K1145 HydrophobicContact CD2-CG 4.19Å; W1141-K1145 HydrophobicContact CZ2-CD 4.2Å; W1141-K1145 HydrophobicContact CZ2-CG 4.22Å; W1141-K1145 WeakPolarHBondContact O-CB 3.3Å; W1141-K1145 VanDerWaalsContact O-CG 3.29Å; W1141-K1145 WeakPolarHBondContact O-CG 3.44Å; W1141-K1145 PolarHBondContact O-N 3.45Å
1142T78.2Confident79.1Confident28 Ų2863.8 Ų63.817%0.17232%0.323CS..Hα-helixtrans-59.5-43.117744.30000110.9T1138 L1139 K1145 S1146 N1271 Y1274T1138-T1142 HydrophobicContact CG2-CG2 4.35Å; T1138-T1142 WeakPolarHBondContact O-CB 3.43Å; T1138-T1142 VanDerWaalsContact O-CG2 3.24Å; T1138-T1142 WeakPolarHBondContact O-CG2 3.15Å; T1138-T1142 PolarHBondContact O-N 3.4Å; T1138-T1142 PolarHBondContact O-OG1 3.37Å; L1139-T1142 WeakPolarHBondContact CA-OG1 3.41Å; L1139-T1142 PolarHBondContact O-OG1 2.91Å; T1142-K1145 WeakPolarHBondContact O-CB 3.32Å; T1142-K1145 PolarHBondContact O-N 3.1Å; T1142-S1146 PolarHBondContact O-N 2.62Å; T1142-S1146 VanDerWaalsContact O-N 3.16Å; T1142-S1146 PolarHBondContact O-OG 2.97Å; T1142-N1271 PolarHBondContact O-OD1 3.1Å; T1142-Y1274 HydrophobicContact CG2-CD1 4.38Å; T1142-Y1274 HydrophobicContact CG2-CD2 4.05Å; T1142-Y1274 HydrophobicContact CG2-CE2 4.22Å; T1142-Y1274 HydrophobicContact CG2-CG 4.13Å
1143F75.8Confident79.5Confident5 Ų560.6 Ų60.62%0.02231%0.312CS..Hα-helixtrans-68.2-46176.8-159.4-91.4000113.5F251 N254 L1139 V1140 W1141 K1145 S1146 F1147 I1267F251-F1143 HydrophobicContact CB-CE1 4.31Å; F251-F1143 AromaticContact CD2-CD1 3.22Å; F251-F1143 HydrophobicContact CD2-CD1 3.22Å; F251-F1143 AromaticContact CD2-CE1 3.1Å; F251-F1143 HydrophobicContact CD2-CE1 3.1Å; F251-F1143 HydrophobicContact CD2-CG 4.15Å; F251-F1143 HydrophobicContact CD2-CZ 4.07Å; F251-F1143 HydrophobicContact CE2-CB 3.91Å; F251-F1143 AromaticContact CE2-CD1 2.93Å; F251-F1143 HydrophobicContact CE2-CD1 2.93Å; F251-F1143 AromaticContact CE2-CE1 3.42Å; F251-F1143 HydrophobicContact CE2-CE1 3.42Å; F251-F1143 VanDerWaalsContact CE2-CE1 3.42Å; F251-F1143 AromaticContact CE2-CG 3.57Å; F251-F1143 HydrophobicContact CE2-CG 3.57Å; F251-F1143 HydrophobicContact CE2-CZ 4.44Å; F251-F1143 HydrophobicContact CG-CD1 4.16Å; F251-F1143 AromaticContact CG-CE1 3.76Å; F251-F1143 HydrophobicContact CG-CE1 3.76Å; F251-F1143 HydrophobicContact CG-CZ 4.32Å; F251-F1143 HydrophobicContact CZ-CB 3.88Å; F251-F1143 AromaticContact CZ-CD1 3.66Å; F251-F1143 HydrophobicContact CZ-CD1 3.66Å; F251-F1143 HydrophobicContact CZ-CE1 4.22Å; F251-F1143 AromaticContact CZ-CG 3.8Å; F251-F1143 HydrophobicContact CZ-CG 3.8Å; N254-F1143 HydrophobicContact CB-CE2 3.64Å; N254-F1143 HydrophobicContact CB-CZ 3.56Å; L1139-F1143 PolarHBondContact O-N 3.47Å; L1139-F1143 VanDerWaalsContact O-N 3.13Å; V1140-F1143 PolarHBondContact O-N 3.33Å; W1141-F1143 VanDerWaalsContact C-N 3.3Å; W1141-F1143 PolarHBondContact O-N 3.43Å; F1143-K1145 PolarHBondContact O-N 3.27Å; F1143-S1146 WeakPolarHBondContact O-CA 3.26Å; F1143-S1146 WeakPolarHBondContact O-CB 3.34Å; F1143-S1146 PolarHBondContact O-N 2.76Å; F1143-F1147 AromaticContact CD1-CD2 3.76Å; F1143-F1147 HydrophobicContact CD1-CD2 3.76Å; F1143-F1147 AromaticContact CD1-CE2 3.75Å; F1143-F1147 HydrophobicContact CD1-CE2 3.75Å; F1143-F1147 AromaticContact CE1-CD2 3.64Å; F1143-F1147 HydrophobicContact CE1-CD2 3.64Å; F1143-F1147 AromaticContact CE1-CE2 3.15Å; F1143-F1147 HydrophobicContact CE1-CE2 3.15Å; F1143-F1147 AromaticContact CE1-CZ 3.8Å; F1143-F1147 HydrophobicContact CE1-CZ 3.8Å; F1143-F1147 HydrophobicContact CZ-CE2 4.12Å; F1143-F1147 HydrophobicContact CZ-CZ 4.36Å; F1143-F1147 PolarHBondContact O-N 3.03Å; F1143-F1147 VanDerWaalsContact O-N 3.12Å; F1143-I1267 HydrophobicContact CD2-CG2 4.03Å; F1143-I1267 HydrophobicContact CE2-CG2 3.45Å; F1143-I1267 VanDerWaalsContact CE2-CG2 3.45Å; F1143-I1267 HydrophobicContact CZ-CD1 4.36Å; F1143-I1267 HydrophobicContact CZ-CG2 3.9Å
1144L81.7Confident80.2Confident84 Ų8462 Ų6244%0.4432%0.316SS..Hα-helixtrans-60.3-35.2176-74.9175000111.9V1140 W1141 S1146 Q1148V1140-L1144 HydrophobicContact CG1-CD1 3.79Å; V1140-L1144 HydrophobicContact CG1-CG 4.25Å; V1140-L1144 WeakPolarHBondContact O-CB 3.39Å; V1140-L1144 VanDerWaalsContact O-CG 3.25Å; V1140-L1144 WeakPolarHBondContact O-CG 3.41Å; V1140-L1144 PolarHBondContact O-N 3.21Å; W1141-L1144 PolarHBondContact O-N 3.18Å; L1144-S1146 VanDerWaalsContact C-N 3.28Å; L1144-S1146 PolarHBondContact O-N 2.98Å; L1144-Q1148 WeakPolarHBondContact O-CG 3.45Å; L1144-Q1148 PolarHBondContact O-N 3.07Å
1145K80.8Confident80.8Confident93 Ų9359.3 Ų59.340%0.40431%0.305SS..Hα-helixtrans-63.8-34.2173.2-80.6-74166.2-154.70112.8W1141 T1142 F1143 Q1148 A1149W1141-K1145 HydrophobicContact CD2-CG 4.19Å; W1141-K1145 HydrophobicContact CZ2-CD 4.2Å; W1141-K1145 HydrophobicContact CZ2-CG 4.22Å; W1141-K1145 WeakPolarHBondContact O-CB 3.3Å; W1141-K1145 VanDerWaalsContact O-CG 3.29Å; W1141-K1145 WeakPolarHBondContact O-CG 3.44Å; W1141-K1145 PolarHBondContact O-N 3.45Å; T1142-K1145 WeakPolarHBondContact O-CB 3.32Å; T1142-K1145 PolarHBondContact O-N 3.1Å; F1143-K1145 PolarHBondContact O-N 3.27Å; K1145-Q1148 VanDerWaalsContact NZ-OE1 3.1Å; K1145-Q1148 WeakPolarHBondContact O-CB 3.2Å; K1145-Q1148 PolarHBondContact O-N 3.48Å; K1145-A1149 PolarHBondContact O-N 3.18Å
1146S81Confident81.5Confident5 Ų558.6 Ų58.64%0.03529%0.293CS..Hα-helixtrans-71.7-42.9179.3-54.70000112T1142 F1143 L1144 Q1148 A1149 L1150 N1271T1142-S1146 PolarHBondContact O-N 2.62Å; T1142-S1146 VanDerWaalsContact O-N 3.16Å; T1142-S1146 PolarHBondContact O-OG 2.97Å; F1143-S1146 WeakPolarHBondContact O-CA 3.26Å; F1143-S1146 WeakPolarHBondContact O-CB 3.34Å; F1143-S1146 PolarHBondContact O-N 2.76Å; L1144-S1146 VanDerWaalsContact C-N 3.28Å; L1144-S1146 PolarHBondContact O-N 2.98Å; S1146-Q1148 PolarHBondContact O-N 3.4Å; S1146-A1149 WeakPolarHBondContact O-CB 3.3Å; S1146-A1149 PolarHBondContact O-N 3.16Å; S1146-L1150 PolarHBondContact O-N 3.38Å; S1146-N1271 WeakPolarHBondContact CB-ND2 3.35Å; S1146-N1271 PolarHBondContact OG-ND2 3.32Å; S1146-N1271 PolarHBondContact OG-OD1 3.07Å
1147F78.9Confident82.1Confident67 Ų6758.7 Ų58.729%0.29429%0.294SS..Hα-helixtrans-60.1-36.1171.5-87.3-54.3000112.8F251 F1143 A1149 L1150 L1263 I1267F251-F1147 HydrophobicContact CD2-CE2 4.35Å; F1143-F1147 AromaticContact CD1-CD2 3.76Å; F1143-F1147 HydrophobicContact CD1-CD2 3.76Å; F1143-F1147 AromaticContact CD1-CE2 3.75Å; F1143-F1147 HydrophobicContact CD1-CE2 3.75Å; F1143-F1147 AromaticContact CE1-CD2 3.64Å; F1143-F1147 HydrophobicContact CE1-CD2 3.64Å; F1143-F1147 AromaticContact CE1-CE2 3.15Å; F1143-F1147 HydrophobicContact CE1-CE2 3.15Å; F1143-F1147 AromaticContact CE1-CZ 3.8Å; F1143-F1147 HydrophobicContact CE1-CZ 3.8Å; F1143-F1147 HydrophobicContact CZ-CE2 4.12Å; F1143-F1147 HydrophobicContact CZ-CZ 4.36Å; F1143-F1147 PolarHBondContact O-N 3.03Å; F1143-F1147 VanDerWaalsContact O-N 3.12Å; F1147-A1149 PolarHBondContact O-N 3Å; F1147-L1150 PolarHBondContact O-N 3.04Å; F1147-L1263 HydrophobicContact CE1-CD2 4.39Å; F1147-I1267 HydrophobicContact CD1-CD1 3.98Å; F1147-I1267 HydrophobicContact CE1-CD1 3.55Å; F1147-I1267 HydrophobicContact CZ-CD1 4Å
1148Q84.7Confident82.6Confident127 Ų12757.9 Ų57.959%0.59330%0.3SS*.Hα-helixtrans-66.5-24.4174.9-72.4177.9-4.500113.1L1144 K1145 S1146L1144-Q1148 WeakPolarHBondContact O-CG 3.45Å; L1144-Q1148 PolarHBondContact O-N 3.07Å; K1145-Q1148 VanDerWaalsContact NZ-OE1 3.1Å; K1145-Q1148 WeakPolarHBondContact O-CB 3.2Å; K1145-Q1148 PolarHBondContact O-N 3.48Å; S1146-Q1148 PolarHBondContact O-N 3.4Å
1149A78.1Confident83Confident63 Ų6356.5 Ų56.552%0.52129%0.291SS..Hα-helixtrans-79.5-23.7177.300000113K1145 S1146 F1147 P1151 D1270K1145-A1149 PolarHBondContact O-N 3.18Å; S1146-A1149 WeakPolarHBondContact O-CB 3.3Å; S1146-A1149 PolarHBondContact O-N 3.16Å; F1147-A1149 PolarHBondContact O-N 3Å; A1149-P1151 VanDerWaalsContact O-CD 3.25Å; A1149-P1151 WeakPolarHBondContact O-CD 3.26Å; A1149-D1270 WeakPolarHBondContact CB-OD2 3.38Å
1150L81.5Confident83.8Confident29 Ų2956.9 Ų56.915%0.15229%0.293CS..  trans-115.739.8-172.4-58.4171.9000115.9S1146 F1147 Y1152 V1153 V1154 A1266 I1267S1146-L1150 PolarHBondContact O-N 3.38Å; F1147-L1150 PolarHBondContact O-N 3.04Å; L1150-Y1152 PolarHBondContact O-N 3.5Å; L1150-Y1152 VanDerWaalsContact O-N 3.15Å; L1150-V1153 HydrophobicContact CB-CG2 4.46Å; L1150-V1153 PolarHBondContact O-N 3.29Å; L1150-V1154 PolarHBondContact O-N 3.2Å; L1150-A1266 HydrophobicContact CD1-CB 3.43Å; L1150-A1266 VanDerWaalsContact CD1-CB 3.43Å; L1150-A1266 HydrophobicContact CD2-CB 4.13Å; L1150-A1266 HydrophobicContact CG-CB 4.42Å; L1150-I1267 HydrophobicContact CD1-CG1 3.89Å
1151P86.1Confident84.6Confident68 Ų6856.2 Ų56.244%0.44229%0.287SS..Hα-helixtrans-64-28-175.228.3-35.5000112.9A1149 L1155A1149-P1151 VanDerWaalsContact O-CD 3.25Å; A1149-P1151 WeakPolarHBondContact O-CD 3.26Å; P1151-L1155 VanDerWaalsContact O-CB 3.3Å; P1151-L1155 WeakPolarHBondContact O-CB 3.04Å; P1151-L1155 PolarHBondContact O-N 2.87Å
1152Y86.3Confident85Confident112 Ų11251 Ų5144%0.43927%0.268SS..Hα-helixtrans-73.7-27.3-179-63.9-68.7000113.6L1150 L1156L1150-Y1152 PolarHBondContact O-N 3.5Å; L1150-Y1152 VanDerWaalsContact O-N 3.15Å; Y1152-L1156 PolarHBondContact O-N 3.08Å; Y1152-L1156 VanDerWaalsContact O-N 3.12Å
1153V85.1Confident85.6Confident16 Ų1650.6 Ų50.610%0.09727%0.265CS..Hα-helixtrans-72.9-45.8174.7-176.70000109.5V821 L1150 L1155 L1156 I1157 L1263V821-V1153 HydrophobicContact CG1-CG2 4.03Å; V821-V1153 HydrophobicContact CG2-CG2 4.27Å; L1150-V1153 HydrophobicContact CB-CG2 4.46Å; L1150-V1153 PolarHBondContact O-N 3.29Å; V1153-L1155 VanDerWaalsContact C-N 3.3Å; V1153-L1155 PolarHBondContact O-N 3.29Å; V1153-L1156 WeakPolarHBondContact O-CB 3.45Å; V1153-L1156 PolarHBondContact O-N 3.43Å; V1153-L1156 VanDerWaalsContact O-N 3.08Å; V1153-I1157 PolarHBondContact O-N 2.91Å; V1153-I1157 VanDerWaalsContact O-N 3.13Å; V1153-L1263 HydrophobicContact CB-CD1 4.21Å; V1153-L1263 HydrophobicContact CG1-CB 4Å; V1153-L1263 HydrophobicContact CG1-CD1 3.94Å
1154V86.4Confident86.4Confident53 Ų5351.7 Ų51.732%0.32127%0.269SS..Hα-helixtrans-59.6-42.7173.91790000110.9L1150 L1156 I1157 V1158 L1263L1150-V1154 PolarHBondContact O-N 3.2Å; V1154-L1156 VanDerWaalsContact C-N 3.27Å; V1154-L1156 PolarHBondContact O-N 2.66Å; V1154-I1157 PolarHBondContact O-N 3.22Å; V1154-V1158 WeakPolarHBondContact O-CG2 3.02Å; V1154-V1158 PolarHBondContact O-N 3.45Å; V1154-L1263 HydrophobicContact CG2-CD1 4.02Å
1155L87.3Confident86.9Confident83 Ų8347.7 Ų47.744%0.43525%0.248SC..Hα-helixtrans-61.1-34.7175.8-17466.5000112.7L818 P1151 V1153 L1159L818-L1155 HydrophobicContact CD2-CD2 4.44Å; P1151-L1155 VanDerWaalsContact O-CB 3.3Å; P1151-L1155 WeakPolarHBondContact O-CB 3.04Å; P1151-L1155 PolarHBondContact O-N 2.87Å; V1153-L1155 VanDerWaalsContact C-N 3.3Å; V1153-L1155 PolarHBondContact O-N 3.29Å; L1155-L1159 VanDerWaalsContact O-CB 3.28Å; L1155-L1159 WeakPolarHBondContact O-CB 3.21Å; L1155-L1159 PolarHBondContact O-N 2.88Å
1156L88.1Confident87.3Confident21 Ų2143.3 Ų43.311%0.1123%0.229CC..Hα-helixtrans-67.6-39.6175.8-176.462.9000111.7L818 V821 V822 V825 Y1152 V1153 V1154 L1159 L1160 L1259L818-L1156 HydrophobicContact CD1-CB 3.87Å; L818-L1156 HydrophobicContact CD1-CD1 4.02Å; L818-L1156 HydrophobicContact CD1-CG 4.48Å; V821-L1156 HydrophobicContact CG1-CD2 3.94Å; V822-L1156 HydrophobicContact CG2-CD1 3.97Å; V822-L1156 HydrophobicContact CG2-CD2 4.34Å; V825-L1156 HydrophobicContact CG2-CD2 4.41Å; Y1152-L1156 PolarHBondContact O-N 3.08Å; Y1152-L1156 VanDerWaalsContact O-N 3.12Å; V1153-L1156 WeakPolarHBondContact O-CB 3.45Å; V1153-L1156 PolarHBondContact O-N 3.43Å; V1153-L1156 VanDerWaalsContact O-N 3.08Å; V1154-L1156 VanDerWaalsContact C-N 3.27Å; V1154-L1156 PolarHBondContact O-N 2.66Å; L1156-L1159 PolarHBondContact O-N 3.28Å; L1156-L1160 PolarHBondContact O-N 2.98Å; L1156-L1259 HydrophobicContact CD2-CD2 3.59Å; L1156-L1259 HydrophobicContact CG-CD1 4.25Å; L1156-L1259 HydrophobicContact CG-CD2 4.19Å
1157I89.8Confident87.7Confident26 Ų2644.2 Ų44.213%0.13323%0.233CC..Hα-helixtrans-63.5-48.9174.2-64.6169.5000110V1153 V1154 L1159 L1160 F1161 L1259 L1263V1153-I1157 PolarHBondContact O-N 2.91Å; V1153-I1157 VanDerWaalsContact O-N 3.13Å; V1154-I1157 PolarHBondContact O-N 3.22Å; I1157-L1159 VanDerWaalsContact C-N 3.25Å; I1157-L1159 PolarHBondContact O-N 2.9Å; I1157-L1160 WeakPolarHBondContact O-CB 3.28Å; I1157-L1160 PolarHBondContact O-N 2.78Å; I1157-L1160 VanDerWaalsContact O-N 3.07Å; I1157-F1161 HydrophobicContact CG2-CD2 3.85Å; I1157-F1161 HydrophobicContact CG2-CE2 3.66Å; I1157-F1161 VanDerWaalsContact O-CD2 3.24Å; I1157-F1161 WeakPolarHBondContact O-CD2 3.36Å; I1157-F1161 PolarHBondContact O-N 3.22Å; I1157-L1259 HydrophobicContact CG1-CB 3.94Å; I1157-L1259 HydrophobicContact CG1-CD1 4.44Å; I1157-L1263 HydrophobicContact CD1-CB 4.27Å; I1157-L1263 HydrophobicContact CD1-CD2 3.92Å
1158V89.8Confident88.3Confident87 Ų8741 Ų4153%0.52722%0.219SC..Hα-helixtrans-58.9-39.1177173.80000111.3V1154 F1161 F1162V1154-V1158 WeakPolarHBondContact O-CG2 3.02Å; V1154-V1158 PolarHBondContact O-N 3.45Å; V1158-F1161 PolarHBondContact O-N 3.26Å; V1158-F1162 VanDerWaalsContact O-CB 3.29Å; V1158-F1162 WeakPolarHBondContact O-CB 3.12Å; V1158-F1162 PolarHBondContact O-N 3.46Å
1159L88.9Confident88.4Confident21 Ų2135.1 Ų35.111%0.1119%0.191CC..Hα-helixtrans-64.6-40.1175.6-177.765.1000112.4P808 L809 I812 L818 L1155 L1156 I1157 F1162 I1163P808-L1159 HydrophobicContact CB-CD1 3.53Å; L809-L1159 HydrophobicContact CD2-CD2 4.33Å; I812-L1159 HydrophobicContact CD1-CD2 4.02Å; I812-L1159 HydrophobicContact CG1-CD2 3.99Å; L818-L1159 HydrophobicContact CD2-CD2 4.19Å; L1155-L1159 VanDerWaalsContact O-CB 3.28Å; L1155-L1159 WeakPolarHBondContact O-CB 3.21Å; L1155-L1159 PolarHBondContact O-N 2.88Å; L1156-L1159 PolarHBondContact O-N 3.28Å; I1157-L1159 VanDerWaalsContact C-N 3.25Å; I1157-L1159 PolarHBondContact O-N 2.9Å; L1159-F1162 PolarHBondContact O-N 3.02Å; L1159-I1163 HydrophobicContact CD1-CD1 4.24Å; L1159-I1163 HydrophobicContact CG-CD1 4.08Å; L1159-I1163 VanDerWaalsContact O-CG1 3.3Å; L1159-I1163 WeakPolarHBondContact O-CG1 3.33Å; L1159-I1163 PolarHBondContact O-N 2.98Å
1160L91.1Very high88.7Confident24 Ų2433.9 Ų33.913%0.12618%0.175CC..Hα-helixtrans-61-52.6174.7-174.485000110.4L1156 I1157 F1162 I1163 Y1164 F1252 L1255 L1259L1156-L1160 PolarHBondContact O-N 2.98Å; I1157-L1160 WeakPolarHBondContact O-CB 3.28Å; I1157-L1160 PolarHBondContact O-N 2.78Å; I1157-L1160 VanDerWaalsContact O-N 3.07Å; L1160-F1162 VanDerWaalsContact C-N 3.27Å; L1160-F1162 PolarHBondContact O-N 3.45Å; L1160-I1163 PolarHBondContact O-N 3.15Å; L1160-I1163 VanDerWaalsContact O-N 3.16Å; L1160-Y1164 HydrophobicContact CD1-CD2 4.01Å; L1160-Y1164 HydrophobicContact CD1-CE2 3.68Å; L1160-Y1164 HydrophobicContact CG-CD2 4.01Å; L1160-Y1164 HydrophobicContact CG-CE2 4.15Å; L1160-Y1164 WeakPolarHBondContact O-CD2 3.31Å; L1160-Y1164 PolarHBondContact O-N 3.35Å; L1160-F1252 HydrophobicContact CD2-CD2 4.39Å; L1160-F1252 HydrophobicContact CD2-CE2 4.29Å; L1160-L1255 HydrophobicContact CD1-CB 4.17Å; L1160-L1255 HydrophobicContact CD1-CD1 4.1Å; L1160-L1255 HydrophobicContact CD2-CB 4.16Å; L1160-L1259 HydrophobicContact CB-CD1 4.35Å; L1160-L1259 HydrophobicContact CD2-CD1 4.11Å
1161F93Very high88.9Confident21 Ų2134 Ų349%0.09218%0.177CC..Hα-helixtrans-58.1-41.7179.3-83.9-120.2000111.3I1157 V1158 A1165 L1196 L1199 F1200 A1203 F1252I1157-F1161 HydrophobicContact CG2-CD2 3.85Å; I1157-F1161 HydrophobicContact CG2-CE2 3.66Å; I1157-F1161 VanDerWaalsContact O-CD2 3.24Å; I1157-F1161 WeakPolarHBondContact O-CD2 3.36Å; I1157-F1161 PolarHBondContact O-N 3.22Å; V1158-F1161 PolarHBondContact O-N 3.26Å; F1161-A1165 WeakPolarHBondContact O-CB 3.44Å; F1161-A1165 PolarHBondContact O-N 3.47Å; F1161-L1196 HydrophobicContact CB-CD1 3.79Å; F1161-L1196 HydrophobicContact CD1-CD1 3.86Å; F1161-L1196 HydrophobicContact CG-CD1 4.34Å; F1161-L1199 HydrophobicContact CD1-CB 4.38Å; F1161-F1200 HydrophobicContact CE1-CB 4.32Å; F1161-F1200 HydrophobicContact CE1-CD2 4.33Å; F1161-A1203 HydrophobicContact CE1-CB 4.25Å; F1161-A1203 HydrophobicContact CZ-CB 3.62Å; F1161-F1252 HydrophobicContact CD2-CE2 4.26Å; F1161-F1252 HydrophobicContact CD2-CZ 4.42Å; F1161-F1252 HydrophobicContact CE1-CZ 4.23Å; F1161-F1252 HydrophobicContact CE2-CE2 4.3Å; F1161-F1252 HydrophobicContact CE2-CZ 4.09Å; F1161-F1252 HydrophobicContact CZ-CZ 4.01Å
1162F91.5Very high89Confident37 Ų3730.9 Ų30.916%0.16216%0.156CC..Hα-helixtrans-59.4-48.2176.1-178.9-84.5000112.3S717 A721 P808 V1158 L1159 L1160 A1165 V1166 F1192S717-F1162 WeakPolarHBondContact O-CZ 3.44Å; A721-F1162 HydrophobicContact CB-CE2 4.12Å; A721-F1162 HydrophobicContact CB-CZ 4.39Å; P808-F1162 HydrophobicContact CB-CD1 4.28Å; P808-F1162 HydrophobicContact CB-CE1 4.33Å; P808-F1162 HydrophobicContact CG-CD1 3.7Å; P808-F1162 HydrophobicContact CG-CE1 3.38Å; P808-F1162 HydrophobicContact CG-CZ 4.45Å; V1158-F1162 VanDerWaalsContact O-CB 3.29Å; V1158-F1162 WeakPolarHBondContact O-CB 3.12Å; V1158-F1162 PolarHBondContact O-N 3.46Å; L1159-F1162 PolarHBondContact O-N 3.02Å; L1160-F1162 VanDerWaalsContact C-N 3.27Å; L1160-F1162 PolarHBondContact O-N 3.45Å; F1162-A1165 PolarHBondContact O-N 2.86Å; F1162-V1166 HydrophobicContact CE1-CG2 4.05Å; F1162-V1166 HydrophobicContact CZ-CG2 4.04Å; F1162-V1166 WeakPolarHBondContact O-CG2 3.42Å; F1162-V1166 PolarHBondContact O-N 3.28Å; F1162-F1192 AromaticContact CD2-CE2 3.69Å; F1162-F1192 HydrophobicContact CD2-CE2 3.69Å; F1162-F1192 AromaticContact CD2-CZ 3.52Å; F1162-F1192 HydrophobicContact CD2-CZ 3.52Å; F1162-F1192 AromaticContact CE2-CE2 3.88Å; F1162-F1192 HydrophobicContact CE2-CE2 3.88Å; F1162-F1192 AromaticContact CE2-CZ 3.92Å; F1162-F1192 HydrophobicContact CE2-CZ 3.92Å; F1162-F1192 HydrophobicContact CG-CE2 4.35Å; F1162-F1192 HydrophobicContact CG-CZ 4.41Å
1163I91.1Very high89Confident20 Ų2025.6 Ų25.610%0.10314%0.136CC..Hα-helixtrans-64.4-47.7-178.2-70.1165.5000110.5V805 L809 L1159 L1160 V1166 I1167V805-I1163 HydrophobicContact CG1-CG2 4.3Å; V805-I1163 HydrophobicContact CG2-CG2 4.18Å; V805-I1163 WeakPolarHBondContact CG2-O 3.4Å; L809-I1163 HydrophobicContact CD1-CD1 4.43Å; L809-I1163 HydrophobicContact CD2-CD1 3.51Å; L809-I1163 HydrophobicContact CG-CD1 3.8Å; L1159-I1163 HydrophobicContact CD1-CD1 4.24Å; L1159-I1163 HydrophobicContact CG-CD1 4.08Å; L1159-I1163 VanDerWaalsContact O-CG1 3.3Å; L1159-I1163 WeakPolarHBondContact O-CG1 3.33Å; L1159-I1163 PolarHBondContact O-N 2.98Å; L1160-I1163 PolarHBondContact O-N 3.15Å; L1160-I1163 VanDerWaalsContact O-N 3.16Å; I1163-V1166 PolarHBondContact O-N 3.08Å; I1163-I1167 HydrophobicContact CG2-CD1 3.87Å; I1163-I1167 VanDerWaalsContact O-CG1 3.31Å; I1163-I1167 WeakPolarHBondContact O-CG1 3.35Å; I1163-I1167 PolarHBondContact O-N 2.85Å; I1163-I1167 VanDerWaalsContact O-N 3.09Å
1164Y93Very high89Confident29 Ų2926.7 Ų26.711%0.11414%0.139CC..Hα-helixtrans-66.2-40.3179.4-84.2-97.5000111.5L1160 V1166 I1167 G1168 Y1248 S1251 F1252 L1255L1160-Y1164 HydrophobicContact CD1-CD2 4.01Å; L1160-Y1164 HydrophobicContact CD1-CE2 3.68Å; L1160-Y1164 HydrophobicContact CG-CD2 4.01Å; L1160-Y1164 HydrophobicContact CG-CE2 4.15Å; L1160-Y1164 WeakPolarHBondContact O-CD2 3.31Å; L1160-Y1164 PolarHBondContact O-N 3.35Å; Y1164-V1166 VanDerWaalsContact C-N 3.33Å; Y1164-V1166 PolarHBondContact O-N 3.19Å; Y1164-I1167 PolarHBondContact O-N 3.32Å; Y1164-I1167 VanDerWaalsContact O-N 3.15Å; Y1164-G1168 PolarHBondContact O-N 3.34Å; Y1164-Y1248 AromaticContact CD1-CD2 3.88Å; Y1164-Y1248 HydrophobicContact CD1-CD2 3.88Å; Y1164-Y1248 AromaticContact CD1-CE2 3.48Å; Y1164-Y1248 HydrophobicContact CD1-CE2 3.48Å; Y1164-Y1248 VanDerWaalsContact CD1-CE2 3.48Å; Y1164-Y1248 AromaticContact CD1-CZ 3.86Å; Y1164-Y1248 HydrophobicContact CE1-CD2 4.18Å; Y1164-Y1248 HydrophobicContact CE1-CE2 4.24Å; Y1164-Y1248 HydrophobicContact CG-CE2 4.33Å; Y1164-Y1248 PolarHBondContact O-OH 2.92Å; Y1164-S1251 PolarHBondContact OH-OG 3.16Å; Y1164-F1252 HydrophobicContact CD1-CB 3.76Å; Y1164-F1252 AromaticContact CD1-CD2 3.83Å; Y1164-F1252 HydrophobicContact CD1-CD2 3.83Å; Y1164-F1252 HydrophobicContact CD1-CG 4.17Å; Y1164-F1252 AromaticContact CD2-CD2 3.98Å; Y1164-F1252 HydrophobicContact CD2-CD2 3.98Å; Y1164-F1252 HydrophobicContact CE1-CB 3.64Å; Y1164-F1252 HydrophobicContact CE1-CD2 4.31Å; Y1164-F1252 HydrophobicContact CE1-CG 4.46Å; Y1164-F1252 HydrophobicContact CE2-CD2 4.45Å; Y1164-F1252 HydrophobicContact CG-CB 4.44Å; Y1164-F1252 AromaticContact CG-CD2 3.64Å; Y1164-F1252 HydrophobicContact CG-CD2 3.64Å; Y1164-F1252 HydrophobicContact CG-CE2 4.43Å; Y1164-F1252 HydrophobicContact CG-CG 4.44Å; Y1164-L1255 HydrophobicContact CE2-CD1 4.4Å
1165A93.1Very high89.1Confident0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-59.7-43.1178.900000112F1161 F1162 G1168 M1169 F1192 L1199F1161-A1165 WeakPolarHBondContact O-CB 3.44Å; F1161-A1165 PolarHBondContact O-N 3.47Å; F1162-A1165 PolarHBondContact O-N 2.86Å; A1165-G1168 PolarHBondContact O-N 3.19Å; A1165-M1169 WeakPolarHBondContact O-CB 3.45Å; A1165-M1169 PolarHBondContact O-N 2.62Å; A1165-F1192 HydrophobicContact CB-CD2 3.9Å; A1165-F1192 HydrophobicContact CB-CE2 3.64Å; A1165-F1192 HydrophobicContact CB-CZ 4.43Å; A1165-L1199 VanDerWaalsContact CA-CD1 3.48Å; A1165-L1199 HydrophobicContact CB-CD1 3.82Å
1166V89.5Confident89.1Confident0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-68.4-39176.91750000111.5V805 F1162 I1163 Y1164 Q1170 F1192V805-V1166 HydrophobicContact CB-CG1 4.24Å; V805-V1166 HydrophobicContact CG2-CB 3.59Å; V805-V1166 HydrophobicContact CG2-CG1 3.58Å; V805-V1166 HydrophobicContact CG2-CG2 4.49Å; F1162-V1166 HydrophobicContact CE1-CG2 4.05Å; F1162-V1166 HydrophobicContact CZ-CG2 4.04Å; F1162-V1166 WeakPolarHBondContact O-CG2 3.42Å; F1162-V1166 PolarHBondContact O-N 3.28Å; I1163-V1166 PolarHBondContact O-N 3.08Å; Y1164-V1166 VanDerWaalsContact C-N 3.33Å; Y1164-V1166 PolarHBondContact O-N 3.19Å; V1166-Q1170 WeakPolarHBondContact O-CG 3.5Å; V1166-Q1170 PolarHBondContact O-N 3.29Å; V1166-Q1170 VanDerWaalsContact O-N 3.08Å; V1166-F1192 HydrophobicContact CG2-CD2 4.01Å; V1166-F1192 HydrophobicContact CG2-CE2 4.05Å
1167I89.4Confident89.1Confident25 Ų2523.4 Ų23.413%0.12812%0.124CC..Hα-helixtrans-62.6-47.7174-67.5168.3000110.5V802 V805 I1163 Y1164 M1169 Q1170 V1171 F1244 Y1248V802-I1167 HydrophobicContact CG1-CG1 4.2Å; V802-I1167 HydrophobicContact CG1-CG2 4.39Å; V805-I1167 HydrophobicContact CB-CG1 4.28Å; V805-I1167 HydrophobicContact CG1-CD1 3.93Å; V805-I1167 HydrophobicContact CG1-CG1 3.73Å; V805-I1167 HydrophobicContact CG2-CG1 4.14Å; I1163-I1167 HydrophobicContact CG2-CD1 3.87Å; I1163-I1167 VanDerWaalsContact O-CG1 3.31Å; I1163-I1167 WeakPolarHBondContact O-CG1 3.35Å; I1163-I1167 PolarHBondContact O-N 2.85Å; I1163-I1167 VanDerWaalsContact O-N 3.09Å; Y1164-I1167 PolarHBondContact O-N 3.32Å; Y1164-I1167 VanDerWaalsContact O-N 3.15Å; I1167-M1169 VanDerWaalsContact C-N 3.35Å; I1167-M1169 PolarHBondContact O-N 3.07Å; I1167-Q1170 PolarHBondContact O-N 3.42Å; I1167-V1171 HydrophobicContact CG2-CG2 4.25Å; I1167-V1171 WeakPolarHBondContact O-CB 3.35Å; I1167-V1171 WeakPolarHBondContact O-CG2 3.37Å; I1167-V1171 PolarHBondContact O-N 2.91Å; I1167-F1244 HydrophobicContact CG2-CE1 4.28Å; I1167-Y1248 HydrophobicContact CB-CE2 4.06Å; I1167-Y1248 HydrophobicContact CG2-CD2 3.9Å; I1167-Y1248 HydrophobicContact CG2-CE2 3.74Å
1168G89.8Confident88.9Confident0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-59.9-43.7178.700000112Y1164 A1165 Q1170 V1171 F1172Y1164-G1168 PolarHBondContact O-N 3.34Å; A1165-G1168 PolarHBondContact O-N 3.19Å; G1168-Q1170 PolarHBondContact O-N 3.48Å; G1168-V1171 PolarHBondContact O-N 2.83Å; G1168-F1172 WeakPolarHBondContact O-CA 3.38Å; G1168-F1172 WeakPolarHBondContact O-CB 3.34Å; G1168-F1172 PolarHBondContact O-N 3.03Å
1169M88.3Confident88.5Confident2 Ų226 Ų261%0.0114%0.135CC..Hα-helixtrans-60.4-44.2175.6-170.5179.28000112.4E723 P725 A1165 I1167 G1173 F1189 F1192E723-M1169 HydrophobicContact CB-CE 4.12Å; E723-M1169 WeakPolarHBondContact O-CE 3.35Å; P725-M1169 HydrophobicContact CB-CG 4.45Å; P725-M1169 WeakPolarHBondContact CB-O 3.38Å; P725-M1169 HydrophobicContact CG-CG 3.96Å; A1165-M1169 WeakPolarHBondContact O-CB 3.45Å; A1165-M1169 PolarHBondContact O-N 2.62Å; I1167-M1169 VanDerWaalsContact C-N 3.35Å; I1167-M1169 PolarHBondContact O-N 3.07Å; M1169-G1173 VanDerWaalsContact O-CA 3.32Å; M1169-G1173 WeakPolarHBondContact O-CA 3.5Å; M1169-G1173 PolarHBondContact O-N 3.49Å; M1169-G1173 VanDerWaalsContact O-N 3.11Å; M1169-F1189 WeakPolarHBondContact CA-O 3.35Å; M1169-F1189 WeakPolarHBondContact CG-O 3.42Å; M1169-F1192 HydrophobicContact SD-CB 4.32Å
1170Q83.5Confident88Confident37 Ų3733.4 Ų33.417%0.17317%0.169CC..Hα-helixtrans-72.9-29.7-179.1-72.4-178.6-12.700113.9E723 V1166 I1167 G1168E723-Q1170 PolarHBondContact OE2-NE2 2.73Å; V1166-Q1170 WeakPolarHBondContact O-CG 3.5Å; V1166-Q1170 PolarHBondContact O-N 3.29Å; V1166-Q1170 VanDerWaalsContact O-N 3.08Å; I1167-Q1170 PolarHBondContact O-N 3.42Å; G1168-Q1170 PolarHBondContact O-N 3.48Å
1171V85.3Confident87.8Confident31 Ų3133.4 Ų33.419%0.18817%0.17CC..Hα-helixtrans-91.6-49.2-178.3179.50000111.8V802 I1167 G1168 F1244V802-V1171 HydrophobicContact CG2-CG2 4.43Å; I1167-V1171 HydrophobicContact CG2-CG2 4.25Å; I1167-V1171 WeakPolarHBondContact O-CB 3.35Å; I1167-V1171 WeakPolarHBondContact O-CG2 3.37Å; I1167-V1171 PolarHBondContact O-N 2.91Å; G1168-V1171 PolarHBondContact O-N 2.83Å; V1171-F1244 HydrophobicContact CG1-CD1 4.45Å
1172F89.3Confident87.6Confident3 Ų335.3 Ų35.31%0.01318%0.179CC..Hα-helixtrans-103.8-6.4-170.6-52.2-57.8000114.1G1168 K1174 I1175 F1189 C1215 A1245 Y1248G1168-F1172 WeakPolarHBondContact O-CA 3.38Å; G1168-F1172 WeakPolarHBondContact O-CB 3.34Å; G1168-F1172 PolarHBondContact O-N 3.03Å; F1172-K1174 PolarHBondContact O-N 3.17Å; F1172-I1175 HydrophobicContact CB-CD1 4.02Å; F1172-I1175 HydrophobicContact CD1-CD1 4.21Å; F1172-I1175 WeakPolarHBondContact O-CG1 3.49Å; F1172-I1175 PolarHBondContact O-N 3.13Å; F1172-F1189 HydrophobicContact CB-CB 3.97Å; F1172-F1189 HydrophobicContact CB-CD2 3.68Å; F1172-F1189 HydrophobicContact CB-CE2 4.41Å; F1172-F1189 HydrophobicContact CB-CG 3.94Å; F1172-F1189 HydrophobicContact CD2-CD2 4.23Å; F1172-F1189 HydrophobicContact CD2-CE2 4.22Å; F1172-F1189 HydrophobicContact CD2-CG 4.49Å; F1172-F1189 HydrophobicContact CD2-CZ 4.48Å; F1172-F1189 HydrophobicContact CG-CD2 4.34Å; F1172-C1215 HydrophobicContact CD1-CB 3.78Å; F1172-C1215 HydrophobicContact CE1-CB 3.72Å; F1172-C1215 HydrophobicContact CG-CB 4.31Å; F1172-C1215 HydrophobicContact CZ-CB 4.21Å; F1172-A1245 HydrophobicContact CE1-CB 4.09Å; F1172-A1245 HydrophobicContact CZ-CB 3.97Å; F1172-Y1248 AromaticContact CE2-CD1 3.86Å; F1172-Y1248 HydrophobicContact CE2-CD1 3.86Å; F1172-Y1248 HydrophobicContact CE2-CD2 4.48Å; F1172-Y1248 HydrophobicContact CE2-CE1 4.07Å; F1172-Y1248 HydrophobicContact CE2-CG 4.09Å
1173G86.4Confident87.5Confident1 Ų133.7 Ų33.71%0.0117%0.172CC..THydrogen-bonded Turntrans-64.5-3.1-177.300000116.1M1169 F1189M1169-G1173 VanDerWaalsContact O-CA 3.32Å; M1169-G1173 WeakPolarHBondContact O-CA 3.5Å; M1169-G1173 PolarHBondContact O-N 3.49Å; M1169-G1173 VanDerWaalsContact O-N 3.11Å; G1173-F1189 VanDerWaalsContact CA-O 3.28Å; G1173-F1189 WeakPolarHBondContact CA-O 3.46Å
1174K85.2Confident87.5Confident40 Ų4034 Ų3417%0.17417%0.173CC..THydrogen-bonded Turntrans-100.9-7.7-178.4-57.9179.9179.5-170.20114.5F1172 D1224 F1227F1172-K1174 PolarHBondContact O-N 3.17Å; K1174-D1224 PolarHBondContact O-N 3.08Å; K1174-F1227 HydrophobicContact CD-CD2 4.07Å; K1174-F1227 HydrophobicContact CD-CE1 4.27Å; K1174-F1227 HydrophobicContact CD-CE2 3.81Å; K1174-F1227 HydrophobicContact CD-CG 4.43Å; K1174-F1227 HydrophobicContact CD-CZ 3.94Å; K1174-F1227 HydrophobicContact CG-CD2 4.44Å
1175I88Confident87.3Confident8 Ų837.7 Ų37.74%0.04119%0.187CC..BIsolated β-bridgetrans-67.5133.7-179.4-62.6172.4000108.5F1172 I1183 V1221 C1240F1172-I1175 HydrophobicContact CB-CD1 4.02Å; F1172-I1175 HydrophobicContact CD1-CD1 4.21Å; F1172-I1175 WeakPolarHBondContact O-CG1 3.49Å; F1172-I1175 PolarHBondContact O-N 3.13Å; I1175-I1183 HydrophobicContact CB-CG2 4.39Å; I1175-I1183 HydrophobicContact CG2-CB 4.34Å; I1175-I1183 HydrophobicContact CG2-CG2 3.95Å; I1175-V1221 HydrophobicContact CB-CG1 4.42Å; I1175-V1221 HydrophobicContact CD1-CG1 3.94Å; I1175-V1221 HydrophobicContact CG1-CG1 3.87Å; I1175-V1221 HydrophobicContact CG2-CG1 3.74Å; I1175-C1240 HydrophobicContact CG1-CB 4.39Å
1176A87.6Confident87.1Confident25 Ų2538.6 Ų38.621%0.20719%0.191CC..PPolyproline II helixtrans-62.9140176.100000110.3N1178 V1222A1176-N1178 PolarHBondContact O-N 3.42Å; A1176-V1222 VanDerWaalsContact CB-O 3.25Å; A1176-V1222 WeakPolarHBondContact CB-O 3.39Å; A1176-V1222 PolarHBondContact N-O 3.05Å
1177L88.7Confident87.2Confident55 Ų5538.6 Ų38.629%0.28819%0.191SC..PPolyproline II helixtrans-80.1117.7175.3-54.6-179.4000108.8I1183 N1188L1177-I1183 WeakPolarHBondContact CA-O 3.41Å; L1177-I1183 HydrophobicContact CD2-CG2 4.13Å; L1177-N1188 HydrophobicContact CD2-CB 3.5Å
1178N84.6Confident87.3Confident66 Ų6637.8 Ų37.835%0.35319%0.187SC..  trans-128.3128.1175.4-173.57.6000109.6A1176 E1180 T1181 I1183A1176-N1178 PolarHBondContact O-N 3.42Å; N1178-E1180 PolarHBondContact O-N 3.42Å; N1178-E1180 PolarHBondContact OD1-N 3.45Å; N1178-T1181 HydrophobicContact CB-CG2 4.14Å; N1178-T1181 PolarHBondContact O-N 3.36Å; N1178-T1181 PolarHBondContact O-OG1 3.5Å; N1178-I1183 PolarHBondContact N-O 3.45Å
1179D81.5Confident87.4Confident102 Ų10238 Ų3855%0.54519%0.188SC..THydrogen-bonded Turntrans-64.5-21.9-179.6-76.1-0.4000112.2R178 T1181R178-D1179 IonicContact NH1-OD2 3.7Å; R178-D1179 PolarHBondContact NH1-OD2 2.98Å; R178-D1179 VanDerWaalsContact NH1-OD2 3.13Å; D1179-T1181 VanDerWaalsContact C-N 3.34Å
1180E79.1Confident87.4Confident176 Ų17641.2 Ų41.282%0.82220%0.2SC*.THydrogen-bonded Turntrans-77.7-17.2174.7-61.4-178.5165.600113.7N1178N1178-E1180 PolarHBondContact O-N 3.42Å; N1178-E1180 PolarHBondContact OD1-N 3.45Å
1181T85.6Confident87.7Confident23 Ų2342.7 Ų42.714%0.14121%0.212CC..SBendtrans-104.4161.9-179.3660000110.7N1178 D1179 I1183N1178-T1181 HydrophobicContact CB-CG2 4.14Å; N1178-T1181 PolarHBondContact O-N 3.36Å; N1178-T1181 PolarHBondContact O-OG1 3.5Å; D1179-T1181 VanDerWaalsContact C-N 3.34Å; T1181-I1183 PolarHBondContact O-N 3.42Å; T1181-I1183 VanDerWaalsContact O-N 3.15Å; T1181-I1183 PolarHBondContact OG1-N 3.03Å; T1181-I1183 PolarHBondContact OG1-O 3.47Å
1182Q88.7Confident87.9Confident61 Ų6143.6 Ų43.629%0.28521%0.213SC..SBendtrans-65.4-14.4172.2-61.8-60.1-51.400112.8H1184 N1187 N1210 I1211 D1214Q1182-H1184 PolarHBondContact O-CD2 3.42Å; Q1182-H1184 PolarHBondContact O-N 2.94Å; Q1182-N1187 WeakPolarHBondContact O-CB 3.31Å; Q1182-N1187 PolarHBondContact O-ND2 3.29Å; Q1182-N1210 HydrophobicContact CG-CB 3.73Å; Q1182-I1211 HydrophobicContact CB-CG1 4.4Å; Q1182-D1214 HydrophobicContact CB-CB 4.45Å; Q1182-D1214 VanDerWaalsContact CB-OD2 3.23Å; Q1182-D1214 WeakPolarHBondContact CB-OD2 3.12Å; Q1182-D1214 WeakPolarHBondContact CG-OD2 3.35Å; Q1182-D1214 PolarHBondContact N-OD2 3.4Å
1183I90.8Very high87.9Confident3 Ų347.2 Ų47.22%0.01523%0.227CC..SBendtrans-96.385.2173.8-54.5-59.7000109.8I1175 L1177 N1178 T1181 N1187 N1188 I1211 D1214I1175-I1183 HydrophobicContact CB-CG2 4.39Å; I1175-I1183 HydrophobicContact CG2-CB 4.34Å; I1175-I1183 HydrophobicContact CG2-CG2 3.95Å; L1177-I1183 WeakPolarHBondContact CA-O 3.41Å; L1177-I1183 HydrophobicContact CD2-CG2 4.13Å; N1178-I1183 PolarHBondContact N-O 3.45Å; T1181-I1183 PolarHBondContact O-N 3.42Å; T1181-I1183 VanDerWaalsContact O-N 3.15Å; T1181-I1183 PolarHBondContact OG1-N 3.03Å; T1181-I1183 PolarHBondContact OG1-O 3.47Å; I1183-N1187 WeakPolarHBondContact CA-O 3.17Å; I1183-N1188 HydrophobicContact CG2-CB 4.33Å; I1183-I1211 HydrophobicContact CD1-CG2 4.14Å; I1183-D1214 HydrophobicContact CG1-CB 4.07Å
1184H89.6Confident88.2Confident28 Ų2848.2 Ų48.213%0.1323%0.233CC..SBendtrans-122.7-171-177.860.690.1000111.5Y226 Q1182 H1186 N1187 N1188Y226-H1184 AromaticContact CD2-CE1 3.86Å; Y226-H1184 AromaticContact CE2-CE1 3.81Å; Y226-H1184 AromaticContact CE2-NE2 3.9Å; Q1182-H1184 PolarHBondContact O-CD2 3.42Å; Q1182-H1184 PolarHBondContact O-N 2.94Å; H1184-H1186 AromaticContact ND1-CD2 3.95Å; H1184-H1186 PolarHBondContact ND1-N 3.05Å; H1184-H1186 PolarHBondContact O-N 2.85Å; H1184-H1186 VanDerWaalsContact O-N 3.09Å; H1184-N1187 PolarHBondContact N-O 3.09Å; H1184-N1187 CarbonylContact O-C 3.5Å; H1184-N1187 PolarHBondContact O-N 3.1Å; H1184-N1188 PolarHBondContact O-ND2 2.91Å
1185R88.5Confident88.5Confident106 Ų10646.3 Ų46.340%0.423%0.225SC..SBendtrans-51.8-34.7-175.6-176.1-179.3179.4-1761.9114.8S176 A177 N1188S176-R1185 VanDerWaalsContact C-NH2 3.31Å; S176-R1185 PolarHBondContact O-NH2 3.19Å; A177-R1185 PolarHBondContact O-NH1 2.9Å; A177-R1185 PolarHBondContact O-NH2 3.13Å; A177-R1185 VanDerWaalsContact O-NH2 3.16Å; R1185-N1188 PolarHBondContact O-ND2 3.17Å
1186H90Very high88.8Confident18 Ų1848.8 Ų48.88%0.08324%0.238CC..SBendtrans-95.4-30.1-177.3-54.6-60.3000113.6Y226 D230 H1184Y226-H1186 HydrophobicContact CD1-CB 3.33Å; Y226-H1186 AromaticContact CD1-CG 3.79Å; Y226-H1186 HydrophobicContact CE1-CB 3.45Å; Y226-H1186 VanDerWaalsContact CE1-CB 3.45Å; Y226-H1186 HydrophobicContact CG-CB 3.98Å; Y226-H1186 AromaticContact CG-CD2 3.99Å; D230-H1186 VanDerWaalsContact CG-NE2 3.27Å; D230-H1186 IonicContact OD1-CD2 3.55Å; D230-H1186 IonicContact OD1-CE1 2.59Å; D230-H1186 PolarHBondContact OD1-CE1 3.27Å; D230-H1186 IonicContact OD1-NE2 2.92Å; D230-H1186 PolarHBondContact OD1-NE2 3.3Å; D230-H1186 IonicContact OD2-NE2 3.19Å; D230-H1186 PolarHBondContact OD2-NE2 2.73Å; H1184-H1186 AromaticContact ND1-CD2 3.95Å; H1184-H1186 PolarHBondContact ND1-N 3.05Å; H1184-H1186 PolarHBondContact O-N 2.85Å; H1184-H1186 VanDerWaalsContact O-N 3.09Å
1187N92.3Very high89Confident1 Ų148.7 Ų48.71%0.00523%0.233CC..SBendtrans-114.287.5-175.2-167.330.9000110Y226 Q1182 I1183 H1184 V1198 R1201Y226-N1187 WeakPolarHBondContact OH-CB 3.42Å; Q1182-N1187 WeakPolarHBondContact O-CB 3.31Å; Q1182-N1187 PolarHBondContact O-ND2 3.29Å; I1183-N1187 WeakPolarHBondContact CA-O 3.17Å; H1184-N1187 PolarHBondContact N-O 3.09Å; H1184-N1187 CarbonylContact O-C 3.5Å; H1184-N1187 PolarHBondContact O-N 3.1Å; N1187-V1198 WeakPolarHBondContact OD1-CG2 3.42Å; N1187-R1201 PolarHBondContact ND2-NH1 2.92Å
1188N91.7Very high89.2Confident8 Ų846.1 Ų46.14%0.04322%0.22CC..  trans-152.1165.6-177.159.765.8000113.3L1177 I1183 H1184 R1185 R1190 T1194 S1195L1177-N1188 HydrophobicContact CD2-CB 3.5Å; I1183-N1188 HydrophobicContact CG2-CB 4.33Å; H1184-N1188 PolarHBondContact O-ND2 2.91Å; R1185-N1188 PolarHBondContact O-ND2 3.17Å; N1188-R1190 PolarHBondContact OD1-N 2.84Å; N1188-T1194 CarbonylContact O-C 3.12Å; N1188-T1194 VanDerWaalsContact O-C 3.32Å; N1188-T1194 VanDerWaalsContact O-CB 3.26Å; N1188-T1194 WeakPolarHBondContact O-CB 3.42Å; N1188-T1194 PolarHBondContact O-OG1 2.61Å; N1188-T1194 VanDerWaalsContact O-OG1 3.06Å; N1188-T1194 WeakPolarHBondContact OD1-CB 3.12Å; N1188-T1194 PolarHBondContact OD1-OG1 3.16Å; N1188-S1195 PolarHBondContact O-N 3.12Å
1189F91.9Very high89.7Confident3 Ų343 Ų431%0.01320%0.203CC..SBendtrans-102.622.6179.3-69.2-80.1000113.5M1169 F1172 G1173 S1195 V1198 I1211 F1249M1169-F1189 WeakPolarHBondContact CA-O 3.35Å; M1169-F1189 WeakPolarHBondContact CG-O 3.42Å; F1172-F1189 HydrophobicContact CB-CB 3.97Å; F1172-F1189 HydrophobicContact CB-CD2 3.68Å; F1172-F1189 HydrophobicContact CB-CE2 4.41Å; F1172-F1189 HydrophobicContact CB-CG 3.94Å; F1172-F1189 HydrophobicContact CD2-CD2 4.23Å; F1172-F1189 HydrophobicContact CD2-CE2 4.22Å; F1172-F1189 HydrophobicContact CD2-CG 4.49Å; F1172-F1189 HydrophobicContact CD2-CZ 4.48Å; F1172-F1189 HydrophobicContact CG-CD2 4.34Å; G1173-F1189 VanDerWaalsContact CA-O 3.28Å; G1173-F1189 WeakPolarHBondContact CA-O 3.46Å; F1189-S1195 WeakPolarHBondContact CA-OG 3.39Å; F1189-V1198 HydrophobicContact CE1-CB 4.19Å; F1189-V1198 HydrophobicContact CE1-CG1 4.18Å; F1189-V1198 HydrophobicContact CE2-CG1 3.89Å; F1189-V1198 HydrophobicContact CZ-CB 3.98Å; F1189-V1198 HydrophobicContact CZ-CG1 3.47Å; F1189-V1198 VanDerWaalsContact CZ-CG1 3.47Å; F1189-V1198 HydrophobicContact CZ-CG2 4.49Å; F1189-I1211 HydrophobicContact CE2-CG2 4.49Å; F1189-F1249 HydrophobicContact CE2-CZ 4.2Å; F1189-F1249 HydrophobicContact CZ-CE1 4.46Å; F1189-F1249 AromaticContact CZ-CZ 3.93Å; F1189-F1249 HydrophobicContact CZ-CZ 3.93Å
1190R87.3Confident90.3Very high71 Ų7139.3 Ų39.327%0.26818%0.182SC..SBendtrans-72.1-39.4-178.3-73.7-171174.5-172.24.6113.1P725 L726 N1188 D1224P725-R1190 WeakPolarHBondContact CD-O 3.23Å; P725-R1190 WeakPolarHBondContact CG-O 3.23Å; L726-R1190 HydrophobicContact CD1-CG 4.2Å; N1188-R1190 PolarHBondContact OD1-N 2.84Å; R1190-D1224 IonicContact CZ-OD2 3.91Å; R1190-D1224 IonicContact NH2-OD2 3.75Å; R1190-D1224 PolarHBondContact NH2-OD2 3.18Å
1191T89Confident91Very high68 Ų6831.3 Ų31.342%0.41715%0.145SC..SBendtrans-118.2156.9-179.572.80000110.3Y1193 T1194 S1195T1191-Y1193 VanDerWaalsContact C-N 3.27Å; T1191-Y1193 PolarHBondContact O-N 2.77Å; T1191-T1194 PolarHBondContact N-OG1 3.38Å; T1191-T1194 PolarHBondContact O-N 3.25Å; T1191-T1194 PolarHBondContact O-OG1 3.02Å; T1191-T1194 WeakPolarHBondContact OG1-CG2 3.46Å; T1191-T1194 PolarHBondContact OG1-N 3.43Å; T1191-T1194 VanDerWaalsContact OG1-N 3.12Å; T1191-T1194 PolarHBondContact OG1-OG1 2.96Å; T1191-S1195 WeakPolarHBondContact O-CB 3.29Å; T1191-S1195 PolarHBondContact O-N 2.9Å; T1191-S1195 PolarHBondContact O-OG 3.1Å
1192F90.1Very high91.3Very high50 Ų5030.3 Ų30.322%0.21914%0.139CC..Hα-helixtrans-59-39.2175.2174.5-97.3000112.5A721 F1162 A1165 V1166 M1169 L1196A721-F1192 HydrophobicContact CB-CB 4.03Å; A721-F1192 HydrophobicContact CB-CD1 4.13Å; A721-F1192 HydrophobicContact CB-CD2 3.66Å; A721-F1192 HydrophobicContact CB-CE2 4.14Å; A721-F1192 HydrophobicContact CB-CG 3.66Å; A721-F1192 VanDerWaalsContact O-CB 3.27Å; A721-F1192 WeakPolarHBondContact O-CB 3.43Å; F1162-F1192 AromaticContact CD2-CE2 3.69Å; F1162-F1192 HydrophobicContact CD2-CE2 3.69Å; F1162-F1192 AromaticContact CD2-CZ 3.52Å; F1162-F1192 HydrophobicContact CD2-CZ 3.52Å; F1162-F1192 AromaticContact CE2-CE2 3.88Å; F1162-F1192 HydrophobicContact CE2-CE2 3.88Å; F1162-F1192 AromaticContact CE2-CZ 3.92Å; F1162-F1192 HydrophobicContact CE2-CZ 3.92Å; F1162-F1192 HydrophobicContact CG-CE2 4.35Å; F1162-F1192 HydrophobicContact CG-CZ 4.41Å; A1165-F1192 HydrophobicContact CB-CD2 3.9Å; A1165-F1192 HydrophobicContact CB-CE2 3.64Å; A1165-F1192 HydrophobicContact CB-CZ 4.43Å; V1166-F1192 HydrophobicContact CG2-CD2 4.01Å; V1166-F1192 HydrophobicContact CG2-CE2 4.05Å; M1169-F1192 HydrophobicContact SD-CB 4.32Å; F1192-L1196 WeakPolarHBondContact O-CB 3.29Å; F1192-L1196 PolarHBondContact O-N 3.2Å
1193Y89.8Confident91.5Very high79 Ų7928 Ų2831%0.3113%0.13SC..Hα-helixtrans-66.9-47179.8161.5-101.1000112.3W238 T1191 S1195 L1196 L1197W238-Y1193 VanDerWaalsContact CB-OH 3.32Å; W238-Y1193 WeakPolarHBondContact CB-OH 3.27Å; W238-Y1193 AromaticContact CD2-CE2 3.93Å; W238-Y1193 HydrophobicContact CD2-CE2 3.93Å; W238-Y1193 AromaticContact CE2-CE2 3.96Å; W238-Y1193 HydrophobicContact CE3-CE2 4.25Å; W238-Y1193 HydrophobicContact CG-CE2 4.3Å; W238-Y1193 HydrophobicContact CZ2-CE2 4.29Å; W238-Y1193 PolarHBondContact NE1-OH 2.99Å; T1191-Y1193 VanDerWaalsContact C-N 3.27Å; T1191-Y1193 PolarHBondContact O-N 2.77Å; Y1193-S1195 VanDerWaalsContact C-N 3.33Å; Y1193-S1195 PolarHBondContact O-N 3.35Å; Y1193-L1196 WeakPolarHBondContact O-CB 3.44Å; Y1193-L1196 PolarHBondContact O-N 3.4Å; Y1193-L1197 HydrophobicContact CE1-CD1 3.79Å; Y1193-L1197 HydrophobicContact CE2-CD1 3.95Å; Y1193-L1197 HydrophobicContact CE2-CG 4.11Å; Y1193-L1197 VanDerWaalsContact CZ-CD1 3.43Å; Y1193-L1197 PolarHBondContact O-N 3.16Å; Y1193-L1197 WeakPolarHBondContact OH-CD1 3.4Å
1194T91.4Very high91.5Very high21 Ų2128.6 Ų28.613%0.12913%0.134CC..Hα-helixtrans-64.9-40.2176.752.60000111N1188 T1191 L1196 L1197 V1198N1188-T1194 CarbonylContact O-C 3.12Å; N1188-T1194 VanDerWaalsContact O-C 3.32Å; N1188-T1194 VanDerWaalsContact O-CB 3.26Å; N1188-T1194 WeakPolarHBondContact O-CB 3.42Å; N1188-T1194 PolarHBondContact O-OG1 2.61Å; N1188-T1194 VanDerWaalsContact O-OG1 3.06Å; N1188-T1194 WeakPolarHBondContact OD1-CB 3.12Å; N1188-T1194 PolarHBondContact OD1-OG1 3.16Å; T1191-T1194 PolarHBondContact N-OG1 3.38Å; T1191-T1194 PolarHBondContact O-N 3.25Å; T1191-T1194 PolarHBondContact O-OG1 3.02Å; T1191-T1194 WeakPolarHBondContact OG1-CG2 3.46Å; T1191-T1194 PolarHBondContact OG1-N 3.43Å; T1191-T1194 VanDerWaalsContact OG1-N 3.12Å; T1191-T1194 PolarHBondContact OG1-OG1 2.96Å; T1194-L1196 VanDerWaalsContact C-N 3.29Å; T1194-L1196 PolarHBondContact O-N 2.89Å; T1194-L1197 WeakPolarHBondContact O-CB 3.24Å; T1194-L1197 PolarHBondContact O-N 2.82Å; T1194-L1197 VanDerWaalsContact O-N 3.1Å; T1194-V1198 WeakPolarHBondContact O-CG2 3.17Å; T1194-V1198 PolarHBondContact O-N 3.05Å
1195S93Very high91.3Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-58.1-40.1172.9-56.20000112.5N1188 F1189 T1191 Y1193 V1198 L1199N1188-S1195 PolarHBondContact O-N 3.12Å; F1189-S1195 WeakPolarHBondContact CA-OG 3.39Å; T1191-S1195 WeakPolarHBondContact O-CB 3.29Å; T1191-S1195 PolarHBondContact O-N 2.9Å; T1191-S1195 PolarHBondContact O-OG 3.1Å; Y1193-S1195 VanDerWaalsContact C-N 3.33Å; Y1193-S1195 PolarHBondContact O-N 3.35Å; S1195-V1198 PolarHBondContact O-N 3.44Å; S1195-L1199 WeakPolarHBondContact O-CG 3.43Å; S1195-L1199 PolarHBondContact O-N 3.27Å
1196L93.1Very high91.4Very high60 Ų6022.8 Ų22.831%0.31411%0.113SC..Hα-helixtrans-65.3-39.6176.2-175.569.3000111.7F1161 F1192 Y1193 T1194 L1199 F1200F1161-L1196 HydrophobicContact CB-CD1 3.79Å; F1161-L1196 HydrophobicContact CD1-CD1 3.86Å; F1161-L1196 HydrophobicContact CG-CD1 4.34Å; F1192-L1196 WeakPolarHBondContact O-CB 3.29Å; F1192-L1196 PolarHBondContact O-N 3.2Å; Y1193-L1196 WeakPolarHBondContact O-CB 3.44Å; Y1193-L1196 PolarHBondContact O-N 3.4Å; T1194-L1196 VanDerWaalsContact C-N 3.29Å; T1194-L1196 PolarHBondContact O-N 2.89Å; L1196-L1199 PolarHBondContact O-N 2.87Å; L1196-F1200 WeakPolarHBondContact O-CB 3.43Å; L1196-F1200 PolarHBondContact O-N 2.76Å
1197L92.7Very high91.4Very high23 Ų2322.8 Ų22.812%0.1212%0.116CC..Hα-helixtrans-66.4-40.9174.9-73-179.7000112.3V242 Y1193 T1194 L1199 F1200 R1201V242-L1197 HydrophobicContact CG2-CD2 3.98Å; Y1193-L1197 HydrophobicContact CE1-CD1 3.79Å; Y1193-L1197 HydrophobicContact CE2-CD1 3.95Å; Y1193-L1197 HydrophobicContact CE2-CG 4.11Å; Y1193-L1197 VanDerWaalsContact CZ-CD1 3.43Å; Y1193-L1197 PolarHBondContact O-N 3.16Å; Y1193-L1197 WeakPolarHBondContact OH-CD1 3.4Å; T1194-L1197 WeakPolarHBondContact O-CB 3.24Å; T1194-L1197 PolarHBondContact O-N 2.82Å; T1194-L1197 VanDerWaalsContact O-N 3.1Å; L1197-L1199 VanDerWaalsContact C-N 3.29Å; L1197-L1199 PolarHBondContact O-N 2.87Å; L1197-F1200 PolarHBondContact O-N 3.44Å; L1197-R1201 WeakPolarHBondContact O-CB 3.44Å; L1197-R1201 PolarHBondContact O-N 2.99Å
1198V93.7Very high91.4Very high1 Ų122.8 Ų22.81%0.00612%0.116CC..Hα-helixtrans-59.7-42.6174.9-176.90000110.8N1187 F1189 T1194 S1195 R1201 S1202 I1211N1187-V1198 WeakPolarHBondContact OD1-CG2 3.42Å; F1189-V1198 HydrophobicContact CE1-CB 4.19Å; F1189-V1198 HydrophobicContact CE1-CG1 4.18Å; F1189-V1198 HydrophobicContact CE2-CG1 3.89Å; F1189-V1198 HydrophobicContact CZ-CB 3.98Å; F1189-V1198 HydrophobicContact CZ-CG1 3.47Å; F1189-V1198 VanDerWaalsContact CZ-CG1 3.47Å; F1189-V1198 HydrophobicContact CZ-CG2 4.49Å; T1194-V1198 WeakPolarHBondContact O-CG2 3.17Å; T1194-V1198 PolarHBondContact O-N 3.05Å; S1195-V1198 PolarHBondContact O-N 3.44Å; V1198-R1201 PolarHBondContact O-N 3.14Å; V1198-S1202 WeakPolarHBondContact O-CB 3.37Å; V1198-S1202 PolarHBondContact O-N 3.48Å; V1198-S1202 PolarHBondContact O-OG 3.03Å; V1198-I1211 HydrophobicContact CG1-CD1 4.15Å; V1198-I1211 HydrophobicContact CG1-CG2 3.93Å
1199L95Very high91.5Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-70.3-33.7176.6-71.1172.5000112.7F1161 A1165 S1195 L1196 L1197 S1202 A1203 Y1248 F1252F1161-L1199 HydrophobicContact CD1-CB 4.38Å; A1165-L1199 VanDerWaalsContact CA-CD1 3.48Å; A1165-L1199 HydrophobicContact CB-CD1 3.82Å; S1195-L1199 WeakPolarHBondContact O-CG 3.43Å; S1195-L1199 PolarHBondContact O-N 3.27Å; L1196-L1199 PolarHBondContact O-N 2.87Å; L1197-L1199 VanDerWaalsContact C-N 3.29Å; L1197-L1199 PolarHBondContact O-N 2.87Å; L1199-S1202 PolarHBondContact O-N 2.98Å; L1199-A1203 VanDerWaalsContact O-CB 3.3Å; L1199-A1203 WeakPolarHBondContact O-CB 3.44Å; L1199-A1203 PolarHBondContact O-N 3.21Å; L1199-Y1248 HydrophobicContact CD2-CE1 4.19Å; L1199-Y1248 WeakPolarHBondContact CD2-OH 3.26Å; L1199-F1252 HydrophobicContact CB-CE1 4.2Å; L1199-F1252 HydrophobicContact CB-CE2 4.25Å; L1199-F1252 HydrophobicContact CB-CZ 3.74Å; L1199-F1252 HydrophobicContact CD1-CE2 4.5Å; L1199-F1252 HydrophobicContact CD2-CD1 3.94Å; L1199-F1252 HydrophobicContact CD2-CD2 3.99Å; L1199-F1252 HydrophobicContact CD2-CE1 3.87Å; L1199-F1252 HydrophobicContact CD2-CE2 3.92Å; L1199-F1252 HydrophobicContact CD2-CG 4Å; L1199-F1252 HydrophobicContact CD2-CZ 3.86Å; L1199-F1252 HydrophobicContact CG-CE2 4.44Å; L1199-F1252 HydrophobicContact CG-CZ 4.3Å; L1199-F1252 VanDerWaalsContact O-CE1 3.26Å; L1199-F1252 WeakPolarHBondContact O-CE1 3.48Å; L1199-F1252 WeakPolarHBondContact O-CZ 3.35Å
1200F93.2Very high91.5Very high25 Ų2525.5 Ų25.511%0.1113%0.131CC..Hα-helixtrans-65.7-44.3173.2-175.2-99.3000111.5W221 V242 V245 V246 F250 F1161 L1196 L1197 S1202 A1203 T1204W221-F1200 AromaticContact CH2-CD1 3.61Å; W221-F1200 HydrophobicContact CH2-CD1 3.61Å; W221-F1200 AromaticContact CH2-CE1 3.75Å; W221-F1200 HydrophobicContact CH2-CE1 3.75Å; W221-F1200 AromaticContact CZ2-CD1 3.87Å; W221-F1200 HydrophobicContact CZ2-CD1 3.87Å; W221-F1200 AromaticContact CZ2-CE1 3.9Å; W221-F1200 HydrophobicContact CZ2-CE1 3.9Å; V242-F1200 HydrophobicContact CG1-CE1 4.23Å; V242-F1200 HydrophobicContact CG1-CE2 4.44Å; V242-F1200 HydrophobicContact CG1-CZ 4.08Å; V242-F1200 HydrophobicContact CG2-CD1 4.34Å; V242-F1200 HydrophobicContact CG2-CE1 4.2Å; V245-F1200 HydrophobicContact CB-CE1 4.29Å; V245-F1200 HydrophobicContact CB-CZ 4.2Å; V245-F1200 HydrophobicContact CG1-CE1 4.19Å; V245-F1200 HydrophobicContact CG1-CZ 3.95Å; V246-F1200 HydrophobicContact CG2-CE2 4.14Å; V246-F1200 HydrophobicContact CG2-CZ 4.03Å; F250-F1200 HydrophobicContact CE2-CE2 4.38Å; F1161-F1200 HydrophobicContact CE1-CB 4.32Å; F1161-F1200 HydrophobicContact CE1-CD2 4.33Å; L1196-F1200 WeakPolarHBondContact O-CB 3.43Å; L1196-F1200 PolarHBondContact O-N 2.76Å; L1197-F1200 PolarHBondContact O-N 3.44Å; F1200-S1202 VanDerWaalsContact C-N 3.35Å; F1200-S1202 PolarHBondContact O-N 2.9Å; F1200-A1203 PolarHBondContact O-N 3.35Å; F1200-T1204 HydrophobicContact CE1-CG2 4.33Å; F1200-T1204 HydrophobicContact CZ-CG2 4.49Å; F1200-T1204 PolarHBondContact O-N 2.77Å; F1200-T1204 VanDerWaalsContact O-N 3.07Å; F1200-T1204 PolarHBondContact O-OG1 3.42Å
1201R93.7Very high91.8Very high8 Ų822.1 Ų22.13%0.0312%0.118CC..Hα-helixtrans-57.5-45.8170-178.6-179.4175.41737.3111.8W221 S222 Y226 N1187 L1197 V1198 A1203 T1204 G1205 E1206W221-R1201 HydrophobicContact CZ2-CB 4.38Å; S222-R1201 VanDerWaalsContact OG-CZ 3.26Å; S222-R1201 PolarHBondContact OG-NE 3.46Å; Y226-R1201 PolarHBondContact OH-NH1 3.24Å; Y226-R1201 VanDerWaalsContact OH-NH1 3.12Å; N1187-R1201 PolarHBondContact ND2-NH1 2.92Å; L1197-R1201 WeakPolarHBondContact O-CB 3.44Å; L1197-R1201 PolarHBondContact O-N 2.99Å; V1198-R1201 PolarHBondContact O-N 3.14Å; R1201-A1203 VanDerWaalsContact C-N 3.28Å; R1201-A1203 PolarHBondContact O-N 3.44Å; R1201-T1204 PolarHBondContact O-N 3.03Å; R1201-T1204 PolarHBondContact O-OG1 3.35Å; R1201-G1205 PolarHBondContact O-N 3.16Å; R1201-E1206 HydrophobicContact CG-CB 4.07Å; R1201-E1206 HydrophobicContact CG-CG 4.4Å; R1201-E1206 WeakPolarHBondContact CG-O 3.44Å; R1201-E1206 PolarHBondContact NE-O 3.02Å
1202S92.5Very high92Very high2 Ų218.9 Ų18.91%0.01410%0.098CC..Hα-helixtrans-65.3-30.9177.3-55.20000112.8V1198 L1199 F1200 G1205V1198-S1202 WeakPolarHBondContact O-CB 3.37Å; V1198-S1202 PolarHBondContact O-N 3.48Å; V1198-S1202 PolarHBondContact O-OG 3.03Å; L1199-S1202 PolarHBondContact O-N 2.98Å; F1200-S1202 VanDerWaalsContact C-N 3.35Å; F1200-S1202 PolarHBondContact O-N 2.9Å; S1202-G1205 PolarHBondContact O-N 3.01Å
1203A92Very high92.1Very high13 Ų1316.7 Ų16.711%0.1079%0.088CC..Hα-helixtrans-77.8-22.6177.600000113.1F1161 L1199 F1200 R1201 G1205 F1252F1161-A1203 HydrophobicContact CE1-CB 4.25Å; F1161-A1203 HydrophobicContact CZ-CB 3.62Å; L1199-A1203 VanDerWaalsContact O-CB 3.3Å; L1199-A1203 WeakPolarHBondContact O-CB 3.44Å; L1199-A1203 PolarHBondContact O-N 3.21Å; F1200-A1203 PolarHBondContact O-N 3.35Å; R1201-A1203 VanDerWaalsContact C-N 3.28Å; R1201-A1203 PolarHBondContact O-N 3.44Å; A1203-G1205 VanDerWaalsContact C-N 3.31Å; A1203-F1252 HydrophobicContact CB-CE1 4.08Å; A1203-F1252 HydrophobicContact CB-CZ 4.18Å
1204T90.1Very high92.2Very high16 Ų1614.1 Ų14.110%0.0988%0.08CC..Hα-helixtrans-78.7-14.9171.6500000113.3W221 V245 F250 F1200 R1201W221-T1204 HydrophobicContact CZ2-CG2 4.19Å; W221-T1204 PolarHBondContact NE1-OG1 2.92Å; V245-T1204 HydrophobicContact CG1-CG2 3.88Å; F250-T1204 HydrophobicContact CZ-CG2 4.37Å; F1200-T1204 HydrophobicContact CE1-CG2 4.33Å; F1200-T1204 HydrophobicContact CZ-CG2 4.49Å; F1200-T1204 PolarHBondContact O-N 2.77Å; F1200-T1204 VanDerWaalsContact O-N 3.07Å; F1200-T1204 PolarHBondContact O-OG1 3.42Å; R1201-T1204 PolarHBondContact O-N 3.03Å; R1201-T1204 PolarHBondContact O-OG1 3.35Å
1205G87.3Confident92.2Very high6 Ų613.1 Ų13.16%0.0627%0.074CC..  trans102.9-39.7-173.900000112.1E918 R1201 S1202 A1203 A1207 W1208E918-G1205 WeakPolarHBondContact CG-O 3.43Å; E918-G1205 WeakPolarHBondContact OE1-CA 3.46Å; E918-G1205 VanDerWaalsContact OE2-O 3.04Å; R1201-G1205 PolarHBondContact O-N 3.16Å; S1202-G1205 PolarHBondContact O-N 3.01Å; A1203-G1205 VanDerWaalsContact C-N 3.31Å; G1205-A1207 PolarHBondContact O-N 3.45Å; G1205-W1208 PolarHBondContact O-N 3.44Å
1206E89.6Confident92Very high5 Ų513.2 Ų13.22%0.0238%0.075CC..THydrogen-bonded Turntrans-46.9103.5-169.9-170.5180-165.800117G220 W221 S222 R1201 W1208G220-E1206 WeakPolarHBondContact CA-OE1 3.41Å; W221-E1206 PolarHBondContact N-OE1 3.17Å; W221-E1206 PolarHBondContact NE1-OE2 3.14Å; S222-E1206 VanDerWaalsContact CB-CD 3.49Å; S222-E1206 VanDerWaalsContact CB-OE1 3.29Å; S222-E1206 WeakPolarHBondContact CB-OE1 3.42Å; S222-E1206 WeakPolarHBondContact CB-OE2 3.34Å; S222-E1206 PolarHBondContact N-OE1 2.92Å; S222-E1206 PolarHBondContact N-OE2 3.39Å; S222-E1206 PolarHBondContact OG-OE1 3.37Å; S222-E1206 PolarHBondContact OG-OE2 2.84Å; S222-E1206 VanDerWaalsContact OG-OE2 3.09Å; R1201-E1206 HydrophobicContact CG-CB 4.07Å; R1201-E1206 HydrophobicContact CG-CG 4.4Å; R1201-E1206 WeakPolarHBondContact CG-O 3.44Å; R1201-E1206 PolarHBondContact NE-O 3.02Å; E1206-W1208 PolarHBondContact O-N 3.49Å; E1206-W1208 VanDerWaalsContact O-N 3.09Å
1207A89.2Confident91.7Very high18 Ų1815.6 Ų15.615%0.1499%0.088CC..THydrogen-bonded Turntrans52.627.9170.400000115.9E918 G1205 Q1209 N1210 I1211E918-A1207 PolarHBondContact OE2-N 2.92Å; G1205-A1207 PolarHBondContact O-N 3.45Å; A1207-Q1209 PolarHBondContact O-N 2.91Å; A1207-N1210 PolarHBondContact O-N 3.42Å; A1207-N1210 VanDerWaalsContact O-N 3.13Å; A1207-I1211 PolarHBondContact O-N 3.38Å
1208W93.8Very high91.2Very high1 Ų117 Ų170%0.0049%0.091CC..Hα-helixtrans-60-30.3-177.574.8-91.8000113.1F912 V913 T916 G1205 E1206 N1210 I1211 M1212 F1249 I1250F912-W1208 AromaticContact CD1-CH2 3.91Å; F912-W1208 HydrophobicContact CD1-CH2 3.91Å; F912-W1208 HydrophobicContact CD1-CZ2 4.05Å; F912-W1208 AromaticContact CE1-CH2 3.75Å; F912-W1208 HydrophobicContact CE1-CH2 3.75Å; F912-W1208 AromaticContact CE1-CZ2 3.82Å; F912-W1208 HydrophobicContact CE1-CZ2 3.82Å; V913-W1208 HydrophobicContact CG2-CH2 4.09Å; V913-W1208 HydrophobicContact CG2-CZ2 4.04Å; T916-W1208 HydrophobicContact CG2-CZ2 4.18Å; T916-W1208 PolarHBondContact OG1-NE1 2.96Å; G1205-W1208 PolarHBondContact O-N 3.44Å; E1206-W1208 PolarHBondContact O-N 3.49Å; E1206-W1208 VanDerWaalsContact O-N 3.09Å; W1208-N1210 VanDerWaalsContact C-N 3.33Å; W1208-N1210 PolarHBondContact O-N 3.24Å; W1208-I1211 PolarHBondContact O-N 3.41Å; W1208-M1212 HydrophobicContact CE3-CB 4.48Å; W1208-M1212 HydrophobicContact CZ3-CE 4.49Å; W1208-M1212 HydrophobicContact CZ3-SD 3.81Å; W1208-M1212 PolarHBondContact O-N 3.44Å; W1208-F1249 HydrophobicContact CE3-CB 3.83Å; W1208-F1249 HydrophobicContact CE3-CG 4.49Å; W1208-F1249 HydrophobicContact CZ3-CB 3.83Å; W1208-I1250 HydrophobicContact CH2-CG1 4.09Å; W1208-I1250 HydrophobicContact CZ3-CG1 4.29Å
1209Q93.1Very high90.5Very high5 Ų523.2 Ų23.22%0.02313%0.132CC..Hα-helixtrans-63.6-36.5178.469.9-77.10.600112.1F899 V913 E918 A1207 M1212 L1213F899-Q1209 HydrophobicContact CE2-CB 4.2Å; F899-Q1209 HydrophobicContact CE2-CG 4.06Å; F899-Q1209 HydrophobicContact CZ-CB 3.79Å; F899-Q1209 HydrophobicContact CZ-CG 4.19Å; V913-Q1209 HydrophobicContact CG1-CB 3.94Å; V913-Q1209 HydrophobicContact CG1-CG 3.97Å; V913-Q1209 HydrophobicContact CG2-CB 4.09Å; E918-Q1209 VanDerWaalsContact CB-OE1 3.3Å; A1207-Q1209 PolarHBondContact O-N 2.91Å; Q1209-M1212 WeakPolarHBondContact O-CB 3.14Å; Q1209-M1212 PolarHBondContact O-N 2.95Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.49Å; Q1209-L1213 PolarHBondContact O-N 3.24Å; Q1209-L1213 VanDerWaalsContact O-N 3.13Å
1210N91.8Very high89.7Confident63 Ų6326.1 Ų26.134%0.33715%0.152SC..Hα-helixtrans-74.1-37.9179-62.6-23.6000110.5Q1182 A1207 W1208 M1212 L1213 D1214Q1182-N1210 HydrophobicContact CG-CB 3.73Å; A1207-N1210 PolarHBondContact O-N 3.42Å; A1207-N1210 VanDerWaalsContact O-N 3.13Å; W1208-N1210 VanDerWaalsContact C-N 3.33Å; W1208-N1210 PolarHBondContact O-N 3.24Å; N1210-M1212 VanDerWaalsContact C-N 3.29Å; N1210-M1212 PolarHBondContact O-N 3.39Å; N1210-L1213 PolarHBondContact O-N 3.14Å; N1210-D1214 PolarHBondContact O-N 3.3Å
1211I93.2Very high89.2Confident0 Ų025.1 Ų25.10%015%0.148CC..Hα-helixtrans-61.1-41173.4-53.7175.2000110.5Q1182 I1183 F1189 V1198 A1207 W1208 L1213 D1214 C1215 F1249Q1182-I1211 HydrophobicContact CB-CG1 4.4Å; I1183-I1211 HydrophobicContact CD1-CG2 4.14Å; F1189-I1211 HydrophobicContact CE2-CG2 4.49Å; V1198-I1211 HydrophobicContact CG1-CD1 4.15Å; V1198-I1211 HydrophobicContact CG1-CG2 3.93Å; A1207-I1211 PolarHBondContact O-N 3.38Å; W1208-I1211 PolarHBondContact O-N 3.41Å; I1211-L1213 VanDerWaalsContact C-N 3.35Å; I1211-L1213 PolarHBondContact O-N 3.49Å; I1211-D1214 PolarHBondContact O-N 2.78Å; I1211-C1215 PolarHBondContact O-N 2.98Å; I1211-C1215 PolarHBondContact O-SG 3.29Å; I1211-F1249 HydrophobicContact CB-CZ 4.44Å; I1211-F1249 HydrophobicContact CG2-CE1 4.07Å; I1211-F1249 HydrophobicContact CG2-CZ 3.68Å
1212M94.1Very high88.7Confident0 Ų028 Ų280%017%0.167CC..Hα-helixtrans-61-42.7175.2177.8-168.868.800112F899 V909 W1208 Q1209 N1210 C1215 S1216 A1245 Y1246 F1249F899-M1212 HydrophobicContact CE1-CE 4Å; F899-M1212 HydrophobicContact CZ-CE 4.12Å; V909-M1212 HydrophobicContact CG1-CE 4.46Å; W1208-M1212 HydrophobicContact CE3-CB 4.48Å; W1208-M1212 HydrophobicContact CZ3-CE 4.49Å; W1208-M1212 HydrophobicContact CZ3-SD 3.81Å; W1208-M1212 PolarHBondContact O-N 3.44Å; Q1209-M1212 WeakPolarHBondContact O-CB 3.14Å; Q1209-M1212 PolarHBondContact O-N 2.95Å; N1210-M1212 VanDerWaalsContact C-N 3.29Å; N1210-M1212 PolarHBondContact O-N 3.39Å; M1212-C1215 PolarHBondContact O-N 3.05Å; M1212-S1216 PolarHBondContact O-N 3.45Å; M1212-A1245 HydrophobicContact CG-CB 4.41Å; M1212-Y1246 HydrophobicContact CE-CD1 3.76Å; M1212-Y1246 HydrophobicContact CE-CE1 3.82Å; M1212-Y1246 HydrophobicContact CG-CD1 4.32Å; M1212-Y1246 HydrophobicContact SD-CD1 3.61Å; M1212-Y1246 HydrophobicContact SD-CE1 4.24Å; M1212-Y1246 HydrophobicContact SD-CG 4.33Å; M1212-F1249 HydrophobicContact CB-CB 4.17Å; M1212-F1249 HydrophobicContact CB-CD2 3.62Å; M1212-F1249 HydrophobicContact CB-CE2 4.23Å; M1212-F1249 HydrophobicContact CB-CG 3.97Å; M1212-F1249 HydrophobicContact CG-CB 4.18Å; M1212-F1249 HydrophobicContact CG-CD2 3.84Å; M1212-F1249 HydrophobicContact CG-CG 4.32Å; M1212-F1249 HydrophobicContact SD-CB 4.41Å
1213L91.5Very high88.3Confident4 Ų429 Ų292%0.02117%0.173CC..Hα-helixtrans-66.2-42179.1-68179.6000111.9D898 F899 Q1209 N1210 I1211 C1215 S1216 R1218 Y1246D898-L1213 HydrophobicContact CB-CD1 3.65Å; F899-L1213 HydrophobicContact CE1-CD2 4.42Å; F899-L1213 HydrophobicContact CE2-CD1 3.69Å; F899-L1213 HydrophobicContact CE2-CG 4.46Å; F899-L1213 HydrophobicContact CZ-CD1 3.74Å; F899-L1213 HydrophobicContact CZ-CD2 4.17Å; F899-L1213 HydrophobicContact CZ-CG 4.01Å; Q1209-L1213 WeakPolarHBondContact O-CG 3.49Å; Q1209-L1213 PolarHBondContact O-N 3.24Å; Q1209-L1213 VanDerWaalsContact O-N 3.13Å; N1210-L1213 PolarHBondContact O-N 3.14Å; I1211-L1213 VanDerWaalsContact C-N 3.35Å; I1211-L1213 PolarHBondContact O-N 3.49Å; L1213-C1215 PolarHBondContact O-N 3.5Å; L1213-S1216 WeakPolarHBondContact O-CB 3.46Å; L1213-S1216 PolarHBondContact O-N 3.29Å; L1213-S1216 PolarHBondContact O-OG 2.99Å; L1213-R1218 WeakPolarHBondContact O-CD 3.5Å; L1213-Y1246 HydrophobicContact CD2-CE1 4.38Å
1214D91.4Very high87.9Confident25 Ų2529.1 Ų29.113%0.13417%0.172CC..Hα-helixtrans-75-4.9178.2-71.5-13.9000113.8Q1182 I1183 N1210 I1211 V1221Q1182-D1214 HydrophobicContact CB-CB 4.45Å; Q1182-D1214 VanDerWaalsContact CB-OD2 3.23Å; Q1182-D1214 WeakPolarHBondContact CB-OD2 3.12Å; Q1182-D1214 WeakPolarHBondContact CG-OD2 3.35Å; Q1182-D1214 PolarHBondContact N-OD2 3.4Å; I1183-D1214 HydrophobicContact CG1-CB 4.07Å; N1210-D1214 PolarHBondContact O-N 3.3Å; I1211-D1214 PolarHBondContact O-N 2.78Å; D1214-V1221 WeakPolarHBondContact O-CG2 3.28Å
1215C91.7Very high87.2Confident0 Ų035.9 Ų35.90%020%0.2CC..THydrogen-bonded Turntrans-98.7-9.3168-65.10000113.2F1172 I1211 M1212 L1213 T1242 A1245 F1249F1172-C1215 HydrophobicContact CD1-CB 3.78Å; F1172-C1215 HydrophobicContact CE1-CB 3.72Å; F1172-C1215 HydrophobicContact CG-CB 4.31Å; F1172-C1215 HydrophobicContact CZ-CB 4.21Å; I1211-C1215 PolarHBondContact O-N 2.98Å; I1211-C1215 PolarHBondContact O-SG 3.29Å; M1212-C1215 PolarHBondContact O-N 3.05Å; L1213-C1215 PolarHBondContact O-N 3.5Å; C1215-T1242 PolarHBondContact O-N 3.29Å; C1215-A1245 HydrophobicContact CB-CB 3.74Å; C1215-F1249 HydrophobicContact CB-CE2 4.24Å
1216S90.2Very high86.5Confident2 Ų240.1 Ų40.11%0.01422%0.221CC..SBendtrans-80.8168.3-178.373.20000112.6M1212 L1213 R1218 G1241M1212-S1216 PolarHBondContact O-N 3.45Å; L1213-S1216 WeakPolarHBondContact O-CB 3.46Å; L1213-S1216 PolarHBondContact O-N 3.29Å; L1213-S1216 PolarHBondContact O-OG 2.99Å; S1216-R1218 VanDerWaalsContact C-N 3.28Å; S1216-R1218 PolarHBondContact O-N 3.29Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.4Å; S1216-R1218 PolarHBondContact OG-NE 3.4Å; S1216-G1241 WeakPolarHBondContact O-CA 3.41Å
1217D86.3Confident85.6Confident111 Ų11140.5 Ų40.559%0.59422%0.223SC*.SBendtrans-73.380.9-179.5-169.415000110.9
1218R82.6Confident84.1Confident51 Ų5142.6 Ų42.619%0.19224%0.237CC..  trans-118.8147.5179.3-71.9177.2178.7-133.7-22.6110.7D898 L1213 S1216 S1220 V1221D898-R1218 IonicContact OD1-CZ 3.99Å; D898-R1218 VanDerWaalsContact OD1-CZ 3.27Å; D898-R1218 IonicContact OD1-NH1 3.21Å; D898-R1218 PolarHBondContact OD1-NH1 3.41Å; D898-R1218 IonicContact OD1-NH2 2.67Å; D898-R1218 PolarHBondContact OD1-NH2 3.02Å; D898-R1218 IonicContact OD2-CZ 3.61Å; D898-R1218 IonicContact OD2-NH1 2.72Å; D898-R1218 PolarHBondContact OD2-NH1 3.05Å; D898-R1218 IonicContact OD2-NH2 2.8Å; D898-R1218 PolarHBondContact OD2-NH2 3.24Å; L1213-R1218 WeakPolarHBondContact O-CD 3.5Å; S1216-R1218 VanDerWaalsContact C-N 3.28Å; S1216-R1218 PolarHBondContact O-N 3.29Å; S1216-R1218 WeakPolarHBondContact OG-CG 3.4Å; S1216-R1218 PolarHBondContact OG-NE 3.4Å; R1218-S1220 PolarHBondContact O-N 3.4Å; R1218-S1220 VanDerWaalsContact O-N 3.15Å; R1218-V1221 HydrophobicContact CB-CG2 4.07Å; R1218-V1221 PolarHBondContact O-N 3.38Å
1219P78.9Confident82.3Confident132 Ų13250.8 Ų50.886%0.85727%0.273SS*.THydrogen-bonded Turntrans-63.3-21.1177.526.4-34.6000113.4V1221P1219-V1221 VanDerWaalsContact C-N 3.26Å; P1219-V1221 PolarHBondContact O-N 3.02Å
1220S77.1Confident80.4Confident61 Ų6154.1 Ų54.143%0.42729%0.288SS..THydrogen-bonded Turntrans-69.9-20.2174.152.60000113.6R1218 V1222R1218-S1220 PolarHBondContact O-N 3.4Å; R1218-S1220 VanDerWaalsContact O-N 3.15Å; S1220-V1222 PolarHBondContact O-N 3.22Å
1221V83.5Confident78.6Confident5 Ų555.4 Ų55.43%0.0329%0.292CS..  trans-93.684.8-171.7-175.60000109.9I1175 D1214 R1218 P1219 G1239 C1240I1175-V1221 HydrophobicContact CB-CG1 4.42Å; I1175-V1221 HydrophobicContact CD1-CG1 3.94Å; I1175-V1221 HydrophobicContact CG1-CG1 3.87Å; I1175-V1221 HydrophobicContact CG2-CG1 3.74Å; D1214-V1221 WeakPolarHBondContact O-CG2 3.28Å; R1218-V1221 HydrophobicContact CB-CG2 4.07Å; R1218-V1221 PolarHBondContact O-N 3.38Å; P1219-V1221 VanDerWaalsContact C-N 3.26Å; P1219-V1221 PolarHBondContact O-N 3.02Å; V1221-G1239 VanDerWaalsContact O-CA 3.28Å; V1221-G1239 WeakPolarHBondContact O-CA 3.43Å; V1221-C1240 PolarHBondContact O-N 2.99Å
1222V83.9Confident76.3Confident69 Ų6957.8 Ų57.842%0.41832%0.317SS..BIsolated β-bridgetrans-83.7146.9-177.8-170.10000111A1176 S1220 T1238A1176-V1222 VanDerWaalsContact CB-O 3.25Å; A1176-V1222 WeakPolarHBondContact CB-O 3.39Å; A1176-V1222 PolarHBondContact N-O 3.05Å; S1220-V1222 PolarHBondContact O-N 3.22Å; V1222-T1238 WeakPolarHBondContact CA-O 3.38Å
1223C83Confident74.1Confident22 Ų2267.5 Ų67.515%0.14936%0.362CS..BIsolated β-bridgetrans-69.1148.5170.1-64.60000112.4F1227 T1238 G1239 C1240C1223-F1227 HydrophobicContact CB-CD1 4.45Å; C1223-T1238 PolarHBondContact N-O 3.27Å; C1223-G1239 VanDerWaalsContact SG-C 3.59Å; C1223-C1240 WeakPolarHBondContact CA-SG 3.34Å; C1223-C1240 HydrophobicContact CB-CB 3.95Å; C1223-C1240 WeakPolarHBondContact CB-SG 3.06Å; C1223-C1240 VanDerWaalsContact SG-CA 3.55Å; C1223-C1240 WeakPolarHBondContact SG-CB 3.33Å; C1223-C1240 CovalentContact SG-SG 2.02Å; C1223-C1240 PolarHBondContact SG-SG 3.11Å
1224D82.8Confident72.1Confident16 Ų1676.3 Ų76.39%0.08640%0.403CS..PPolyproline II helixtrans-61.4146.4172.8-153.2-68.6000112.4L726 K1174 R1190 D1226 F1227 S1228L726-D1224 HydrophobicContact CD2-CB 3.95Å; K1174-D1224 PolarHBondContact O-N 3.08Å; R1190-D1224 IonicContact CZ-OD2 3.91Å; R1190-D1224 IonicContact NH2-OD2 3.75Å; R1190-D1224 PolarHBondContact NH2-OD2 3.18Å; D1224-D1226 VanDerWaalsContact C-N 3.29Å; D1224-D1226 PolarHBondContact O-N 3.37Å; D1224-D1226 PolarHBondContact OD1-N 2.96Å; D1224-D1226 VanDerWaalsContact OD1-N 3.15Å; D1224-F1227 PolarHBondContact O-N 3.06Å; D1224-S1228 PolarHBondContact O-N 3.11Å; D1224-S1228 VanDerWaalsContact O-N 3.07Å
1225K77.3Confident69.9Low158 Ų15883.7 Ų83.769%0.68743%0.434SS*.Hα-helixtrans-60.3-42.4178.5-67-179.2-176.4173.50110.7F1227 S1228 F1229K1225-F1227 PolarHBondContact O-N 3.25Å; K1225-S1228 WeakPolarHBondContact CA-OG 3.41Å; K1225-S1228 PolarHBondContact O-N 2.96Å; K1225-S1228 PolarHBondContact O-OG 3.41Å; K1225-F1229 HydrophobicContact CB-CE2 4.4Å; K1225-F1229 WeakPolarHBondContact O-CD2 3.27Å; K1225-F1229 PolarHBondContact O-N 3.21Å; K1225-F1229 VanDerWaalsContact O-N 3.16Å
1226D72.5Confident68Low94 Ų9488 Ų8850%0.50348%0.479SS..Hα-helixtrans-62.3-32.2-178-67.8-19000112.1D1224D1224-D1226 VanDerWaalsContact C-N 3.29Å; D1224-D1226 PolarHBondContact O-N 3.37Å; D1224-D1226 PolarHBondContact OD1-N 2.96Å; D1224-D1226 VanDerWaalsContact OD1-N 3.15Å
1227F70.3Confident66.3Low13 Ų1391.7 Ų91.76%0.05751%0.505CS..Hα-helixtrans-75.4-39.4173.4-176.8-102.5000112K1174 C1223 D1224 K1225 F1229 E1230 E1231K1174-F1227 HydrophobicContact CD-CD2 4.07Å; K1174-F1227 HydrophobicContact CD-CE1 4.27Å; K1174-F1227 HydrophobicContact CD-CE2 3.81Å; K1174-F1227 HydrophobicContact CD-CG 4.43Å; K1174-F1227 HydrophobicContact CD-CZ 3.94Å; K1174-F1227 HydrophobicContact CG-CD2 4.44Å; C1223-F1227 HydrophobicContact CB-CD1 4.45Å; D1224-F1227 PolarHBondContact O-N 3.06Å; K1225-F1227 PolarHBondContact O-N 3.25Å; F1227-F1229 VanDerWaalsContact C-N 3.3Å; F1227-F1229 PolarHBondContact O-N 3.35Å; F1227-E1230 PolarHBondContact O-N 3.17Å; F1227-E1231 HydrophobicContact CZ-CG 4.45Å
1228S57.1Low65.3Low63 Ų6391.5 Ų91.544%0.44151%0.507SS..Hα-helixtrans-66.2-27-177.871.90000114.3D1224 K1225 E1230D1224-S1228 PolarHBondContact O-N 3.11Å; D1224-S1228 VanDerWaalsContact O-N 3.07Å; K1225-S1228 WeakPolarHBondContact CA-OG 3.41Å; K1225-S1228 PolarHBondContact O-N 2.96Å; K1225-S1228 PolarHBondContact O-OG 3.41Å; S1228-E1230 VanDerWaalsContact C-N 3.33Å; S1228-E1230 PolarHBondContact O-N 3.4Å
1229F55.1Low64.9Low173 Ų17390.6 Ų90.676%0.75951%0.514SS*.THydrogen-bonded Turntrans-70.1-25.4176.4-80.8-74.3000113.4K1225 F1227K1225-F1229 HydrophobicContact CB-CE2 4.4Å; K1225-F1229 WeakPolarHBondContact O-CD2 3.27Å; K1225-F1229 PolarHBondContact O-N 3.21Å; K1225-F1229 VanDerWaalsContact O-N 3.16Å; F1227-F1229 VanDerWaalsContact C-N 3.3Å; F1227-F1229 PolarHBondContact O-N 3.35Å
1230E54.4Low65Low74 Ų7485.3 Ų85.335%0.34648%0.48SS..THydrogen-bonded Turntrans-84.6-30.7179.4-75.7-168.616700113.5K728 F1227 S1228K728-E1230 PolarHBondContact N-OE2 3.03Å; F1227-E1230 PolarHBondContact O-N 3.17Å; S1228-E1230 VanDerWaalsContact C-N 3.33Å; S1228-E1230 PolarHBondContact O-N 3.4Å
1231E54.5Low65.2Low91 Ų9182.9 Ų82.943%0.42547%0.465SS..SBendtrans-10425.7-178.8-71.9-173.4179.900113K728 F1227 E1233K728-E1231 IonicContact NZ-OE1 3.89Å; K728-E1231 PolarHBondContact NZ-OE1 3.19Å; F1227-E1231 HydrophobicContact CZ-CG 4.45Å; E1231-E1233 PolarHBondContact O-N 3.42Å
1232G45.2Very low65.4Low50 Ų5084.9 Ų84.952%0.51548%0.477SS..THydrogen-bonded Turntrans-37.8125.8-177.400000115.6E1234G1232-E1234 PolarHBondContact O-N 2.66Å
1233E46.3Very low65.6Low204 Ų20486 Ų8695%0.95348%0.481SS*.THydrogen-bonded Turntrans75.5-17.5163.4-64.5-172.2152.200121.1E1231E1231-E1233 PolarHBondContact O-N 3.42Å
1234E49.5Very low66Low189 Ų18989.9 Ų89.988%0.88350%0.495SS*.SBendtrans-86.4-12.2-169.4-79.1-164.4159.900117.1G1232G1232-E1234 PolarHBondContact O-N 2.66Å
1235K46.8Very low66.4Low179 Ų17989.1 Ų89.178%0.77849%0.491SS*.  trans-142.3110.8172-67.8-177.7-177.9174.10109.9S1237K1235-S1237 PolarHBondContact O-N 2.64Å
1236G50Low67.1Low91 Ų9184.4 Ų84.494%0.93847%0.469SS*.  trans-6431.4174.700000115.4
1237S55.6Low68.1Low80 Ų8083.1 Ų83.156%0.55947%0.466SS*.  trans-97.2102.1172.157.70000109.1K1235 G1239K1235-S1237 PolarHBondContact O-N 2.64Å; S1237-G1239 PolarHBondContact O-N 3.44Å
1238T65.4Low69.2Low106 Ų10682.6 Ų82.665%0.6546%0.464SS*.  trans-73.9-10173.447.60000113.2V1222 C1223V1222-T1238 WeakPolarHBondContact CA-O 3.38Å; C1223-T1238 PolarHBondContact N-O 3.27Å
1239G73Confident71.1Confident32 Ų3279.7 Ų79.733%0.3344%0.444SS..BIsolated β-bridgetrans-86.3134.7-175.800000114.2V1221 C1223 S1237V1221-G1239 VanDerWaalsContact O-CA 3.28Å; V1221-G1239 WeakPolarHBondContact O-CA 3.43Å; C1223-G1239 VanDerWaalsContact SG-C 3.59Å; S1237-G1239 PolarHBondContact O-N 3.44Å
1240C80.9Confident72.8Confident21 Ų2173.1 Ų73.114%0.14242%0.416CS..  trans-111.2-2.2177.2-96.30000114.1I1175 V1221 C1223I1175-C1240 HydrophobicContact CG1-CB 4.39Å; V1221-C1240 PolarHBondContact O-N 2.99Å; C1223-C1240 WeakPolarHBondContact CA-SG 3.34Å; C1223-C1240 HydrophobicContact CB-CB 3.95Å; C1223-C1240 WeakPolarHBondContact CB-SG 3.06Å; C1223-C1240 VanDerWaalsContact SG-CA 3.55Å; C1223-C1240 WeakPolarHBondContact SG-CB 3.33Å; C1223-C1240 CovalentContact SG-SG 2.02Å; C1223-C1240 PolarHBondContact SG-SG 3.11Å
1241G82.7Confident74.7Confident11 Ų1171.6 Ų71.611%0.11341%0.413CS..  trans-70.4156.6-179.700000114S1216S1216-G1241 WeakPolarHBondContact O-CA 3.41Å
1242T87.4Confident76.6Confident47 Ų4767.3 Ų67.329%0.28839%0.393SS..  trans-140.6136.9177.5700000112.8C1215 F1244 A1245C1215-T1242 PolarHBondContact O-N 3.29Å; T1242-F1244 PolarHBondContact O-N 3.35Å; T1242-A1245 WeakPolarHBondContact O-CB 3.44Å; T1242-A1245 PolarHBondContact O-N 3.05Å
1243D88.8Confident78.8Confident93 Ų9366.4 Ų66.450%0.49738%0.375SS..THydrogen-bonded Turntrans-63.6-6.4173.8-82-3.7000114.3A1245 Y1246 P1247D1243-A1245 PolarHBondContact O-N 2.88Å; D1243-Y1246 WeakPolarHBondContact O-CD2 3.36Å; D1243-Y1246 PolarHBondContact O-N 3.41Å; D1243-P1247 WeakPolarHBondContact O-CD 3.43Å
1244F89.6Confident80.8Confident103 Ų10361.2 Ų61.245%0.45235%0.354SS..THydrogen-bonded Turntrans-65.8-14.8168.8-173-108.7000112.6I1167 V1171 T1242 Y1246 P1247 Y1248I1167-F1244 HydrophobicContact CG2-CE1 4.28Å; V1171-F1244 HydrophobicContact CG1-CD1 4.45Å; T1242-F1244 PolarHBondContact O-N 3.35Å; F1244-Y1246 VanDerWaalsContact C-N 3.34Å; F1244-Y1246 PolarHBondContact O-N 3.2Å; F1244-P1247 HydrophobicContact CD2-CG 3.95Å; F1244-P1247 HydrophobicContact CE2-CG 4.31Å; F1244-P1247 VanDerWaalsContact O-CD 3.23Å; F1244-P1247 WeakPolarHBondContact O-CD 3.2Å; F1244-P1247 VanDerWaalsContact O-CG 3.3Å; F1244-P1247 WeakPolarHBondContact O-CG 3.44Å; F1244-Y1248 HydrophobicContact CE1-CD2 4.38Å; F1244-Y1248 VanDerWaalsContact O-CB 3.28Å; F1244-Y1248 WeakPolarHBondContact O-CB 3.44Å; F1244-Y1248 PolarHBondContact O-N 3.34Å; F1244-Y1248 VanDerWaalsContact O-N 3.12Å
1245A92.1Very high82.6Confident0 Ų056.1 Ų56.10%033%0.332CS..Hα-helixtrans-55.8-43.4173.200000113.1F1172 M1212 C1215 T1242 D1243 Y1248 F1249F1172-A1245 HydrophobicContact CE1-CB 4.09Å; F1172-A1245 HydrophobicContact CZ-CB 3.97Å; M1212-A1245 HydrophobicContact CG-CB 4.41Å; C1215-A1245 HydrophobicContact CB-CB 3.74Å; T1242-A1245 WeakPolarHBondContact O-CB 3.44Å; T1242-A1245 PolarHBondContact O-N 3.05Å; D1243-A1245 PolarHBondContact O-N 2.88Å; A1245-Y1248 PolarHBondContact O-N 3.45Å; A1245-F1249 HydrophobicContact CB-CD2 4.45Å; A1245-F1249 WeakPolarHBondContact O-CD2 3.46Å; A1245-F1249 PolarHBondContact O-N 2.73Å
1246Y92.4Very high84.6Confident58 Ų5847.6 Ų47.623%0.22730%0.295CS..Hα-helixtrans-56.7-58.6180-63.6-80.6000113V909 M1212 L1213 D1243 F1244 Y1248 I1250V909-Y1246 HydrophobicContact CG1-CD1 4.39Å; M1212-Y1246 HydrophobicContact CE-CD1 3.76Å; M1212-Y1246 HydrophobicContact CE-CE1 3.82Å; M1212-Y1246 HydrophobicContact CG-CD1 4.32Å; M1212-Y1246 HydrophobicContact SD-CD1 3.61Å; M1212-Y1246 HydrophobicContact SD-CE1 4.24Å; M1212-Y1246 HydrophobicContact SD-CG 4.33Å; L1213-Y1246 HydrophobicContact CD2-CE1 4.38Å; D1243-Y1246 WeakPolarHBondContact O-CD2 3.36Å; D1243-Y1246 PolarHBondContact O-N 3.41Å; F1244-Y1246 VanDerWaalsContact C-N 3.34Å; F1244-Y1246 PolarHBondContact O-N 3.2Å; Y1246-Y1248 VanDerWaalsContact C-N 3.28Å; Y1246-Y1248 PolarHBondContact O-N 2.72Å; Y1246-I1250 WeakPolarHBondContact O-CB 3.46Å; Y1246-I1250 VanDerWaalsContact O-CG1 3.25Å; Y1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; Y1246-I1250 PolarHBondContact O-N 2.67Å; Y1246-I1250 VanDerWaalsContact O-N 3.12Å
1247P93.3Very high86.3Confident67 Ų6744.9 Ų44.944%0.43526%0.262SS..Hα-helixtrans-66.1-29.5177.926.1-34.6000112.9D1243 F1244 S1251D1243-P1247 WeakPolarHBondContact O-CD 3.43Å; F1244-P1247 HydrophobicContact CD2-CG 3.95Å; F1244-P1247 HydrophobicContact CE2-CG 4.31Å; F1244-P1247 VanDerWaalsContact O-CD 3.23Å; F1244-P1247 WeakPolarHBondContact O-CD 3.2Å; F1244-P1247 VanDerWaalsContact O-CG 3.3Å; F1244-P1247 WeakPolarHBondContact O-CG 3.44Å; P1247-S1251 WeakPolarHBondContact O-CB 3.26Å; P1247-S1251 PolarHBondContact O-N 3.22Å; P1247-S1251 VanDerWaalsContact O-N 3.08Å; P1247-S1251 PolarHBondContact O-OG 3.12Å
1248Y94.2Very high87.6Confident3 Ų342.2 Ų42.21%0.01224%0.242CC..Hα-helixtrans-62-55.9177.4175-91.2000111.7Y1164 I1167 F1172 L1199 F1244 A1245 Y1246 S1251 F1252Y1164-Y1248 AromaticContact CD1-CD2 3.88Å; Y1164-Y1248 HydrophobicContact CD1-CD2 3.88Å; Y1164-Y1248 AromaticContact CD1-CE2 3.48Å; Y1164-Y1248 HydrophobicContact CD1-CE2 3.48Å; Y1164-Y1248 VanDerWaalsContact CD1-CE2 3.48Å; Y1164-Y1248 AromaticContact CD1-CZ 3.86Å; Y1164-Y1248 HydrophobicContact CE1-CD2 4.18Å; Y1164-Y1248 HydrophobicContact CE1-CE2 4.24Å; Y1164-Y1248 HydrophobicContact CG-CE2 4.33Å; Y1164-Y1248 PolarHBondContact O-OH 2.92Å; I1167-Y1248 HydrophobicContact CB-CE2 4.06Å; I1167-Y1248 HydrophobicContact CG2-CD2 3.9Å; I1167-Y1248 HydrophobicContact CG2-CE2 3.74Å; F1172-Y1248 AromaticContact CE2-CD1 3.86Å; F1172-Y1248 HydrophobicContact CE2-CD1 3.86Å; F1172-Y1248 HydrophobicContact CE2-CD2 4.48Å; F1172-Y1248 HydrophobicContact CE2-CE1 4.07Å; F1172-Y1248 HydrophobicContact CE2-CG 4.09Å; L1199-Y1248 HydrophobicContact CD2-CE1 4.19Å; L1199-Y1248 WeakPolarHBondContact CD2-OH 3.26Å; F1244-Y1248 HydrophobicContact CE1-CD2 4.38Å; F1244-Y1248 VanDerWaalsContact O-CB 3.28Å; F1244-Y1248 WeakPolarHBondContact O-CB 3.44Å; F1244-Y1248 PolarHBondContact O-N 3.34Å; F1244-Y1248 VanDerWaalsContact O-N 3.12Å; A1245-Y1248 PolarHBondContact O-N 3.45Å; Y1246-Y1248 VanDerWaalsContact C-N 3.28Å; Y1246-Y1248 PolarHBondContact O-N 2.72Å; Y1248-S1251 PolarHBondContact O-OG 3.41Å; Y1248-S1251 VanDerWaalsContact O-OG 3.11Å; Y1248-F1252 WeakPolarHBondContact O-CB 3.01Å; Y1248-F1252 PolarHBondContact O-N 3.36Å
1249F95Very high88.5Confident2 Ų237.9 Ų37.91%0.00922%0.215CC..Hα-helixtrans-72-42.7-177.1-76.7-77.6000112.8F1189 W1208 I1211 M1212 C1215 A1245 S1251 F1252 F1253F1189-F1249 HydrophobicContact CE2-CZ 4.2Å; F1189-F1249 HydrophobicContact CZ-CE1 4.46Å; F1189-F1249 AromaticContact CZ-CZ 3.93Å; F1189-F1249 HydrophobicContact CZ-CZ 3.93Å; W1208-F1249 HydrophobicContact CE3-CB 3.83Å; W1208-F1249 HydrophobicContact CE3-CG 4.49Å; W1208-F1249 HydrophobicContact CZ3-CB 3.83Å; I1211-F1249 HydrophobicContact CB-CZ 4.44Å; I1211-F1249 HydrophobicContact CG2-CE1 4.07Å; I1211-F1249 HydrophobicContact CG2-CZ 3.68Å; M1212-F1249 HydrophobicContact CB-CB 4.17Å; M1212-F1249 HydrophobicContact CB-CD2 3.62Å; M1212-F1249 HydrophobicContact CB-CE2 4.23Å; M1212-F1249 HydrophobicContact CB-CG 3.97Å; M1212-F1249 HydrophobicContact CG-CB 4.18Å; M1212-F1249 HydrophobicContact CG-CD2 3.84Å; M1212-F1249 HydrophobicContact CG-CG 4.32Å; M1212-F1249 HydrophobicContact SD-CB 4.41Å; C1215-F1249 HydrophobicContact CB-CE2 4.24Å; A1245-F1249 HydrophobicContact CB-CD2 4.45Å; A1245-F1249 WeakPolarHBondContact O-CD2 3.46Å; A1245-F1249 PolarHBondContact O-N 2.73Å; F1249-S1251 VanDerWaalsContact C-N 3.35Å; F1249-S1251 PolarHBondContact O-N 2.9Å; F1249-F1252 PolarHBondContact O-N 2.88Å; F1249-F1253 WeakPolarHBondContact O-CB 3.49Å; F1249-F1253 PolarHBondContact O-N 3.06Å
1250I92.7Very high89Confident35 Ų3537.5 Ų37.518%0.17921%0.206CC..Hα-helixtrans-62.1-42.9178.6-66171.3000110.9V909 F912 W1208 Y1246 L1254V909-I1250 HydrophobicContact CG2-CD1 4.38Å; F912-I1250 HydrophobicContact CD1-CG1 4.12Å; F912-I1250 HydrophobicContact CD1-CG2 4.28Å; F912-I1250 HydrophobicContact CE1-CB 4.29Å; F912-I1250 HydrophobicContact CE1-CG1 4.05Å; F912-I1250 HydrophobicContact CE1-CG2 3.86Å; F912-I1250 HydrophobicContact CE2-CG2 4.41Å; F912-I1250 HydrophobicContact CZ-CG2 3.93Å; W1208-I1250 HydrophobicContact CH2-CG1 4.09Å; W1208-I1250 HydrophobicContact CZ3-CG1 4.29Å; Y1246-I1250 WeakPolarHBondContact O-CB 3.46Å; Y1246-I1250 VanDerWaalsContact O-CG1 3.25Å; Y1246-I1250 WeakPolarHBondContact O-CG1 3.47Å; Y1246-I1250 PolarHBondContact O-N 2.67Å; Y1246-I1250 VanDerWaalsContact O-N 3.12Å; I1250-L1254 HydrophobicContact CG2-CD1 4.25Å; I1250-L1254 WeakPolarHBondContact O-CG 3.43Å; I1250-L1254 PolarHBondContact O-N 3.39Å; I1250-L1254 VanDerWaalsContact O-N 3.1Å
1251S92.6Very high89Confident42 Ų4237.8 Ų37.829%0.29421%0.205SC..Hα-helixtrans-69.6-39.3177.9680000112.5Y1164 P1247 Y1248 F1249 L1255Y1164-S1251 PolarHBondContact OH-OG 3.16Å; P1247-S1251 WeakPolarHBondContact O-CB 3.26Å; P1247-S1251 PolarHBondContact O-N 3.22Å; P1247-S1251 VanDerWaalsContact O-N 3.08Å; P1247-S1251 PolarHBondContact O-OG 3.12Å; Y1248-S1251 PolarHBondContact O-OG 3.41Å; Y1248-S1251 VanDerWaalsContact O-OG 3.11Å; F1249-S1251 VanDerWaalsContact C-N 3.35Å; F1249-S1251 PolarHBondContact O-N 2.9Å; S1251-L1255 WeakPolarHBondContact O-CB 3.45Å; S1251-L1255 VanDerWaalsContact O-CG 3.28Å; S1251-L1255 WeakPolarHBondContact O-CG 3.4Å; S1251-L1255 PolarHBondContact O-N 3.48Å
1252F94.3Very high88.7Confident1 Ų137.6 Ų37.60%0.00420%0.202CC..Hα-helixtrans-59.8-49.2175.7175.7-103.6000111L1160 F1161 Y1164 L1199 A1203 Y1248 F1249 L1255 S1256L1160-F1252 HydrophobicContact CD2-CD2 4.39Å; L1160-F1252 HydrophobicContact CD2-CE2 4.29Å; F1161-F1252 HydrophobicContact CD2-CE2 4.26Å; F1161-F1252 HydrophobicContact CD2-CZ 4.42Å; F1161-F1252 HydrophobicContact CE1-CZ 4.23Å; F1161-F1252 HydrophobicContact CE2-CE2 4.3Å; F1161-F1252 HydrophobicContact CE2-CZ 4.09Å; F1161-F1252 HydrophobicContact CZ-CZ 4.01Å; Y1164-F1252 HydrophobicContact CD1-CB 3.76Å; Y1164-F1252 AromaticContact CD1-CD2 3.83Å; Y1164-F1252 HydrophobicContact CD1-CD2 3.83Å; Y1164-F1252 HydrophobicContact CD1-CG 4.17Å; Y1164-F1252 AromaticContact CD2-CD2 3.98Å; Y1164-F1252 HydrophobicContact CD2-CD2 3.98Å; Y1164-F1252 HydrophobicContact CE1-CB 3.64Å; Y1164-F1252 HydrophobicContact CE1-CD2 4.31Å; Y1164-F1252 HydrophobicContact CE1-CG 4.46Å; Y1164-F1252 HydrophobicContact CE2-CD2 4.45Å; Y1164-F1252 HydrophobicContact CG-CB 4.44Å; Y1164-F1252 AromaticContact CG-CD2 3.64Å; Y1164-F1252 HydrophobicContact CG-CD2 3.64Å; Y1164-F1252 HydrophobicContact CG-CE2 4.43Å; Y1164-F1252 HydrophobicContact CG-CG 4.44Å; L1199-F1252 HydrophobicContact CB-CE1 4.2Å; L1199-F1252 HydrophobicContact CB-CE2 4.25Å; L1199-F1252 HydrophobicContact CB-CZ 3.74Å; L1199-F1252 HydrophobicContact CD1-CE2 4.5Å; L1199-F1252 HydrophobicContact CD2-CD1 3.94Å; L1199-F1252 HydrophobicContact CD2-CD2 3.99Å; L1199-F1252 HydrophobicContact CD2-CE1 3.87Å; L1199-F1252 HydrophobicContact CD2-CE2 3.92Å; L1199-F1252 HydrophobicContact CD2-CG 4Å; L1199-F1252 HydrophobicContact CD2-CZ 3.86Å; L1199-F1252 HydrophobicContact CG-CE2 4.44Å; L1199-F1252 HydrophobicContact CG-CZ 4.3Å; L1199-F1252 VanDerWaalsContact O-CE1 3.26Å; L1199-F1252 WeakPolarHBondContact O-CE1 3.48Å; L1199-F1252 WeakPolarHBondContact O-CZ 3.35Å; A1203-F1252 HydrophobicContact CB-CE1 4.08Å; A1203-F1252 HydrophobicContact CB-CZ 4.18Å; Y1248-F1252 WeakPolarHBondContact O-CB 3.01Å; Y1248-F1252 PolarHBondContact O-N 3.36Å; F1249-F1252 PolarHBondContact O-N 2.88Å; F1252-L1255 PolarHBondContact O-N 2.99Å; F1252-S1256 WeakPolarHBondContact O-CB 3.3Å; F1252-S1256 PolarHBondContact O-N 2.8Å; F1252-S1256 PolarHBondContact O-OG 3.22Å
1253F91.9Very high88.5Confident31 Ų3136.1 Ų36.114%0.13619%0.192CC..Hα-helixtrans-59.9-50.2179.5-170.9-89000111.3F912 T916 F1249 L1255 S1256 S1257F912-F1253 HydrophobicContact CZ-CD1 4.14Å; T916-F1253 HydrophobicContact CG2-CD1 3.89Å; T916-F1253 HydrophobicContact CG2-CE1 3.28Å; T916-F1253 HydrophobicContact CG2-CE2 4.37Å; T916-F1253 HydrophobicContact CG2-CZ 3.57Å; F1249-F1253 WeakPolarHBondContact O-CB 3.49Å; F1249-F1253 PolarHBondContact O-N 3.06Å; F1253-L1255 PolarHBondContact O-N 2.94Å; F1253-S1256 PolarHBondContact O-N 3.4Å; F1253-S1256 PolarHBondContact O-OG 3.46Å; F1253-S1256 VanDerWaalsContact O-OG 3.06Å; F1253-S1257 WeakPolarHBondContact O-CB 3.47Å; F1253-S1257 PolarHBondContact O-N 3.4Å; F1253-S1257 PolarHBondContact O-OG 2.84Å
1254L87.7Confident88Confident95 Ų9532.8 Ų32.850%0.49717%0.173SC..Hα-helixtrans-59.9-44178.5-75.5176.1000113.2F912 I1250 C1258F912-L1254 HydrophobicContact CE2-CD1 4.31Å; F912-L1254 HydrophobicContact CE2-CD2 3.84Å; F912-L1254 HydrophobicContact CE2-CG 4.08Å; F912-L1254 HydrophobicContact CZ-CD1 4.43Å; F912-L1254 HydrophobicContact CZ-CD2 4.01Å; F912-L1254 HydrophobicContact CZ-CG 3.91Å; I1250-L1254 HydrophobicContact CG2-CD1 4.25Å; I1250-L1254 WeakPolarHBondContact O-CG 3.43Å; I1250-L1254 PolarHBondContact O-N 3.39Å; I1250-L1254 VanDerWaalsContact O-N 3.1Å; L1254-C1258 WeakPolarHBondContact O-CB 3.45Å; L1254-C1258 PolarHBondContact O-N 3.22Å
1255L88Confident87.4Confident81 Ų8128.1 Ų28.142%0.42415%0.153SC..Hα-helixtrans-71.8-40.6-179.5-69.8176.1000112.1L1160 Y1164 S1251 F1252 F1253 L1259L1160-L1255 HydrophobicContact CD1-CB 4.17Å; L1160-L1255 HydrophobicContact CD1-CD1 4.1Å; L1160-L1255 HydrophobicContact CD2-CB 4.16Å; Y1164-L1255 HydrophobicContact CE2-CD1 4.4Å; S1251-L1255 WeakPolarHBondContact O-CB 3.45Å; S1251-L1255 VanDerWaalsContact O-CG 3.28Å; S1251-L1255 WeakPolarHBondContact O-CG 3.4Å; S1251-L1255 PolarHBondContact O-N 3.48Å; F1252-L1255 PolarHBondContact O-N 2.99Å; F1253-L1255 PolarHBondContact O-N 2.94Å; L1255-L1259 WeakPolarHBondContact O-CB 3.01Å; L1255-L1259 VanDerWaalsContact O-CG 3.3Å; L1255-L1259 WeakPolarHBondContact O-CG 3.33Å; L1255-L1259 PolarHBondContact O-N 3.11Å
1256S89.9Confident86.6Confident1 Ų128.7 Ų28.71%0.00716%0.157CC..Hα-helixtrans-66.7-48.1178.470.60000110.5F1252 F1253 C1258 L1259 I1260F1252-S1256 WeakPolarHBondContact O-CB 3.3Å; F1252-S1256 PolarHBondContact O-N 2.8Å; F1252-S1256 PolarHBondContact O-OG 3.22Å; F1253-S1256 PolarHBondContact O-N 3.4Å; F1253-S1256 PolarHBondContact O-OG 3.46Å; F1253-S1256 VanDerWaalsContact O-OG 3.06Å; S1256-C1258 PolarHBondContact O-N 3.02Å; S1256-L1259 PolarHBondContact O-N 3.23Å; S1256-I1260 WeakPolarHBondContact O-CB 3.45Å; S1256-I1260 VanDerWaalsContact O-CG1 3.22Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.37Å; S1256-I1260 PolarHBondContact O-N 3.46Å
1257S85Confident86Confident34 Ų3426 Ų2624%0.23815%0.147CC..Hα-helixtrans-60.2-42.7175.7-56.70000111.7F1253 L1259 I1260 I1261F1253-S1257 WeakPolarHBondContact O-CB 3.47Å; F1253-S1257 PolarHBondContact O-N 3.4Å; F1253-S1257 PolarHBondContact O-OG 2.84Å; S1257-L1259 PolarHBondContact O-N 3.19Å; S1257-I1260 PolarHBondContact O-N 3.26Å; S1257-I1261 WeakPolarHBondContact O-CB 3.5Å; S1257-I1261 WeakPolarHBondContact O-CD1 3.33Å; S1257-I1261 WeakPolarHBondContact O-CG1 3.37Å; S1257-I1261 PolarHBondContact O-N 2.72Å
1258C82.1Confident85.2Confident23 Ų2323.5 Ų23.516%0.15513%0.13CC..Hα-helixtrans-61.6-43.7176.1-178.60000112.2L1254 S1256 N1262L1254-C1258 WeakPolarHBondContact O-CB 3.45Å; L1254-C1258 PolarHBondContact O-N 3.22Å; S1256-C1258 PolarHBondContact O-N 3.02Å; C1258-N1262 WeakPolarHBondContact O-CB 3.39Å; C1258-N1262 PolarHBondContact O-N 3.39Å; C1258-N1262 PolarHBondContact O-ND2 3.43Å; C1258-N1262 VanDerWaalsContact O-ND2 3.11Å
1259L84.3Confident84.2Confident15 Ų1525.4 Ų25.48%0.07914%0.139CC..Hα-helixtrans-70.5-37.5178.5-72.1177000113V825 L1156 I1157 L1160 L1255 S1256 S1257 N1262 L1263V825-L1259 HydrophobicContact CG2-CD2 4.31Å; L1156-L1259 HydrophobicContact CD2-CD2 3.59Å; L1156-L1259 HydrophobicContact CG-CD1 4.25Å; L1156-L1259 HydrophobicContact CG-CD2 4.19Å; I1157-L1259 HydrophobicContact CG1-CB 3.94Å; I1157-L1259 HydrophobicContact CG1-CD1 4.44Å; L1160-L1259 HydrophobicContact CB-CD1 4.35Å; L1160-L1259 HydrophobicContact CD2-CD1 4.11Å; L1255-L1259 WeakPolarHBondContact O-CB 3.01Å; L1255-L1259 VanDerWaalsContact O-CG 3.3Å; L1255-L1259 WeakPolarHBondContact O-CG 3.33Å; L1255-L1259 PolarHBondContact O-N 3.11Å; S1256-L1259 PolarHBondContact O-N 3.23Å; S1257-L1259 PolarHBondContact O-N 3.19Å; L1259-N1262 PolarHBondContact O-N 3.35Å; L1259-L1263 PolarHBondContact O-N 3.44Å
1260I84.4Confident83.2Confident25 Ų2529 Ų2913%0.12816%0.159CC..Hα-helixtrans-64.2-45.2175.1-70.2168.4000109.9S1256 S1257 N1262 L1263 F1264S1256-I1260 WeakPolarHBondContact O-CB 3.45Å; S1256-I1260 VanDerWaalsContact O-CG1 3.22Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.37Å; S1256-I1260 PolarHBondContact O-N 3.46Å; S1257-I1260 PolarHBondContact O-N 3.26Å; I1260-N1262 VanDerWaalsContact C-N 3.33Å; I1260-N1262 PolarHBondContact O-N 3.16Å; I1260-L1263 WeakPolarHBondContact O-CB 3.39Å; I1260-L1263 PolarHBondContact O-N 3.48Å; I1260-L1263 VanDerWaalsContact O-N 3.16Å; I1260-F1264 HydrophobicContact CG2-CD1 4.11Å; I1260-F1264 HydrophobicContact CG2-CD2 4.14Å; I1260-F1264 HydrophobicContact CG2-CE1 3.54Å; I1260-F1264 HydrophobicContact CG2-CE2 3.56Å; I1260-F1264 HydrophobicContact CG2-CG 4.41Å; I1260-F1264 HydrophobicContact CG2-CZ 3.24Å; I1260-F1264 VanDerWaalsContact O-CD1 3.22Å; I1260-F1264 WeakPolarHBondContact O-CD1 3.49Å; I1260-F1264 WeakPolarHBondContact O-CG 3.04Å; I1260-F1264 PolarHBondContact O-N 3.14Å
1261I80.6Confident82.3Confident26 Ų2628 Ų2813%0.13315%0.154CC..Hα-helixtrans-59.3-44.5173.8-68.8163.9000110.5F964 V965 V968 S1257 L1263 F1264 V1265F964-I1261 HydrophobicContact CD1-CD1 4.47Å; F964-I1261 HydrophobicContact CE1-CD1 4.12Å; V965-I1261 HydrophobicContact CG1-CG2 4.38Å; V965-I1261 HydrophobicContact CG2-CD1 4.06Å; V965-I1261 HydrophobicContact CG2-CG1 4.49Å; V965-I1261 HydrophobicContact CG2-CG2 4.22Å; V968-I1261 HydrophobicContact CG1-CG2 4.34Å; S1257-I1261 WeakPolarHBondContact O-CB 3.5Å; S1257-I1261 WeakPolarHBondContact O-CD1 3.33Å; S1257-I1261 WeakPolarHBondContact O-CG1 3.37Å; S1257-I1261 PolarHBondContact O-N 2.72Å; I1261-L1263 VanDerWaalsContact C-N 3.31Å; I1261-L1263 PolarHBondContact O-N 2.87Å; I1261-F1264 PolarHBondContact O-N 2.96Å; I1261-F1264 VanDerWaalsContact O-N 3.15Å; I1261-V1265 HydrophobicContact CG2-CG2 4.25Å; I1261-V1265 WeakPolarHBondContact O-CG2 3.45Å; I1261-V1265 PolarHBondContact O-N 3.49Å
1262N77.4Confident81.2Confident7 Ų727.6 Ų27.64%0.03715%0.147CC..Hα-helixtrans-62.1-37.8177-70.6-29.2000112.4F972 C1258 L1259 I1260 A1266F972-N1262 HydrophobicContact CE2-CB 4.48Å; F972-N1262 HydrophobicContact CZ-CB 4.48Å; C1258-N1262 WeakPolarHBondContact O-CB 3.39Å; C1258-N1262 PolarHBondContact O-N 3.39Å; C1258-N1262 PolarHBondContact O-ND2 3.43Å; C1258-N1262 VanDerWaalsContact O-ND2 3.11Å; L1259-N1262 PolarHBondContact O-N 3.35Å; I1260-N1262 VanDerWaalsContact C-N 3.33Å; I1260-N1262 PolarHBondContact O-N 3.16Å; N1262-A1266 VanDerWaalsContact O-CB 3.25Å; N1262-A1266 WeakPolarHBondContact O-CB 3.27Å; N1262-A1266 PolarHBondContact O-N 3.06Å
1263L82.3Confident80.1Confident17 Ų1729.6 Ų29.69%0.08916%0.157CC..Hα-helixtrans-63.1-44.8172.8178.168.2000110.9F1147 V1153 V1154 I1157 L1259 I1260 I1261 A1266 I1267F1147-L1263 HydrophobicContact CE1-CD2 4.39Å; V1153-L1263 HydrophobicContact CB-CD1 4.21Å; V1153-L1263 HydrophobicContact CG1-CB 4Å; V1153-L1263 HydrophobicContact CG1-CD1 3.94Å; V1154-L1263 HydrophobicContact CG2-CD1 4.02Å; I1157-L1263 HydrophobicContact CD1-CB 4.27Å; I1157-L1263 HydrophobicContact CD1-CD2 3.92Å; L1259-L1263 PolarHBondContact O-N 3.44Å; I1260-L1263 WeakPolarHBondContact O-CB 3.39Å; I1260-L1263 PolarHBondContact O-N 3.48Å; I1260-L1263 VanDerWaalsContact O-N 3.16Å; I1261-L1263 VanDerWaalsContact C-N 3.31Å; I1261-L1263 PolarHBondContact O-N 2.87Å; L1263-A1266 PolarHBondContact O-N 3.25Å; L1263-I1267 HydrophobicContact CD1-CD1 4.02Å; L1263-I1267 HydrophobicContact CD1-CG1 4.4Å; L1263-I1267 HydrophobicContact CG-CD1 3.88Å; L1263-I1267 VanDerWaalsContact O-CG1 3.27Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.42Å; L1263-I1267 PolarHBondContact O-N 2.74Å
1264F78.7Confident79.2Confident23 Ų2330.9 Ų30.910%0.10116%0.162CC..Hα-helixtrans-63.8-47.8-179.2-66.6-2.4000111.5F250 L253 N254 I1260 I1261 A1266 I1267 I1268F250-F1264 AromaticContact CD1-CZ 3.87Å; F250-F1264 HydrophobicContact CD1-CZ 3.87Å; L253-F1264 HydrophobicContact CD2-CE2 3.94Å; L253-F1264 HydrophobicContact CD2-CZ 4.48Å; N254-F1264 VanDerWaalsContact CG-CD1 3.43Å; N254-F1264 WeakPolarHBondContact ND2-CD1 3.36Å; N254-F1264 WeakPolarHBondContact ND2-CE1 3.19Å; N254-F1264 WeakPolarHBondContact OD1-CA 3.47Å; N254-F1264 WeakPolarHBondContact OD1-CB 3.32Å; N254-F1264 WeakPolarHBondContact OD1-CD1 3.19Å; N254-F1264 WeakPolarHBondContact OD1-CG 3.44Å; I1260-F1264 HydrophobicContact CG2-CD1 4.11Å; I1260-F1264 HydrophobicContact CG2-CD2 4.14Å; I1260-F1264 HydrophobicContact CG2-CE1 3.54Å; I1260-F1264 HydrophobicContact CG2-CE2 3.56Å; I1260-F1264 HydrophobicContact CG2-CG 4.41Å; I1260-F1264 HydrophobicContact CG2-CZ 3.24Å; I1260-F1264 VanDerWaalsContact O-CD1 3.22Å; I1260-F1264 WeakPolarHBondContact O-CD1 3.49Å; I1260-F1264 WeakPolarHBondContact O-CG 3.04Å; I1260-F1264 PolarHBondContact O-N 3.14Å; I1261-F1264 PolarHBondContact O-N 2.96Å; I1261-F1264 VanDerWaalsContact O-N 3.15Å; F1264-A1266 VanDerWaalsContact C-N 3.33Å; F1264-A1266 PolarHBondContact O-N 3.34Å; F1264-I1267 PolarHBondContact O-N 3.07Å; F1264-I1268 VanDerWaalsContact O-CG1 3.29Å; F1264-I1268 WeakPolarHBondContact O-CG1 3.18Å; F1264-I1268 PolarHBondContact O-N 3.34Å
1265V76.2Confident78.4Confident5 Ų527.6 Ų27.63%0.0315%0.145CC..Hα-helixtrans-61.3-43.2176.8174.70000110.8V968 I969 F972 I1261 I1267 I1268 M1269V968-V1265 HydrophobicContact CG1-CB 4.32Å; V968-V1265 HydrophobicContact CG1-CG1 4.38Å; V968-V1265 HydrophobicContact CG1-CG2 3.92Å; I969-V1265 HydrophobicContact CB-CG1 4.5Å; I969-V1265 HydrophobicContact CG1-CB 4.49Å; I969-V1265 HydrophobicContact CG1-CG1 4.08Å; I969-V1265 HydrophobicContact CG1-CG2 3.63Å; F972-V1265 HydrophobicContact CB-CG1 3.66Å; F972-V1265 HydrophobicContact CD2-CB 4.39Å; F972-V1265 HydrophobicContact CD2-CG1 3.71Å; F972-V1265 HydrophobicContact CG-CG1 3.84Å; I1261-V1265 HydrophobicContact CG2-CG2 4.25Å; I1261-V1265 WeakPolarHBondContact O-CG2 3.45Å; I1261-V1265 PolarHBondContact O-N 3.49Å; V1265-I1267 PolarHBondContact O-N 3.27Å; V1265-I1268 PolarHBondContact O-N 3.48Å; V1265-M1269 HydrophobicContact CG1-CG 4.37Å; V1265-M1269 WeakPolarHBondContact O-CB 3.38Å; V1265-M1269 VanDerWaalsContact O-CG 3.27Å; V1265-M1269 WeakPolarHBondContact O-CG 3.32Å; V1265-M1269 PolarHBondContact O-N 3.33Å
1266A76.5Confident77.6Confident11 Ų1125.6 Ų25.69%0.09114%0.136CC..Hα-helixtrans-63.1-41.4177.400000112.6L1150 N1262 L1263 F1264 M1269 D1270L1150-A1266 HydrophobicContact CD1-CB 3.43Å; L1150-A1266 VanDerWaalsContact CD1-CB 3.43Å; L1150-A1266 HydrophobicContact CD2-CB 4.13Å; L1150-A1266 HydrophobicContact CG-CB 4.42Å; N1262-A1266 VanDerWaalsContact O-CB 3.25Å; N1262-A1266 WeakPolarHBondContact O-CB 3.27Å; N1262-A1266 PolarHBondContact O-N 3.06Å; L1263-A1266 PolarHBondContact O-N 3.25Å; F1264-A1266 VanDerWaalsContact C-N 3.33Å; F1264-A1266 PolarHBondContact O-N 3.34Å; A1266-M1269 PolarHBondContact O-N 2.83Å; A1266-D1270 PolarHBondContact O-N 2.99Å
1267I79Confident76.8Confident2 Ų227.4 Ų27.41%0.0114%0.143CC..Hα-helixtrans-65.2-40.7175.4-68.5167.6000111.3F1143 F1147 L1150 L1263 F1264 V1265 M1269 N1271F1143-I1267 HydrophobicContact CD2-CG2 4.03Å; F1143-I1267 HydrophobicContact CE2-CG2 3.45Å; F1143-I1267 VanDerWaalsContact CE2-CG2 3.45Å; F1143-I1267 HydrophobicContact CZ-CD1 4.36Å; F1143-I1267 HydrophobicContact CZ-CG2 3.9Å; F1147-I1267 HydrophobicContact CD1-CD1 3.98Å; F1147-I1267 HydrophobicContact CE1-CD1 3.55Å; F1147-I1267 HydrophobicContact CZ-CD1 4Å; L1150-I1267 HydrophobicContact CD1-CG1 3.89Å; L1263-I1267 HydrophobicContact CD1-CD1 4.02Å; L1263-I1267 HydrophobicContact CD1-CG1 4.4Å; L1263-I1267 HydrophobicContact CG-CD1 3.88Å; L1263-I1267 VanDerWaalsContact O-CG1 3.27Å; L1263-I1267 WeakPolarHBondContact O-CG1 3.42Å; L1263-I1267 PolarHBondContact O-N 2.74Å; F1264-I1267 PolarHBondContact O-N 3.07Å; V1265-I1267 PolarHBondContact O-N 3.27Å; I1267-M1269 VanDerWaalsContact C-N 3.33Å; I1267-N1271 PolarHBondContact O-N 3.08Å; I1267-N1271 VanDerWaalsContact O-N 3.12Å; I1267-N1271 PolarHBondContact O-ND2 2.99Å
1268I76Confident76Confident14 Ų1428.9 Ų28.97%0.07215%0.148CC..Hα-helixtrans-63-43.1176.1-68.8168.1000109.8L257 F1264 V1265 N1271 F1272L257-I1268 HydrophobicContact CB-CD1 4.01Å; F1264-I1268 VanDerWaalsContact O-CG1 3.29Å; F1264-I1268 WeakPolarHBondContact O-CG1 3.18Å; F1264-I1268 PolarHBondContact O-N 3.34Å; V1265-I1268 PolarHBondContact O-N 3.48Å; I1268-N1271 CarbonylContact O-C 3.54Å; I1268-N1271 PolarHBondContact O-N 3.12Å; I1268-F1272 HydrophobicContact CG2-CD2 4.37Å; I1268-F1272 VanDerWaalsContact O-CA 3.26Å; I1268-F1272 WeakPolarHBondContact O-CA 3.4Å; I1268-F1272 VanDerWaalsContact O-CB 3.27Å; I1268-F1272 WeakPolarHBondContact O-CB 3.23Å; I1268-F1272 PolarHBondContact O-N 2.86Å
1269M73.1Confident75.6Confident43 Ų4333.8 Ų33.821%0.21216%0.163CC..Hα-helixtrans-62.4-44179.3-74.6-56.2-62.400113F972 Q973 V1265 A1266 I1267 N1271 F1272F972-M1269 HydrophobicContact CB-CG 4.32Å; Q973-M1269 HydrophobicContact CB-CE 4.24Å; Q973-M1269 HydrophobicContact CB-SD 4.37Å; Q973-M1269 HydrophobicContact CG-CE 3.66Å; Q973-M1269 HydrophobicContact CG-SD 3.31Å; Q973-M1269 WeakPolarHBondContact CG-SD 3.24Å; V1265-M1269 HydrophobicContact CG1-CG 4.37Å; V1265-M1269 WeakPolarHBondContact O-CB 3.38Å; V1265-M1269 VanDerWaalsContact O-CG 3.27Å; V1265-M1269 WeakPolarHBondContact O-CG 3.32Å; V1265-M1269 PolarHBondContact O-N 3.33Å; A1266-M1269 PolarHBondContact O-N 2.83Å; I1267-M1269 VanDerWaalsContact C-N 3.33Å; M1269-N1271 VanDerWaalsContact C-N 3.32Å; M1269-N1271 PolarHBondContact O-N 3.45Å; M1269-F1272 VanDerWaalsContact O-CB 3.3Å; M1269-F1272 WeakPolarHBondContact O-CB 3.34Å; M1269-F1272 PolarHBondContact O-N 2.85Å
1270D74.6Confident75.2Confident77 Ų7737.8 Ų37.841%0.41219%0.192SC..Hα-helixtrans-64.6-36.7176.6-79-15.4000112A1149 A1266A1149-D1270 WeakPolarHBondContact CB-OD2 3.38Å; A1266-D1270 PolarHBondContact O-N 2.99Å
1271N72.6Confident74.9Confident15 Ų1540.3 Ų40.38%0.0821%0.205CC..Hα-helixtrans-87.5-9.6177.1-69.6-63.8000114T1142 S1146 I1267 I1268 M1269 D1273 Y1274 L1275T1142-N1271 PolarHBondContact O-OD1 3.1Å; S1146-N1271 WeakPolarHBondContact CB-ND2 3.35Å; S1146-N1271 PolarHBondContact OG-ND2 3.32Å; S1146-N1271 PolarHBondContact OG-OD1 3.07Å; I1267-N1271 PolarHBondContact O-N 3.08Å; I1267-N1271 VanDerWaalsContact O-N 3.12Å; I1267-N1271 PolarHBondContact O-ND2 2.99Å; I1268-N1271 CarbonylContact O-C 3.54Å; I1268-N1271 PolarHBondContact O-N 3.12Å; M1269-N1271 VanDerWaalsContact C-N 3.32Å; M1269-N1271 PolarHBondContact O-N 3.45Å; N1271-D1273 PolarHBondContact O-N 3.34Å; N1271-Y1274 WeakPolarHBondContact O-CB 3.37Å; N1271-Y1274 PolarHBondContact O-N 3.49Å; N1271-L1275 HydrophobicContact CB-CD1 3.76Å; N1271-L1275 HydrophobicContact CB-CG 4.27Å; N1271-L1275 WeakPolarHBondContact O-CG 3.47Å; N1271-L1275 PolarHBondContact O-N 3.47Å
1272F70Confident74.9Confident33 Ų3339.7 Ų39.715%0.14520%0.202CC..Hα-helixtrans-56.6-36.3-170.1-166.6-107.7000110.7I1268 M1269 Y1274 L1275 T1276I1268-F1272 HydrophobicContact CG2-CD2 4.37Å; I1268-F1272 VanDerWaalsContact O-CA 3.26Å; I1268-F1272 WeakPolarHBondContact O-CA 3.4Å; I1268-F1272 VanDerWaalsContact O-CB 3.27Å; I1268-F1272 WeakPolarHBondContact O-CB 3.23Å; I1268-F1272 PolarHBondContact O-N 2.86Å; M1269-F1272 VanDerWaalsContact O-CB 3.3Å; M1269-F1272 WeakPolarHBondContact O-CB 3.34Å; M1269-F1272 PolarHBondContact O-N 2.85Å; F1272-Y1274 PolarHBondContact O-N 3.15Å; F1272-L1275 PolarHBondContact O-N 2.88Å; F1272-T1276 HydrophobicContact CD1-CG2 3.8Å; F1272-T1276 HydrophobicContact CD2-CG2 4.02Å; F1272-T1276 HydrophobicContact CE1-CG2 3.5Å; F1272-T1276 VanDerWaalsContact CE1-CG2 3.5Å; F1272-T1276 HydrophobicContact CE2-CG2 3.71Å; F1272-T1276 HydrophobicContact CG-CG2 4.06Å; F1272-T1276 HydrophobicContact CZ-CG2 3.45Å; F1272-T1276 VanDerWaalsContact CZ-CG2 3.45Å; F1272-T1276 WeakPolarHBondContact O-CB 3.37Å; F1272-T1276 WeakPolarHBondContact O-CG2 3.48Å; F1272-T1276 PolarHBondContact O-N 3.14Å; F1272-T1276 PolarHBondContact O-OG1 3.16Å
1273D70.8Confident74.9Confident43 Ų4339.5 Ų39.523%0.2320%0.202CC..Hα-helixtrans-63.4-32.3175.6-82-24.7000115.9K987 K991 N1271 R1277K987-D1273 WeakPolarHBondContact CE-OD1 3.21Å; K987-D1273 VanDerWaalsContact CE-OD2 3.23Å; K987-D1273 WeakPolarHBondContact CE-OD2 3.36Å; K987-D1273 VanDerWaalsContact NZ-CG 3.32Å; K987-D1273 IonicContact NZ-OD1 2.7Å; K987-D1273 PolarHBondContact NZ-OD1 2.85Å; K987-D1273 IonicContact NZ-OD2 3.77Å; K987-D1273 PolarHBondContact NZ-OD2 3.35Å; K991-D1273 WeakPolarHBondContact CE-OD2 3.41Å; K991-D1273 IonicContact NZ-OD1 2.58Å; K991-D1273 PolarHBondContact NZ-OD1 3.13Å; K991-D1273 IonicContact NZ-OD2 3.03Å; K991-D1273 PolarHBondContact NZ-OD2 3.22Å; N1271-D1273 PolarHBondContact O-N 3.34Å; D1273-R1277 WeakPolarHBondContact O-CB 3.04Å
1274Y73.2Confident74.7Confident59 Ų5940 Ų4023%0.23121%0.207CC..Hα-helixtrans-81.1-40174.6177.7-97.4000110.4T1138 T1142 N1271 F1272 R1277 W1279T1138-Y1274 HydrophobicContact CG2-CE2 3.86Å; T1138-Y1274 WeakPolarHBondContact CG2-OH 3.26Å; T1142-Y1274 HydrophobicContact CG2-CD1 4.38Å; T1142-Y1274 HydrophobicContact CG2-CD2 4.05Å; T1142-Y1274 HydrophobicContact CG2-CE2 4.22Å; T1142-Y1274 HydrophobicContact CG2-CG 4.13Å; N1271-Y1274 WeakPolarHBondContact O-CB 3.37Å; N1271-Y1274 PolarHBondContact O-N 3.49Å; F1272-Y1274 PolarHBondContact O-N 3.15Å; Y1274-R1277 WeakPolarHBondContact O-CB 3.39Å; Y1274-R1277 PolarHBondContact O-N 3.21Å; Y1274-W1279 AromaticContact CE2-CH2 3.71Å; Y1274-W1279 HydrophobicContact CE2-CH2 3.71Å; Y1274-W1279 HydrophobicContact CE2-CZ2 4.07Å; Y1274-W1279 AromaticContact CZ-CH2 3.9Å; Y1274-W1279 AromaticContact CZ-CZ2 3.93Å
1275L71.6Confident74.6Confident26 Ų2641 Ų4114%0.13621%0.211CC..Hα-helixtrans-72.3-42.4-174.8-65.7165.9000113G258 V259 K266 N1271 F1272 R1277G258-L1275 WeakPolarHBondContact O-CD1 3.45Å; V259-L1275 HydrophobicContact CG2-CD2 3.83Å; K266-L1275 VanDerWaalsContact CE-O 3.3Å; K266-L1275 WeakPolarHBondContact CE-O 3.49Å; K266-L1275 PolarHBondContact NZ-O 3.32Å; N1271-L1275 HydrophobicContact CB-CD1 3.76Å; N1271-L1275 HydrophobicContact CB-CG 4.27Å; N1271-L1275 WeakPolarHBondContact O-CG 3.47Å; N1271-L1275 PolarHBondContact O-N 3.47Å; F1272-L1275 PolarHBondContact O-N 2.88Å; L1275-R1277 VanDerWaalsContact C-N 3.27Å; L1275-R1277 PolarHBondContact O-N 3.02Å
1276T71Confident75.1Confident38 Ų3841.4 Ų41.423%0.23321%0.213CC..SBendtrans-80-7.5177.257.30000113.4K266 F1272 D1278K266-T1276 VanDerWaalsContact CE-C 3.47Å; K266-T1276 VanDerWaalsContact CE-O 3.29Å; K266-T1276 WeakPolarHBondContact CE-O 3.47Å; F1272-T1276 HydrophobicContact CD1-CG2 3.8Å; F1272-T1276 HydrophobicContact CD2-CG2 4.02Å; F1272-T1276 HydrophobicContact CE1-CG2 3.5Å; F1272-T1276 VanDerWaalsContact CE1-CG2 3.5Å; F1272-T1276 HydrophobicContact CE2-CG2 3.71Å; F1272-T1276 HydrophobicContact CG-CG2 4.06Å; F1272-T1276 HydrophobicContact CZ-CG2 3.45Å; F1272-T1276 VanDerWaalsContact CZ-CG2 3.45Å; F1272-T1276 WeakPolarHBondContact O-CB 3.37Å; F1272-T1276 WeakPolarHBondContact O-CG2 3.48Å; F1272-T1276 PolarHBondContact O-N 3.14Å; F1272-T1276 PolarHBondContact O-OG1 3.16Å; T1276-D1278 PolarHBondContact O-N 3.37Å
1277R73Confident75.6Confident40 Ų4040.9 Ų40.915%0.15121%0.209CC..  trans-65.2123.7-175.4-167.6166.267164.90.2111.2D1273 Y1274 L1275 W1279 H1285D1273-R1277 WeakPolarHBondContact O-CB 3.04Å; Y1274-R1277 WeakPolarHBondContact O-CB 3.39Å; Y1274-R1277 PolarHBondContact O-N 3.21Å; L1275-R1277 VanDerWaalsContact C-N 3.27Å; L1275-R1277 PolarHBondContact O-N 3.02Å; R1277-W1279 VanDerWaalsContact NH2-CH2 3.27Å; R1277-W1279 PolarHBondContact O-N 2.93Å; R1277-H1285 PolarHBondContact NH1-ND1 3.34Å; R1277-H1285 PolarHBondContact NH2-ND1 3.06Å
1278D68.4Low76Confident65 Ų6546.5 Ų46.535%0.34824%0.235SC..  trans-76109.5168.4-73.5-25000109.6T1276 S1280 I1281T1276-D1278 PolarHBondContact O-N 3.37Å; D1278-S1280 PolarHBondContact O-N 3.14Å; D1278-S1280 VanDerWaalsContact O-N 3.08Å; D1278-I1281 HydrophobicContact CB-CB 4.33Å; D1278-I1281 HydrophobicContact CB-CD1 3.86Å; D1278-I1281 HydrophobicContact CB-CG1 3.89Å; D1278-I1281 PolarHBondContact O-N 3.3Å
1279W74.5Confident76.5Confident125 Ų12547.3 Ų47.347%0.47324%0.238SC..THydrogen-bonded Turntrans-62-13.3176.9-59.599.3000113.5Y1274 R1277 H1285Y1274-W1279 AromaticContact CE2-CH2 3.71Å; Y1274-W1279 HydrophobicContact CE2-CH2 3.71Å; Y1274-W1279 HydrophobicContact CE2-CZ2 4.07Å; Y1274-W1279 AromaticContact CZ-CH2 3.9Å; Y1274-W1279 AromaticContact CZ-CZ2 3.93Å; R1277-W1279 VanDerWaalsContact NH2-CH2 3.27Å; R1277-W1279 PolarHBondContact O-N 2.93Å; W1279-H1285 AromaticContact CE3-CD2 3.89Å; W1279-H1285 AromaticContact CE3-CE1 3.83Å; W1279-H1285 AromaticContact CE3-NE2 3.65Å; W1279-H1285 HydrophobicContact CZ3-CB 4.39Å; W1279-H1285 AromaticContact CZ3-CG 3.97Å
1280S75.5Confident77.4Confident99 Ų9945.3 Ų45.369%0.69223%0.228SC*.THydrogen-bonded Turntrans-80.6-20.3172.654.50000113.7D1278D1278-S1280 PolarHBondContact O-N 3.14Å; D1278-S1280 VanDerWaalsContact O-N 3.08Å
1281I77.8Confident78.1Confident78 Ų7842.4 Ų42.440%0.421%0.213SC..SBendtrans-94.5145.1-179.2-59.3179.2000109.1D1278 G1283D1278-I1281 HydrophobicContact CB-CB 4.33Å; D1278-I1281 HydrophobicContact CB-CD1 3.86Å; D1278-I1281 HydrophobicContact CB-CG1 3.89Å; D1278-I1281 PolarHBondContact O-N 3.3Å; I1281-G1283 PolarHBondContact O-N 3.09Å; I1281-G1283 VanDerWaalsContact O-N 3.09Å
1282L80.3Confident78.9Confident13 Ų1348.5 Ų48.57%0.06824%0.235CC..  trans-58.3116.9177.4-178.473.9000111H1286 P1320 L1321 N1362 L1363L1282-H1286 HydrophobicContact CD1-CB 3.88Å; L1282-P1320 HydrophobicContact CB-CG 4.48Å; L1282-P1320 HydrophobicContact CD1-CG 4.43Å; L1282-L1321 HydrophobicContact CD1-CB 3.89Å; L1282-L1321 HydrophobicContact CD1-CD1 3.9Å; L1282-L1321 HydrophobicContact CD1-CG 4.41Å; L1282-N1362 HydrophobicContact CD2-CB 3.69Å; L1282-L1363 HydrophobicContact CB-CD2 4.21Å; L1282-L1363 HydrophobicContact CD2-CD1 4.47Å; L1282-L1363 HydrophobicContact CD2-CD2 4.14Å; L1282-L1363 HydrophobicContact CD2-CG 4Å
1283G78Confident79.8Confident4 Ų447.7 Ų47.74%0.04123%0.232CC..  trans-135-177.3173.300000113.7I1281 H1285 H1286I1281-G1283 PolarHBondContact O-N 3.09Å; I1281-G1283 VanDerWaalsContact O-N 3.09Å; G1283-H1285 PolarHBondContact O-N 3.04Å; G1283-H1285 VanDerWaalsContact O-N 3.08Å; G1283-H1286 PolarHBondContact O-N 3.05Å
1284P78.9Confident80.8Confident28 Ų2845.6 Ų45.618%0.18222%0.221CC..Hα-helixtrans-53.6-30-176.9-30.433.2000116.2F995 H1286 L1287 E1288F995-P1284 HydrophobicContact CD2-CB 4.05Å; F995-P1284 HydrophobicContact CG-CB 4.5Å; P1284-H1286 PolarHBondContact O-N 2.89Å; P1284-L1287 CarbonylContact O-C 3.58Å; P1284-L1287 WeakPolarHBondContact O-CA 3.35Å; P1284-L1287 WeakPolarHBondContact O-CB 3.32Å; P1284-L1287 PolarHBondContact O-N 3.37Å; P1284-E1288 PolarHBondContact O-N 3.2Å
1285H76.4Confident81.5Confident42 Ų4243.2 Ų43.219%0.19421%0.213CC..Hα-helixtrans-67.4-34.6-177.866.2-75.3000113.2R1277 W1279 G1283 L1287 E1288 E1289R1277-H1285 PolarHBondContact NH1-ND1 3.34Å; R1277-H1285 PolarHBondContact NH2-ND1 3.06Å; W1279-H1285 AromaticContact CE3-CD2 3.89Å; W1279-H1285 AromaticContact CE3-CE1 3.83Å; W1279-H1285 AromaticContact CE3-NE2 3.65Å; W1279-H1285 HydrophobicContact CZ3-CB 4.39Å; W1279-H1285 AromaticContact CZ3-CG 3.97Å; G1283-H1285 PolarHBondContact O-N 3.04Å; G1283-H1285 VanDerWaalsContact O-N 3.08Å; H1285-L1287 VanDerWaalsContact C-N 3.26Å; H1285-L1287 PolarHBondContact O-N 3.02Å; H1285-E1288 PolarHBondContact O-N 3.04Å; H1285-E1289 PolarHBondContact O-N 3.19Å
1286H85.4Confident82.3Confident15 Ų1546.2 Ų46.27%0.06923%0.226CC..Hα-helixtrans-68.1-30.9171.2-60.1-60.2000111.4L1282 G1283 P1284 E1289 F1290 P1320 L1321L1282-H1286 HydrophobicContact CD1-CB 3.88Å; G1283-H1286 PolarHBondContact O-N 3.05Å; P1284-H1286 PolarHBondContact O-N 2.89Å; H1286-E1289 WeakPolarHBondContact O-CB 3.48Å; H1286-E1289 PolarHBondContact O-N 3.49Å; H1286-F1290 PolarHBondContact O-N 2.8Å; H1286-F1290 VanDerWaalsContact O-N 3.16Å; H1286-P1320 WeakPolarHBondContact CE1-CD 3.32Å; H1286-P1320 VanDerWaalsContact NE2-CD 3.34Å; H1286-P1320 WeakPolarHBondContact NE2-CD 3.45Å; H1286-P1320 WeakPolarHBondContact NE2-CG 3.36Å; H1286-L1321 HydrophobicContact CB-CB 4.11Å; H1286-L1321 HydrophobicContact CB-CD2 4.28Å; H1286-L1321 VanDerWaalsContact O-CD2 3.25Å; H1286-L1321 WeakPolarHBondContact O-CD2 3.46Å
1287L88.1Confident83.2Confident0 Ų047 Ų470%023%0.227CC..Hα-helixtrans-71.7-33.3175.8-51.8178.4000111.2C992 F995 P1284 H1285 F1290 V1291 L1321 L1355 V1359C992-L1287 HydrophobicContact CB-CD1 4.34Å; F995-L1287 HydrophobicContact CB-CD1 4.1Å; F995-L1287 HydrophobicContact CD1-CB 3.5Å; F995-L1287 HydrophobicContact CD1-CD1 3.49Å; F995-L1287 VanDerWaalsContact CD1-CD1 3.49Å; F995-L1287 HydrophobicContact CD1-CG 4.14Å; F995-L1287 HydrophobicContact CE1-CB 3.26Å; F995-L1287 HydrophobicContact CE1-CD1 4.19Å; F995-L1287 HydrophobicContact CE1-CG 4.36Å; F995-L1287 HydrophobicContact CG-CB 4.38Å; F995-L1287 HydrophobicContact CG-CD1 3.97Å; F995-L1287 HydrophobicContact CZ-CB 3.96Å; P1284-L1287 CarbonylContact O-C 3.58Å; P1284-L1287 WeakPolarHBondContact O-CA 3.35Å; P1284-L1287 WeakPolarHBondContact O-CB 3.32Å; P1284-L1287 PolarHBondContact O-N 3.37Å; H1285-L1287 VanDerWaalsContact C-N 3.26Å; H1285-L1287 PolarHBondContact O-N 3.02Å; L1287-F1290 VanDerWaalsContact O-CB 3.32Å; L1287-F1290 WeakPolarHBondContact O-CB 3.39Å; L1287-F1290 PolarHBondContact O-N 3.33Å; L1287-V1291 VanDerWaalsContact O-CG2 3.32Å; L1287-V1291 WeakPolarHBondContact O-CG2 3.39Å; L1287-V1291 PolarHBondContact O-N 3.3Å; L1287-L1321 HydrophobicContact CD2-CD1 4.15Å; L1287-L1321 HydrophobicContact CD2-CD2 4.09Å; L1287-L1355 HydrophobicContact CB-CD1 4.45Å; L1287-L1355 HydrophobicContact CD2-CD1 3.84Å; L1287-V1359 HydrophobicContact CD1-CG2 4.06Å; L1287-V1359 HydrophobicContact CD2-CG2 3.68Å
1288E86.3Confident84Confident119 Ų11945.5 Ų45.556%0.55622%0.222SC*.Hα-helixtrans-63.3-39.8170.6-70.2175.7-170.700112.1F995 P1284 H1285 F1290 V1291 R1292F995-E1288 HydrophobicContact CE2-CG 3.84Å; F995-E1288 HydrophobicContact CZ-CG 3.75Å; P1284-E1288 PolarHBondContact O-N 3.2Å; H1285-E1288 PolarHBondContact O-N 3.04Å; E1288-F1290 VanDerWaalsContact C-N 3.28Å; E1288-F1290 PolarHBondContact O-N 3.2Å; E1288-V1291 PolarHBondContact O-N 3.28Å; E1288-R1292 PolarHBondContact O-N 3.13Å
1289E87Confident84.8Confident32 Ų3244.7 Ų44.715%0.1522%0.22CC..Hα-helixtrans-58.4-42.3172.2-170.4-169.4167.800111.1H1285 H1286 R1292 L1293 T1318H1285-E1289 PolarHBondContact O-N 3.19Å; H1286-E1289 WeakPolarHBondContact O-CB 3.48Å; H1286-E1289 PolarHBondContact O-N 3.49Å; E1289-R1292 PolarHBondContact O-N 2.96Å; E1289-L1293 HydrophobicContact CG-CD1 4.06Å; E1289-L1293 WeakPolarHBondContact O-CB 3.38Å; E1289-L1293 WeakPolarHBondContact O-CG 3.18Å; E1289-L1293 PolarHBondContact O-N 3.02Å; E1289-T1318 PolarHBondContact OE1-N 3.03Å; E1289-T1318 PolarHBondContact OE1-OG1 3.35Å; E1289-T1318 PolarHBondContact OE2-OG1 2.99Å
1290F91.4Very high85.2Confident1 Ų142.8 Ų42.80%0.00422%0.219CC..Hα-helixtrans-59.9-47173.3172-84.7000112.1H1286 L1287 E1288 R1292 L1293 W1294 L1313 I1317 L1321 F1351 T1354 L1355 L1358H1286-F1290 PolarHBondContact O-N 2.8Å; H1286-F1290 VanDerWaalsContact O-N 3.16Å; L1287-F1290 VanDerWaalsContact O-CB 3.32Å; L1287-F1290 WeakPolarHBondContact O-CB 3.39Å; L1287-F1290 PolarHBondContact O-N 3.33Å; E1288-F1290 VanDerWaalsContact C-N 3.28Å; E1288-F1290 PolarHBondContact O-N 3.2Å; F1290-R1292 VanDerWaalsContact C-N 3.3Å; F1290-R1292 PolarHBondContact O-N 3.36Å; F1290-L1293 PolarHBondContact O-N 2.83Å; F1290-W1294 AromaticContact CE1-CE3 3.97Å; F1290-W1294 HydrophobicContact CE1-CE3 3.97Å; F1290-W1294 HydrophobicContact CE2-CE3 4.19Å; F1290-W1294 HydrophobicContact CZ-CD2 4.46Å; F1290-W1294 AromaticContact CZ-CE3 3.47Å; F1290-W1294 HydrophobicContact CZ-CE3 3.47Å; F1290-W1294 VanDerWaalsContact CZ-CE3 3.47Å; F1290-W1294 AromaticContact CZ-CZ3 3.79Å; F1290-W1294 HydrophobicContact CZ-CZ3 3.79Å; F1290-W1294 VanDerWaalsContact O-CB 3.3Å; F1290-W1294 WeakPolarHBondContact O-CB 3.47Å; F1290-W1294 PolarHBondContact O-N 2.85Å; F1290-L1313 HydrophobicContact CD2-CD2 4.36Å; F1290-L1313 HydrophobicContact CE2-CD2 3.73Å; F1290-L1313 HydrophobicContact CZ-CD2 4.31Å; F1290-I1317 HydrophobicContact CD2-CD1 3.64Å; F1290-I1317 HydrophobicContact CE2-CD1 4.4Å; F1290-L1321 HydrophobicContact CB-CD2 3.86Å; F1290-F1351 HydrophobicContact CD1-CE2 4.11Å; F1290-F1351 AromaticContact CE1-CD2 3.92Å; F1290-F1351 HydrophobicContact CE1-CD2 3.92Å; F1290-F1351 AromaticContact CE1-CE2 3.57Å; F1290-F1351 HydrophobicContact CE1-CE2 3.57Å; F1290-F1351 HydrophobicContact CE1-CZ 4.32Å; F1290-T1354 WeakPolarHBondContact CZ-OG1 3.5Å; F1290-L1355 HydrophobicContact CD1-CD1 3.61Å; F1290-L1355 HydrophobicContact CE1-CB 4.15Å; F1290-L1355 HydrophobicContact CE1-CD1 3.85Å; F1290-L1355 HydrophobicContact CE1-CG 4.43Å; F1290-L1355 HydrophobicContact CG-CD1 4.07Å; F1290-L1358 HydrophobicContact CD2-CD1 3.86Å; F1290-L1358 HydrophobicContact CE2-CD1 3.6Å; F1290-L1358 HydrophobicContact CZ-CD1 4.42Å
1291V90.7Very high85.7Confident16 Ų1639.4 Ų39.410%0.09720%0.197CC..Hα-helixtrans-59.8-42.7177.9-177.90000111.1F995 Q1002 L1287 E1288 W1294 S1295 F1351F995-V1291 HydrophobicContact CE1-CG2 4.24Å; F995-V1291 HydrophobicContact CZ-CG2 4.31Å; Q1002-V1291 HydrophobicContact CB-CG1 4.08Å; L1287-V1291 VanDerWaalsContact O-CG2 3.32Å; L1287-V1291 WeakPolarHBondContact O-CG2 3.39Å; L1287-V1291 PolarHBondContact O-N 3.3Å; E1288-V1291 PolarHBondContact O-N 3.28Å; V1291-W1294 PolarHBondContact O-N 3.38Å; V1291-S1295 PolarHBondContact O-N 3.26Å; V1291-F1351 HydrophobicContact CG1-CZ 4.49Å; V1291-F1351 HydrophobicContact CG2-CE2 4.38Å; V1291-F1351 HydrophobicContact CG2-CZ 3.89Å
1292R87.9Confident86.2Confident143 Ų14344.7 Ų44.754%0.5421%0.212SC..Hα-helixtrans-63.2-48.8177.6-176-174.964.1143.7-0.3111.5E1288 E1289 F1290 W1294 S1295E1288-R1292 PolarHBondContact O-N 3.13Å; E1289-R1292 PolarHBondContact O-N 2.96Å; F1290-R1292 VanDerWaalsContact C-N 3.3Å; F1290-R1292 PolarHBondContact O-N 3.36Å; R1292-W1294 VanDerWaalsContact C-N 3.33Å; R1292-W1294 PolarHBondContact O-N 3.18Å; R1292-S1295 WeakPolarHBondContact O-CB 3.47Å; R1292-S1295 PolarHBondContact O-N 3.19Å; R1292-S1295 PolarHBondContact O-OG 3.05Å
1293L89.7Confident86.5Confident15 Ų1544.8 Ų44.88%0.07922%0.216CC..Hα-helixtrans-67.4-34.1179.9-71.9172.5000112.1E1289 F1290 S1295 E1296 F1297 L1313 K1316 I1317E1289-L1293 HydrophobicContact CG-CD1 4.06Å; E1289-L1293 WeakPolarHBondContact O-CB 3.38Å; E1289-L1293 WeakPolarHBondContact O-CG 3.18Å; E1289-L1293 PolarHBondContact O-N 3.02Å; F1290-L1293 PolarHBondContact O-N 2.83Å; L1293-S1295 VanDerWaalsContact C-N 3.26Å; L1293-S1295 PolarHBondContact O-N 2.91Å; L1293-E1296 WeakPolarHBondContact O-CB 3.3Å; L1293-E1296 PolarHBondContact O-N 3.16Å; L1293-E1296 VanDerWaalsContact O-N 3.14Å; L1293-F1297 WeakPolarHBondContact O-CD2 3.32Å; L1293-L1313 HydrophobicContact CB-CD1 3.75Å; L1293-K1316 HydrophobicContact CD1-CB 4.38Å; L1293-I1317 HydrophobicContact CD1-CB 4.28Å; L1293-I1317 HydrophobicContact CD1-CG1 3.52Å
1294W92.3Very high87Confident0 Ų050 Ų500%023%0.234CC..Hα-helixtrans-57.5-39172.5-173.4-82000112F1290 V1291 R1292 E1296 F1297 D1298 I1305 L1313 F1351 T1354F1290-W1294 AromaticContact CE1-CE3 3.97Å; F1290-W1294 HydrophobicContact CE1-CE3 3.97Å; F1290-W1294 HydrophobicContact CE2-CE3 4.19Å; F1290-W1294 HydrophobicContact CZ-CD2 4.46Å; F1290-W1294 AromaticContact CZ-CE3 3.47Å; F1290-W1294 HydrophobicContact CZ-CE3 3.47Å; F1290-W1294 VanDerWaalsContact CZ-CE3 3.47Å; F1290-W1294 AromaticContact CZ-CZ3 3.79Å; F1290-W1294 HydrophobicContact CZ-CZ3 3.79Å; F1290-W1294 VanDerWaalsContact O-CB 3.3Å; F1290-W1294 WeakPolarHBondContact O-CB 3.47Å; F1290-W1294 PolarHBondContact O-N 2.85Å; V1291-W1294 PolarHBondContact O-N 3.38Å; R1292-W1294 VanDerWaalsContact C-N 3.33Å; R1292-W1294 PolarHBondContact O-N 3.18Å; W1294-E1296 PolarHBondContact O-N 3.2Å; W1294-E1296 VanDerWaalsContact O-N 3.15Å; W1294-F1297 PolarHBondContact O-N 2.86Å; W1294-D1298 PolarHBondContact NE1-OD2 2.95Å; W1294-D1298 PolarHBondContact O-N 3.27Å; W1294-I1305 HydrophobicContact CD2-CG2 4.21Å; W1294-I1305 HydrophobicContact CE3-CD1 3.89Å; W1294-I1305 HydrophobicContact CH2-CB 4.24Å; W1294-I1305 HydrophobicContact CH2-CD1 3.66Å; W1294-I1305 HydrophobicContact CH2-CG1 3.47Å; W1294-I1305 VanDerWaalsContact CH2-CG1 3.47Å; W1294-I1305 HydrophobicContact CH2-CG2 4.02Å; W1294-I1305 HydrophobicContact CZ2-CB 4.22Å; W1294-I1305 HydrophobicContact CZ2-CD1 4.32Å; W1294-I1305 HydrophobicContact CZ2-CG1 3.96Å; W1294-I1305 HydrophobicContact CZ2-CG2 3.59Å; W1294-I1305 HydrophobicContact CZ3-CD1 3.39Å; W1294-I1305 HydrophobicContact CZ3-CG1 3.8Å; W1294-I1305 HydrophobicContact CZ3-CG2 4.47Å; W1294-L1313 HydrophobicContact CE3-CD2 3.68Å; W1294-L1313 HydrophobicContact CZ3-CD2 4.1Å; W1294-F1351 HydrophobicContact CB-CE2 4.34Å; W1294-F1351 AromaticContact CD1-CD2 3.9Å; W1294-F1351 AromaticContact CD2-CD2 3.59Å; W1294-F1351 HydrophobicContact CD2-CD2 3.59Å; W1294-F1351 HydrophobicContact CD2-CE2 4.24Å; W1294-F1351 AromaticContact CE2-CD2 3.61Å; W1294-F1351 HydrophobicContact CE3-CD2 4.07Å; W1294-F1351 AromaticContact CG-CD2 3.78Å; W1294-F1351 HydrophobicContact CG-CD2 3.78Å; W1294-F1351 HydrophobicContact CG-CE2 4.04Å; W1294-F1351 HydrophobicContact CH2-CB 4.16Å; W1294-F1351 HydrophobicContact CH2-CD2 4.5Å; W1294-F1351 HydrophobicContact CZ2-CB 3.7Å; W1294-F1351 HydrophobicContact CZ2-CD2 4.09Å; W1294-F1351 HydrophobicContact CZ2-CG 4.42Å; W1294-F1351 HydrophobicContact CZ3-CD2 4.5Å; W1294-F1351 AromaticContact NE1-CD2 3.83Å; W1294-T1354 HydrophobicContact CH2-CG2 4.25Å; W1294-T1354 HydrophobicContact CZ3-CG2 4.12Å; W1294-T1354 WeakPolarHBondContact CZ3-OG1 2.97Å
1295S88.5Confident87.5Confident9 Ų949 Ų496%0.06323%0.228CC..Hα-helixtrans-64.1-16.8178.980.40000114.5Q1002 V1291 R1292 L1293Q1002-S1295 WeakPolarHBondContact O-CB 3.24Å; V1291-S1295 PolarHBondContact O-N 3.26Å; R1292-S1295 WeakPolarHBondContact O-CB 3.47Å; R1292-S1295 PolarHBondContact O-N 3.19Å; R1292-S1295 PolarHBondContact O-OG 3.05Å; L1293-S1295 VanDerWaalsContact C-N 3.26Å; L1293-S1295 PolarHBondContact O-N 2.91Å
1296E88Confident88.1Confident89 Ų8953.4 Ų53.442%0.41625%0.246SC..Hα-helixtrans-72.6-34.5172.2-56.8-162.9150.200112.1R1004 L1293 W1294 K1316R1004-E1296 IonicContact NH1-OE1 2.84Å; L1293-E1296 WeakPolarHBondContact O-CB 3.3Å; L1293-E1296 PolarHBondContact O-N 3.16Å; L1293-E1296 VanDerWaalsContact O-N 3.14Å; W1294-E1296 PolarHBondContact O-N 3.2Å; W1294-E1296 VanDerWaalsContact O-N 3.15Å; E1296-K1316 IonicContact OE2-NZ 2.99Å; E1296-K1316 PolarHBondContact OE2-NZ 3.02Å
1297F89.3Confident88Confident55 Ų5554.3 Ų54.324%0.24125%0.25CS..Hα-helixtrans-90.5-29-179.4-62.9-84.3000112L1293 W1294 I1305 D1309 I1312 L1313 K1316L1293-F1297 WeakPolarHBondContact O-CD2 3.32Å; W1294-F1297 PolarHBondContact O-N 2.86Å; F1297-I1305 HydrophobicContact CB-CG2 4.06Å; F1297-D1309 HydrophobicContact CD1-CB 3.92Å; F1297-D1309 HydrophobicContact CE1-CB 4.23Å; F1297-I1312 HydrophobicContact CE1-CG2 4.3Å; F1297-I1312 HydrophobicContact CZ-CB 4.39Å; F1297-I1312 HydrophobicContact CZ-CG2 3.99Å; F1297-L1313 HydrophobicContact CD2-CB 4.5Å; F1297-L1313 HydrophobicContact CD2-CD1 3.86Å; F1297-L1313 HydrophobicContact CE2-CB 4.02Å; F1297-L1313 HydrophobicContact CE2-CD1 3.66Å; F1297-L1313 HydrophobicContact CE2-CG 4.46Å; F1297-L1313 HydrophobicContact CZ-CB 4.46Å; F1297-K1316 HydrophobicContact CE2-CD 4.3Å; F1297-K1316 HydrophobicContact CZ-CD 4.19Å
1298D89.9Confident87.8Confident8 Ų858.2 Ų58.24%0.04327%0.271CS..  trans-124.774.5178.6-175.716.2000111.7W1294 D1300 A1301 R1302 G1303 I1305W1294-D1298 PolarHBondContact NE1-OD2 2.95Å; W1294-D1298 PolarHBondContact O-N 3.27Å; D1298-D1300 PolarHBondContact O-N 3.23Å; D1298-A1301 PolarHBondContact O-N 3.17Å; D1298-A1301 PolarHBondContact OD1-N 3.18Å; D1298-R1302 VanDerWaalsContact CG-N 3.31Å; D1298-R1302 PolarHBondContact OD1-N 2.74Å; D1298-R1302 PolarHBondContact OD2-N 2.68Å; D1298-G1303 PolarHBondContact OD2-N 2.99Å; D1298-I1305 HydrophobicContact CB-CG2 4.13Å
1299P84.1Confident87.8Confident47 Ų4754.9 Ų54.931%0.30526%0.257SS..THydrogen-bonded Turntrans-66.5-25.4-175.426.6-35.3000113.5R1004 V1006 A1301R1004-P1299 PolarHBondContact N-O 3.02Å; R1004-P1299 VanDerWaalsContact N-O 3.09Å; V1006-P1299 HydrophobicContact CG2-CB 4.44Å; P1299-A1301 VanDerWaalsContact C-N 3.33Å
1300D84.3Confident87.8Confident86 Ų8653.6 Ų53.646%0.4625%0.251SS..THydrogen-bonded Turntrans-83.9-6.4179.7-74.3-24.1000112.9D1298 R1302D1298-D1300 PolarHBondContact O-N 3.23Å; D1300-R1302 HydrophobicContact CB-CG 3.97Å; D1300-R1302 IonicContact OD2-CZ 3.94Å; D1300-R1302 IonicContact OD2-NE 2.96Å; D1300-R1302 PolarHBondContact OD2-NE 3.39Å; D1300-R1302 IonicContact OD2-NH2 3.95Å; D1300-R1302 PolarHBondContact OD2-NH2 2.76Å
1301A86.3Confident87.4Confident28 Ų2854.4 Ų54.423%0.23126%0.255CS..  trans56.845.2-17500000114P1001 R1003 D1298 P1299 G1303P1001-A1301 HydrophobicContact CB-CB 4Å; P1001-A1301 HydrophobicContact CG-CB 4.16Å; R1003-A1301 HydrophobicContact CB-CB 4.03Å; D1298-A1301 PolarHBondContact O-N 3.17Å; D1298-A1301 PolarHBondContact OD1-N 3.18Å; P1299-A1301 VanDerWaalsContact C-N 3.33Å; A1301-G1303 VanDerWaalsContact C-N 3.26Å; A1301-G1303 PolarHBondContact O-N 3.03Å
1302R87Confident87.1Confident189 Ų18957.7 Ų57.771%0.71327%0.272SS*.  trans-71.1-21177.1-60.8-177.2-173.4-171.13.2113.1D1298 D1300D1298-R1302 VanDerWaalsContact CG-N 3.31Å; D1298-R1302 PolarHBondContact OD1-N 2.74Å; D1298-R1302 PolarHBondContact OD2-N 2.68Å; D1300-R1302 HydrophobicContact CB-CG 3.97Å; D1300-R1302 IonicContact OD2-CZ 3.94Å; D1300-R1302 IonicContact OD2-NE 2.96Å; D1300-R1302 PolarHBondContact OD2-NE 3.39Å; D1300-R1302 IonicContact OD2-NH2 3.95Å; D1300-R1302 PolarHBondContact OD2-NH2 2.76Å
1303G86.6Confident87.1Confident15 Ų1551 Ų5116%0.15525%0.246CC..SBendtrans83.712.9-179.700000114.4D1298 A1301 F1351D1298-G1303 PolarHBondContact OD2-N 2.99Å; A1301-G1303 VanDerWaalsContact C-N 3.26Å; A1301-G1303 PolarHBondContact O-N 3.03Å; G1303-F1351 WeakPolarHBondContact O-CB 2.98Å; G1303-F1351 PolarHBondContact O-N 3.05Å
1304R88.8Confident86.9Confident112 Ų11250.4 Ų50.442%0.42324%0.243SC..EExtended strand (participates in β ladder)trans-141.2137.8-179.6-61.9-174.6-175.6175.71.2111.5D1346 T1348 V1349R1304-D1346 IonicContact NH1-OD2 4Å; R1304-T1348 WeakPolarHBondContact CD-OG1 3.44Å; R1304-V1349 WeakPolarHBondContact CA-O 3.22Å
1305I90.2Very high86.7Confident8 Ų854.4 Ų54.44%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-125.9159.3172.565.9176.8000110.8W1294 F1297 D1298 V1310 L1313 T1348 V1349W1294-I1305 HydrophobicContact CD2-CG2 4.21Å; W1294-I1305 HydrophobicContact CE3-CD1 3.89Å; W1294-I1305 HydrophobicContact CH2-CB 4.24Å; W1294-I1305 HydrophobicContact CH2-CD1 3.66Å; W1294-I1305 HydrophobicContact CH2-CG1 3.47Å; W1294-I1305 VanDerWaalsContact CH2-CG1 3.47Å; W1294-I1305 HydrophobicContact CH2-CG2 4.02Å; W1294-I1305 HydrophobicContact CZ2-CB 4.22Å; W1294-I1305 HydrophobicContact CZ2-CD1 4.32Å; W1294-I1305 HydrophobicContact CZ2-CG1 3.96Å; W1294-I1305 HydrophobicContact CZ2-CG2 3.59Å; W1294-I1305 HydrophobicContact CZ3-CD1 3.39Å; W1294-I1305 HydrophobicContact CZ3-CG1 3.8Å; W1294-I1305 HydrophobicContact CZ3-CG2 4.47Å; F1297-I1305 HydrophobicContact CB-CG2 4.06Å; D1298-I1305 HydrophobicContact CB-CG2 4.13Å; I1305-V1310 HydrophobicContact CD1-CG2 3.75Å; I1305-V1310 HydrophobicContact CG1-CG2 4.01Å; I1305-L1313 HydrophobicContact CD1-CD2 4.07Å; I1305-T1348 CarbonylContact O-C 3.57Å; I1305-T1348 WeakPolarHBondContact O-CA 3.1Å; I1305-T1348 WeakPolarHBondContact O-CB 3.42Å; I1305-V1349 PolarHBondContact N-O 3.04Å; I1305-V1349 PolarHBondContact O-N 3.04Å
1306K88.4Confident86.5Confident135 Ų13558.4 Ų58.459%0.58728%0.275SS*.EExtended strand (participates in β ladder)trans-68.5142.7174.3-65.2179.9178.9179.80110L1308 D1309K1306-L1308 PolarHBondContact O-N 3.43Å; K1306-L1308 VanDerWaalsContact O-N 3.09Å; K1306-D1309 PolarHBondContact O-N 3.18Å
1307H83Confident86.5Confident34 Ų3454.1 Ų54.116%0.15726%0.255CS..Hα-helixtrans-56-29.3-179.367.2-82.3000114.2D1309 V1310 L1343 G1347 V1349 F1412 Y1413H1307-D1309 VanDerWaalsContact C-N 3.34Å; H1307-V1310 WeakPolarHBondContact O-CB 3.17Å; H1307-V1310 PolarHBondContact O-N 3.23Å; H1307-L1343 HydrophobicContact CB-CD1 3.93Å; H1307-G1347 PolarHBondContact N-O 3.25Å; H1307-G1347 PolarHBondContact ND1-O 2.03Å; H1307-V1349 HydrophobicContact CB-CG2 4.12Å; H1307-F1412 AromaticContact CD2-CE1 3.95Å; H1307-F1412 AromaticContact NE2-CE1 3.91Å; H1307-F1412 AromaticContact NE2-CZ 3.86Å; H1307-Y1413 PolarHBondContact O-OH 3.08Å
1308L83.1Confident86.2Confident81 Ų8154.6 Ų54.642%0.42426%0.262SS..Hα-helixtrans-65.4-35.5177-66.6165.9000112.8K1306 V1310K1306-L1308 PolarHBondContact O-N 3.43Å; K1306-L1308 VanDerWaalsContact O-N 3.09Å; L1308-V1310 VanDerWaalsContact C-N 3.29Å; L1308-V1310 PolarHBondContact O-N 3.06Å
1309D87.5Confident85.9Confident50 Ų5058.2 Ų58.227%0.26729%0.286SS..Hα-helixtrans-76.3-21.6-176.8-60.9-33.7000111.4F1297 K1306 H1307 L1311 I1312 L1313F1297-D1309 HydrophobicContact CD1-CB 3.92Å; F1297-D1309 HydrophobicContact CE1-CB 4.23Å; K1306-D1309 PolarHBondContact O-N 3.18Å; H1307-D1309 VanDerWaalsContact C-N 3.34Å; D1309-L1311 VanDerWaalsContact C-N 3.33Å; D1309-L1311 PolarHBondContact O-N 2.92Å; D1309-I1312 PolarHBondContact O-N 3.14Å; D1309-L1313 WeakPolarHBondContact O-CB 3.35Å; D1309-L1313 PolarHBondContact O-N 3.4Å
1310V85.7Confident85.8Confident5 Ų558.3 Ų58.33%0.0329%0.287CS..Hα-helixtrans-59.7-42.1177.4-176.10000111.1I1305 H1307 L1308 I1312 L1313 L1314 L1336 M1341 V1349I1305-V1310 HydrophobicContact CD1-CG2 3.75Å; I1305-V1310 HydrophobicContact CG1-CG2 4.01Å; H1307-V1310 WeakPolarHBondContact O-CB 3.17Å; H1307-V1310 PolarHBondContact O-N 3.23Å; L1308-V1310 VanDerWaalsContact C-N 3.29Å; L1308-V1310 PolarHBondContact O-N 3.06Å; V1310-I1312 VanDerWaalsContact C-N 3.31Å; V1310-I1312 PolarHBondContact O-N 3.34Å; V1310-L1313 WeakPolarHBondContact O-CB 3.43Å; V1310-L1313 PolarHBondContact O-N 2.86Å; V1310-L1314 HydrophobicContact CG1-CD1 4.42Å; V1310-L1314 HydrophobicContact CG1-CG 4.48Å; V1310-L1314 WeakPolarHBondContact O-CG 3.2Å; V1310-L1314 PolarHBondContact O-N 3.44Å; V1310-L1336 HydrophobicContact CG1-CD2 3.88Å; V1310-M1341 HydrophobicContact CG1-CE 4.42Å; V1310-V1349 HydrophobicContact CG2-CG2 4.34Å
1311L83.2Confident85.8Confident17 Ų1754.5 Ų54.59%0.08927%0.266CS..Hα-helixtrans-64.9-37.9179.1-179.267000111.7D1309 R1315 H1329 A1332 L1336D1309-L1311 VanDerWaalsContact C-N 3.33Å; D1309-L1311 PolarHBondContact O-N 2.92Å; L1311-R1315 WeakPolarHBondContact O-CG 3.35Å; L1311-R1315 PolarHBondContact O-N 3.05Å; L1311-H1329 VanDerWaalsContact CD2-NE2 3.31Å; L1311-H1329 WeakPolarHBondContact CD2-NE2 3.29Å; L1311-A1332 HydrophobicContact CD1-CB 3.63Å; L1311-L1336 HydrophobicContact CB-CD1 4.3Å; L1311-L1336 HydrophobicContact CD1-CD1 3.76Å
1312I85.6Confident85.6Confident86 Ų8653.6 Ų53.644%0.44126%0.26SS..Hα-helixtrans-69.6-42.7177.4-57.5174.7000109.6F1297 D1309 V1310 L1314 R1315 K1316F1297-I1312 HydrophobicContact CE1-CG2 4.3Å; F1297-I1312 HydrophobicContact CZ-CB 4.39Å; F1297-I1312 HydrophobicContact CZ-CG2 3.99Å; D1309-I1312 PolarHBondContact O-N 3.14Å; V1310-I1312 VanDerWaalsContact C-N 3.31Å; V1310-I1312 PolarHBondContact O-N 3.34Å; I1312-L1314 PolarHBondContact O-N 3.35Å; I1312-R1315 PolarHBondContact O-N 3.19Å; I1312-K1316 PolarHBondContact O-N 3.39Å
1313L88Confident85.4Confident2 Ų247 Ų471%0.0124%0.237CC..Hα-helixtrans-56.2-48.4174.7179.269.9000111.3F1290 L1293 W1294 F1297 I1305 D1309 V1310 R1315 K1316 I1317F1290-L1313 HydrophobicContact CD2-CD2 4.36Å; F1290-L1313 HydrophobicContact CE2-CD2 3.73Å; F1290-L1313 HydrophobicContact CZ-CD2 4.31Å; L1293-L1313 HydrophobicContact CB-CD1 3.75Å; W1294-L1313 HydrophobicContact CE3-CD2 3.68Å; W1294-L1313 HydrophobicContact CZ3-CD2 4.1Å; F1297-L1313 HydrophobicContact CD2-CB 4.5Å; F1297-L1313 HydrophobicContact CD2-CD1 3.86Å; F1297-L1313 HydrophobicContact CE2-CB 4.02Å; F1297-L1313 HydrophobicContact CE2-CD1 3.66Å; F1297-L1313 HydrophobicContact CE2-CG 4.46Å; F1297-L1313 HydrophobicContact CZ-CB 4.46Å; I1305-L1313 HydrophobicContact CD1-CD2 4.07Å; D1309-L1313 WeakPolarHBondContact O-CB 3.35Å; D1309-L1313 PolarHBondContact O-N 3.4Å; V1310-L1313 WeakPolarHBondContact O-CB 3.43Å; V1310-L1313 PolarHBondContact O-N 2.86Å; L1313-R1315 VanDerWaalsContact C-N 3.29Å; L1313-R1315 PolarHBondContact O-N 3.04Å; L1313-K1316 PolarHBondContact O-N 2.91Å; L1313-K1316 VanDerWaalsContact O-N 3.14Å; L1313-I1317 HydrophobicContact CD1-CD1 4.35Å; L1313-I1317 HydrophobicContact CG-CD1 3.98Å; L1313-I1317 WeakPolarHBondContact O-CD1 3.31Å; L1313-I1317 VanDerWaalsContact O-CG1 3.31Å; L1313-I1317 WeakPolarHBondContact O-CG1 3.48Å; L1313-I1317 PolarHBondContact O-N 3.23Å; L1313-I1317 VanDerWaalsContact O-N 3.12Å
1314L85.7Confident85.1Confident3 Ų347 Ų472%0.01624%0.237CC..Hα-helixtrans-65.2-27.9179.6-67.7-178.8000114.3V1310 I1312 I1317 F1323 L1336 M1339 L1358V1310-L1314 HydrophobicContact CG1-CD1 4.42Å; V1310-L1314 HydrophobicContact CG1-CG 4.48Å; V1310-L1314 WeakPolarHBondContact O-CG 3.2Å; V1310-L1314 PolarHBondContact O-N 3.44Å; I1312-L1314 PolarHBondContact O-N 3.35Å; L1314-I1317 HydrophobicContact CD2-CD1 4.25Å; L1314-F1323 HydrophobicContact CB-CD2 4.1Å; L1314-F1323 HydrophobicContact CB-CE2 4.05Å; L1314-F1323 HydrophobicContact CD1-CE2 4.25Å; L1314-F1323 PolarHBondContact O-N 3.29Å; L1314-F1323 VanDerWaalsContact O-N 3.14Å; L1314-L1336 HydrophobicContact CD1-CD1 4.26Å; L1314-L1336 HydrophobicContact CD1-CD2 3.64Å; L1314-L1336 HydrophobicContact CD1-CG 3.82Å; L1314-M1339 HydrophobicContact CD1-CE 4.23Å; L1314-L1358 HydrophobicContact CD2-CD1 4.05Å; L1314-L1358 HydrophobicContact CD2-CD2 3.68Å; L1314-L1358 HydrophobicContact CD2-CG 4.4Å
1315R86.6Confident84.4Confident84 Ų8447.2 Ų47.232%0.31725%0.246SC..Hα-helixtrans-75.7-33.6173.7-72.5179.567.6-178.72.6112.2L1311 I1312 L1313 G1324 D1325L1311-R1315 WeakPolarHBondContact O-CG 3.35Å; L1311-R1315 PolarHBondContact O-N 3.05Å; I1312-R1315 PolarHBondContact O-N 3.19Å; L1313-R1315 VanDerWaalsContact C-N 3.29Å; L1313-R1315 PolarHBondContact O-N 3.04Å; R1315-G1324 CarbonylContact O-C 3.35Å; R1315-G1324 VanDerWaalsContact O-CA 3.29Å; R1315-G1324 WeakPolarHBondContact O-CA 3.41Å; R1315-D1325 PolarHBondContact NH2-O 3.22Å
1316K85.9Confident83.6Confident92 Ų9256.8 Ų56.840%0.429%0.288SS..Hα-helixtrans-71.7-28.9175.9-77.5-172.8169.1-174.40113.6L1293 E1296 F1297 I1312 L1313L1293-K1316 HydrophobicContact CD1-CB 4.38Å; E1296-K1316 IonicContact OE2-NZ 2.99Å; E1296-K1316 PolarHBondContact OE2-NZ 3.02Å; F1297-K1316 HydrophobicContact CE2-CD 4.3Å; F1297-K1316 HydrophobicContact CZ-CD 4.19Å; I1312-K1316 PolarHBondContact O-N 3.39Å; L1313-K1316 PolarHBondContact O-N 2.91Å; L1313-K1316 VanDerWaalsContact O-N 3.14Å
1317I86.8Confident82.9Confident0 Ų051.2 Ų51.20%027%0.266CS..SBendtrans-74.2135.3-179.5-64.5158.2000110.3F1290 L1293 L1313 L1314 L1321 G1322 F1323 G1324F1290-I1317 HydrophobicContact CD2-CD1 3.64Å; F1290-I1317 HydrophobicContact CE2-CD1 4.4Å; L1293-I1317 HydrophobicContact CD1-CB 4.28Å; L1293-I1317 HydrophobicContact CD1-CG1 3.52Å; L1313-I1317 HydrophobicContact CD1-CD1 4.35Å; L1313-I1317 HydrophobicContact CG-CD1 3.98Å; L1313-I1317 WeakPolarHBondContact O-CD1 3.31Å; L1313-I1317 VanDerWaalsContact O-CG1 3.31Å; L1313-I1317 WeakPolarHBondContact O-CG1 3.48Å; L1313-I1317 PolarHBondContact O-N 3.23Å; L1313-I1317 VanDerWaalsContact O-N 3.12Å; L1314-I1317 HydrophobicContact CD2-CD1 4.25Å; I1317-L1321 HydrophobicContact CG2-CB 3.91Å; I1317-L1321 HydrophobicContact CG2-CD2 4.06Å; I1317-L1321 HydrophobicContact CG2-CG 4.05Å; I1317-G1322 WeakPolarHBondContact O-CA 3.47Å; I1317-F1323 PolarHBondContact O-N 3.27Å; I1317-G1324 PolarHBondContact O-N 2.91Å; I1317-G1324 VanDerWaalsContact O-N 3.1Å
1318T84.3Confident82.5Confident65 Ų6553 Ų5340%0.39928%0.281SS..PPolyproline II helixtrans-71147.8177.364.20000113E1289 L1321 G1322E1289-T1318 PolarHBondContact OE1-N 3.03Å; E1289-T1318 PolarHBondContact OE1-OG1 3.35Å; E1289-T1318 PolarHBondContact OE2-OG1 2.99Å; T1318-L1321 PolarHBondContact O-N 2.73Å; T1318-G1322 PolarHBondContact O-N 3.23Å
1319P82.1Confident82.2Confident83 Ų8352 Ų5254%0.53927%0.274SS..THydrogen-bonded Turntrans-59.6140.3166.6-21.233.2000110.4
1320P82.9Confident81.8Confident49 Ų4957.3 Ų57.332%0.31829%0.29SS..THydrogen-bonded Turncis-93-6.821.435.5-35.7000116.1L1282 H1286L1282-P1320 HydrophobicContact CB-CG 4.48Å; L1282-P1320 HydrophobicContact CD1-CG 4.43Å; H1286-P1320 WeakPolarHBondContact CE1-CD 3.32Å; H1286-P1320 VanDerWaalsContact NE2-CD 3.34Å; H1286-P1320 WeakPolarHBondContact NE2-CD 3.45Å; H1286-P1320 WeakPolarHBondContact NE2-CG 3.36Å
1321L84.2Confident81.6Confident6 Ų661.5 Ų61.53%0.03131%0.311CS..THydrogen-bonded Turntrans-81.3-45.3-177.9-17863.6000112.3L1282 H1286 L1287 F1290 I1317 T1318 L1358L1282-L1321 HydrophobicContact CD1-CB 3.89Å; L1282-L1321 HydrophobicContact CD1-CD1 3.9Å; L1282-L1321 HydrophobicContact CD1-CG 4.41Å; H1286-L1321 HydrophobicContact CB-CB 4.11Å; H1286-L1321 HydrophobicContact CB-CD2 4.28Å; H1286-L1321 VanDerWaalsContact O-CD2 3.25Å; H1286-L1321 WeakPolarHBondContact O-CD2 3.46Å; L1287-L1321 HydrophobicContact CD2-CD1 4.15Å; L1287-L1321 HydrophobicContact CD2-CD2 4.09Å; F1290-L1321 HydrophobicContact CB-CD2 3.86Å; I1317-L1321 HydrophobicContact CG2-CB 3.91Å; I1317-L1321 HydrophobicContact CG2-CD2 4.06Å; I1317-L1321 HydrophobicContact CG2-CG 4.05Å; T1318-L1321 PolarHBondContact O-N 2.73Å; L1321-L1358 HydrophobicContact CD1-CB 4.08Å; L1321-L1358 HydrophobicContact CD1-CD2 4.35Å
1322G83.1Confident81.5Confident10 Ų1060.8 Ų60.810%0.10331%0.308CS..SBendtrans-104.4-156-18000000112.9I1317 T1318I1317-G1322 WeakPolarHBondContact O-CA 3.47Å; T1318-G1322 PolarHBondContact O-N 3.23Å
1323F82.6Confident81.3Confident50 Ų5056.7 Ų56.722%0.21929%0.287CS..  trans-118-16.5-179.1-53.3-77000115.4L1314 I1317 C1327 I1331 A1332 R1335L1314-F1323 HydrophobicContact CB-CD2 4.1Å; L1314-F1323 HydrophobicContact CB-CE2 4.05Å; L1314-F1323 HydrophobicContact CD1-CE2 4.25Å; L1314-F1323 PolarHBondContact O-N 3.29Å; L1314-F1323 VanDerWaalsContact O-N 3.14Å; I1317-F1323 PolarHBondContact O-N 3.27Å; F1323-C1327 HydrophobicContact CB-CB 3.33Å; F1323-C1327 WeakPolarHBondContact CB-SG 3.3Å; F1323-C1327 HydrophobicContact CG-CB 4.11Å; F1323-C1327 VanDerWaalsContact CG-SG 3.56Å; F1323-I1331 HydrophobicContact CE1-CG2 4.38Å; F1323-A1332 HydrophobicContact CD2-CB 3.91Å; F1323-A1332 HydrophobicContact CE2-CB 3.71Å; F1323-A1332 HydrophobicContact CZ-CB 4.29Å; F1323-R1335 HydrophobicContact CE1-CB 4.24Å; F1323-R1335 HydrophobicContact CE1-CG 4.42Å; F1323-R1335 HydrophobicContact CZ-CB 3.57Å; F1323-R1335 HydrophobicContact CZ-CG 3.84Å
1324G79.4Confident81.1Confident16 Ų1664 Ų6417%0.16532%0.319CS..  trans67.5176.9-167.200000114.4R1315 I1317 F1326 C1327R1315-G1324 CarbonylContact O-C 3.35Å; R1315-G1324 VanDerWaalsContact O-CA 3.29Å; R1315-G1324 WeakPolarHBondContact O-CA 3.41Å; I1317-G1324 PolarHBondContact O-N 2.91Å; I1317-G1324 VanDerWaalsContact O-N 3.1Å; G1324-F1326 VanDerWaalsContact C-N 3.33Å; G1324-F1326 PolarHBondContact O-N 3.05Å; G1324-C1327 PolarHBondContact O-N 3.25Å
1325D74Confident80.8Confident116 Ų11667.3 Ų67.362%0.6233%0.331SS*.THydrogen-bonded Turntrans-65.7-32.1-169.7-66.8-41.3000114.2R1315 C1327R1315-D1325 PolarHBondContact NH2-O 3.22Å; D1325-C1327 VanDerWaalsContact C-N 3.28Å; D1325-C1327 PolarHBondContact O-N 3.41Å
1326F73Confident80.6Confident208 Ų20863.3 Ų63.391%0.91232%0.316SS*.THydrogen-bonded Turntrans-84.19.4-173.3-61.2-74.3000114.6G1324G1324-F1326 VanDerWaalsContact C-N 3.33Å; G1324-F1326 PolarHBondContact O-N 3.05Å
1327C73.7Confident80.3Confident18 Ų1861.2 Ų61.212%0.12231%0.308CS..  trans-74.4130.7-177.1-173.80000112.9F1323 G1324 D1325 H1329F1323-C1327 HydrophobicContact CB-CB 3.33Å; F1323-C1327 WeakPolarHBondContact CB-SG 3.3Å; F1323-C1327 HydrophobicContact CG-CB 4.11Å; F1323-C1327 VanDerWaalsContact CG-SG 3.56Å; G1324-C1327 PolarHBondContact O-N 3.25Å; D1325-C1327 VanDerWaalsContact C-N 3.28Å; D1325-C1327 PolarHBondContact O-N 3.41Å; C1327-H1329 PolarHBondContact O-N 3.25Å
1328P75.6Confident79.9Confident73 Ų7364.1 Ų64.147%0.47433%0.329SS..  trans-61126.4169.7-1426000110.2R1330 I1331 A1332P1328-R1330 PolarHBondContact O-N 3.21Å; P1328-I1331 HydrophobicContact CB-CD1 4.31Å; P1328-I1331 HydrophobicContact CB-CG1 4.2Å; P1328-I1331 HydrophobicContact CG-CD1 3.72Å; P1328-I1331 HydrophobicContact CG-CG1 4.16Å; P1328-I1331 PolarHBondContact O-N 3.24Å; P1328-A1332 PolarHBondContact O-N 2.92Å
1329H75.8Confident79.4Confident60 Ų6061.8 Ų61.828%0.27831%0.313SS..Hα-helixtrans-47.8-34.2178.9-172.8-69.9000113.3L1311 C1327 A1332 C1333L1311-H1329 VanDerWaalsContact CD2-NE2 3.31Å; L1311-H1329 WeakPolarHBondContact CD2-NE2 3.29Å; C1327-H1329 PolarHBondContact O-N 3.25Å; H1329-A1332 PolarHBondContact O-N 3.41Å; H1329-C1333 PolarHBondContact CE1-SG 2.84Å; H1329-C1333 PolarHBondContact ND1-SG 3.04Å; H1329-C1333 PolarHBondContact O-N 3.44Å; H1329-C1333 PolarHBondContact O-SG 2.89Å; H1329-C1333 VanDerWaalsContact O-SG 3.34Å
1330R80.6Confident79.1Confident160 Ų16060.6 Ų60.660%0.60430%0.303SS*.Hα-helixtrans-63.8-39.7177.8-172-179.8-179.6-165.5-0.6113.4P1328 K1334 L1417P1328-R1330 PolarHBondContact O-N 3.21Å; R1330-K1334 WeakPolarHBondContact O-CB 3.42Å; R1330-K1334 PolarHBondContact O-N 2.02Å; R1330-L1417 HydrophobicContact CG-CD2 4.41Å
1331I81.5Confident78.9Confident94 Ų9458.6 Ų58.648%0.48229%0.289SS..Hα-helixtrans-69-43.3-179.7-61.7-176.5000109.4F1323 P1328 K1334 R1335F1323-I1331 HydrophobicContact CE1-CG2 4.38Å; P1328-I1331 HydrophobicContact CB-CD1 4.31Å; P1328-I1331 HydrophobicContact CB-CG1 4.2Å; P1328-I1331 HydrophobicContact CG-CD1 3.72Å; P1328-I1331 HydrophobicContact CG-CG1 4.16Å; P1328-I1331 PolarHBondContact O-N 3.24Å; I1331-K1334 PolarHBondContact O-N 3.27Å; I1331-R1335 PolarHBondContact O-N 3.24Å
1332A80.3Confident78.5Confident1 Ų160 Ų601%0.00830%0.3CS..Hα-helixtrans-60.4-46.8175.900000112.2L1311 F1323 P1328 H1329 K1334 R1335 L1336L1311-A1332 HydrophobicContact CD1-CB 3.63Å; F1323-A1332 HydrophobicContact CD2-CB 3.91Å; F1323-A1332 HydrophobicContact CE2-CB 3.71Å; F1323-A1332 HydrophobicContact CZ-CB 4.29Å; P1328-A1332 PolarHBondContact O-N 2.92Å; H1329-A1332 PolarHBondContact O-N 3.41Å; A1332-K1334 PolarHBondContact O-N 3.05Å; A1332-R1335 PolarHBondContact O-N 3.46Å; A1332-L1336 PolarHBondContact O-N 3.25Å
1333C82.3Confident78.3Confident0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-62.1-40.8174.5-69.10000112.7H1329 R1335 L1336 I1337 Y1413 L1417H1329-C1333 PolarHBondContact CE1-SG 2.84Å; H1329-C1333 PolarHBondContact ND1-SG 3.04Å; H1329-C1333 PolarHBondContact O-N 3.44Å; H1329-C1333 PolarHBondContact O-SG 2.89Å; H1329-C1333 VanDerWaalsContact O-SG 3.34Å; C1333-R1335 VanDerWaalsContact C-N 3.31Å; C1333-R1335 PolarHBondContact O-N 3.01Å; C1333-L1336 PolarHBondContact O-N 3.33Å; C1333-I1337 WeakPolarHBondContact O-CG1 3.39Å; C1333-I1337 PolarHBondContact O-N 2.82Å; C1333-I1337 VanDerWaalsContact O-N 3.13Å; C1333-Y1413 HydrophobicContact CB-CD1 4.32Å; C1333-L1417 HydrophobicContact CB-CD1 4.03Å; C1333-L1417 HydrophobicContact CB-CD2 4.14Å; C1333-L1417 HydrophobicContact CB-CG 4.2Å
1334K83Confident78.3Confident157 Ų15761.4 Ų61.468%0.68331%0.305SS*.Hα-helixtrans-61.2-40178-173.1-178.6177.9-175.20111.7R1330 I1331 A1332 I1337 S1338R1330-K1334 WeakPolarHBondContact O-CB 3.42Å; R1330-K1334 PolarHBondContact O-N 2.02Å; I1331-K1334 PolarHBondContact O-N 3.27Å; A1332-K1334 PolarHBondContact O-N 3.05Å; K1334-I1337 PolarHBondContact O-N 2.94Å; K1334-S1338 PolarHBondContact O-N 3.12Å
1335R80.1Confident78.3Confident72 Ų7267.4 Ų67.427%0.27234%0.341SS..Hα-helixtrans-68.6-40.9176.8-165.878.3164.5161.8-2.3112.1F1323 I1331 A1332 C1333 I1337 S1338 M1339 T1361 N1362F1323-R1335 HydrophobicContact CE1-CB 4.24Å; F1323-R1335 HydrophobicContact CE1-CG 4.42Å; F1323-R1335 HydrophobicContact CZ-CB 3.57Å; F1323-R1335 HydrophobicContact CZ-CG 3.84Å; I1331-R1335 PolarHBondContact O-N 3.24Å; A1332-R1335 PolarHBondContact O-N 3.46Å; C1333-R1335 VanDerWaalsContact C-N 3.31Å; C1333-R1335 PolarHBondContact O-N 3.01Å; R1335-I1337 PolarHBondContact O-N 3.15Å; R1335-S1338 WeakPolarHBondContact CA-OG 3.37Å; R1335-S1338 PolarHBondContact O-N 3.25Å; R1335-S1338 PolarHBondContact O-OG 2.9Å; R1335-M1339 HydrophobicContact CB-CE 4.42Å; R1335-M1339 HydrophobicContact CG-CE 3.56Å; R1335-M1339 WeakPolarHBondContact O-CG 3.5Å; R1335-M1339 PolarHBondContact O-N 3.15Å; R1335-T1361 VanDerWaalsContact NH1-CG2 3.32Å; R1335-T1361 PolarHBondContact NH2-O 3.19Å; R1335-N1362 PolarHBondContact NH2-OD1 3.46Å
1336L81.6Confident78.6Confident0 Ų066.5 Ų66.50%034%0.337CS..Hα-helixtrans-57.6-35.3174.8-82.5164000112.2V1310 L1311 L1314 A1332 C1333 M1339 M1341 Y1413V1310-L1336 HydrophobicContact CG1-CD2 3.88Å; L1311-L1336 HydrophobicContact CB-CD1 4.3Å; L1311-L1336 HydrophobicContact CD1-CD1 3.76Å; L1314-L1336 HydrophobicContact CD1-CD1 4.26Å; L1314-L1336 HydrophobicContact CD1-CD2 3.64Å; L1314-L1336 HydrophobicContact CD1-CG 3.82Å; A1332-L1336 PolarHBondContact O-N 3.25Å; C1333-L1336 PolarHBondContact O-N 3.33Å; L1336-M1339 HydrophobicContact CD2-SD 4.32Å; L1336-M1339 PolarHBondContact O-N 3.42Å; L1336-M1341 HydrophobicContact CD2-CE 3.7Å; L1336-Y1413 HydrophobicContact CB-CD2 4.32Å; L1336-Y1413 HydrophobicContact CD1-CD2 4.29Å; L1336-Y1413 HydrophobicContact CD1-CE2 3.98Å
1337I80.1Confident79Confident47 Ų4757.5 Ų57.524%0.24130%0.302CS..Hα-helixtrans-63.8-43.8173.9-63.9165000111.2C1333 K1334 R1335 M1339 N1340 A1414 L1417C1333-I1337 WeakPolarHBondContact O-CG1 3.39Å; C1333-I1337 PolarHBondContact O-N 2.82Å; C1333-I1337 VanDerWaalsContact O-N 3.13Å; K1334-I1337 PolarHBondContact O-N 2.94Å; R1335-I1337 PolarHBondContact O-N 3.15Å; I1337-M1339 PolarHBondContact O-N 3.43Å; I1337-N1340 PolarHBondContact O-N 3.06Å; I1337-A1414 HydrophobicContact CD1-CB 3.98Å; I1337-A1414 HydrophobicContact CG1-CB 4.28Å; I1337-A1414 HydrophobicContact CG2-CB 4.45Å; I1337-L1417 HydrophobicContact CD1-CD1 3.45Å; I1337-L1417 VanDerWaalsContact CD1-CD1 3.45Å; I1337-L1417 HydrophobicContact CD1-CG 4.41Å
1338S77.6Confident79.7Confident62 Ų6257.5 Ų57.543%0.43430%0.302SS..Hα-helixtrans-67.1-18.1177.960.80000114.6K1334 R1335K1334-S1338 PolarHBondContact O-N 3.12Å; R1335-S1338 WeakPolarHBondContact CA-OG 3.37Å; R1335-S1338 PolarHBondContact O-N 3.25Å; R1335-S1338 PolarHBondContact O-OG 2.9Å
1339M75.2Confident80.2Confident15 Ų1554 Ų547%0.07428%0.279CS..Hα-helixtrans-79.3-21.9179.6-71.1179.1-161.500113.4L1314 R1335 L1336 I1337 M1341 A1357 L1358L1314-M1339 HydrophobicContact CD1-CE 4.23Å; R1335-M1339 HydrophobicContact CB-CE 4.42Å; R1335-M1339 HydrophobicContact CG-CE 3.56Å; R1335-M1339 WeakPolarHBondContact O-CG 3.5Å; R1335-M1339 PolarHBondContact O-N 3.15Å; L1336-M1339 HydrophobicContact CD2-SD 4.32Å; L1336-M1339 PolarHBondContact O-N 3.42Å; I1337-M1339 PolarHBondContact O-N 3.43Å; M1339-M1341 HydrophobicContact CB-CE 4.49Å; M1339-M1341 HydrophobicContact CB-CG 4.21Å; M1339-M1341 PolarHBondContact O-N 3.49Å; M1339-A1357 HydrophobicContact CB-CB 4Å; M1339-A1357 HydrophobicContact CG-CB 4.4Å; M1339-L1358 HydrophobicContact CE-CD2 3.4Å; M1339-L1358 VanDerWaalsContact CE-CD2 3.4Å; M1339-L1358 HydrophobicContact CE-CG 4.24Å; M1339-L1358 HydrophobicContact SD-CD2 4.01Å; M1339-L1358 HydrophobicContact SD-CG 4.21Å
1340N74.5Confident80.8Confident59 Ų5951.3 Ų51.332%0.31627%0.267SS..  trans41.650.7177.5-160.833.5000115.9I1337 I1371 T1408I1337-N1340 PolarHBondContact O-N 3.06Å; N1340-I1371 HydrophobicContact CB-CD1 4.31Å; N1340-T1408 WeakPolarHBondContact OD1-CB 3.28Å; N1340-T1408 WeakPolarHBondContact OD1-CG2 3.47Å; N1340-T1408 PolarHBondContact OD1-OG1 3.4Å
1341M79.2Confident81.2Confident7 Ų743.9 Ų43.93%0.03424%0.239CC..PPolyproline II helixtrans-77141.2179.5-58.2170.9-63.600111.8V1310 L1336 M1339 V1349 T1354 A1357 T1408 V1409V1310-M1341 HydrophobicContact CG1-CE 4.42Å; L1336-M1341 HydrophobicContact CD2-CE 3.7Å; M1339-M1341 HydrophobicContact CB-CE 4.49Å; M1339-M1341 HydrophobicContact CB-CG 4.21Å; M1339-M1341 PolarHBondContact O-N 3.49Å; M1341-V1349 HydrophobicContact CB-CG1 4.22Å; M1341-V1349 HydrophobicContact SD-CG1 4.33Å; M1341-T1354 HydrophobicContact SD-CG2 3.7Å; M1341-A1357 HydrophobicContact CG-CB 3.73Å; M1341-A1357 HydrophobicContact SD-CB 4.25Å; M1341-T1408 WeakPolarHBondContact O-CA 3.19Å; M1341-T1408 WeakPolarHBondContact O-CB 3.36Å; M1341-V1409 HydrophobicContact CB-CB 4.42Å; M1341-V1409 HydrophobicContact CB-CG2 4.2Å; M1341-V1409 HydrophobicContact CE-CB 4.13Å; M1341-V1409 HydrophobicContact CE-CG1 3.92Å; M1341-V1409 HydrophobicContact CE-CG2 4.28Å; M1341-V1409 PolarHBondContact O-N 3.15Å
1342S76.2Confident81.6Confident36 Ų3641 Ų4125%0.25222%0.224SC..BIsolated β-bridgetrans-69.5141172.851.30000111.4
1343L78.7Confident81.9Confident47 Ų4741.5 Ų41.525%0.24623%0.228CC..PPolyproline II helixtrans-101.3129.3174.4-16871000109H1307 V1349 V1407 V1409H1307-L1343 HydrophobicContact CB-CD1 3.93Å; L1343-V1349 HydrophobicContact CD1-CG2 4.02Å; L1343-V1407 WeakPolarHBondContact CB-O 3.37Å; L1343-V1407 HydrophobicContact CD2-CG1 4.19Å; L1343-V1407 PolarHBondContact N-O 2.96Å; L1343-V1409 HydrophobicContact CD1-CG2 4.21Å
1344H81.6Confident82.3Confident41 Ų4141.7 Ų41.719%0.1923%0.229CC..PPolyproline II helixtrans-71.3157.1170.7-68.3-62.5000110.8D1346 G1347 T1348H1344-D1346 WeakPolarHBondContact CB-OD1 3.03Å; H1344-D1346 PolarHBondContact O-N 3.02Å; H1344-G1347 PolarHBondContact O-N 2.9Å; H1344-T1348 PolarHBondContact N-O 2.91Å
1345P79.2Confident82.6Confident143 Ų14334.2 Ų34.293%0.92920%0.196SC*.THydrogen-bonded Turntrans-57.6-21.7-179.2-26.134.4000115.1G1347P1345-G1347 VanDerWaalsContact C-N 3.29Å
1346D80.2Confident82.9Confident97 Ų9731.2 Ų31.252%0.51919%0.186SC..THydrogen-bonded Turntrans-843.2176.960.11.8000113.7R1304 H1344 T1348R1304-D1346 IonicContact NH1-OD2 4Å; H1344-D1346 WeakPolarHBondContact CB-OD1 3.03Å; H1344-D1346 PolarHBondContact O-N 3.02Å; D1346-T1348 VanDerWaalsContact C-N 3.3Å; D1346-T1348 HydrophobicContact CB-CG2 4.48Å; D1346-T1348 WeakPolarHBondContact OD1-CB 3.34Å; D1346-T1348 PolarHBondContact OD1-N 3.28Å; D1346-T1348 VanDerWaalsContact OD1-N 3.1Å; D1346-T1348 PolarHBondContact OD1-OG1 3.09Å; D1346-T1348 PolarHBondContact OD2-OG1 3.02Å
1347G81.9Confident83.1Confident18 Ų1831.6 Ų31.619%0.18619%0.189CC..SBendtrans75.417.6-177.800000114H1307 H1344 P1345H1307-G1347 PolarHBondContact N-O 3.25Å; H1307-G1347 PolarHBondContact ND1-O 2.03Å; H1344-G1347 PolarHBondContact O-N 2.9Å; P1345-G1347 VanDerWaalsContact C-N 3.29Å
1348T87.9Confident83.5Confident19 Ų1929.6 Ų29.612%0.11718%0.179CC..EExtended strand (participates in β ladder)trans-101.7159.6177.171.60000112.5R1304 I1305 H1344 D1346R1304-T1348 WeakPolarHBondContact CD-OG1 3.44Å; I1305-T1348 CarbonylContact O-C 3.57Å; I1305-T1348 WeakPolarHBondContact O-CA 3.1Å; I1305-T1348 WeakPolarHBondContact O-CB 3.42Å; H1344-T1348 PolarHBondContact N-O 2.91Å; D1346-T1348 VanDerWaalsContact C-N 3.3Å; D1346-T1348 HydrophobicContact CB-CG2 4.48Å; D1346-T1348 WeakPolarHBondContact OD1-CB 3.34Å; D1346-T1348 PolarHBondContact OD1-N 3.28Å; D1346-T1348 VanDerWaalsContact OD1-N 3.1Å; D1346-T1348 PolarHBondContact OD1-OG1 3.09Å; D1346-T1348 PolarHBondContact OD2-OG1 3.02Å
1349V87Confident83.9Confident0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-121.1137.6176.4-166.10000108.9R1304 I1305 H1307 V1310 M1341 L1343 T1354 V1409R1304-V1349 WeakPolarHBondContact CA-O 3.22Å; I1305-V1349 PolarHBondContact N-O 3.04Å; I1305-V1349 PolarHBondContact O-N 3.04Å; H1307-V1349 HydrophobicContact CB-CG2 4.12Å; V1310-V1349 HydrophobicContact CG2-CG2 4.34Å; M1341-V1349 HydrophobicContact CB-CG1 4.22Å; M1341-V1349 HydrophobicContact SD-CG1 4.33Å; L1343-V1349 HydrophobicContact CD1-CG2 4.02Å; V1349-T1354 HydrophobicContact CB-CG2 4.07Å; V1349-T1354 HydrophobicContact CG1-CG2 3.43Å; V1349-T1354 VanDerWaalsContact CG1-CG2 3.43Å; V1349-V1409 HydrophobicContact CG2-CG2 3.77Å
1350G87.6Confident84.5Confident3 Ų327.8 Ų27.83%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-73.1143.9179.500000113.7A1353 T1354G1350-A1353 PolarHBondContact O-N 2.76Å; G1350-T1354 WeakPolarHBondContact O-CG2 3.48Å; G1350-T1354 PolarHBondContact O-N 3.32Å; G1350-T1354 PolarHBondContact O-OG1 3.09Å
1351F90.8Very high84.9Confident3 Ų325.7 Ų25.71%0.01315%0.151CC..Hα-helixtrans-53.8-55.1178173-100.5000112.5A999 F1290 V1291 W1294 G1303 A1353 T1354 L1355A999-F1351 HydrophobicContact CB-CE1 3.95Å; A999-F1351 HydrophobicContact CB-CZ 4.18Å; F1290-F1351 HydrophobicContact CD1-CE2 4.11Å; F1290-F1351 AromaticContact CE1-CD2 3.92Å; F1290-F1351 HydrophobicContact CE1-CD2 3.92Å; F1290-F1351 AromaticContact CE1-CE2 3.57Å; F1290-F1351 HydrophobicContact CE1-CE2 3.57Å; F1290-F1351 HydrophobicContact CE1-CZ 4.32Å; V1291-F1351 HydrophobicContact CG1-CZ 4.49Å; V1291-F1351 HydrophobicContact CG2-CE2 4.38Å; V1291-F1351 HydrophobicContact CG2-CZ 3.89Å; W1294-F1351 HydrophobicContact CB-CE2 4.34Å; W1294-F1351 AromaticContact CD1-CD2 3.9Å; W1294-F1351 AromaticContact CD2-CD2 3.59Å; W1294-F1351 HydrophobicContact CD2-CD2 3.59Å; W1294-F1351 HydrophobicContact CD2-CE2 4.24Å; W1294-F1351 AromaticContact CE2-CD2 3.61Å; W1294-F1351 HydrophobicContact CE3-CD2 4.07Å; W1294-F1351 AromaticContact CG-CD2 3.78Å; W1294-F1351 HydrophobicContact CG-CD2 3.78Å; W1294-F1351 HydrophobicContact CG-CE2 4.04Å; W1294-F1351 HydrophobicContact CH2-CB 4.16Å; W1294-F1351 HydrophobicContact CH2-CD2 4.5Å; W1294-F1351 HydrophobicContact CZ2-CB 3.7Å; W1294-F1351 HydrophobicContact CZ2-CD2 4.09Å; W1294-F1351 HydrophobicContact CZ2-CG 4.42Å; W1294-F1351 HydrophobicContact CZ3-CD2 4.5Å; W1294-F1351 AromaticContact NE1-CD2 3.83Å; G1303-F1351 WeakPolarHBondContact O-CB 2.98Å; G1303-F1351 PolarHBondContact O-N 3.05Å; F1351-A1353 VanDerWaalsContact C-N 3.35Å; F1351-A1353 PolarHBondContact O-N 2.86Å; F1351-T1354 PolarHBondContact O-N 2.72Å; F1351-T1354 PolarHBondContact O-OG1 3.25Å; F1351-L1355 HydrophobicContact CE1-CD2 4.32Å; F1351-L1355 HydrophobicContact CZ-CD2 4.29Å; F1351-L1355 WeakPolarHBondContact O-CB 3.19Å; F1351-L1355 PolarHBondContact O-N 3.21Å
1352H89.3Confident85.1Confident34 Ų3427.5 Ų27.516%0.15716%0.161CC..Hα-helixtrans-66.6-35.5-178.1-67.8-80.4000113T996 A999 L1355 I1356 F1393 I1397T996-H1352 PolarHBondContact O-ND1 3.17Å; A999-H1352 PolarHBondContact O-CE1 3.41Å; A999-H1352 PolarHBondContact O-NE2 3.46Å; H1352-L1355 PolarHBondContact O-N 3.37Å; H1352-I1356 PolarHBondContact O-N 3.49Å; H1352-F1393 HydrophobicContact CB-CZ 4.5Å; H1352-F1393 AromaticContact CD2-CE2 3.6Å; H1352-F1393 AromaticContact CD2-CZ 3.9Å; H1352-F1393 AromaticContact CE1-CZ 3.71Å; H1352-F1393 AromaticContact CG-CE2 3.95Å; H1352-F1393 AromaticContact CG-CZ 3.87Å; H1352-F1393 AromaticContact ND1-CZ 3.79Å; H1352-F1393 AromaticContact NE2-CE2 3.74Å; H1352-F1393 AromaticContact NE2-CZ 3.82Å; H1352-I1397 HydrophobicContact CB-CD1 3.66Å; H1352-I1397 HydrophobicContact CB-CG1 3.74Å
1353A87.2Confident85.4Confident11 Ų1127.5 Ų27.59%0.09116%0.158CC..Hα-helixtrans-63.5-42.7176.300000111.6G1350 F1351 A1357G1350-A1353 PolarHBondContact O-N 2.76Å; F1351-A1353 VanDerWaalsContact C-N 3.35Å; F1351-A1353 PolarHBondContact O-N 2.86Å; A1353-A1357 VanDerWaalsContact O-CB 3.32Å; A1353-A1357 WeakPolarHBondContact O-CB 3.47Å; A1353-A1357 PolarHBondContact O-N 3.02Å
1354T88.7Confident85.6Confident4 Ų430.7 Ų30.73%0.02518%0.175CC..Hα-helixtrans-65.4-42.6174.958.10000112.5F1290 W1294 M1341 V1349 G1350 F1351 A1357 L1358F1290-T1354 WeakPolarHBondContact CZ-OG1 3.5Å; W1294-T1354 HydrophobicContact CH2-CG2 4.25Å; W1294-T1354 HydrophobicContact CZ3-CG2 4.12Å; W1294-T1354 WeakPolarHBondContact CZ3-OG1 2.97Å; M1341-T1354 HydrophobicContact SD-CG2 3.7Å; V1349-T1354 HydrophobicContact CB-CG2 4.07Å; V1349-T1354 HydrophobicContact CG1-CG2 3.43Å; V1349-T1354 VanDerWaalsContact CG1-CG2 3.43Å; G1350-T1354 WeakPolarHBondContact O-CG2 3.48Å; G1350-T1354 PolarHBondContact O-N 3.32Å; G1350-T1354 PolarHBondContact O-OG1 3.09Å; F1351-T1354 PolarHBondContact O-N 2.72Å; F1351-T1354 PolarHBondContact O-OG1 3.25Å; T1354-A1357 PolarHBondContact O-N 3.34Å; T1354-L1358 WeakPolarHBondContact O-CB 3.4Å; T1354-L1358 WeakPolarHBondContact O-CG 3.46Å; T1354-L1358 PolarHBondContact O-N 3.44Å
1355L89.2Confident85.6Confident0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-68.3-44.3-176.3-171.959.7000111.8T996 A999 L1287 F1290 F1351 H1352 A1357 L1358 V1359T996-L1355 HydrophobicContact CG2-CB 4.01Å; T996-L1355 HydrophobicContact CG2-CD2 4.01Å; T996-L1355 HydrophobicContact CG2-CG 3.81Å; A999-L1355 HydrophobicContact CB-CD2 3.97Å; L1287-L1355 HydrophobicContact CB-CD1 4.45Å; L1287-L1355 HydrophobicContact CD2-CD1 3.84Å; F1290-L1355 HydrophobicContact CD1-CD1 3.61Å; F1290-L1355 HydrophobicContact CE1-CB 4.15Å; F1290-L1355 HydrophobicContact CE1-CD1 3.85Å; F1290-L1355 HydrophobicContact CE1-CG 4.43Å; F1290-L1355 HydrophobicContact CG-CD1 4.07Å; F1351-L1355 HydrophobicContact CE1-CD2 4.32Å; F1351-L1355 HydrophobicContact CZ-CD2 4.29Å; F1351-L1355 WeakPolarHBondContact O-CB 3.19Å; F1351-L1355 PolarHBondContact O-N 3.21Å; H1352-L1355 PolarHBondContact O-N 3.37Å; L1355-A1357 VanDerWaalsContact C-N 3.33Å; L1355-A1357 PolarHBondContact O-N 3.16Å; L1355-L1358 PolarHBondContact O-N 2.88Å; L1355-V1359 WeakPolarHBondContact O-CG2 3.39Å; L1355-V1359 PolarHBondContact O-N 3.11Å
1356I88.2Confident85.5Confident9 Ų924.8 Ų24.85%0.04613%0.134CC..Hα-helixtrans-66.7-37.3178.6-154.8164.1000111.8T996 H1352 V1359 R1360 I1397 L1398T996-I1356 HydrophobicContact CG2-CB 3.76Å; T996-I1356 HydrophobicContact CG2-CG1 4.15Å; H1352-I1356 PolarHBondContact O-N 3.49Å; I1356-V1359 PolarHBondContact O-N 3.43Å; I1356-R1360 VanDerWaalsContact O-CB 3.23Å; I1356-R1360 WeakPolarHBondContact O-CB 3.42Å; I1356-R1360 PolarHBondContact O-N 3.46Å; I1356-I1397 HydrophobicContact CB-CG2 3.9Å; I1356-I1397 HydrophobicContact CD1-CG2 3.45Å; I1356-I1397 VanDerWaalsContact CD1-CG2 3.45Å; I1356-I1397 HydrophobicContact CG1-CG2 4.25Å; I1356-I1397 HydrophobicContact CG2-CG2 3.48Å; I1356-I1397 VanDerWaalsContact CG2-CG2 3.48Å; I1356-L1398 HydrophobicContact CD1-CD1 4.47Å; I1356-L1398 HydrophobicContact CD1-CD2 4.41Å; I1356-L1398 HydrophobicContact CD1-CG 4.38Å
1357A85.7Confident85Confident9 Ų923.2 Ų23.27%0.07413%0.13CC..Hα-helixtrans-65.2-44.5178.900000110.1M1339 M1341 A1353 T1354 L1355 V1359 R1360 T1361M1339-A1357 HydrophobicContact CB-CB 4Å; M1339-A1357 HydrophobicContact CG-CB 4.4Å; M1341-A1357 HydrophobicContact CG-CB 3.73Å; M1341-A1357 HydrophobicContact SD-CB 4.25Å; A1353-A1357 VanDerWaalsContact O-CB 3.32Å; A1353-A1357 WeakPolarHBondContact O-CB 3.47Å; A1353-A1357 PolarHBondContact O-N 3.02Å; T1354-A1357 PolarHBondContact O-N 3.34Å; L1355-A1357 VanDerWaalsContact C-N 3.33Å; L1355-A1357 PolarHBondContact O-N 3.16Å; A1357-V1359 PolarHBondContact O-N 3.33Å; A1357-R1360 PolarHBondContact O-N 3.33Å; A1357-T1361 PolarHBondContact O-N 3.37Å; A1357-T1361 PolarHBondContact O-OG1 3.24Å
1358L86.9Confident84.5Confident4 Ų431.8 Ų31.82%0.02117%0.165CC..Hα-helixtrans-57.9-47.7174.2-82.2165.9000112.9F1290 L1314 L1321 M1339 T1354 L1355 N1362F1290-L1358 HydrophobicContact CD2-CD1 3.86Å; F1290-L1358 HydrophobicContact CE2-CD1 3.6Å; F1290-L1358 HydrophobicContact CZ-CD1 4.42Å; L1314-L1358 HydrophobicContact CD2-CD1 4.05Å; L1314-L1358 HydrophobicContact CD2-CD2 3.68Å; L1314-L1358 HydrophobicContact CD2-CG 4.4Å; L1321-L1358 HydrophobicContact CD1-CB 4.08Å; L1321-L1358 HydrophobicContact CD1-CD2 4.35Å; M1339-L1358 HydrophobicContact CE-CD2 3.4Å; M1339-L1358 VanDerWaalsContact CE-CD2 3.4Å; M1339-L1358 HydrophobicContact CE-CG 4.24Å; M1339-L1358 HydrophobicContact SD-CD2 4.01Å; M1339-L1358 HydrophobicContact SD-CG 4.21Å; T1354-L1358 WeakPolarHBondContact O-CB 3.4Å; T1354-L1358 WeakPolarHBondContact O-CG 3.46Å; T1354-L1358 PolarHBondContact O-N 3.44Å; L1355-L1358 PolarHBondContact O-N 2.88Å; L1358-N1362 WeakPolarHBondContact O-CB 3.3Å; L1358-N1362 PolarHBondContact O-N 3.31Å; L1358-N1362 VanDerWaalsContact O-N 3.09Å; L1358-N1362 PolarHBondContact O-ND2 3.45Å
1359V87.1Confident83.7Confident1 Ų133 Ų331%0.00617%0.171CC..Hα-helixtrans-63.9-46.9179.5170.10000110.7C992 L1287 L1355 I1356 A1357 T1361 N1362 L1363 I1365C992-V1359 HydrophobicContact CB-CG1 3.67Å; C992-V1359 HydrophobicContact CB-CG2 4.48Å; L1287-V1359 HydrophobicContact CD1-CG2 4.06Å; L1287-V1359 HydrophobicContact CD2-CG2 3.68Å; L1355-V1359 WeakPolarHBondContact O-CG2 3.39Å; L1355-V1359 PolarHBondContact O-N 3.11Å; I1356-V1359 PolarHBondContact O-N 3.43Å; A1357-V1359 PolarHBondContact O-N 3.33Å; V1359-T1361 PolarHBondContact O-N 3.21Å; V1359-N1362 PolarHBondContact O-N 3.39Å; V1359-L1363 HydrophobicContact CG1-CD1 3.79Å; V1359-L1363 WeakPolarHBondContact O-CB 3.28Å; V1359-L1363 PolarHBondContact O-N 3.49Å; V1359-I1365 HydrophobicContact CG1-CD1 4.33Å
1360R86.5Confident83.3Confident38 Ų3837.4 Ų37.414%0.14320%0.2CC..Hα-helixtrans-59-47.8179.6-179.3-177.1175.2179.3-0.7112.1I1356 A1357 N1364 I1365 N1375I1356-R1360 VanDerWaalsContact O-CB 3.23Å; I1356-R1360 WeakPolarHBondContact O-CB 3.42Å; I1356-R1360 PolarHBondContact O-N 3.46Å; A1357-R1360 PolarHBondContact O-N 3.33Å; R1360-N1364 PolarHBondContact O-N 2.88Å; R1360-N1364 VanDerWaalsContact O-N 3.09Å; R1360-I1365 HydrophobicContact CG-CB 4.38Å; R1360-I1365 WeakPolarHBondContact CG-O 3.42Å; R1360-I1365 PolarHBondContact O-N 3.4Å; R1360-N1375 PolarHBondContact NH1-OD1 3.47Å
1361T83.8Confident82.6Confident16 Ų1641 Ų4110%0.09822%0.217CC..Hα-helixtrans-72.8-29.8-177-40.70000112.4R1335 A1357 V1359 N1364R1335-T1361 VanDerWaalsContact NH1-CG2 3.32Å; R1335-T1361 PolarHBondContact NH2-O 3.19Å; A1357-T1361 PolarHBondContact O-N 3.37Å; A1357-T1361 PolarHBondContact O-OG1 3.24Å; V1359-T1361 PolarHBondContact O-N 3.21Å; T1361-N1364 PolarHBondContact O-OD1 3.39Å
1362N84.6Confident81.8Confident45 Ų4546.2 Ų46.224%0.24124%0.242CC..Hα-helixtrans-80.9-31178-75.1-48.9000113.3L1282 R1335 L1358 V1359L1282-N1362 HydrophobicContact CD2-CB 3.69Å; R1335-N1362 PolarHBondContact NH2-OD1 3.46Å; L1358-N1362 WeakPolarHBondContact O-CB 3.3Å; L1358-N1362 PolarHBondContact O-N 3.31Å; L1358-N1362 VanDerWaalsContact O-N 3.09Å; L1358-N1362 PolarHBondContact O-ND2 3.45Å; V1359-N1362 PolarHBondContact O-N 3.39Å
1363L82.3Confident81.5Confident35 Ų3548.4 Ų48.418%0.18325%0.254CS..THydrogen-bonded Turntrans-97.74.1179.1-63177.6000114.2Q989 C992 L1282 V1359 I1365Q989-L1363 HydrophobicContact CG-CD1 4.36Å; C992-L1363 HydrophobicContact CB-CD1 3.88Å; L1282-L1363 HydrophobicContact CB-CD2 4.21Å; L1282-L1363 HydrophobicContact CD2-CD1 4.47Å; L1282-L1363 HydrophobicContact CD2-CD2 4.14Å; L1282-L1363 HydrophobicContact CD2-CG 4Å; V1359-L1363 HydrophobicContact CG1-CD1 3.79Å; V1359-L1363 WeakPolarHBondContact O-CB 3.28Å; V1359-L1363 PolarHBondContact O-N 3.49Å; L1363-I1365 HydrophobicContact CB-CD1 3.88Å; L1363-I1365 HydrophobicContact CB-CG1 3.85Å; L1363-I1365 HydrophobicContact CD1-CD1 4.07Å; L1363-I1365 PolarHBondContact O-N 3.15Å
1364N82.9Confident81.1Confident115 Ų11547.9 Ų47.962%0.61525%0.25SS*.THydrogen-bonded Turntrans50.136-176.7-68-24000114.5R1360 T1361 Y1366 S1367R1360-N1364 PolarHBondContact O-N 2.88Å; R1360-N1364 VanDerWaalsContact O-N 3.09Å; T1361-N1364 PolarHBondContact O-OD1 3.39Å; N1364-Y1366 PolarHBondContact O-N 3.32Å; N1364-S1367 VanDerWaalsContact C-OG 3.26Å; N1364-S1367 WeakPolarHBondContact CA-OG 3.47Å; N1364-S1367 PolarHBondContact O-OG 3.38Å
1365I80.7Confident80.8Confident6 Ų648.4 Ų48.43%0.03125%0.252CS..THydrogen-bonded Turntrans-69.8119.1-178.9-63.5162.3000109.1Q989 I993 V1359 R1360 L1363 S1367 L1378Q989-I1365 HydrophobicContact CB-CD1 4.17Å; Q989-I1365 HydrophobicContact CB-CG1 4.43Å; Q989-I1365 HydrophobicContact CG-CD1 4.21Å; Q989-I1365 HydrophobicContact CG-CG1 4.06Å; I993-I1365 HydrophobicContact CD1-CD1 4.22Å; I993-I1365 HydrophobicContact CG1-CD1 4.42Å; V1359-I1365 HydrophobicContact CG1-CD1 4.33Å; R1360-I1365 HydrophobicContact CG-CB 4.38Å; R1360-I1365 WeakPolarHBondContact CG-O 3.42Å; R1360-I1365 PolarHBondContact O-N 3.4Å; L1363-I1365 HydrophobicContact CB-CD1 3.88Å; L1363-I1365 HydrophobicContact CB-CG1 3.85Å; L1363-I1365 HydrophobicContact CD1-CD1 4.07Å; L1363-I1365 PolarHBondContact O-N 3.15Å; I1365-S1367 VanDerWaalsContact C-N 3.26Å; I1365-S1367 PolarHBondContact O-N 3.05Å; I1365-S1367 PolarHBondContact O-OG 3.42Å; I1365-L1378 HydrophobicContact CG2-CD1 4.26Å
1366Y77.6Confident80.4Confident54 Ų5451.8 Ų51.821%0.21227%0.273CS..THydrogen-bonded Turntrans44.448.4-177.5-58.5-70.8000112.8L985 N1364 A1374 K1377 L1378L985-Y1366 HydrophobicContact CD1-CE2 4.03Å; L985-Y1366 WeakPolarHBondContact CD1-OH 3.49Å; N1364-Y1366 PolarHBondContact O-N 3.32Å; Y1366-A1374 WeakPolarHBondContact O-CB 3.46Å; Y1366-K1377 HydrophobicContact CD1-CB 4.48Å; Y1366-K1377 HydrophobicContact CD1-CD 4.26Å; Y1366-K1377 HydrophobicContact CE1-CB 4.39Å; Y1366-K1377 HydrophobicContact CE1-CD 4.33Å; Y1366-L1378 HydrophobicContact CD2-CB 4.11Å; Y1366-L1378 HydrophobicContact CD2-CD1 4.2Å; Y1366-L1378 HydrophobicContact CE2-CB 4.38Å; Y1366-L1378 HydrophobicContact CE2-CD1 4.09Å
1367S70Confident80.3Confident63 Ų6355.1 Ų55.144%0.44129%0.288SS..  trans-90.7-12.7-177-62.80000114.2N1364 I1365N1364-S1367 VanDerWaalsContact C-OG 3.26Å; N1364-S1367 WeakPolarHBondContact CA-OG 3.47Å; N1364-S1367 PolarHBondContact O-OG 3.38Å; I1365-S1367 VanDerWaalsContact C-N 3.26Å; I1365-S1367 PolarHBondContact O-N 3.05Å; I1365-S1367 PolarHBondContact O-OG 3.42Å
1368E70.4Confident80.2Confident199 Ų19954.9 Ų54.993%0.9329%0.285SS*.SBendtrans-81.5-32.1179.6-62.1-17717400112.6
1369D72Confident80.1Confident44 Ų4456.1 Ų56.124%0.23529%0.289CS..SBendtrans-75.1151.9177.9-70-47.7000111.2I1371 L1373 A1374 K1377D1369-I1371 PolarHBondContact O-N 2.82Å; D1369-L1373 HydrophobicContact CB-CB 4.31Å; D1369-L1373 HydrophobicContact CB-CD2 4.17Å; D1369-L1373 HydrophobicContact CB-CG 4.32Å; D1369-A1374 HydrophobicContact CB-CB 4.07Å; D1369-K1377 IonicContact OD1-NZ 3.79Å; D1369-K1377 PolarHBondContact OD1-NZ 2.86Å; D1369-K1377 WeakPolarHBondContact OD2-CD 3.03Å; D1369-K1377 WeakPolarHBondContact OD2-CE 3.28Å; D1369-K1377 IonicContact OD2-NZ 2.66Å; D1369-K1377 PolarHBondContact OD2-NZ 3.36Å
1370P77.1Confident79.9Confident92 Ų9258.7 Ų58.760%0.59731%0.308SS*.  trans-49138.8165.2-24.733.6000110.7E1372 L1373 A1374P1370-E1372 PolarHBondContact O-N 3.48Å; P1370-L1373 PolarHBondContact O-N 3.36Å; P1370-A1374 PolarHBondContact O-N 2.77Å
1371I74Confident79.8Confident78 Ų7857.1 Ų57.140%0.430%0.302SS..Hα-helixtrans-51-35.8-169.5-63.9172.3000112.1N1340 D1369 N1375N1340-I1371 HydrophobicContact CB-CD1 4.31Å; D1369-I1371 PolarHBondContact O-N 2.82Å; I1371-N1375 WeakPolarHBondContact O-CB 3.01Å; I1371-N1375 PolarHBondContact O-N 3.41Å; I1371-N1375 PolarHBondContact O-OD1 3.49Å
1372E73.6Confident79.8Confident113 Ų11356.3 Ų56.353%0.52830%0.297SS..Hα-helixtrans-68.5-44.7179-56-173.9152.500113.5P1370 N1375 T1376 T1401P1370-E1372 PolarHBondContact O-N 3.48Å; E1372-N1375 PolarHBondContact O-N 3.14Å; E1372-T1376 PolarHBondContact O-N 3.42Å; E1372-T1376 PolarHBondContact O-OG1 2.96Å; E1372-T1401 HydrophobicContact CG-CG2 4.42Å; E1372-T1401 WeakPolarHBondContact CG-OG1 3.5Å; E1372-T1401 WeakPolarHBondContact OE1-CB 3.29Å; E1372-T1401 PolarHBondContact OE1-OG1 2.86Å
1373L82.5Confident79.8Confident81 Ų8159.2 Ų59.242%0.42430%0.304SS..Hα-helixtrans-66.3-42.7176.2179.962.5000110.2D1369 P1370 N1375 T1376 K1377D1369-L1373 HydrophobicContact CB-CB 4.31Å; D1369-L1373 HydrophobicContact CB-CD2 4.17Å; D1369-L1373 HydrophobicContact CB-CG 4.32Å; P1370-L1373 PolarHBondContact O-N 3.36Å; L1373-N1375 PolarHBondContact O-N 3.46Å; L1373-T1376 PolarHBondContact O-N 2.78Å; L1373-K1377 HydrophobicContact CG-CD 4.49Å; L1373-K1377 WeakPolarHBondContact O-CG 3.31Å; L1373-K1377 PolarHBondContact O-N 2.9Å
1374A79.8Confident79.8Confident0 Ų063.2 Ų63.20%032%0.317CS..Hα-helixtrans-61.5-41.9174.400000112.5Y1366 D1369 P1370 T1376 L1378Y1366-A1374 WeakPolarHBondContact O-CB 3.46Å; D1369-A1374 HydrophobicContact CB-CB 4.07Å; P1370-A1374 PolarHBondContact O-N 2.77Å; A1374-T1376 VanDerWaalsContact C-N 3.31Å; A1374-T1376 PolarHBondContact O-N 3.49Å; A1374-L1378 WeakPolarHBondContact O-CB 3.28Å; A1374-L1378 PolarHBondContact O-N 3.2Å
1375N81.3Confident79.7Confident14 Ų1459.7 Ų59.78%0.07530%0.3CS..Hα-helixtrans-60.4-42.4173.8-77.6-0.3000111R1360 I1371 E1372 L1373 R1379 P1399R1360-N1375 PolarHBondContact NH1-OD1 3.47Å; I1371-N1375 WeakPolarHBondContact O-CB 3.01Å; I1371-N1375 PolarHBondContact O-N 3.41Å; I1371-N1375 PolarHBondContact O-OD1 3.49Å; E1372-N1375 PolarHBondContact O-N 3.14Å; L1373-N1375 PolarHBondContact O-N 3.46Å; N1375-R1379 WeakPolarHBondContact O-CB 3.45Å; N1375-R1379 PolarHBondContact O-N 2.74Å; N1375-P1399 PolarHBondContact ND2-O 3.31Å
1376T82.7Confident79.9Confident72 Ų7261.1 Ų61.144%0.44231%0.305SS..Hα-helixtrans-68.3-45.4-179.2-560000111.9E1372 L1373 A1374 R1379 S1380E1372-T1376 PolarHBondContact O-N 3.42Å; E1372-T1376 PolarHBondContact O-OG1 2.96Å; L1373-T1376 PolarHBondContact O-N 2.78Å; A1374-T1376 VanDerWaalsContact C-N 3.31Å; A1374-T1376 PolarHBondContact O-N 3.49Å; T1376-R1379 PolarHBondContact O-N 2.98Å; T1376-S1380 PolarHBondContact O-N 3.33Å
1377K84.6Confident79.9Confident79 Ų7967.4 Ų67.434%0.34333%0.333SS..Hα-helixtrans-60-51.3174.7-74.6-178.3-177.6173.50110.8Y1366 D1369 L1373 R1379 S1380 F1381Y1366-K1377 HydrophobicContact CD1-CB 4.48Å; Y1366-K1377 HydrophobicContact CD1-CD 4.26Å; Y1366-K1377 HydrophobicContact CE1-CB 4.39Å; Y1366-K1377 HydrophobicContact CE1-CD 4.33Å; D1369-K1377 IonicContact OD1-NZ 3.79Å; D1369-K1377 PolarHBondContact OD1-NZ 2.86Å; D1369-K1377 WeakPolarHBondContact OD2-CD 3.03Å; D1369-K1377 WeakPolarHBondContact OD2-CE 3.28Å; D1369-K1377 IonicContact OD2-NZ 2.66Å; D1369-K1377 PolarHBondContact OD2-NZ 3.36Å; L1373-K1377 HydrophobicContact CG-CD 4.49Å; L1373-K1377 WeakPolarHBondContact O-CG 3.31Å; L1373-K1377 PolarHBondContact O-N 2.9Å; K1377-R1379 VanDerWaalsContact C-N 3.32Å; K1377-R1379 PolarHBondContact O-N 3.25Å; K1377-S1380 PolarHBondContact O-N 3.5Å; K1377-S1380 VanDerWaalsContact O-N 3.13Å; K1377-S1380 PolarHBondContact O-OG 2.95Å; K1377-F1381 PolarHBondContact O-N 2.77Å
1378L83.7Confident80.3Confident4 Ų476.3 Ų76.32%0.02136%0.357CS..Hα-helixtrans-61.2-40.1179.3-175.360.8000111.9I993 I1365 Y1366 A1374 F1381 I1382 L1398I993-L1378 HydrophobicContact CD1-CD1 4.18Å; I1365-L1378 HydrophobicContact CG2-CD1 4.26Å; Y1366-L1378 HydrophobicContact CD2-CB 4.11Å; Y1366-L1378 HydrophobicContact CD2-CD1 4.2Å; Y1366-L1378 HydrophobicContact CE2-CB 4.38Å; Y1366-L1378 HydrophobicContact CE2-CD1 4.09Å; A1374-L1378 WeakPolarHBondContact O-CB 3.28Å; A1374-L1378 PolarHBondContact O-N 3.2Å; L1378-F1381 PolarHBondContact O-N 3.21Å; L1378-I1382 HydrophobicContact CD1-CD1 4.18Å; L1378-I1382 HydrophobicContact CD1-CG1 4.31Å; L1378-I1382 HydrophobicContact CG-CD1 3.93Å; L1378-I1382 HydrophobicContact CG-CG1 4.46Å; L1378-I1382 WeakPolarHBondContact O-CB 3.46Å; L1378-I1382 VanDerWaalsContact O-CG1 3.3Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.45Å; L1378-I1382 PolarHBondContact O-N 3.45Å; L1378-L1398 HydrophobicContact CB-CD1 4.41Å; L1378-L1398 HydrophobicContact CD2-CD1 3.91Å; L1378-L1398 HydrophobicContact CD2-CD2 4.05Å; L1378-L1398 HydrophobicContact CG-CD1 3.97Å
1379R84.9Confident80.7Confident29 Ų2968.3 Ų68.311%0.10932%0.322CS..Hα-helixtrans-60.5-45.1174.4-174.8-173.1177.7128-4.5111.8N1375 T1376 K1377 F1381 R1383 L1394 D1395 L1400N1375-R1379 WeakPolarHBondContact O-CB 3.45Å; N1375-R1379 PolarHBondContact O-N 2.74Å; T1376-R1379 PolarHBondContact O-N 2.98Å; K1377-R1379 VanDerWaalsContact C-N 3.32Å; K1377-R1379 PolarHBondContact O-N 3.25Å; R1379-F1381 VanDerWaalsContact C-N 3.33Å; R1379-R1383 WeakPolarHBondContact O-CG 3.44Å; R1379-R1383 PolarHBondContact O-N 3.07Å; R1379-R1383 VanDerWaalsContact O-N 3.13Å; R1379-L1394 HydrophobicContact CB-CD2 4.39Å; R1379-L1394 HydrophobicContact CG-CD2 3.38Å; R1379-L1394 HydrophobicContact CG-CG 3.9Å; R1379-D1395 IonicContact CZ-OD1 2.71Å; R1379-D1395 IonicContact NH1-OD1 3.74Å; R1379-D1395 PolarHBondContact NH1-OD1 3.32Å; R1379-D1395 IonicContact NH2-OD1 3.75Å; R1379-D1395 PolarHBondContact NH2-OD1 3.22Å; R1379-D1395 IonicContact NH2-OD2 3.32Å; R1379-L1400 VanDerWaalsContact NH1-CG 3.28Å
1380S83.4Confident81.2Confident56 Ų5668.9 Ų68.939%0.39233%0.33SS..Hα-helixtrans-64.6-39.917880.50000111.7T1376 K1377 R1384T1376-S1380 PolarHBondContact O-N 3.33Å; K1377-S1380 PolarHBondContact O-N 3.5Å; K1377-S1380 VanDerWaalsContact O-N 3.13Å; K1377-S1380 PolarHBondContact O-OG 2.95Å; S1380-R1384 PolarHBondContact O-N 3.38Å; S1380-R1384 VanDerWaalsContact O-N 3.1Å
1381F84Confident81.2Confident4 Ų467.9 Ų67.92%0.01832%0.323CS..Hα-helixtrans-64.7-49.7176.3178-93000111.5E984 L985 K1377 L1378 R1379 R1383 R1384 V1385 W1386E984-F1381 HydrophobicContact CB-CE2 4.3Å; L985-F1381 HydrophobicContact CB-CE1 4.21Å; L985-F1381 HydrophobicContact CB-CE2 4.29Å; L985-F1381 HydrophobicContact CB-CZ 3.72Å; L985-F1381 HydrophobicContact CD1-CD1 3.94Å; L985-F1381 HydrophobicContact CD1-CD2 3.8Å; L985-F1381 HydrophobicContact CD1-CE1 3.76Å; L985-F1381 HydrophobicContact CD1-CE2 3.6Å; L985-F1381 HydrophobicContact CD1-CG 3.97Å; L985-F1381 HydrophobicContact CD1-CZ 3.59Å; L985-F1381 HydrophobicContact CD2-CD1 4.16Å; L985-F1381 HydrophobicContact CD2-CE1 3.65Å; L985-F1381 HydrophobicContact CD2-CZ 4.04Å; L985-F1381 HydrophobicContact CG-CE1 4.07Å; L985-F1381 HydrophobicContact CG-CE2 4.42Å; L985-F1381 HydrophobicContact CG-CZ 3.96Å; K1377-F1381 PolarHBondContact O-N 2.77Å; L1378-F1381 PolarHBondContact O-N 3.21Å; R1379-F1381 VanDerWaalsContact C-N 3.33Å; F1381-R1383 VanDerWaalsContact C-N 3.28Å; F1381-R1383 PolarHBondContact O-N 3.25Å; F1381-R1384 WeakPolarHBondContact O-CB 3.47Å; F1381-R1384 PolarHBondContact O-N 3.43Å; F1381-V1385 HydrophobicContact CD1-CG2 4.44Å; F1381-V1385 HydrophobicContact CD2-CG2 4.4Å; F1381-V1385 HydrophobicContact CE1-CG2 3.9Å; F1381-V1385 HydrophobicContact CE2-CG2 3.86Å; F1381-V1385 HydrophobicContact CZ-CG2 3.58Å; F1381-V1385 PolarHBondContact O-N 2.72Å; F1381-W1386 HydrophobicContact CD1-CZ3 4.4Å; F1381-W1386 HydrophobicContact CE1-CH2 4.36Å; F1381-W1386 AromaticContact CE1-CZ3 3.94Å; F1381-W1386 HydrophobicContact CE1-CZ3 3.94Å
1382I84.7Confident81.4Confident0 Ų071.5 Ų71.50%034%0.338CS..Hα-helixtrans-59-40.2179.6-70.8169.6000111I993 L997 L1378 W1386 L1394 L1398I993-I1382 HydrophobicContact CG2-CD1 4.43Å; I993-I1382 HydrophobicContact CG2-CG1 4.35Å; L997-I1382 HydrophobicContact CD1-CG2 4.15Å; L1378-I1382 HydrophobicContact CD1-CD1 4.18Å; L1378-I1382 HydrophobicContact CD1-CG1 4.31Å; L1378-I1382 HydrophobicContact CG-CD1 3.93Å; L1378-I1382 HydrophobicContact CG-CG1 4.46Å; L1378-I1382 WeakPolarHBondContact O-CB 3.46Å; L1378-I1382 VanDerWaalsContact O-CG1 3.3Å; L1378-I1382 WeakPolarHBondContact O-CG1 3.45Å; L1378-I1382 PolarHBondContact O-N 3.45Å; I1382-W1386 HydrophobicContact CB-CE3 4.34Å; I1382-W1386 HydrophobicContact CG1-CE3 4.35Å; I1382-W1386 HydrophobicContact CG1-CZ3 4.25Å; I1382-W1386 HydrophobicContact CG2-CE3 4.13Å; I1382-W1386 CarbonylContact O-C 3.59Å; I1382-W1386 WeakPolarHBondContact O-CA 3.46Å; I1382-W1386 PolarHBondContact O-N 3.17Å; I1382-L1394 HydrophobicContact CB-CD1 4.36Å; I1382-L1394 HydrophobicContact CD1-CD1 4.13Å; I1382-L1394 HydrophobicContact CG2-CD1 3.96Å; I1382-L1398 HydrophobicContact CD1-CD1 3.83Å
1383R83.9Confident81.9Confident105 Ų10568.1 Ų68.140%0.39632%0.322SS..Hα-helixtrans-68.2-32.6176.2-76.1-177.7175.6169.61.3113.6R1379 F1381 L1394R1379-R1383 WeakPolarHBondContact O-CG 3.44Å; R1379-R1383 PolarHBondContact O-N 3.07Å; R1379-R1383 VanDerWaalsContact O-N 3.13Å; F1381-R1383 VanDerWaalsContact C-N 3.28Å; F1381-R1383 PolarHBondContact O-N 3.25Å; R1383-L1394 HydrophobicContact CG-CD2 3.79Å
1384R82.8Confident81.8Confident119 Ų11964.3 Ų64.345%0.44930%0.302SS..Hα-helixtrans-67.7-46178.1-163.3-173.9-56165.27.2110.7E984 S1380 F1381E984-R1384 IonicContact OE1-CZ 3.75Å; E984-R1384 IonicContact OE1-NH1 2.68Å; E984-R1384 PolarHBondContact OE1-NH1 3.44Å; E984-R1384 IonicContact OE1-NH2 3.98Å; S1380-R1384 PolarHBondContact O-N 3.38Å; S1380-R1384 VanDerWaalsContact O-N 3.1Å; F1381-R1384 WeakPolarHBondContact O-CB 3.47Å; F1381-R1384 PolarHBondContact O-N 3.43Å
1385V80.1Confident81.5Confident42 Ų4267.6 Ų67.626%0.25532%0.32SS..Hα-helixtrans-81.9-54.6-176.7-179.50000111.8F1381 K1387F1381-V1385 HydrophobicContact CD1-CG2 4.44Å; F1381-V1385 HydrophobicContact CD2-CG2 4.4Å; F1381-V1385 HydrophobicContact CE1-CG2 3.9Å; F1381-V1385 HydrophobicContact CE2-CG2 3.86Å; F1381-V1385 HydrophobicContact CZ-CG2 3.58Å; F1381-V1385 PolarHBondContact O-N 2.72Å; V1385-K1387 PolarHBondContact O-N 3.38Å
1386W84.8Confident81.2Confident36 Ų3671 Ų7114%0.13634%0.335CS..  trans-103.175.3-178.1-61.2-86.4000111.3R990 I993 E994 L997 F1381 I1382 R1388 T1389R990-W1386 HydrophobicContact CG-CH2 3.88Å; R990-W1386 HydrophobicContact CG-CZ2 3.84Å; I993-W1386 HydrophobicContact CB-CH2 4.15Å; I993-W1386 HydrophobicContact CG2-CH2 3.72Å; I993-W1386 HydrophobicContact CG2-CZ3 3.75Å; E994-W1386 HydrophobicContact CB-CZ2 3.88Å; L997-W1386 HydrophobicContact CD1-CD2 3.91Å; L997-W1386 HydrophobicContact CD1-CE3 3.97Å; L997-W1386 HydrophobicContact CD1-CG 4.2Å; L997-W1386 HydrophobicContact CD1-CZ3 4.47Å; F1381-W1386 HydrophobicContact CD1-CZ3 4.4Å; F1381-W1386 HydrophobicContact CE1-CH2 4.36Å; F1381-W1386 AromaticContact CE1-CZ3 3.94Å; F1381-W1386 HydrophobicContact CE1-CZ3 3.94Å; I1382-W1386 HydrophobicContact CB-CE3 4.34Å; I1382-W1386 HydrophobicContact CG1-CE3 4.35Å; I1382-W1386 HydrophobicContact CG1-CZ3 4.25Å; I1382-W1386 HydrophobicContact CG2-CE3 4.13Å; I1382-W1386 CarbonylContact O-C 3.59Å; I1382-W1386 WeakPolarHBondContact O-CA 3.46Å; I1382-W1386 PolarHBondContact O-N 3.17Å; W1386-R1388 PolarHBondContact O-N 2.91Å; W1386-T1389 WeakPolarHBondContact CB-OG1 3.48Å; W1386-T1389 PolarHBondContact O-N 3.1Å; W1386-T1389 VanDerWaalsContact O-N 3.08Å; W1386-T1389 PolarHBondContact O-OG1 2.96Å
1387K78.7Confident80.9Confident185 Ų18567.9 Ų67.980%0.80432%0.316SS*.THydrogen-bonded Turntrans-56.6-18.3-178.2-63.2-177.8-178.6177.50114.9V1385V1385-K1387 PolarHBondContact O-N 3.38Å
1388R77.8Confident80.6Confident250 Ų25064.5 Ų64.594%0.94330%0.301SS*.THydrogen-bonded Turntrans-87.5-9.9-178.7-67.8-176.71801700.8114.1W1386 S1390W1386-R1388 PolarHBondContact O-N 2.91Å; R1388-S1390 PolarHBondContact O-N 2.92Å
1389T79Confident79.9Confident31 Ų3166.4 Ų66.419%0.1931%0.314CS..SBendtrans-68.8122.9-178.4-51.70000110W1386 F1393W1386-T1389 WeakPolarHBondContact CB-OG1 3.48Å; W1386-T1389 PolarHBondContact O-N 3.1Å; W1386-T1389 VanDerWaalsContact O-N 3.08Å; W1386-T1389 PolarHBondContact O-OG1 2.96Å; T1389-F1393 HydrophobicContact CG2-CD1 3.82Å; T1389-F1393 HydrophobicContact CG2-CE1 4.47Å
1390S81.5Confident78.8Confident57 Ų5768.5 Ų68.540%0.39933%0.327SS..  trans-64.5143-179.164.30000110.5R1388 E1392 F1393 L1394R1388-S1390 PolarHBondContact O-N 2.92Å; S1390-E1392 PolarHBondContact O-N 3.04Å; S1390-F1393 PolarHBondContact O-N 3.07Å; S1390-F1393 WeakPolarHBondContact OG-CB 3.01Å; S1390-F1393 PolarHBondContact OG-N 2.56Å; S1390-L1394 PolarHBondContact O-N 2.88Å
1391P78.3Confident77.6Confident71 Ų7169.8 Ų69.846%0.46133%0.332SS..Hα-helixtrans-61.7-36178.724.7-33000111.6L1394 D1395P1391-L1394 WeakPolarHBondContact O-CB 3.02Å; P1391-L1394 PolarHBondContact O-N 2.81Å; P1391-D1395 PolarHBondContact O-N 3.15Å
1392E78.7Confident76Confident153 Ų15375.2 Ų75.272%0.71537%0.366SS*.Hα-helixtrans-64.1-42.3178.7-64.4172.4-178.200112.6S1390 L1394 D1395 E1396S1390-E1392 PolarHBondContact O-N 3.04Å; E1392-L1394 VanDerWaalsContact C-N 3.29Å; E1392-L1394 PolarHBondContact O-N 2.91Å; E1392-D1395 WeakPolarHBondContact O-CB 3.26Å; E1392-D1395 PolarHBondContact O-N 3.16Å; E1392-E1396 PolarHBondContact O-N 3.37Å
1393F82.6Confident74.5Confident43 Ų4377.6 Ų77.619%0.18939%0.39CS..Hα-helixtrans-66.1-35.6175.4-179.2-111.9000111.6L997 H1352 T1389 S1390 D1395 E1396 I1397L997-F1393 HydrophobicContact CD2-CE1 3.98Å; H1352-F1393 HydrophobicContact CB-CZ 4.5Å; H1352-F1393 AromaticContact CD2-CE2 3.6Å; H1352-F1393 AromaticContact CD2-CZ 3.9Å; H1352-F1393 AromaticContact CE1-CZ 3.71Å; H1352-F1393 AromaticContact CG-CE2 3.95Å; H1352-F1393 AromaticContact CG-CZ 3.87Å; H1352-F1393 AromaticContact ND1-CZ 3.79Å; H1352-F1393 AromaticContact NE2-CE2 3.74Å; H1352-F1393 AromaticContact NE2-CZ 3.82Å; T1389-F1393 HydrophobicContact CG2-CD1 3.82Å; T1389-F1393 HydrophobicContact CG2-CE1 4.47Å; S1390-F1393 PolarHBondContact O-N 3.07Å; S1390-F1393 WeakPolarHBondContact OG-CB 3.01Å; S1390-F1393 PolarHBondContact OG-N 2.56Å; F1393-D1395 VanDerWaalsContact C-N 3.32Å; F1393-E1396 PolarHBondContact O-N 3.32Å; F1393-I1397 HydrophobicContact CD1-CD1 3.58Å; F1393-I1397 HydrophobicContact CD2-CD1 3.96Å; F1393-I1397 HydrophobicContact CE1-CD1 3.22Å; F1393-I1397 HydrophobicContact CE2-CD1 3.63Å; F1393-I1397 HydrophobicContact CE2-CG1 4.48Å; F1393-I1397 HydrophobicContact CG-CD1 3.97Å; F1393-I1397 HydrophobicContact CZ-CD1 3.28Å; F1393-I1397 VanDerWaalsContact O-CG1 3.27Å; F1393-I1397 WeakPolarHBondContact O-CG1 3.41Å; F1393-I1397 PolarHBondContact O-N 3.13Å; F1393-I1397 VanDerWaalsContact O-N 3.12Å
1394L80.9Confident73.1Confident1 Ų181.5 Ų81.51%0.00541%0.413CS..Hα-helixtrans-69.8-32.8175.3-163.961.7000111.8R1379 I1382 R1383 S1390 P1391 E1392 L1398R1379-L1394 HydrophobicContact CB-CD2 4.39Å; R1379-L1394 HydrophobicContact CG-CD2 3.38Å; R1379-L1394 HydrophobicContact CG-CG 3.9Å; I1382-L1394 HydrophobicContact CB-CD1 4.36Å; I1382-L1394 HydrophobicContact CD1-CD1 4.13Å; I1382-L1394 HydrophobicContact CG2-CD1 3.96Å; R1383-L1394 HydrophobicContact CG-CD2 3.79Å; S1390-L1394 PolarHBondContact O-N 2.88Å; P1391-L1394 WeakPolarHBondContact O-CB 3.02Å; P1391-L1394 PolarHBondContact O-N 2.81Å; E1392-L1394 VanDerWaalsContact C-N 3.29Å; E1392-L1394 PolarHBondContact O-N 2.91Å; L1394-L1398 HydrophobicContact CD1-CD1 4.03Å; L1394-L1398 CarbonylContact O-C 3.45Å; L1394-L1398 PolarHBondContact O-N 2.86Å
1395D74.3Confident71.9Confident69 Ų6983 Ų8337%0.36943%0.43SS..Hα-helixtrans-68.2-35.6173.6-65.2-28.3000111.7R1379 P1391 E1392 F1393R1379-D1395 IonicContact CZ-OD1 2.71Å; R1379-D1395 IonicContact NH1-OD1 3.74Å; R1379-D1395 PolarHBondContact NH1-OD1 3.32Å; R1379-D1395 IonicContact NH2-OD1 3.75Å; R1379-D1395 PolarHBondContact NH2-OD1 3.22Å; R1379-D1395 IonicContact NH2-OD2 3.32Å; P1391-D1395 PolarHBondContact O-N 3.15Å; E1392-D1395 WeakPolarHBondContact O-CB 3.26Å; E1392-D1395 PolarHBondContact O-N 3.16Å; F1393-D1395 VanDerWaalsContact C-N 3.32Å
1396E74.6Confident71.2Confident84 Ų8485.6 Ų85.639%0.39344%0.443SS..Hα-helixtrans-68-40.8175-176177.9-17700112.6E1392 F1393E1392-E1396 PolarHBondContact O-N 3.37Å; F1393-E1396 PolarHBondContact O-N 3.32Å
1397I77Confident70.5Confident8 Ų887.8 Ų87.84%0.04146%0.46CS..Hα-helixtrans-85.8-39.2-173.1-65.9173.3000112.4H1352 I1356 F1393H1352-I1397 HydrophobicContact CB-CD1 3.66Å; H1352-I1397 HydrophobicContact CB-CG1 3.74Å; I1356-I1397 HydrophobicContact CB-CG2 3.9Å; I1356-I1397 HydrophobicContact CD1-CG2 3.45Å; I1356-I1397 VanDerWaalsContact CD1-CG2 3.45Å; I1356-I1397 HydrophobicContact CG1-CG2 4.25Å; I1356-I1397 HydrophobicContact CG2-CG2 3.48Å; I1356-I1397 VanDerWaalsContact CG2-CG2 3.48Å; F1393-I1397 HydrophobicContact CD1-CD1 3.58Å; F1393-I1397 HydrophobicContact CD2-CD1 3.96Å; F1393-I1397 HydrophobicContact CE1-CD1 3.22Å; F1393-I1397 HydrophobicContact CE2-CD1 3.63Å; F1393-I1397 HydrophobicContact CE2-CG1 4.48Å; F1393-I1397 HydrophobicContact CG-CD1 3.97Å; F1393-I1397 HydrophobicContact CZ-CD1 3.28Å; F1393-I1397 VanDerWaalsContact O-CG1 3.27Å; F1393-I1397 WeakPolarHBondContact O-CG1 3.41Å; F1393-I1397 PolarHBondContact O-N 3.13Å; F1393-I1397 VanDerWaalsContact O-N 3.12Å
1398L77Confident70.4Confident7 Ų779.9 Ų79.94%0.03743%0.427CS..SBendtrans-126.179.7-178.8-68.2171.8000108.7I1356 L1378 I1382 L1394 L1400I1356-L1398 HydrophobicContact CD1-CD1 4.47Å; I1356-L1398 HydrophobicContact CD1-CD2 4.41Å; I1356-L1398 HydrophobicContact CD1-CG 4.38Å; L1378-L1398 HydrophobicContact CB-CD1 4.41Å; L1378-L1398 HydrophobicContact CD2-CD1 3.91Å; L1378-L1398 HydrophobicContact CD2-CD2 4.05Å; L1378-L1398 HydrophobicContact CG-CD1 3.97Å; I1382-L1398 HydrophobicContact CD1-CD1 3.83Å; L1394-L1398 HydrophobicContact CD1-CD1 4.03Å; L1394-L1398 CarbonylContact O-C 3.45Å; L1394-L1398 PolarHBondContact O-N 2.86Å; L1398-L1400 PolarHBondContact O-N 2.78Å
1399P69.1Low70.3Confident44 Ų4468.1 Ų68.129%0.28638%0.383SS..  trans-60.5130.7-179.623.8-32.5000110N1375N1375-P1399 PolarHBondContact ND2-O 3.31Å
1400L62.6Low70.1Confident73 Ų7366.8 Ų66.838%0.38238%0.376SS..  trans-74.2120.3157.8-66.2168.1000104.6R1379 L1398 T1402R1379-L1400 VanDerWaalsContact NH1-CG 3.28Å; L1398-L1400 PolarHBondContact O-N 2.78Å; L1400-T1402 PolarHBondContact O-N 2.9Å
1401T56.8Low70Confident83 Ų8367.7 Ų67.751%0.50937%0.372SS..  trans-57.498.1177.733.30000109.3E1372E1372-T1401 HydrophobicContact CG-CG2 4.42Å; E1372-T1401 WeakPolarHBondContact CG-OG1 3.5Å; E1372-T1401 WeakPolarHBondContact OE1-CB 3.29Å; E1372-T1401 PolarHBondContact OE1-OG1 2.86Å
1402T50.1Low70.2Confident119 Ų11968.3 Ų68.373%0.7337%0.368SS*.  trans-116.171.8174.153.40000108.3L1400L1400-T1402 PolarHBondContact O-N 2.9Å
1403G54.5Low70.3Confident49 Ų4961.5 Ų61.551%0.50534%0.336SS..  trans136.2133.8169.800000114.7D1405G1403-D1405 PolarHBondContact O-N 2.62Å
1404E54.5Low70.3Confident188 Ų18860.4 Ų60.488%0.87933%0.334SS*.THydrogen-bonded Turntrans-61.9-18.7173.9-71.4178.6153.900113D1406E1404-D1406 PolarHBondContact O-N 2.82Å
1405D58.3Low70.4Confident151 Ų15162.9 Ų62.981%0.80735%0.35SS*.THydrogen-bonded Turntrans-81.3-9.7-171.9-67.2-30.3000115.6G1403 V1407G1403-D1405 PolarHBondContact O-N 2.62Å; D1405-V1407 PolarHBondContact O-N 2.98Å
1406D63.6Low70.7Confident96 Ų9662.7 Ų62.751%0.51335%0.346SS..  trans-75.3117.3-177.2-75-19.8000111.7E1404 T1408 K1411E1404-D1406 PolarHBondContact O-N 2.82Å; D1406-T1408 PolarHBondContact O-N 2.8Å; D1406-K1411 PolarHBondContact O-NZ 3.05Å
1407V70.4Confident71.1Confident82 Ų8260.4 Ų60.450%0.49734%0.336SS..  trans-77.5114.6174.4-178.40000108.8L1343 D1405L1343-V1407 WeakPolarHBondContact CB-O 3.37Å; L1343-V1407 HydrophobicContact CD2-CG1 4.19Å; L1343-V1407 PolarHBondContact N-O 2.96Å; D1405-V1407 PolarHBondContact O-N 2.98Å
1408T76Confident71.3Confident19 Ų1964.7 Ų64.712%0.11736%0.358CS..BIsolated β-bridgetrans-94.9153.9172.472.10000110.9N1340 M1341 D1406 G1410 K1411 F1412N1340-T1408 WeakPolarHBondContact OD1-CB 3.28Å; N1340-T1408 WeakPolarHBondContact OD1-CG2 3.47Å; N1340-T1408 PolarHBondContact OD1-OG1 3.4Å; M1341-T1408 WeakPolarHBondContact O-CA 3.19Å; M1341-T1408 WeakPolarHBondContact O-CB 3.36Å; D1406-T1408 PolarHBondContact O-N 2.8Å; T1408-G1410 PolarHBondContact O-N 3.4Å; T1408-K1411 PolarHBondContact O-N 3.27Å; T1408-K1411 VanDerWaalsContact O-N 3.07Å; T1408-K1411 WeakPolarHBondContact OG1-CG 3.09Å; T1408-K1411 PolarHBondContact OG1-N 3Å; T1408-F1412 PolarHBondContact O-N 3.29Å
1409V76.1Confident71.6Confident2 Ų270.1 Ų70.11%0.01238%0.383CS..Hα-helixtrans-55.9-34.1173.2176.90000110.5M1341 L1343 V1349 F1412 Y1413M1341-V1409 HydrophobicContact CB-CB 4.42Å; M1341-V1409 HydrophobicContact CB-CG2 4.2Å; M1341-V1409 HydrophobicContact CE-CB 4.13Å; M1341-V1409 HydrophobicContact CE-CG1 3.92Å; M1341-V1409 HydrophobicContact CE-CG2 4.28Å; M1341-V1409 PolarHBondContact O-N 3.15Å; L1343-V1409 HydrophobicContact CD1-CG2 4.21Å; V1349-V1409 HydrophobicContact CG2-CG2 3.77Å; V1409-F1412 PolarHBondContact O-N 3.07Å; V1409-Y1413 HydrophobicContact CG1-CD2 3.6Å; V1409-Y1413 HydrophobicContact CG1-CE2 3.69Å; V1409-Y1413 WeakPolarHBondContact O-CD2 3.37Å; V1409-Y1413 PolarHBondContact O-N 3.49Å
1410G76.1Confident72Confident4 Ų468.9 Ų68.94%0.04137%0.374CS..Hα-helixtrans-63.5-45.2175.600000113T1408 F1412 Y1413 A1414T1408-G1410 PolarHBondContact O-N 3.4Å; G1410-F1412 VanDerWaalsContact C-N 3.32Å; G1410-F1412 PolarHBondContact O-N 3.39Å; G1410-Y1413 PolarHBondContact O-N 3.35Å; G1410-A1414 WeakPolarHBondContact O-CB 3.43Å; G1410-A1414 PolarHBondContact O-N 3.5Å
1411K79.5Confident72.7Confident75 Ų7572.3 Ų72.333%0.32638%0.383SS..Hα-helixtrans-59.2-42.5174.5-69.1-180-179.9173.60111.4D1406 T1408 T1415 F1518D1406-K1411 PolarHBondContact O-NZ 3.05Å; T1408-K1411 PolarHBondContact O-N 3.27Å; T1408-K1411 VanDerWaalsContact O-N 3.07Å; T1408-K1411 WeakPolarHBondContact OG1-CG 3.09Å; T1408-K1411 PolarHBondContact OG1-N 3Å; K1411-T1415 WeakPolarHBondContact O-CB 3.29Å; K1411-T1415 WeakPolarHBondContact O-CG2 3.17Å; K1411-T1415 PolarHBondContact O-N 3.02Å; K1411-T1415 PolarHBondContact O-OG1 3.12Å; K1411-F1518 HydrophobicContact CB-CZ 4.09Å; K1411-F1518 HydrophobicContact CD-CZ 4.42Å; K1411-F1518 HydrophobicContact CG-CE2 3.97Å; K1411-F1518 HydrophobicContact CG-CZ 3.82Å
1412F80.6Confident73.8Confident85 Ų8574.6 Ų74.637%0.37339%0.386SS..Hα-helixtrans-63.9-48.6177.7-177.3-92.8000113.4H1307 T1408 V1409 G1410 T1415 F1416H1307-F1412 AromaticContact CD2-CE1 3.95Å; H1307-F1412 AromaticContact NE2-CE1 3.91Å; H1307-F1412 AromaticContact NE2-CZ 3.86Å; T1408-F1412 PolarHBondContact O-N 3.29Å; V1409-F1412 PolarHBondContact O-N 3.07Å; G1410-F1412 VanDerWaalsContact C-N 3.32Å; G1410-F1412 PolarHBondContact O-N 3.39Å; F1412-T1415 WeakPolarHBondContact CA-OG1 3.42Å; F1412-T1415 PolarHBondContact O-OG1 3.43Å; F1412-F1416 WeakPolarHBondContact O-CB 3.45Å; F1412-F1416 PolarHBondContact O-N 3.48Å
1413Y81.4Confident75.1Confident10 Ų1073.1 Ų73.14%0.03937%0.373CS..Hα-helixtrans-74.2-27.9178.2-79.7-75.3000113H1307 C1333 L1336 V1409 G1410 L1417H1307-Y1413 PolarHBondContact O-OH 3.08Å; C1333-Y1413 HydrophobicContact CB-CD1 4.32Å; L1336-Y1413 HydrophobicContact CB-CD2 4.32Å; L1336-Y1413 HydrophobicContact CD1-CD2 4.29Å; L1336-Y1413 HydrophobicContact CD1-CE2 3.98Å; V1409-Y1413 HydrophobicContact CG1-CD2 3.6Å; V1409-Y1413 HydrophobicContact CG1-CE2 3.69Å; V1409-Y1413 WeakPolarHBondContact O-CD2 3.37Å; V1409-Y1413 PolarHBondContact O-N 3.49Å; G1410-Y1413 PolarHBondContact O-N 3.35Å; Y1413-L1417 WeakPolarHBondContact O-CB 3.44Å; Y1413-L1417 WeakPolarHBondContact O-CG 3.41Å; Y1413-L1417 PolarHBondContact O-N 3.14Å
1414A82.5Confident76.1Confident19 Ų1975.7 Ų75.716%0.15737%0.368CS..Hα-helixtrans-65.8-49.5172.900000110.8I1337 G1410 F1416 L1417 I1418I1337-A1414 HydrophobicContact CD1-CB 3.98Å; I1337-A1414 HydrophobicContact CG1-CB 4.28Å; I1337-A1414 HydrophobicContact CG2-CB 4.45Å; G1410-A1414 WeakPolarHBondContact O-CB 3.43Å; G1410-A1414 PolarHBondContact O-N 3.5Å; A1414-F1416 VanDerWaalsContact C-N 3.32Å; A1414-F1416 PolarHBondContact O-N 2.96Å; A1414-L1417 PolarHBondContact O-N 3.04Å; A1414-I1418 WeakPolarHBondContact O-CB 3.38Å; A1414-I1418 WeakPolarHBondContact O-CD1 3.31Å; A1414-I1418 WeakPolarHBondContact O-CG1 3.42Å; A1414-I1418 PolarHBondContact O-N 3.29Å
1415T83.5Confident77.1Confident54 Ų5470.8 Ų70.833%0.33134%0.344SS..Hα-helixtrans-58.8-42.7173.649.30000111.6K1411 F1412 I1418 Q1419 F1518K1411-T1415 WeakPolarHBondContact O-CB 3.29Å; K1411-T1415 WeakPolarHBondContact O-CG2 3.17Å; K1411-T1415 PolarHBondContact O-N 3.02Å; K1411-T1415 PolarHBondContact O-OG1 3.12Å; F1412-T1415 WeakPolarHBondContact CA-OG1 3.42Å; F1412-T1415 PolarHBondContact O-OG1 3.43Å; T1415-I1418 PolarHBondContact O-N 3.29Å; T1415-Q1419 WeakPolarHBondContact O-CB 2.98Å; T1415-Q1419 VanDerWaalsContact O-CG 3.26Å; T1415-Q1419 WeakPolarHBondContact O-CG 3.36Å; T1415-Q1419 PolarHBondContact O-N 3.27Å; T1415-F1518 HydrophobicContact CG2-CE1 4.23Å
1416F80.9Confident78.1Confident65 Ų6569.4 Ų69.429%0.28533%0.33SS..Hα-helixtrans-59-46.2173.3176.9-96.5000112.9F1412 A1414 Q1419 D1420 W1474F1412-F1416 WeakPolarHBondContact O-CB 3.45Å; F1412-F1416 PolarHBondContact O-N 3.48Å; A1414-F1416 VanDerWaalsContact C-N 3.32Å; A1414-F1416 PolarHBondContact O-N 2.96Å; F1416-Q1419 PolarHBondContact O-N 2.82Å; F1416-D1420 WeakPolarHBondContact O-CB 3.48Å; F1416-D1420 PolarHBondContact O-N 3.15Å; F1416-W1474 HydrophobicContact CZ-CH2 4.45Å; F1416-W1474 HydrophobicContact CZ-CZ2 4.08Å
1417L82Confident78.6Confident36 Ų3671.1 Ų71.119%0.18833%0.33CS..Hα-helixtrans-67.4-36.6178-77.4179.5000112.5R1330 C1333 I1337 Y1413 A1414 Y1421R1330-L1417 HydrophobicContact CG-CD2 4.41Å; C1333-L1417 HydrophobicContact CB-CD1 4.03Å; C1333-L1417 HydrophobicContact CB-CD2 4.14Å; C1333-L1417 HydrophobicContact CB-CG 4.2Å; I1337-L1417 HydrophobicContact CD1-CD1 3.45Å; I1337-L1417 VanDerWaalsContact CD1-CD1 3.45Å; I1337-L1417 HydrophobicContact CD1-CG 4.41Å; Y1413-L1417 WeakPolarHBondContact O-CB 3.44Å; Y1413-L1417 WeakPolarHBondContact O-CG 3.41Å; Y1413-L1417 PolarHBondContact O-N 3.14Å; A1414-L1417 PolarHBondContact O-N 3.04Å; L1417-Y1421 WeakPolarHBondContact O-CB 3.22Å; L1417-Y1421 PolarHBondContact O-N 3.18Å
1418I82.7Confident78.6Confident97 Ų9775.1 Ų75.150%0.49734%0.336SS..Hα-helixtrans-65.3-45.2174.7-68.7164.1000109.7A1414 T1415 Y1421 F1422A1414-I1418 WeakPolarHBondContact O-CB 3.38Å; A1414-I1418 WeakPolarHBondContact O-CD1 3.31Å; A1414-I1418 WeakPolarHBondContact O-CG1 3.42Å; A1414-I1418 PolarHBondContact O-N 3.29Å; T1415-I1418 PolarHBondContact O-N 3.29Å; I1418-Y1421 PolarHBondContact O-N 3.06Å; I1418-F1422 VanDerWaalsContact O-CB 3.32Å; I1418-F1422 WeakPolarHBondContact O-CB 3.36Å; I1418-F1422 PolarHBondContact O-N 3.16Å
1419Q83Confident78.6Confident122 Ų12279.4 Ų79.457%0.5735%0.353SS*.Hα-helixtrans-62.3-45.7175.3-75.2177.5-1.300111.9T1415 F1416 F1422 L1423T1415-Q1419 WeakPolarHBondContact O-CB 2.98Å; T1415-Q1419 VanDerWaalsContact O-CG 3.26Å; T1415-Q1419 WeakPolarHBondContact O-CG 3.36Å; T1415-Q1419 PolarHBondContact O-N 3.27Å; F1416-Q1419 PolarHBondContact O-N 2.82Å; Q1419-F1422 PolarHBondContact O-N 3.1Å; Q1419-L1423 VanDerWaalsContact O-CB 3.3Å; Q1419-L1423 WeakPolarHBondContact O-CB 3.44Å; Q1419-L1423 WeakPolarHBondContact O-CD1 3.44Å; Q1419-L1423 VanDerWaalsContact O-CG 3.27Å; Q1419-L1423 WeakPolarHBondContact O-CG 3.47Å; Q1419-L1423 PolarHBondContact O-N 3.44Å
1420D76.9Confident78.3Confident18 Ų1883.5 Ų83.510%0.09637%0.374CS..Hα-helixtrans-64.1-41.4176.2-174.740.2000111.1F1416 L1423 R1424F1416-D1420 WeakPolarHBondContact O-CB 3.48Å; F1416-D1420 PolarHBondContact O-N 3.15Å; D1420-L1423 PolarHBondContact O-N 3.3Å; D1420-R1424 VanDerWaalsContact O-CB 3.32Å; D1420-R1424 WeakPolarHBondContact O-CB 3.22Å; D1420-R1424 WeakPolarHBondContact O-CG 3.42Å; D1420-R1424 PolarHBondContact O-N 3.15Å; D1420-R1424 IonicContact OD1-NE 3.41Å; D1420-R1424 PolarHBondContact OD1-NE 3.38Å; D1420-R1424 IonicContact OD1-NH2 2.67Å; D1420-R1424 IonicContact OD2-CZ 3.8Å; D1420-R1424 IonicContact OD2-NE 3.74Å; D1420-R1424 PolarHBondContact OD2-NE 3.25Å; D1420-R1424 IonicContact OD2-NH2 2.64Å; D1420-R1424 PolarHBondContact OD2-NH2 3Å
1421Y77.6Confident77.8Confident145 Ų14591.7 Ų91.757%0.56940%0.404SS*.Hα-helixtrans-61.3-46.3174-175.6-91.3000111.4L1417 I1418 R1424 F1425L1417-Y1421 WeakPolarHBondContact O-CB 3.22Å; L1417-Y1421 PolarHBondContact O-N 3.18Å; I1418-Y1421 PolarHBondContact O-N 3.06Å; Y1421-R1424 CarbonylContact O-C 3.45Å; Y1421-R1424 PolarHBondContact O-N 3.46Å; Y1421-F1425 VanDerWaalsContact O-CB 3.29Å; Y1421-F1425 WeakPolarHBondContact O-CB 3.45Å; Y1421-F1425 PolarHBondContact O-N 3.33Å
1422F80.4Confident77Confident130 Ų13093.5 Ų93.557%0.5741%0.414SS*.Hα-helixtrans-64.2-41.4177.4-171-99.2000111.8I1418 Q1419 F1425 K1426I1418-F1422 VanDerWaalsContact O-CB 3.32Å; I1418-F1422 WeakPolarHBondContact O-CB 3.36Å; I1418-F1422 PolarHBondContact O-N 3.16Å; Q1419-F1422 PolarHBondContact O-N 3.1Å; F1422-F1425 PolarHBondContact O-N 2.83Å; F1422-K1426 VanDerWaalsContact O-CB 3.24Å; F1422-K1426 WeakPolarHBondContact O-CB 3.27Å; F1422-K1426 PolarHBondContact O-N 3.12Å
1423L77.5Confident76.1Confident89 Ų8997 Ų9747%0.46643%0.429SS..Hα-helixtrans-63.8-39.2173.9-78.4163.4000112.1Q1419 D1420 R1427Q1419-L1423 VanDerWaalsContact O-CB 3.3Å; Q1419-L1423 WeakPolarHBondContact O-CB 3.44Å; Q1419-L1423 WeakPolarHBondContact O-CD1 3.44Å; Q1419-L1423 VanDerWaalsContact O-CG 3.27Å; Q1419-L1423 WeakPolarHBondContact O-CG 3.47Å; Q1419-L1423 PolarHBondContact O-N 3.44Å; D1420-L1423 PolarHBondContact O-N 3.3Å; L1423-R1427 VanDerWaalsContact O-CB 3.31Å; L1423-R1427 WeakPolarHBondContact O-CB 3.14Å; L1423-R1427 PolarHBondContact O-N 3.48Å
1424R74.5Confident75.1Confident102 Ų102102.3 Ų102.339%0.38545%0.452SS..Hα-helixtrans-70.2-39.4174.4-74.1176.5-165.8-142.57.9112D1420 Y1421 R1427 R1428D1420-R1424 VanDerWaalsContact O-CB 3.32Å; D1420-R1424 WeakPolarHBondContact O-CB 3.22Å; D1420-R1424 WeakPolarHBondContact O-CG 3.42Å; D1420-R1424 PolarHBondContact O-N 3.15Å; D1420-R1424 IonicContact OD1-NE 3.41Å; D1420-R1424 PolarHBondContact OD1-NE 3.38Å; D1420-R1424 IonicContact OD1-NH2 2.67Å; D1420-R1424 IonicContact OD2-CZ 3.8Å; D1420-R1424 IonicContact OD2-NE 3.74Å; D1420-R1424 PolarHBondContact OD2-NE 3.25Å; D1420-R1424 IonicContact OD2-NH2 2.64Å; D1420-R1424 PolarHBondContact OD2-NH2 3Å; Y1421-R1424 CarbonylContact O-C 3.45Å; Y1421-R1424 PolarHBondContact O-N 3.46Å; R1424-R1427 CarbonylContact O-C 3.51Å; R1424-R1427 PolarHBondContact O-N 3.26Å; R1424-R1428 WeakPolarHBondContact O-CB 3.28Å; R1424-R1428 WeakPolarHBondContact O-CG 3.25Å; R1424-R1428 PolarHBondContact O-N 3.32Å
1425F75.9Confident73.5Confident86 Ų86110.3 Ų110.338%0.37748%0.478SS..Hα-helixtrans-65.4-45.6175.2178.8-102.5000110.8Y1421 F1422 R1428 K1429Y1421-F1425 VanDerWaalsContact O-CB 3.29Å; Y1421-F1425 WeakPolarHBondContact O-CB 3.45Å; Y1421-F1425 PolarHBondContact O-N 3.33Å; F1422-F1425 PolarHBondContact O-N 2.83Å; F1425-R1428 PolarHBondContact O-N 3.38Å; F1425-K1429 HydrophobicContact CD1-CD 4.43Å; F1425-K1429 HydrophobicContact CE1-CD 3.75Å; F1425-K1429 HydrophobicContact CE1-CG 4.42Å; F1425-K1429 HydrophobicContact CZ-CD 3.84Å; F1425-K1429 HydrophobicContact CZ-CG 4.37Å; F1425-K1429 PolarHBondContact O-N 3.41Å
1426K78.1Confident71.8Confident121 Ų121116 Ų11653%0.52650%0.499SS..Hα-helixtrans-61.2-44173.4-170176.3-178.8178.60111F1422 L1430F1422-K1426 VanDerWaalsContact O-CB 3.24Å; F1422-K1426 WeakPolarHBondContact O-CB 3.27Å; F1422-K1426 PolarHBondContact O-N 3.12Å; K1426-L1430 HydrophobicContact CG-CD1 4.17Å; K1426-L1430 WeakPolarHBondContact O-CB 3.5Å; K1426-L1430 WeakPolarHBondContact O-CD1 3.29Å; K1426-L1430 WeakPolarHBondContact O-CG 3.35Å; K1426-L1430 PolarHBondContact O-N 3.36Å
1427R74.5Confident70.4Confident132 Ų132118.2 Ų118.250%0.49851%0.509SS..Hα-helixtrans-62-46.3172.5-91.5-174.8-91.5-175.5-6.3111.9L1423 R1424 L1430 W1431L1423-R1427 VanDerWaalsContact O-CB 3.31Å; L1423-R1427 WeakPolarHBondContact O-CB 3.14Å; L1423-R1427 PolarHBondContact O-N 3.48Å; R1424-R1427 CarbonylContact O-C 3.51Å; R1424-R1427 PolarHBondContact O-N 3.26Å; R1427-L1430 CarbonylContact O-C 3.49Å; R1427-L1430 WeakPolarHBondContact O-CB 3.12Å; R1427-L1430 PolarHBondContact O-N 3.16Å; R1427-W1431 WeakPolarHBondContact O-CB 2.91Å; R1427-W1431 PolarHBondContact O-N 2.7Å
1428R71.7Confident68.8Low166 Ų166119.3 Ų119.363%0.62652%0.515SS*.Hα-helixtrans-61.5-45.2176.4-82.6-174.5-160.1169.84.5112.1R1424 F1425 L1430 W1431 E1432R1424-R1428 WeakPolarHBondContact O-CB 3.28Å; R1424-R1428 WeakPolarHBondContact O-CG 3.25Å; R1424-R1428 PolarHBondContact O-N 3.32Å; F1425-R1428 PolarHBondContact O-N 3.38Å; R1428-L1430 VanDerWaalsContact C-N 3.3Å; R1428-L1430 PolarHBondContact O-N 3.36Å; R1428-W1431 CarbonylContact O-C 3.39Å; R1428-W1431 PolarHBondContact O-N 3.16Å; R1428-W1431 VanDerWaalsContact O-N 3.14Å; R1428-E1432 WeakPolarHBondContact O-CB 3.47Å; R1428-E1432 WeakPolarHBondContact O-CG 3.16Å; R1428-E1432 PolarHBondContact O-N 3.02Å
1429K74.1Confident66.9Low110 Ų110120.5 Ų120.548%0.47852%0.522SS..Hα-helixtrans-62.3-37.3174-84.5-167.1168.7178.40112.2F1425 K1433F1425-K1429 HydrophobicContact CD1-CD 4.43Å; F1425-K1429 HydrophobicContact CE1-CD 3.75Å; F1425-K1429 HydrophobicContact CE1-CG 4.42Å; F1425-K1429 HydrophobicContact CZ-CD 3.84Å; F1425-K1429 HydrophobicContact CZ-CG 4.37Å; F1425-K1429 PolarHBondContact O-N 3.41Å; K1429-K1433 VanDerWaalsContact O-CB 3.27Å; K1429-K1433 WeakPolarHBondContact O-CB 3.44Å; K1429-K1433 VanDerWaalsContact O-CG 3.32Å; K1429-K1433 WeakPolarHBondContact O-CG 3.25Å; K1429-K1433 PolarHBondContact O-N 3.07Å
1430L71.4Confident65.1Low88 Ų88118.6 Ų118.646%0.46152%0.522SS..Hα-helixtrans-68.3-37.6172.7-82.4159.9000112.1K1426 R1427 R1428 K1434K1426-L1430 HydrophobicContact CG-CD1 4.17Å; K1426-L1430 WeakPolarHBondContact O-CB 3.5Å; K1426-L1430 WeakPolarHBondContact O-CD1 3.29Å; K1426-L1430 WeakPolarHBondContact O-CG 3.35Å; K1426-L1430 PolarHBondContact O-N 3.36Å; R1427-L1430 CarbonylContact O-C 3.49Å; R1427-L1430 WeakPolarHBondContact O-CB 3.12Å; R1427-L1430 PolarHBondContact O-N 3.16Å; R1428-L1430 VanDerWaalsContact C-N 3.3Å; R1428-L1430 PolarHBondContact O-N 3.36Å; L1430-K1434 WeakPolarHBondContact O-CA 3.32Å; L1430-K1434 WeakPolarHBondContact O-CB 3.26Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 3.24Å
1431W64.1Low63.5Low175 Ų175123.2 Ų123.266%0.66354%0.542SS*.Hα-helixtrans-74.8-29.1175.5-87.299000112.6R1427 R1428 R1435R1427-W1431 WeakPolarHBondContact O-CB 2.91Å; R1427-W1431 PolarHBondContact O-N 2.7Å; R1428-W1431 CarbonylContact O-C 3.39Å; R1428-W1431 PolarHBondContact O-N 3.16Å; R1428-W1431 VanDerWaalsContact O-N 3.14Å; W1431-R1435 WeakPolarHBondContact O-CA 3.22Å; W1431-R1435 WeakPolarHBondContact O-CB 3.47Å; W1431-R1435 PolarHBondContact O-N 3.4Å
1432E62.8Low61.7Low114 Ų114122.4 Ų122.453%0.53354%0.543SS..Hα-helixtrans-77.9-37.8172.4-78.3172.1-177.900110.5R1428 K1436R1428-E1432 WeakPolarHBondContact O-CB 3.47Å; R1428-E1432 WeakPolarHBondContact O-CG 3.16Å; R1428-E1432 PolarHBondContact O-N 3.02Å; E1432-K1436 VanDerWaalsContact O-CB 3.27Å; E1432-K1436 WeakPolarHBondContact O-CB 3.39Å; E1432-K1436 WeakPolarHBondContact O-CG 3.01Å; E1432-K1436 PolarHBondContact O-N 3.15Å
1433K62.1Low59.6Low158 Ų158124.4 Ų124.469%0.68756%0.556SS**Hα-helixtrans-63.8-46167.6-79.7-175.4175.7-1720110.6K1429 K1436 H1437K1429-K1433 VanDerWaalsContact O-CB 3.27Å; K1429-K1433 WeakPolarHBondContact O-CB 3.44Å; K1429-K1433 VanDerWaalsContact O-CG 3.32Å; K1429-K1433 WeakPolarHBondContact O-CG 3.25Å; K1429-K1433 PolarHBondContact O-N 3.07Å; K1433-K1436 PolarHBondContact O-N 3.17Å; K1433-H1437 WeakPolarHBondContact O-CB 3.23Å; K1433-H1437 PolarHBondContact O-N 3.25Å
1434K60.3Low58Low122 Ų122128.8 Ų128.853%0.5357%0.571SS.*Hα-helixtrans-64.1-43.4173.6-83.3-174.3176.7-172.60111.2L1430 K1436 H1437 D1438L1430-K1434 WeakPolarHBondContact O-CA 3.32Å; L1430-K1434 WeakPolarHBondContact O-CB 3.26Å; L1430-K1434 WeakPolarHBondContact O-CG 3.49Å; L1430-K1434 PolarHBondContact O-N 3.24Å; K1434-K1436 PolarHBondContact O-N 3.44Å; K1434-H1437 CarbonylContact O-C 3.54Å; K1434-H1437 VanDerWaalsContact O-C 3.31Å; K1434-H1437 WeakPolarHBondContact O-CA 3.34Å; K1434-H1437 PolarHBondContact O-N 2.85Å; K1434-H1437 VanDerWaalsContact O-N 3.07Å; K1434-D1438 VanDerWaalsContact O-CA 3.27Å; K1434-D1438 WeakPolarHBondContact O-CA 3.5Å; K1434-D1438 WeakPolarHBondContact O-CB 3.19Å; K1434-D1438 PolarHBondContact O-N 3.18Å
1435R49.3Very low56.4Low186 Ų186130.4 Ų130.470%0.70259%0.587SS**Hα-helixtrans-70.5-31.1178.4-168.5176.3172.8-171.3-2.5112.2W1431 L1439W1431-R1435 WeakPolarHBondContact O-CA 3.22Å; W1431-R1435 WeakPolarHBondContact O-CB 3.47Å; W1431-R1435 PolarHBondContact O-N 3.4Å; R1435-L1439 WeakPolarHBondContact O-CB 3Å; R1435-L1439 PolarHBondContact O-N 3.06Å
1436K48.8Very low54.7Low175 Ų175134.1 Ų134.176%0.76161%0.61SS**Hα-helixtrans-69.7-35.4167.1-77.5-178.8175-176.20111.7E1432 K1433 K1434 S1440E1432-K1436 VanDerWaalsContact O-CB 3.27Å; E1432-K1436 WeakPolarHBondContact O-CB 3.39Å; E1432-K1436 WeakPolarHBondContact O-CG 3.01Å; E1432-K1436 PolarHBondContact O-N 3.15Å; K1433-K1436 PolarHBondContact O-N 3.17Å; K1434-K1436 PolarHBondContact O-N 3.44Å; K1436-S1440 WeakPolarHBondContact O-CB 3.13Å; K1436-S1440 PolarHBondContact O-N 2.86Å
1437H50Low53.1Low110 Ų110137.1 Ų137.151%0.50963%0.626SS.*Hα-helixtrans-82-20.6177.5-159.1-60.3000113.5K1433 K1434 K1441K1433-H1437 WeakPolarHBondContact O-CB 3.23Å; K1433-H1437 PolarHBondContact O-N 3.25Å; K1434-H1437 CarbonylContact O-C 3.54Å; K1434-H1437 VanDerWaalsContact O-C 3.31Å; K1434-H1437 WeakPolarHBondContact O-CA 3.34Å; K1434-H1437 PolarHBondContact O-N 2.85Å; K1434-H1437 VanDerWaalsContact O-N 3.07Å; H1437-K1441 WeakPolarHBondContact O-CB 3.01Å; H1437-K1441 WeakPolarHBondContact O-CG 3.36Å; H1437-K1441 PolarHBondContact O-N 2.94Å
1438D48.6Very low51.4Low59 Ų59135.4 Ų135.432%0.31664%0.64SS.*Hα-helixtrans-101.7-25.1-177.5-70.3-25.8000109.9K1434 S1440 K1441 Q1442K1434-D1438 VanDerWaalsContact O-CA 3.27Å; K1434-D1438 WeakPolarHBondContact O-CA 3.5Å; K1434-D1438 WeakPolarHBondContact O-CB 3.19Å; K1434-D1438 PolarHBondContact O-N 3.18Å; D1438-S1440 VanDerWaalsContact C-N 3.25Å; D1438-K1441 CarbonylContact O-C 3.31Å; D1438-K1441 PolarHBondContact O-N 2.99Å; D1438-Q1442 WeakPolarHBondContact O-CA 3.46Å; D1438-Q1442 WeakPolarHBondContact O-CB 3.39Å; D1438-Q1442 WeakPolarHBondContact O-CG 3.08Å; D1438-Q1442 PolarHBondContact O-N 3.27Å
1439L42.6Very low49.6Very low122 Ų122131 Ų13164%0.63965%0.646SS**Hα-helixtrans-68.7-31.5161.3-153.682.3000110.1R1435R1435-L1439 WeakPolarHBondContact O-CB 3Å; R1435-L1439 PolarHBondContact O-N 3.06Å
1440S46.7Very low47.6Very low83 Ų83133.5 Ų133.558%0.5866%0.664SS**Hα-helixtrans-75-27.7169.7167.50000113.7K1436 D1438K1436-S1440 WeakPolarHBondContact O-CB 3.13Å; K1436-S1440 PolarHBondContact O-N 2.86Å; D1438-S1440 VanDerWaalsContact C-N 3.25Å
1441K42.4Very low45.7Very low115 Ų115139.2 Ų139.250%0.568%0.679SS.*Hα-helixtrans-94.4-27.3176.1-86.6178.8169.1178.60114.4H1437 D1438 M1443 K1444 L1445H1437-K1441 WeakPolarHBondContact O-CB 3.01Å; H1437-K1441 WeakPolarHBondContact O-CG 3.36Å; H1437-K1441 PolarHBondContact O-N 2.94Å; D1438-K1441 CarbonylContact O-C 3.31Å; D1438-K1441 PolarHBondContact O-N 2.99Å; K1441-M1443 VanDerWaalsContact C-N 3.3Å; K1441-M1443 PolarHBondContact O-N 3.42Å; K1441-K1444 CarbonylContact O-C 3.57Å; K1441-K1444 WeakPolarHBondContact O-CA 3.41Å; K1441-K1444 PolarHBondContact O-N 3.14Å; K1441-L1445 WeakPolarHBondContact O-CB 3.4Å; K1441-L1445 PolarHBondContact O-N 2.03Å
1442Q38.8Very low44.4Very low127 Ų127136.6 Ų136.659%0.59368%0.678SS**Hα-helixtrans-74.1-21.8177.6-79.2179.6-44.800111.9D1438 K1444D1438-Q1442 WeakPolarHBondContact O-CA 3.46Å; D1438-Q1442 WeakPolarHBondContact O-CB 3.39Å; D1438-Q1442 WeakPolarHBondContact O-CG 3.08Å; D1438-Q1442 PolarHBondContact O-N 3.27Å; Q1442-K1444 PolarHBondContact O-N 2.03Å
1443M38.4Very low42.9Very low172 Ų172137.1 Ų137.185%0.84769%0.685SS**THydrogen-bonded Turntrans-72.1-11.3165.3-156.5167.9167.200112.6K1441K1441-M1443 VanDerWaalsContact C-N 3.3Å; K1441-M1443 PolarHBondContact O-N 3.42Å
1444K42.5Very low41.4Very low181 Ų181136.9 Ų136.979%0.78769%0.69SS**THydrogen-bonded Turntrans-114.8-7.1176.3-78-174.8175.8-178.10114.7K1441 Q1442K1441-K1444 CarbonylContact O-C 3.57Å; K1441-K1444 WeakPolarHBondContact O-CA 3.41Å; K1441-K1444 PolarHBondContact O-N 3.14Å; Q1442-K1444 PolarHBondContact O-N 2.03Å
1445L40.9Very low40Very low137 Ų137139.8 Ų139.872%0.71771%0.705SS**  trans-113.715.5-174.4-137.297.1000113.9K1441 Q1447K1441-L1445 WeakPolarHBondContact O-CB 3.4Å; K1441-L1445 PolarHBondContact O-N 2.03Å; L1445-Q1447 PolarHBondContact O-N 3.43Å; L1445-Q1447 VanDerWaalsContact O-N 3.07Å
1446L41.2Very low39.2Very low164 Ų164135.8 Ų135.886%0.85971%0.712SS**THydrogen-bonded Turntrans-74.422.4175.3-120.7156.5000113.1
1447Q43.4Very low38.4Very low184 Ų184135.7 Ų135.786%0.8671%0.714SS**THydrogen-bonded Turntrans-131.39.2-165.2-155.3171.1-10.600117.3L1445L1445-Q1447 PolarHBondContact O-N 3.43Å; L1445-Q1447 VanDerWaalsContact O-N 3.07Å
1448A38.5Very low37.6Very low95 Ų95140 Ų14079%0.78573%0.732SS**  trans-166.9119.2166.500000110
1449G35.5Very low37Very low73 Ų73141.8 Ų141.875%0.75375%0.754SS**  cis107.180.122.500000110.5
1450L31.3Very low37.1Very low163 Ų163141.5 Ų141.585%0.85376%0.76SS**  trans42.3135.4147.7-10884.8000121.2
1451R32.4Very low36.3Very low209 Ų209146.1 Ų146.179%0.78977%0.773SS**  124.2144.7125.1-120.8-176.3-175152.3-0.4118.1
1452D35.8Very low35.9Very low120 Ų120146.2 Ų146.264%0.64279%0.785SS**  trans91.5125158.9-54.2-22.9000116.6
1453N32.2Very low35.5Very low125 Ų125149.3 Ų149.367%0.66880%0.796SS**  cis145.8120.49.6-93.9-14.9000102.9
1454L30Very low35Very low152 Ų152150.8 Ų150.880%0.79679%0.792SS**  82.8142.493.4-113.2147.6000113.3
1455E31.5Very low34.4Very low183 Ų183153.2 Ų153.286%0.85580%0.797SS**  trans92.2133.5172.1-57.9179.7-172.300116.4
1456A32.5Very low33.9Very low103 Ų103159.6 Ų159.685%0.85181%0.811SS**  cis-157.8165.63.200000111.5
1457E31.9Very low33.3Very low172 Ų172156.5 Ų156.580%0.80480%0.804SS**  trans-90.1149.9-166.1-165.8179.9-148.800113.3
1458K32.7Very low32.5Very low202 Ų202151.1 Ų151.188%0.87880%0.797SS**  164.5128.8125.9-89171.4-179175.30115.2
1459A36.8Very low32.2Very low95 Ų95156.3 Ų156.379%0.78580%0.798SS**  trans-60.6-161.9-17800000117.6
1460P44.3Very low32.1Very low117 Ų117159.1 Ų159.176%0.7680%0.795SS**  -133.4168.7-69.738.8-23000112.8
1461E30.2Very low32.2Very low180 Ų180158.2 Ų158.284%0.84179%0.79SS**  trans-173.9149.2141.3-108.3-170.9-155.400113.6
1462P32.6Very low32.5Very low116 Ų116151.8 Ų151.875%0.75378%0.781SS**  trans-106.8118.8-165.536.2-24.9000113.5
1463K30Very low32.6Very low193 Ų193152.2 Ų152.284%0.83978%0.784SS**  trans-143.4110.9165-77.7-176.7-177.6155.40113.4
1464R29.2Very low32.7Very low203 Ų203150.9 Ų150.977%0.76677%0.77SS**  trans27.8119148.4-66.5-179.7179.3-163-4.6118.7
1465R29.9Very low32.9Very low232 Ų232152.5 Ų152.588%0.87577%0.77SS**  trans-170.9122.9141.4-105.4163.3-167.6-178.43.7111
1466W29.2Very low33.3Very low270 Ų270152.2 Ų152.2100%1.02377%0.766SS**  trans-105.293.8162.9-82.742.1000107.2
1467S29Very low33.5Very low100 Ų100153.5 Ų153.570%0.69976%0.759SS**  trans-162.8114.716462.20000108.5
1468G27.5Very low33.6Very low70 Ų70152.3 Ų152.372%0.72275%0.751SS**  trans73112.5159.200000117.5
1469Y30.7Very low33.5Very low205 Ų205151.4 Ų151.480%0.80475%0.75SS**  167.490118.8-99.3-81.4000108.9L1471 A1472Y1469-L1471 PolarHBondContact O-N 2.79Å; Y1469-A1472 PolarHBondContact O-N 3.17Å
1470L35Very low33.2Very low131 Ų131154.8 Ų154.869%0.68675%0.75SS**THydrogen-bonded Turntrans-601.4175-111.3148.9000114.5
1471L32.6Very low32.5Very low145 Ų145155.6 Ų155.676%0.75976%0.755SS**THydrogen-bonded Turntrans-93.8-17.2-177.1-123.995.3000114Y1469Y1469-L1471 PolarHBondContact O-N 2.79Å
1472A39Very low32.4Very low73 Ų73154.8 Ų154.860%0.60375%0.751SS**SBendtrans-87.4-33.5-171.300000113.9Y1469 W1474Y1469-A1472 PolarHBondContact O-N 3.17Å; A1472-W1474 VanDerWaalsContact C-N 3.32Å
1473D38.2Very low32.2Very low129 Ų129158.3 Ų158.369%0.6976%0.757SS**G310 helixtrans-77.4-17.8176.7-76.8-25000113.2K1475 K1476D1473-K1475 PolarHBondContact O-N 3.04Å; D1473-K1476 PolarHBondContact O-N 3.02Å
1474W33.6Very low32.3Very low98 Ų98160.8 Ų160.837%0.37176%0.761SS.*G310 helixtrans-63.4-11.7177.1-99.962.3000114.8F1416 A1472 F1478F1416-W1474 HydrophobicContact CZ-CH2 4.45Å; F1416-W1474 HydrophobicContact CZ-CZ2 4.08Å; A1472-W1474 VanDerWaalsContact C-N 3.32Å; W1474-F1478 VanDerWaalsContact O-CD2 3.26Å; W1474-F1478 WeakPolarHBondContact O-CD2 3.41Å; W1474-F1478 WeakPolarHBondContact O-CE2 3.45Å
1475K35.5Very low32.2Very low186 Ų186162.4 Ų162.481%0.80977%0.767SS**G310 helixtrans-98.2-14.6-178.8-101.2-177.4176.2-179.20114.8D1473D1473-K1475 PolarHBondContact O-N 3.04Å
1476K38.8Very low32.3Very low176 Ų176158.6 Ų158.677%0.76576%0.764SS**THydrogen-bonded Turntrans-91.7-18.5-176.1-85.6-177.3173-179.80114.8D1473 F1478D1473-K1476 PolarHBondContact O-N 3.02Å; K1476-F1478 PolarHBondContact O-N 3.18Å
1477D37.6Very low32.3Very low131 Ų131153.6 Ų153.670%0.70175%0.752SS**THydrogen-bonded Turntrans-92.812.2-177.9-66.1-17.9000114.3
1478F32.6Very low32.5Very low147 Ų147158.7 Ų158.765%0.64576%0.762SS**THydrogen-bonded Turntrans-94.24.3-178.2-88.2-80.8000115.1W1474 K1476W1474-F1478 VanDerWaalsContact O-CD2 3.26Å; W1474-F1478 WeakPolarHBondContact O-CD2 3.41Å; W1474-F1478 WeakPolarHBondContact O-CE2 3.45Å; K1476-F1478 PolarHBondContact O-N 3.18Å
1479E31.4Very low32.7Very low182 Ų182162.5 Ų162.585%0.8577%0.765SS**  trans-93.7104170.3-75.7-179.7167.400110.1
1480Q31Very low32.7Very low167 Ų167161.9 Ų161.978%0.7877%0.766SS**  trans-58.8130.9172.5-74.1176.9-25.700110.3Q1482Q1480-Q1482 PolarHBondContact O-N 3.15Å
1481P28.7Very low32.6Very low133 Ų133163.7 Ų163.786%0.86478%0.777SS**  trans-72.496.4164.128.7-28.7000108.3H1483P1481-H1483 VanDerWaalsContact C-N 3.35Å; P1481-H1483 PolarHBondContact O-N 3.24Å
1482Q28.8Very low32.4Very low163 Ų163162.8 Ų162.876%0.76278%0.777SS**  trans-71.184.4166.3-73.5-174.9-14.800109.3Q1480Q1480-Q1482 PolarHBondContact O-N 3.15Å
1483H28.6Very low32Very low190 Ų190168.6 Ų168.688%0.8879%0.79SS**  trans-166.794.2156.4-92.3-60.6000112.2P1481P1481-H1483 VanDerWaalsContact C-N 3.35Å; P1481-H1483 PolarHBondContact O-N 3.24Å
1484R30.4Very low31.7Very low245 Ų245169.2 Ų169.293%0.92579%0.793SS**  trans-168.288.7139.1-110.7-176.7-175-172.12.8109.5
1485R27.8Very low31.6Very low237 Ų237173.3 Ų173.389%0.89482%0.816SS**  trans-81.7123.2157.7-95.2178.8171.4159.7-3106.9
1486N32.9Very low31.4Very low153 Ų153175.7 Ų175.782%0.81882%0.82SS**  trans-116.5122153.2-86.2-4.9000108
1487H29.6Very low31.1Very low164 Ų164173.5 Ų173.576%0.75982%0.824SS**  trans-50.3137.6171.7-80.4-107.9000111.5
1488F32.9Very low31Very low207 Ų207173.6 Ų173.691%0.90883%0.829SS**  trans-164.375.5141.1-96.1-71.9000108
1489L30.3Very low30.8Very low150 Ų150173 Ų17379%0.78584%0.838SS**  trans-79.8142.7154.1-92.2151.2000106.3
1490F31.4Very low30.9Very low192 Ų192169.9 Ų169.984%0.84284%0.836SS**  trans89.477.4-177.2-56.7-78000116.5
1491N33.2Very low30.8Very low170 Ų170174 Ų17491%0.90984%0.844SS**  -171.887.2123.3-112.40.5000110.2
1492T28Very low30.7Very low125 Ų125172.9 Ų172.977%0.76784%0.84SS**  trans-112.5119.1157.711.80000105.4
1493F30Very low30.8Very low196 Ų196171.1 Ų171.186%0.8685%0.846SS**  trans160.2132.8140.5-92.2-74.2000109.4
1494N32Very low30.7Very low142 Ų142167.1 Ų167.176%0.75984%0.839SS**  trans77.598170.1-69.7-3.2000118.3
1495E32Very low30.6Very low184 Ų184164.6 Ų164.686%0.8684%0.835SS**  170.5123.494.1-100.3169-171.600113.5
1496R32.1Very low30.9Very low236 Ų236157.1 Ų157.189%0.89182%0.819SS**  trans10.6131.5160.3-62.7175.8-178.6174.70.6121.5
1497P30.8Very low31.1Very low129 Ų129154.8 Ų154.884%0.83882%0.815SS**  trans-94.1131.7166.435-26.3000112
1498T36Very low31.5Very low133 Ų133151.9 Ų151.982%0.81681%0.809SS**  trans-114.1107.8159.444.70000109.3
1499T29.8Very low31.7Very low136 Ų136147 Ų14783%0.83479%0.789SS**  trans18.3106.8147.451.20000119.7
1500S32.8Very low32.2Very low116 Ų116142.4 Ų142.481%0.81177%0.773SS**  -161.8111.3129.464.30000112
1501R28.8Very low32.6Very low252 Ų252140 Ų14095%0.95177%0.766SS**  trans40.6114.1155.7-86.2174.4168.7165.4-4.4121.2
1502S27.4Very low32.8Very low111 Ų111138.1 Ų138.178%0.77675%0.751SS**  trans-63.9143.6168.250.90000116.8
1503S29Very low33.4Very low126 Ų126141 Ų14188%0.88175%0.748SS**  trans-153.573.314566.20000110.8
1504S27.4Very low34Very low106 Ų106139.3 Ų139.374%0.74174%0.741SS**  trans-130.364.3171.164.20000109.9
1505F27.6Very low34.5Very low192 Ų192134.4 Ų134.484%0.84272%0.72SS**  trans-164102.1173-126.3-91.7000108.8
1506S35.9Very low34.9Very low80 Ų80130.8 Ų130.856%0.55971%0.707SS**  trans-176.7-9.2161.6680000116T1508 A1510S1506-T1508 VanDerWaalsContact C-N 3.33Å; S1506-T1508 PolarHBondContact O-N 3.06Å; S1506-A1510 PolarHBondContact O-N 2.92Å
1507S37Very low35.5Very low103 Ų103122.1 Ų122.172%0.7269%0.691SS**THydrogen-bonded Turntrans-74.6-14.2-170.151.10000115.7
1508T36.7Very low35.8Very low103 Ų103120.5 Ų120.563%0.63267%0.671SS**THydrogen-bonded Turntrans-91.4-39.1173.638.70000112.9S1506 A1510 M1511 E1512S1506-T1508 VanDerWaalsContact C-N 3.33Å; S1506-T1508 PolarHBondContact O-N 3.06Å; T1508-A1510 VanDerWaalsContact C-N 3.32Å; T1508-A1510 PolarHBondContact O-N 3.47Å; T1508-M1511 PolarHBondContact O-N 3.07Å; T1508-E1512 PolarHBondContact O-N 2.85Å
1509E37.4Very low35.9Very low105 Ų105121.5 Ų121.549%0.49167%0.67SS.*Hα-helixtrans-68.8-29.1176-76.1-175.8157.900112.8M1511 E1512 R1513E1509-M1511 VanDerWaalsContact C-N 3.34Å; E1509-E1512 PolarHBondContact O-N 2.86Å; E1509-R1513 WeakPolarHBondContact O-CG 3.34Å; E1509-R1513 PolarHBondContact O-N 2.99Å
1510A42.2Very low36.3Very low54 Ų54126.3 Ų126.345%0.44668%0.68SS.*Hα-helixtrans-66.9-33.8174.600000112.4S1506 T1508 F1514S1506-A1510 PolarHBondContact O-N 2.92Å; T1508-A1510 VanDerWaalsContact C-N 3.32Å; T1508-A1510 PolarHBondContact O-N 3.47Å; A1510-F1514 WeakPolarHBondContact O-CB 3.34Å; A1510-F1514 PolarHBondContact O-N 2.97Å
1511M37.9Very low36.4Very low142 Ų142126.8 Ų126.870%0.767%0.673SS**Hα-helixtrans-74.9-34174.5-90.1-170.294.200112.2T1508 E1509 A1515T1508-M1511 PolarHBondContact O-N 3.07Å; E1509-M1511 VanDerWaalsContact C-N 3.34Å; M1511-A1515 WeakPolarHBondContact O-CB 3.13Å; M1511-A1515 PolarHBondContact O-N 3.26Å
1512E37.4Very low36.8Very low129 Ų129120.2 Ų120.260%0.60366%0.658SS**Hα-helixtrans-69-43.2173.4-79.4177.5161.800111.5T1508 E1509 F1514 A1515 D1516T1508-E1512 PolarHBondContact O-N 2.85Å; E1509-E1512 PolarHBondContact O-N 2.86Å; E1512-F1514 VanDerWaalsContact C-N 3.35Å; E1512-F1514 PolarHBondContact O-N 3.29Å; E1512-A1515 PolarHBondContact O-N 2.93Å; E1512-D1516 WeakPolarHBondContact O-CB 3.21Å; E1512-D1516 PolarHBondContact O-N 3.32Å
1513R41.4Very low37.4Very low185 Ų185120.7 Ų120.770%0.69865%0.652SS**Hα-helixtrans-65.9-33.9173-71.3-175-164.9174.77.2113.3E1509 A1515 G1517E1509-R1513 WeakPolarHBondContact O-CG 3.34Å; E1509-R1513 PolarHBondContact O-N 2.99Å; R1513-A1515 VanDerWaalsContact C-N 3.34Å; R1513-G1517 PolarHBondContact O-N 3.02Å
1514F42.9Very low37.9Very low161 Ų161120.4 Ų120.471%0.70664%0.638SS**Hα-helixtrans-69-33.8173.3-125.8-90000112.2A1510 E1512 F1518A1510-F1514 WeakPolarHBondContact O-CB 3.34Å; A1510-F1514 PolarHBondContact O-N 2.97Å; E1512-F1514 VanDerWaalsContact C-N 3.35Å; E1512-F1514 PolarHBondContact O-N 3.29Å; F1514-F1518 WeakPolarHBondContact O-CB 3.5Å; F1514-F1518 PolarHBondContact O-N 3.08Å
1515A41.4Very low38.5Very low40 Ų40121.3 Ų121.333%0.33163%0.632SS.*Hα-helixtrans-74.4-41.5175.400000111.4M1511 E1512 R1513 G1517 F1518 L1519M1511-A1515 WeakPolarHBondContact O-CB 3.13Å; M1511-A1515 PolarHBondContact O-N 3.26Å; E1512-A1515 PolarHBondContact O-N 2.93Å; R1513-A1515 VanDerWaalsContact C-N 3.34Å; A1515-G1517 VanDerWaalsContact C-N 3.34Å; A1515-G1517 PolarHBondContact O-N 2.93Å; A1515-F1518 PolarHBondContact O-N 3.26Å; A1515-L1519 WeakPolarHBondContact O-CB 3.49Å; A1515-L1519 PolarHBondContact O-N 2.91Å
1516D42.3Very low39.3Very low108 Ų108116.6 Ų116.658%0.57862%0.618SS**Hα-helixtrans-69-30177.3-79.1-13.6000112.8E1512 F1518 K1520E1512-D1516 WeakPolarHBondContact O-CB 3.21Å; E1512-D1516 PolarHBondContact O-N 3.32Å; D1516-F1518 VanDerWaalsContact C-N 3.33Å; D1516-K1520 PolarHBondContact O-N 3.28Å
1517G43.8Very low39.5Very low54 Ų54119.2 Ų119.256%0.55762%0.622SS**Hα-helixtrans-80.6-9.3172.700000114.8R1513 A1515R1513-G1517 PolarHBondContact O-N 3.02Å; A1515-G1517 VanDerWaalsContact C-N 3.34Å; A1515-G1517 PolarHBondContact O-N 2.93Å
1518F37.9Very low39.7Very low95 Ų95120.5 Ų120.542%0.41762%0.615SS.*Hα-helixtrans-106.6-15.2177.2-151.7-86.3000112.3K1411 T1415 F1514 A1515 D1516K1411-F1518 HydrophobicContact CB-CZ 4.09Å; K1411-F1518 HydrophobicContact CD-CZ 4.42Å; K1411-F1518 HydrophobicContact CG-CE2 3.97Å; K1411-F1518 HydrophobicContact CG-CZ 3.82Å; T1415-F1518 HydrophobicContact CG2-CE1 4.23Å; F1514-F1518 WeakPolarHBondContact O-CB 3.5Å; F1514-F1518 PolarHBondContact O-N 3.08Å; A1515-F1518 PolarHBondContact O-N 3.26Å; D1516-F1518 VanDerWaalsContact C-N 3.33Å
1519L37.7Very low39.9Very low154 Ų154121.9 Ų121.981%0.80661%0.613SS**Hα-helixtrans-96.4-14.4173.1-86.4156.3000113A1515A1515-L1519 WeakPolarHBondContact O-CB 3.49Å; A1515-L1519 PolarHBondContact O-N 2.91Å
1520K37Very low40.2Very low236 Ų236123.5 Ų123.5100%1.02662%0.624SS**  trans-87.70157.2-79.7-179.3175.8178.40108.9D1516D1516-K1520 PolarHBondContact O-N 3.28Å

Retrieved 1,520 of 1,520 residues in 917.9 ms (Link to these results)

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