A0A087XXT2_POEFO Loading...

Carboxypeptidase A4

AlphaFold DB , UniProt , Accession A0A087XXT2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 429 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.2Very low41.2Very low243 Ų243167.1 Ų167.1100%1.19785%0.847SS**  0142.50-68.5-179.9-177.800107.5
2P50.7Low41.1Very low110 Ų110169.8 Ų169.871%0.71484%0.84SS**  cis-132.8-180-11.437.4-17.9000113.6
3H37.8Very low40.6Very low176 Ų176162 Ų16282%0.81583%0.829SS**  trans45.6122.2155.6-65.7-60.8000122.3
4S33.9Very low40.5Very low119 Ų119163.7 Ų163.783%0.83283%0.828SS**  173.6154.4101.946.20000112.6
5L42.7Very low40.5Very low149 Ų149168.7 Ų168.778%0.7883%0.833SS**  trans-54.5150.3-176.8-69.7127.7000114.9
6N33.1Very low40.4Very low162 Ų162169.3 Ų169.387%0.86683%0.83SS**  trans-167.6113.2130.9-93.8-23.1000110.8
7Y39.9Very low40.2Very low224 Ų224167.9 Ų167.988%0.87883%0.826SS**  trans-76.6140.7159.6-100.2-93.7000108.7
8P39.6Very low40.1Very low114 Ų114167.1 Ų167.174%0.7482%0.824SS**  trans-111.2132.415125.5-11.1000110.9
9D47.8Very low40.1Very low153 Ų153163.7 Ų163.782%0.81881%0.814SS**  trans-33.6128.1166.9-78.7-54.1000114.6
10R39.6Very low40Very low201 Ų201163.1 Ų163.176%0.75881%0.813SS**  trans-132.293.3147.7-87.5-170.4173.1-175.8-0.6109.3R12R10-R12 PolarHBondContact O-N 2.69Å; R10-R12 VanDerWaalsContact O-N 3.15Å
11M45.5Very low39.9Very low187 Ų187160.5 Ų160.592%0.92181%0.806SS**  trans-49.7115.4149.8-71.8-177.6-167.700108.4
12R40.1Very low39.7Very low200 Ų200154 Ų15476%0.75578%0.784SS**  trans-129.7112.7160.9-80.5-173.3165.2-172.4-6.7107.1R10R10-R12 PolarHBondContact O-N 2.69Å; R10-R12 VanDerWaalsContact O-N 3.15Å
13G35.1Very low39.3Very low68 Ų68154.2 Ų154.270%0.70178%0.783SS**  trans-60.1139.8-167.900000113.7W15G13-W15 PolarHBondContact O-N 3.21Å
14F39.7Very low39.5Very low186 Ų186150.2 Ų150.282%0.81678%0.78SS**  trans-69.5104.6160.2-88.1-95.1000108.4F16F14-F16 HydrophobicContact CB-CD2 4.32Å; F14-F16 HydrophobicContact CB-CE2 4.35Å; F14-F16 PolarHBondContact O-N 3.23Å; F14-F16 VanDerWaalsContact O-N 3.15Å
15W39.3Very low40.6Very low239 Ų239153.3 Ų153.391%0.90577%0.774SS**  trans-74.195.2162.2-7992.4000108.1G13 L17G13-W15 PolarHBondContact O-N 3.21Å; W15-L17 PolarHBondContact O-N 3.48Å; W15-L17 VanDerWaalsContact O-N 3.13Å
16F39.6Very low41.9Very low177 Ų177151.1 Ų151.178%0.77677%0.771SS**  trans-69.4101.8161.8-88.1-86000107.9F14 L18F14-F16 HydrophobicContact CB-CD2 4.32Å; F14-F16 HydrophobicContact CB-CE2 4.35Å; F14-F16 PolarHBondContact O-N 3.23Å; F14-F16 VanDerWaalsContact O-N 3.15Å; F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 3.4Å
17L37.7Very low44.6Very low147 Ų147146.7 Ų146.777%0.7775%0.745SS**  trans-7491.3165.9-135.7101.4000107.3W15 V19W15-L17 PolarHBondContact O-N 3.48Å; W15-L17 VanDerWaalsContact O-N 3.13Å; L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 HydrophobicContact CD2-CG2 3.94Å; L17-V19 PolarHBondContact O-N 2.97Å
18L38.1Very low47.1Very low152 Ų152140 Ų14080%0.79672%0.718SS**  trans-68.691.8164.9-99.8149.8000107.6F16 L20F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 PolarHBondContact O-N 3.4Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 2.77Å
19V38.9Very low49.8Very low103 Ų103139.8 Ų139.862%0.62471%0.711SS**  trans-73.391.9164.4-177.70000106.5L17 V21L17-V19 VanDerWaalsContact C-N 3.29Å; L17-V19 HydrophobicContact CD2-CG2 3.94Å; L17-V19 PolarHBondContact O-N 2.97Å; V19-V21 HydrophobicContact CG1-CG2 3.76Å; V19-V21 PolarHBondContact O-N 2.91Å
20L38.2Very low52.1Low152 Ų152132.5 Ų132.580%0.79667%0.672SS**  trans-65.390.4159.7-90.1155.5000107L18 S22L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 2.77Å; L20-S22 PolarHBondContact O-N 2.67Å
21V39.4Very low54.9Low109 Ų109126.5 Ų126.566%0.66166%0.657SS**  trans-68.292160.2-1770000105.5V19 V23V19-V21 HydrophobicContact CG1-CG2 3.76Å; V19-V21 PolarHBondContact O-N 2.91Å; V21-V23 HydrophobicContact CG1-CG2 4.02Å; V21-V23 PolarHBondContact O-N 2.85Å
22S37.5Very low57.3Low107 Ų107118 Ų11875%0.74862%0.617SS**  trans-64.297.2158.142.80000105.7L20 A24L20-S22 PolarHBondContact O-N 2.67Å; S22-A24 PolarHBondContact O-N 2.97Å
23V42.2Very low60.1Low113 Ų113109 Ų10969%0.68559%0.585SS**  trans-65.296.8162.4-1790000104.4V21 R25V21-V23 HydrophobicContact CG1-CG2 4.02Å; V21-V23 PolarHBondContact O-N 2.85Å; V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 2.99Å
24A41.5Very low63.1Low92 Ų92106.7 Ų106.776%0.7656%0.555SS**  trans-57.3102.4165.100000105.9S22 S26S22-A24 PolarHBondContact O-N 2.97Å; A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.3Å
25R57.8Low65.9Low184 Ų18497.8 Ų97.869%0.69452%0.516SS*.  trans-69.393.8171.2-71.9-176.8176.6166.7-2.3106V23 E27V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 2.99Å; R25-E27 PolarHBondContact O-N 2.88Å; R25-E27 VanDerWaalsContact O-N 3.14Å
26S70.1Confident68.7Low104 Ų10486.4 Ų86.473%0.72747%0.473SS*.  trans-74.999.9170.4-169.90000106.8A24A24-S26 VanDerWaalsContact C-N 3.27Å; A24-S26 PolarHBondContact O-N 3.3Å
27E88.5Confident71.5Confident69 Ų6979.8 Ų79.832%0.32244%0.443SS..PPolyproline II helixtrans-60.3136.7165.5-175.2172.1-154.500109.1R25 L29 K111R25-E27 PolarHBondContact O-N 2.88Å; R25-E27 VanDerWaalsContact O-N 3.14Å; E27-L29 PolarHBondContact O-N 3.21Å; E27-K111 WeakPolarHBondContact OE1-CE 2.91Å; E27-K111 IonicContact OE1-NZ 3.47Å; E27-K111 PolarHBondContact OE1-NZ 2.9Å; E27-K111 IonicContact OE2-NZ 2.61Å; E27-K111 PolarHBondContact OE2-NZ 3Å
28R93.1Very high74.3Confident83 Ų8372.8 Ų72.831%0.31341%0.407SS..PPolyproline II helixtrans-72.9125.6175.6-172.4175.5-174.61690.7108.7F30 N59 N242 D243R28-F30 HydrophobicContact CB-CE2 4.29Å; R28-F30 HydrophobicContact CB-CZ 4.33Å; R28-F30 HydrophobicContact CG-CE1 4.31Å; R28-F30 HydrophobicContact CG-CE2 4.17Å; R28-F30 HydrophobicContact CG-CZ 3.91Å; R28-F30 WeakPolarHBondContact O-CE2 3.23Å; R28-N59 PolarHBondContact NH2-ND2 3.27Å; R28-N59 VanDerWaalsContact NH2-ND2 3.12Å; R28-N242 WeakPolarHBondContact CB-O 3.49Å; R28-N242 PolarHBondContact N-O 3.35Å; R28-D243 HydrophobicContact CB-CB 4.4Å; R28-D243 WeakPolarHBondContact CD-OD2 3.48Å; R28-D243 IonicContact CZ-OD2 2.8Å; R28-D243 IonicContact NE-OD2 3.91Å; R28-D243 IonicContact NH1-OD2 3.82Å; R28-D243 PolarHBondContact NH1-OD2 2.95Å
29L95.4Very high77.1Confident110 Ų11068.9 Ų68.958%0.57639%0.386SS*.PPolyproline II helixtrans-96.9150.3173.5-59.2178.7000110E27E27-L29 PolarHBondContact O-N 3.21Å
30F97.1Very high79.7Confident0 Ų064.3 Ų64.30%036%0.359CS..  trans-123.127-178.4-59.2-89.6000111.1R28 G32 D33 V103 L107 D243 M245R28-F30 HydrophobicContact CB-CE2 4.29Å; R28-F30 HydrophobicContact CB-CZ 4.33Å; R28-F30 HydrophobicContact CG-CE1 4.31Å; R28-F30 HydrophobicContact CG-CE2 4.17Å; R28-F30 HydrophobicContact CG-CZ 3.91Å; R28-F30 WeakPolarHBondContact O-CE2 3.23Å; F30-G32 PolarHBondContact O-N 2.64Å; F30-G32 VanDerWaalsContact O-N 3.11Å; F30-D33 HydrophobicContact CB-CB 4.21Å; F30-D33 WeakPolarHBondContact O-CB 3.33Å; F30-D33 PolarHBondContact O-N 2.48Å; F30-V103 HydrophobicContact CB-CB 4.01Å; F30-V103 HydrophobicContact CB-CG1 3.78Å; F30-V103 HydrophobicContact CG-CG1 4.14Å; F30-L107 HydrophobicContact CB-CD1 4.46Å; F30-L107 HydrophobicContact CD2-CD1 3.37Å; F30-L107 HydrophobicContact CE2-CD1 3.88Å; F30-L107 HydrophobicContact CG-CD1 4.17Å; F30-D243 WeakPolarHBondContact CZ-OD1 3.45Å; F30-M245 HydrophobicContact CD1-CG 4.41Å; F30-M245 HydrophobicContact CE1-CB 4.18Å; F30-M245 HydrophobicContact CE1-CG 3.63Å; F30-M245 HydrophobicContact CE2-CG 4.41Å; F30-M245 HydrophobicContact CZ-CB 4.03Å; F30-M245 HydrophobicContact CZ-CG 3.62Å
31T97.6Very high82.5Confident74 Ų7464.1 Ų64.145%0.45435%0.354SS..THydrogen-bonded Turntrans-59.5114.5-173.3-55.20000111.8D33 R79T31-D33 VanDerWaalsContact C-N 3.25Å; T31-D33 PolarHBondContact O-N 3.33Å; T31-R79 WeakPolarHBondContact O-CD 3.46Å
32G97Very high85.2Confident8 Ų861 Ų618%0.08234%0.338CS..THydrogen-bonded Turntrans71.913.9-177.500000114.5F30 R79 L82 D102F30-G32 PolarHBondContact O-N 2.64Å; F30-G32 VanDerWaalsContact O-N 3.11Å; G32-R79 WeakPolarHBondContact O-CB 3.48Å; G32-L82 VanDerWaalsContact O-CD1 3.26Å; G32-L82 WeakPolarHBondContact O-CD1 3.41Å; G32-D102 VanDerWaalsContact N-CG 3.26Å; G32-D102 PolarHBondContact N-OD1 3.4Å; G32-D102 PolarHBondContact N-OD2 3.29Å; G32-D102 VanDerWaalsContact N-OD2 3.12Å
33D98.3Very high87.9Confident13 Ų1361.1 Ų61.17%0.0733%0.326CS..  trans-68.7141.6163.8-75.212.8000108.9F30 T31 R76 V77 P78 R79 D102 V103F30-D33 HydrophobicContact CB-CB 4.21Å; F30-D33 WeakPolarHBondContact O-CB 3.33Å; F30-D33 PolarHBondContact O-N 2.48Å; T31-D33 VanDerWaalsContact C-N 3.25Å; T31-D33 PolarHBondContact O-N 3.33Å; D33-R76 HydrophobicContact CB-CG 4.29Å; D33-R76 IonicContact OD2-CZ 3.69Å; D33-R76 IonicContact OD2-NH1 3.91Å; D33-R76 PolarHBondContact OD2-NH1 2.95Å; D33-V77 WeakPolarHBondContact CA-O 3.4Å; D33-P78 VanDerWaalsContact OD1-CA 3.24Å; D33-P78 WeakPolarHBondContact OD1-CA 3.29Å; D33-R79 PolarHBondContact OD1-N 2.81Å; D33-D102 WeakPolarHBondContact O-CA 3.49Å; D33-V103 HydrophobicContact CB-CB 4.25Å; D33-V103 HydrophobicContact CB-CG2 4.25Å; D33-V103 WeakPolarHBondContact O-CG2 3.33Å; D33-V103 PolarHBondContact O-N 2.74Å
34Q98.5Very high90.4Very high18 Ų1862.7 Ų62.78%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-114.3148.1177.1-63.2-170.1-28.500111.2I36 R76 V77 L82 K86 V98 I100 D101Q34-I36 HydrophobicContact CB-CG1 4.35Å; Q34-R76 CarbonylContact O-C 3.59Å; Q34-R76 WeakPolarHBondContact O-CA 3.37Å; Q34-V77 PolarHBondContact N-O 2.78Å; Q34-V77 VanDerWaalsContact N-O 3.16Å; Q34-V77 PolarHBondContact O-N 3.49Å; Q34-L82 HydrophobicContact CB-CD1 4.4Å; Q34-L82 HydrophobicContact CB-CD2 3.64Å; Q34-L82 HydrophobicContact CG-CD1 3.77Å; Q34-L82 HydrophobicContact CG-CD2 3.89Å; Q34-K86 VanDerWaalsContact OE1-CE 3.31Å; Q34-V98 HydrophobicContact CB-CG1 4.29Å; Q34-V98 HydrophobicContact CG-CG1 4.33Å; Q34-I100 VanDerWaalsContact CA-O 3.25Å; Q34-I100 WeakPolarHBondContact CA-O 3.48Å; Q34-I100 WeakPolarHBondContact CB-O 3.35Å; Q34-D101 VanDerWaalsContact CG-O 3.25Å; Q34-D101 WeakPolarHBondContact CG-O 3.33Å; Q34-D101 PolarHBondContact NE2-O 2.69Å; Q34-D101 PolarHBondContact NE2-OD1 2.85Å
35V98.4Very high93.1Very high0 Ų059.2 Ų59.20%029%0.294CS..EExtended strand (participates in β ladder)trans-98.8121.7162.3-176.80000108.4W63 V75 R76 M99 I100 V103V35-W63 HydrophobicContact CG1-CD2 4.37Å; V35-W63 HydrophobicContact CG1-CE3 4.03Å; V35-W63 HydrophobicContact CG1-CZ3 4.31Å; V35-W63 HydrophobicContact CG2-CD2 4.32Å; V35-W63 HydrophobicContact CG2-CE3 4.19Å; V35-W63 HydrophobicContact CG2-CH2 3.68Å; V35-W63 HydrophobicContact CG2-CZ2 3.79Å; V35-W63 HydrophobicContact CG2-CZ3 3.88Å; V35-V75 WeakPolarHBondContact CA-O 3.3Å; V35-R76 HydrophobicContact CG2-CB 4.12Å; V35-R76 HydrophobicContact CG2-CG 4.4Å; V35-M99 PolarHBondContact O-N 2.92Å; V35-I100 HydrophobicContact CB-CB 3.94Å; V35-I100 HydrophobicContact CB-CD1 4.04Å; V35-I100 HydrophobicContact CB-CG1 4.2Å; V35-I100 HydrophobicContact CG2-CB 4.13Å; V35-I100 HydrophobicContact CG2-CD1 3.84Å; V35-I100 HydrophobicContact CG2-CG1 4.41Å; V35-I100 PolarHBondContact N-O 3.33Å; V35-I100 PolarHBondContact O-N 2.88Å; V35-V103 HydrophobicContact CG2-CG2 3.81Å
36I97.9Very high94.9Very high0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-109.5127.8-178.7-59.2-179.3000108.3Q34 I38 D74 V75 V77 L82 K86 F96 T97Q34-I36 HydrophobicContact CB-CG1 4.35Å; I36-I38 HydrophobicContact CG2-CG1 3.92Å; I36-D74 WeakPolarHBondContact O-CA 3.45Å; I36-V75 HydrophobicContact CB-CG1 4.33Å; I36-V75 PolarHBondContact N-O 3.01Å; I36-V75 PolarHBondContact O-N 3.14Å; I36-V77 HydrophobicContact CD1-CG2 4Å; I36-V77 HydrophobicContact CG1-CG2 4.39Å; I36-L82 HydrophobicContact CD1-CD2 4.31Å; I36-K86 HydrophobicContact CD1-CG 4.15Å; I36-F96 HydrophobicContact CG2-CB 3.61Å; I36-F96 HydrophobicContact CG2-CD2 3.49Å; I36-F96 VanDerWaalsContact CG2-CD2 3.49Å; I36-F96 HydrophobicContact CG2-CE2 4.45Å; I36-F96 HydrophobicContact CG2-CG 3.82Å; I36-T97 WeakPolarHBondContact CA-O 3.32Å
37R98.1Very high96Very high38 Ų3851.8 Ų51.814%0.14325%0.254CS..EExtended strand (participates in β ladder)trans-89.4126.7167.1171154.2-66.2169.61.6109.4P72 V73 D74 F96 T97 M99 T394R37-P72 HydrophobicContact CG-CB 3.75Å; R37-V73 CarbonylContact C-O 3.35Å; R37-V73 WeakPolarHBondContact CA-O 3.19Å; R37-D74 WeakPolarHBondContact CB-OD1 3.4Å; R37-D74 IonicContact CZ-OD1 3.59Å; R37-D74 IonicContact CZ-OD2 2.78Å; R37-D74 IonicContact NE-OD1 3.55Å; R37-D74 PolarHBondContact NE-OD1 2.64Å; R37-D74 IonicContact NE-OD2 3.96Å; R37-D74 VanDerWaalsContact NH2-CG 3.32Å; R37-D74 IonicContact NH2-OD1 3.34Å; R37-D74 PolarHBondContact NH2-OD1 3.22Å; R37-D74 VanDerWaalsContact NH2-OD1 3.12Å; R37-D74 IonicContact NH2-OD2 3.32Å; R37-D74 PolarHBondContact NH2-OD2 2.83Å; R37-F96 CarbonylContact O-C 3.03Å; R37-F96 WeakPolarHBondContact O-CA 3.45Å; R37-F96 VanDerWaalsContact O-CB 3.3Å; R37-F96 WeakPolarHBondContact O-CB 3.31Å; R37-T97 PolarHBondContact N-O 3.07Å; R37-T97 PolarHBondContact O-N 3.35Å; R37-M99 HydrophobicContact CB-CG 3.46Å; R37-M99 VanDerWaalsContact CB-CG 3.46Å; R37-M99 HydrophobicContact CB-SD 3.87Å; R37-T394 PolarHBondContact NH1-O 2.84Å; R37-T394 PolarHBondContact NH2-O 2.8Å
38I97.6Very high96.4Very high0 Ų050.1 Ų50.10%025%0.247CC..EExtended strand (participates in β ladder)trans-117.8126.4-177.4-56169.6000108.4I36 L49 V73 V75 L89 I94 F96I36-I38 HydrophobicContact CG2-CG1 3.92Å; I38-L49 HydrophobicContact CD1-CD2 3.9Å; I38-L49 HydrophobicContact CG2-CD1 3.78Å; I38-L49 HydrophobicContact CG2-CD2 4.15Å; I38-V73 HydrophobicContact CB-CB 4.16Å; I38-V73 PolarHBondContact N-O 3.29Å; I38-V73 PolarHBondContact O-N 3.38Å; I38-V75 HydrophobicContact CD1-CG1 3.68Å; I38-V75 HydrophobicContact CG1-CG1 4.47Å; I38-L89 HydrophobicContact CD1-CD1 3.91Å; I38-L89 HydrophobicContact CD1-CD2 3.94Å; I38-L89 HydrophobicContact CG1-CD1 4.08Å; I38-L89 HydrophobicContact CG1-CD2 4.5Å; I38-L89 HydrophobicContact CG2-CD2 4.34Å; I38-I94 HydrophobicContact CG2-CG2 3.26Å; I38-F96 HydrophobicContact CG1-CB 4.06Å
39D95.3Very high96.5Very high70 Ų7046.2 Ų46.237%0.37423%0.232SC..  trans-106.583.9-177.6-62.3-58.4000109.6Q41 P95D39-Q41 WeakPolarHBondContact O-CG 2.87Å; D39-Q41 PolarHBondContact O-N 3.32Å; D39-P95 HydrophobicContact CB-CG 4.19Å; D39-P95 PolarHBondContact N-O 3.12Å; D39-P95 WeakPolarHBondContact O-CD 3.45Å; D39-P95 WeakPolarHBondContact O-CG 3.15Å
40A95.2Very high96.3Very high6 Ų644.9 Ų44.95%0.0522%0.223CC..  trans-65.2128.8179.200000111.1Q45 I46 L49 T69A40-Q45 HydrophobicContact CB-CB 4.17Å; A40-I46 HydrophobicContact CB-CD1 3.43Å; A40-I46 VanDerWaalsContact CB-CD1 3.43Å; A40-I46 HydrophobicContact CB-CG1 3.94Å; A40-L49 HydrophobicContact CB-CD1 4.08Å; A40-T69 WeakPolarHBondContact O-CA 3.31Å; A40-T69 WeakPolarHBondContact O-CB 3.2Å; A40-T69 WeakPolarHBondContact O-CG2 3.39Å
41Q95.9Very high96.1Very high149 Ų14949.1 Ų49.170%0.69625%0.245SC*.  trans-103.6-3.6-175.5-58.5-173.6-29.100113.2D39 P95D39-Q41 WeakPolarHBondContact O-CG 2.87Å; D39-Q41 PolarHBondContact O-N 3.32Å; Q41-P95 HydrophobicContact CG-CG 4.12Å
42S96Very high95.8Very high44 Ų4445.9 Ų45.931%0.30823%0.225SC..SBendtrans-152.7158.5177.365.80000112.4E44 Q45 I46S42-E44 PolarHBondContact O-N 3.37Å; S42-Q45 WeakPolarHBondContact O-CB 3.22Å; S42-Q45 PolarHBondContact O-N 3.48Å; S42-Q45 VanDerWaalsContact O-N 3.09Å; S42-Q45 WeakPolarHBondContact OG-CG 3.39Å; S42-Q45 PolarHBondContact OG-N 3.37Å; S42-I46 PolarHBondContact O-N 2.72Å; S42-I46 VanDerWaalsContact O-N 3.07Å
43E93.7Very high95.5Very high108 Ų10848.8 Ų48.851%0.50524%0.236SC..Hα-helixtrans-59.4-28.7172.9-67.5-58.313500113I46 K47E43-I46 PolarHBondContact O-N 2.67Å; E43-K47 WeakPolarHBondContact O-CG 3.35Å; E43-K47 PolarHBondContact O-N 3.39Å
44E96.3Very high94.9Very high146 Ų14652.1 Ų52.168%0.68226%0.26SS*.Hα-helixtrans-67.1-43.1174.2-175171.4-173.800111.2S42 I46 K47 L48S42-E44 PolarHBondContact O-N 3.37Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.34Å; E44-K47 PolarHBondContact O-N 2.71Å; E44-L48 WeakPolarHBondContact O-CG 3.48Å; E44-L48 PolarHBondContact O-N 2.98Å
45Q97.1Very high94.5Very high19 Ų1954.7 Ų54.79%0.08927%0.272CS..Hα-helixtrans-64.8-37.8174.9-69.1-179-18.300112A40 S42 K47 L48 L49 S93 I94A40-Q45 HydrophobicContact CB-CB 4.17Å; S42-Q45 WeakPolarHBondContact O-CB 3.22Å; S42-Q45 PolarHBondContact O-N 3.48Å; S42-Q45 VanDerWaalsContact O-N 3.09Å; S42-Q45 WeakPolarHBondContact OG-CG 3.39Å; S42-Q45 PolarHBondContact OG-N 3.37Å; Q45-K47 PolarHBondContact O-N 3.47Å; Q45-L48 PolarHBondContact O-N 2.9Å; Q45-L49 VanDerWaalsContact O-CG 3.32Å; Q45-L49 WeakPolarHBondContact O-CG 3.42Å; Q45-L49 PolarHBondContact O-N 2.91Å; Q45-S93 PolarHBondContact NE2-O 2.84Å; Q45-I94 HydrophobicContact CB-CD1 4.31Å; Q45-I94 HydrophobicContact CB-CG1 4.13Å; Q45-I94 HydrophobicContact CG-CD1 4.32Å; Q45-I94 HydrophobicContact CG-CG1 3.75Å
46I94.9Very high93.7Very high2 Ų260.5 Ų60.51%0.0130%0.3CS..Hα-helixtrans-58.9-47.1172.7-68.2-64.6000111A40 S42 E43 E44 L48 L49 Q50 S68 T69A40-I46 HydrophobicContact CB-CD1 3.43Å; A40-I46 VanDerWaalsContact CB-CD1 3.43Å; A40-I46 HydrophobicContact CB-CG1 3.94Å; S42-I46 PolarHBondContact O-N 2.72Å; S42-I46 VanDerWaalsContact O-N 3.07Å; E43-I46 PolarHBondContact O-N 2.67Å; E44-I46 VanDerWaalsContact C-N 3.34Å; E44-I46 PolarHBondContact O-N 3.34Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.28Å; I46-L49 PolarHBondContact O-N 2.93Å; I46-L49 VanDerWaalsContact O-N 3.16Å; I46-Q50 HydrophobicContact CG2-CG 4.4Å; I46-Q50 WeakPolarHBondContact O-CG 3.42Å; I46-Q50 PolarHBondContact O-N 3.38Å; I46-S68 WeakPolarHBondContact CD1-O 3.39Å; I46-T69 HydrophobicContact CG1-CG2 4.19Å
47K94.3Very high93.2Very high131 Ų13167 Ų6757%0.5733%0.328SS*.Hα-helixtrans-61.3-39.6177.2-71.5172.5-174.81770112.5E43 E44 Q45 L49 Q50 I51E43-K47 WeakPolarHBondContact O-CG 3.35Å; E43-K47 PolarHBondContact O-N 3.39Å; E44-K47 PolarHBondContact O-N 2.71Å; Q45-K47 PolarHBondContact O-N 3.47Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-Q50 PolarHBondContact O-N 3.3Å; K47-I51 VanDerWaalsContact O-CG1 3.31Å; K47-I51 WeakPolarHBondContact O-CG1 3.35Å; K47-I51 PolarHBondContact O-N 3.01Å
48L95.9Very high92.6Very high34 Ų3467.3 Ų67.318%0.17833%0.329CS..Hα-helixtrans-61.6-43.2175-71.7170.5000111.6E44 Q45 I46 I51 L52 Y88 H92 I94E44-L48 WeakPolarHBondContact O-CG 3.48Å; E44-L48 PolarHBondContact O-N 2.98Å; Q45-L48 PolarHBondContact O-N 2.9Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 PolarHBondContact O-N 3.28Å; L48-I51 WeakPolarHBondContact O-CB 3.34Å; L48-I51 PolarHBondContact O-N 3.28Å; L48-L52 PolarHBondContact O-N 3.35Å; L48-Y88 PolarHBondContact O-OH 3.2Å; L48-H92 HydrophobicContact CD1-CB 3.98Å; L48-I94 HydrophobicContact CB-CD1 4.44Å; L48-I94 HydrophobicContact CD1-CD1 4.48Å
49L95.6Very high92.2Very high0 Ų071.4 Ų71.40%035%0.351CS..Hα-helixtrans-67.5-36.3176.6-65.6170.9000112.5I38 A40 Q45 I46 K47 I51 L52 E53 P66 V73 L89 I94I38-L49 HydrophobicContact CD1-CD2 3.9Å; I38-L49 HydrophobicContact CG2-CD1 3.78Å; I38-L49 HydrophobicContact CG2-CD2 4.15Å; A40-L49 HydrophobicContact CB-CD1 4.08Å; Q45-L49 VanDerWaalsContact O-CG 3.32Å; Q45-L49 WeakPolarHBondContact O-CG 3.42Å; Q45-L49 PolarHBondContact O-N 2.91Å; I46-L49 PolarHBondContact O-N 2.93Å; I46-L49 VanDerWaalsContact O-N 3.16Å; K47-L49 VanDerWaalsContact C-N 3.34Å; L49-I51 VanDerWaalsContact C-N 3.34Å; L49-L52 HydrophobicContact CD2-CD2 4.47Å; L49-L52 WeakPolarHBondContact O-CB 3.11Å; L49-L52 PolarHBondContact O-N 3.45Å; L49-E53 WeakPolarHBondContact O-CB 3.43Å; L49-E53 PolarHBondContact O-N 3.46Å; L49-P66 HydrophobicContact CB-CB 3.5Å; L49-P66 HydrophobicContact CB-CG 4.01Å; L49-P66 HydrophobicContact CD1-CB 4.35Å; L49-V73 HydrophobicContact CD1-CG2 4.12Å; L49-L89 HydrophobicContact CD2-CD2 3.79Å; L49-I94 HydrophobicContact CD2-CD1 4.31Å; L49-I94 HydrophobicContact CG-CD1 4.4Å
50Q92.1Very high92.2Very high82 Ų8269.4 Ų69.438%0.38334%0.34SS..Hα-helixtrans-64.6-37.6173.3-72.6170.8-11.600112I46 K47 E53 S54 P66I46-Q50 HydrophobicContact CG2-CG 4.4Å; I46-Q50 WeakPolarHBondContact O-CG 3.42Å; I46-Q50 PolarHBondContact O-N 3.38Å; K47-Q50 PolarHBondContact O-N 3.3Å; Q50-E53 PolarHBondContact O-N 3.2Å; Q50-S54 PolarHBondContact O-N 3.2Å; Q50-S54 VanDerWaalsContact O-N 3.08Å; Q50-P66 HydrophobicContact CB-CG 4.5Å; Q50-P66 HydrophobicContact CG-CB 4.19Å; Q50-P66 HydrophobicContact CG-CG 3.8Å; Q50-P66 WeakPolarHBondContact CG-O 3.36Å; Q50-P66 PolarHBondContact NE2-O 2.79Å
51I91.9Very high92.2Very high90 Ų9069.3 Ų69.346%0.46234%0.339SS..Hα-helixtrans-63-47.2171.8-68163.1000109.5K47 L48 L49 E53 S54 E55K47-I51 VanDerWaalsContact O-CG1 3.31Å; K47-I51 WeakPolarHBondContact O-CG1 3.35Å; K47-I51 PolarHBondContact O-N 3.01Å; L48-I51 WeakPolarHBondContact O-CB 3.34Å; L48-I51 PolarHBondContact O-N 3.28Å; L49-I51 VanDerWaalsContact C-N 3.34Å; I51-E53 VanDerWaalsContact C-N 3.26Å; I51-E53 PolarHBondContact O-N 3.49Å; I51-S54 PolarHBondContact O-N 3.03Å; I51-S54 VanDerWaalsContact O-N 3.09Å; I51-S54 PolarHBondContact O-OG 3.29Å; I51-E55 WeakPolarHBondContact O-CG 3.29Å; I51-E55 PolarHBondContact O-N 3Å
52L92.3Very high92.2Very high6 Ų662.7 Ų62.73%0.03131%0.308CS..Hα-helixtrans-58.9-38.5177.9-174.865.5000112L48 L49 E55 L60 Y88L48-L52 PolarHBondContact O-N 3.35Å; L49-L52 HydrophobicContact CD2-CD2 4.47Å; L49-L52 WeakPolarHBondContact O-CB 3.11Å; L49-L52 PolarHBondContact O-N 3.45Å; L52-E55 PolarHBondContact O-N 3.37Å; L52-L60 HydrophobicContact CD1-CD1 4.04Å; L52-L60 HydrophobicContact CD2-CD1 3.96Å; L52-L60 HydrophobicContact CG-CD1 3.63Å; L52-Y88 HydrophobicContact CB-CE1 4.45Å; L52-Y88 HydrophobicContact CD2-CD1 4.14Å; L52-Y88 HydrophobicContact CD2-CE1 4.19Å
53E90.9Very high92.2Very high68 Ų6861.2 Ų61.232%0.31830%0.295SS..Hα-helixtrans-63.9-37.7174.7177.7172.9-129.800113.4L49 Q50 I51 E55 F62 H65 P66L49-E53 WeakPolarHBondContact O-CB 3.43Å; L49-E53 PolarHBondContact O-N 3.46Å; Q50-E53 PolarHBondContact O-N 3.2Å; I51-E53 VanDerWaalsContact C-N 3.26Å; I51-E53 PolarHBondContact O-N 3.49Å; E53-E55 PolarHBondContact O-N 3.3Å; E53-F62 VanDerWaalsContact CA-CE2 3.44Å; E53-F62 HydrophobicContact CB-CD2 4.04Å; E53-F62 HydrophobicContact CB-CE1 4.21Å; E53-F62 HydrophobicContact CB-CE2 3.55Å; E53-F62 HydrophobicContact CB-CZ 3.63Å; E53-F62 HydrophobicContact CG-CD2 3.76Å; E53-F62 HydrophobicContact CG-CE2 3.8Å; E53-F62 HydrophobicContact CG-CG 4.24Å; E53-F62 HydrophobicContact CG-CZ 4.27Å; E53-H65 IonicContact OE1-CE1 3.65Å; E53-H65 IonicContact OE1-CG 3.53Å; E53-H65 IonicContact OE1-ND1 3.05Å; E53-H65 PolarHBondContact OE1-ND1 3.31Å; E53-P66 HydrophobicContact CB-CG 4.46Å; E53-P66 WeakPolarHBondContact OE2-CD 3.2Å
54S86.1Confident92.1Very high83 Ų8357.6 Ų57.658%0.5828%0.277SS*.Hα-helixtrans-73-11.3178.973.60000114.3Q50 I51 E56Q50-S54 PolarHBondContact O-N 3.2Å; Q50-S54 VanDerWaalsContact O-N 3.08Å; I51-S54 PolarHBondContact O-N 3.03Å; I51-S54 VanDerWaalsContact O-N 3.09Å; I51-S54 PolarHBondContact O-OG 3.29Å; S54-E56 PolarHBondContact O-N 3.11Å
55E88.2Confident91.8Very high73 Ų7352.5 Ų52.534%0.34125%0.253SS..  trans-89.389.1-174.1-71.8-88176.700111.5I51 L52 E53 K57 W58I51-E55 WeakPolarHBondContact O-CG 3.29Å; I51-E55 PolarHBondContact O-N 3Å; L52-E55 PolarHBondContact O-N 3.37Å; E53-E55 PolarHBondContact O-N 3.3Å; E55-K57 PolarHBondContact O-N 3.47Å; E55-K57 IonicContact OE1-NZ 3.92Å; E55-K57 WeakPolarHBondContact OE2-CE 3.47Å; E55-K57 IonicContact OE2-NZ 2.72Å; E55-K57 PolarHBondContact OE2-NZ 2.96Å; E55-W58 VanDerWaalsContact CB-CD1 3.48Å; E55-W58 PolarHBondContact O-N 3.12Å
56E83.2Confident91.5Very high122 Ų12251.7 Ų51.757%0.5725%0.25SC*.G310 helixtrans-55.6-26.4-176.4-62.9-175.817400113.9S54 W58 N59 S279S54-E56 PolarHBondContact O-N 3.11Å; E56-W58 PolarHBondContact O-N 3.05Å; E56-W58 VanDerWaalsContact O-N 3.12Å; E56-N59 PolarHBondContact O-N 3.39Å; E56-S279 PolarHBondContact OE1-OG 3.27Å; E56-S279 VanDerWaalsContact OE1-OG 3.13Å
57K86.1Confident91Very high137 Ų13754.1 Ų54.160%0.59626%0.264SS*.G310 helixtrans-60.2-23.9-178.273.5-172179.4-140.60114.2E55E55-K57 PolarHBondContact O-N 3.47Å; E55-K57 IonicContact OE1-NZ 3.92Å; E55-K57 WeakPolarHBondContact OE2-CE 3.47Å; E55-K57 IonicContact OE2-NZ 2.72Å; E55-K57 PolarHBondContact OE2-NZ 2.96Å
58W86.9Confident90.6Very high44 Ų4449.3 Ų49.317%0.16725%0.247CC..G310 helixtrans-87.6-15.8-179.1-61.894.1000112.8E55 E56 L60 H81 A84 V85E55-W58 VanDerWaalsContact CB-CD1 3.48Å; E55-W58 PolarHBondContact O-N 3.12Å; E56-W58 PolarHBondContact O-N 3.05Å; E56-W58 VanDerWaalsContact O-N 3.12Å; W58-L60 HydrophobicContact CB-CD1 4.18Å; W58-L60 HydrophobicContact CB-CD2 3.97Å; W58-L60 HydrophobicContact CB-CG 3.63Å; W58-L60 PolarHBondContact O-N 3.33Å; W58-H81 HydrophobicContact CE3-CB 4.01Å; W58-H81 PolarHBondContact O-CD2 2.88Å; W58-A84 HydrophobicContact CH2-CB 3.72Å; W58-A84 HydrophobicContact CZ3-CB 3.48Å; W58-A84 VanDerWaalsContact CZ3-CB 3.48Å; W58-V85 HydrophobicContact CE3-CG2 3.66Å; W58-V85 HydrophobicContact CZ3-CG2 3.76Å
59N89.2Confident90.1Very high86 Ų8650.7 Ų50.746%0.4626%0.257SS..  trans50.440.7-178.3-16722.3000112.5R28 E56 P78R28-N59 PolarHBondContact NH2-ND2 3.27Å; R28-N59 VanDerWaalsContact NH2-ND2 3.12Å; E56-N59 PolarHBondContact O-N 3.39Å; N59-P78 HydrophobicContact CB-CG 4.47Å; N59-P78 WeakPolarHBondContact O-CG 3.17Å
60L94.3Very high89.6Confident27 Ų2758.1 Ų58.114%0.14129%0.292CS..  trans-73.8145.1176.4-56.8-176.1000109.8L52 W58 F62 V75 V77 V85L52-L60 HydrophobicContact CD1-CD1 4.04Å; L52-L60 HydrophobicContact CD2-CD1 3.96Å; L52-L60 HydrophobicContact CG-CD1 3.63Å; W58-L60 HydrophobicContact CB-CD1 4.18Å; W58-L60 HydrophobicContact CB-CD2 3.97Å; W58-L60 HydrophobicContact CB-CG 3.63Å; W58-L60 PolarHBondContact O-N 3.33Å; L60-F62 HydrophobicContact CB-CD2 4.22Å; L60-F62 HydrophobicContact CB-CE2 3.71Å; L60-F62 HydrophobicContact CD1-CE2 4.02Å; L60-F62 HydrophobicContact CD1-CZ 4.2Å; L60-V75 HydrophobicContact CB-CG2 3.92Å; L60-V75 HydrophobicContact CD1-CG2 4.39Å; L60-V77 HydrophobicContact CD2-CB 4.31Å; L60-V77 HydrophobicContact CD2-CG1 3.96Å; L60-V77 HydrophobicContact CD2-CG2 4.16Å; L60-V85 HydrophobicContact CD2-CG2 4.09Å
61D95.5Very high89.4Confident5 Ų555.4 Ų55.43%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-121.1102.8177.8162.925.6000108.3W63 R76 R191D61-W63 PolarHBondContact O-N 2.8Å; D61-W63 PolarHBondContact OD2-NE1 3.4Å; D61-W63 VanDerWaalsContact OD2-NE1 3.11Å; D61-R76 HydrophobicContact CB-CB 4.15Å; D61-R76 PolarHBondContact N-O 3.19Å; D61-R76 VanDerWaalsContact N-O 3.12Å; D61-R76 PolarHBondContact O-N 3.11Å; D61-R76 IonicContact OD2-CZ 2.97Å; D61-R76 IonicContact OD2-NE 2.68Å; D61-R76 PolarHBondContact OD2-NE 3.08Å; D61-R76 IonicContact OD2-NH2 3.13Å; D61-R191 IonicContact OD1-CZ 3.62Å; D61-R191 IonicContact OD1-NH1 2.75Å; D61-R191 PolarHBondContact OD1-NH1 2.99Å; D61-R191 IonicContact OD1-NH2 3.41Å; D61-R191 IonicContact OD2-NH1 3.51Å
62F95.1Very high89.4Confident10 Ų1052.3 Ų52.34%0.04427%0.266CS..EExtended strand (participates in β ladder)trans-77.7112.4179.5-74-100.3000108.8E53 L60 P66 V73 V75 R191E53-F62 VanDerWaalsContact CA-CE2 3.44Å; E53-F62 HydrophobicContact CB-CD2 4.04Å; E53-F62 HydrophobicContact CB-CE1 4.21Å; E53-F62 HydrophobicContact CB-CE2 3.55Å; E53-F62 HydrophobicContact CB-CZ 3.63Å; E53-F62 HydrophobicContact CG-CD2 3.76Å; E53-F62 HydrophobicContact CG-CE2 3.8Å; E53-F62 HydrophobicContact CG-CG 4.24Å; E53-F62 HydrophobicContact CG-CZ 4.27Å; L60-F62 HydrophobicContact CB-CD2 4.22Å; L60-F62 HydrophobicContact CB-CE2 3.71Å; L60-F62 HydrophobicContact CD1-CE2 4.02Å; L60-F62 HydrophobicContact CD1-CZ 4.2Å; F62-P66 HydrophobicContact CE1-CG 4.28Å; F62-V73 HydrophobicContact CD1-CG1 3.8Å; F62-V73 HydrophobicContact CE1-CG1 3.83Å; F62-V75 HydrophobicContact CD1-CB 4.08Å; F62-V75 HydrophobicContact CD1-CG2 4.17Å; F62-V75 HydrophobicContact CD2-CG2 4.05Å; F62-V75 HydrophobicContact CE1-CB 4.12Å; F62-V75 HydrophobicContact CE1-CG2 4.1Å; F62-V75 HydrophobicContact CE2-CG2 3.94Å; F62-V75 HydrophobicContact CG-CB 4.45Å; F62-V75 HydrophobicContact CG-CG2 4.17Å; F62-V75 HydrophobicContact CZ-CB 4.48Å; F62-V75 HydrophobicContact CZ-CG2 3.99Å; F62-R191 PolarHBondContact O-NH2 2.88Å
63W95.8Very high89.6Confident13 Ų1352.1 Ų52.15%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-79.1-32.3172.8-68.913.1000110.5V35 D61 D74 I100 M245 Y318 F399 I400V35-W63 HydrophobicContact CG1-CD2 4.37Å; V35-W63 HydrophobicContact CG1-CE3 4.03Å; V35-W63 HydrophobicContact CG1-CZ3 4.31Å; V35-W63 HydrophobicContact CG2-CD2 4.32Å; V35-W63 HydrophobicContact CG2-CE3 4.19Å; V35-W63 HydrophobicContact CG2-CH2 3.68Å; V35-W63 HydrophobicContact CG2-CZ2 3.79Å; V35-W63 HydrophobicContact CG2-CZ3 3.88Å; D61-W63 PolarHBondContact O-N 2.8Å; D61-W63 PolarHBondContact OD2-NE1 3.4Å; D61-W63 VanDerWaalsContact OD2-NE1 3.11Å; W63-D74 WeakPolarHBondContact CA-O 3.42Å; W63-D74 HydrophobicContact CB-CB 4.1Å; W63-D74 PolarHBondContact N-O 3.06Å; W63-I100 HydrophobicContact CH2-CD1 3.94Å; W63-I100 HydrophobicContact CZ3-CD1 3.83Å; W63-M245 HydrophobicContact CZ2-CE 4.45Å; W63-M245 HydrophobicContact CZ2-SD 3.53Å; W63-M245 VanDerWaalsContact CZ2-SD 3.53Å; W63-Y318 HydrophobicContact CB-CE1 4.09Å; W63-Y318 VanDerWaalsContact CB-OH 3.23Å; W63-Y318 WeakPolarHBondContact CB-OH 3.31Å; W63-Y318 AromaticContact CE3-CE1 3.96Å; W63-Y318 HydrophobicContact CE3-CE1 3.96Å; W63-F399 HydrophobicContact CB-CD2 4.5Å; W63-F399 HydrophobicContact CB-CE2 3.63Å; W63-F399 HydrophobicContact CB-CZ 4.15Å; W63-F399 AromaticContact CD1-CE2 3.58Å; W63-F399 AromaticContact CD2-CD2 3.59Å; W63-F399 HydrophobicContact CD2-CD2 3.59Å; W63-F399 AromaticContact CD2-CE2 3.61Å; W63-F399 HydrophobicContact CD2-CE2 3.61Å; W63-F399 AromaticContact CE2-CD2 3.66Å; W63-F399 AromaticContact CE2-CE2 3.99Å; W63-F399 AromaticContact CE3-CD2 4Å; W63-F399 HydrophobicContact CE3-CD2 4Å; W63-F399 HydrophobicContact CE3-CE2 4.23Å; W63-F399 AromaticContact CG-CD2 3.85Å; W63-F399 HydrophobicContact CG-CD2 3.85Å; W63-F399 AromaticContact CG-CE2 3.33Å; W63-F399 HydrophobicContact CG-CE2 3.33Å; W63-F399 HydrophobicContact CG-CZ 4.32Å; W63-F399 HydrophobicContact CH2-CD2 4.48Å; W63-F399 HydrophobicContact CZ2-CD2 4.14Å; W63-F399 HydrophobicContact CZ3-CD2 4.42Å; W63-F399 AromaticContact NE1-CD2 3.92Å; W63-F399 AromaticContact NE1-CE2 3.93Å; W63-I400 HydrophobicContact CH2-CD1 4.13Å; W63-I400 HydrophobicContact CH2-CG1 4.35Å
64R92Very high89.9Confident31 Ų3148.9 Ų48.912%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-136.8126168.2-62.9179.169-178.3-0.7109.6V73 D74 Y318R64-V73 VanDerWaalsContact O-CG1 3.26Å; R64-V73 WeakPolarHBondContact O-CG1 3.48Å; R64-D74 HydrophobicContact CB-CB 4.1Å; R64-D74 WeakPolarHBondContact CD-OD2 3.47Å; R64-D74 HydrophobicContact CG-CB 4.19Å; R64-D74 PolarHBondContact N-O 3.13Å; R64-D74 PolarHBondContact O-N 2.71Å; R64-Y318 HydrophobicContact CG-CE2 4.27Å
65H90.3Very high90.4Very high40 Ų4045 Ų4519%0.18522%0.222CC..  trans-77.1151.2-170.1-59.9-77000113.3E53 V67 Y368E53-H65 IonicContact OE1-CE1 3.65Å; E53-H65 IonicContact OE1-CG 3.53Å; E53-H65 IonicContact OE1-ND1 3.05Å; E53-H65 PolarHBondContact OE1-ND1 3.31Å; H65-V67 HydrophobicContact CB-CG2 4.13Å; H65-V67 PolarHBondContact O-N 3.15Å; H65-V67 VanDerWaalsContact O-N 3.14Å; H65-Y368 AromaticContact CD2-CZ 3.85Å
66P90.4Very high90.9Very high2 Ų241.7 Ų41.71%0.01321%0.206CC..  trans-7597.1176.330.7-33.8000112.2L49 Q50 E53 F62 V73L49-P66 HydrophobicContact CB-CB 3.5Å; L49-P66 HydrophobicContact CB-CG 4.01Å; L49-P66 HydrophobicContact CD1-CB 4.35Å; Q50-P66 HydrophobicContact CB-CG 4.5Å; Q50-P66 HydrophobicContact CG-CB 4.19Å; Q50-P66 HydrophobicContact CG-CG 3.8Å; Q50-P66 WeakPolarHBondContact CG-O 3.36Å; Q50-P66 PolarHBondContact NE2-O 2.79Å; E53-P66 HydrophobicContact CB-CG 4.46Å; E53-P66 WeakPolarHBondContact OE2-CD 3.2Å; F62-P66 HydrophobicContact CE1-CG 4.28Å; P66-V73 HydrophobicContact CB-CG1 4.24Å; P66-V73 HydrophobicContact CB-CG2 3.86Å
67V85.1Confident91.6Very high52 Ų5235.9 Ų35.932%0.31518%0.179SC..  trans-119.9-51.3-173.4179.30000112.1H65 Y368H65-V67 HydrophobicContact CB-CG2 4.13Å; H65-V67 PolarHBondContact O-N 3.15Å; H65-V67 VanDerWaalsContact O-N 3.14Å; V67-Y368 HydrophobicContact CB-CG 4.45Å; V67-Y368 HydrophobicContact CG1-CG 4.4Å; V67-Y368 HydrophobicContact CG2-CD1 3.89Å; V67-Y368 HydrophobicContact CG2-CD2 4.23Å; V67-Y368 HydrophobicContact CG2-CG 3.56Å
68S85.1Confident92.2Very high31 Ų3129.9 Ų29.922%0.21715%0.154CC..  trans-143.4163.8-176.377.70000111I46 E70I46-S68 WeakPolarHBondContact CD1-O 3.39Å; S68-E70 PolarHBondContact O-N 3.34Å; S68-E70 PolarHBondContact OG-N 3.16Å
69T86.4Confident92.7Very high62 Ų6235.6 Ų35.638%0.3818%0.176SC..THydrogen-bonded Turntrans-75.6-7.4175.955.60000113.4A40 I46A40-T69 WeakPolarHBondContact O-CA 3.31Å; A40-T69 WeakPolarHBondContact O-CB 3.2Å; A40-T69 WeakPolarHBondContact O-CG2 3.39Å; I46-T69 HydrophobicContact CG1-CG2 4.19Å
70E85.1Confident93Very high156 Ų15636.1 Ų36.173%0.72919%0.186SC*.THydrogen-bonded Turntrans-85.9-18.4-178.5-61.5-171.3176.900113.5S68S68-E70 PolarHBondContact O-N 3.34Å; S68-E70 PolarHBondContact OG-N 3.16Å
71L86.6Confident93.1Very high26 Ų2637.5 Ų37.514%0.13619%0.192CC..SBendtrans-122.5140-178.3-60.5179.2000109.9I366 I367L71-I366 WeakPolarHBondContact CD1-O 3.43Å; L71-I367 VanDerWaalsContact CD1-O 3.32Å; L71-I367 WeakPolarHBondContact CD1-O 3.42Å
72P93.8Very high93.2Very high25 Ų2538.2 Ų38.216%0.16220%0.196CC..  trans-69.8151.8173.429.8-34.1000110.8R37R37-P72 HydrophobicContact CG-CB 3.75Å
73V95.6Very high93.3Very high1 Ų139.9 Ų39.91%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-97.7126.9170.9-1790000107.6R37 I38 L49 F62 R64 P66R37-V73 CarbonylContact C-O 3.35Å; R37-V73 WeakPolarHBondContact CA-O 3.19Å; I38-V73 HydrophobicContact CB-CB 4.16Å; I38-V73 PolarHBondContact N-O 3.29Å; I38-V73 PolarHBondContact O-N 3.38Å; L49-V73 HydrophobicContact CD1-CG2 4.12Å; F62-V73 HydrophobicContact CD1-CG1 3.8Å; F62-V73 HydrophobicContact CE1-CG1 3.83Å; R64-V73 VanDerWaalsContact O-CG1 3.26Å; R64-V73 WeakPolarHBondContact O-CG1 3.48Å; P66-V73 HydrophobicContact CB-CG1 4.24Å; P66-V73 HydrophobicContact CB-CG2 3.86Å
74D97.4Very high93.3Very high0 Ų041.2 Ų41.20%023%0.23CC..EExtended strand (participates in β ladder)trans-113.7121.8178.4-65.9-27.4000107.9I36 R37 W63 R64 Y318I36-D74 WeakPolarHBondContact O-CA 3.45Å; R37-D74 WeakPolarHBondContact CB-OD1 3.4Å; R37-D74 IonicContact CZ-OD1 3.59Å; R37-D74 IonicContact CZ-OD2 2.78Å; R37-D74 IonicContact NE-OD1 3.55Å; R37-D74 PolarHBondContact NE-OD1 2.64Å; R37-D74 IonicContact NE-OD2 3.96Å; R37-D74 VanDerWaalsContact NH2-CG 3.32Å; R37-D74 IonicContact NH2-OD1 3.34Å; R37-D74 PolarHBondContact NH2-OD1 3.22Å; R37-D74 VanDerWaalsContact NH2-OD1 3.12Å; R37-D74 IonicContact NH2-OD2 3.32Å; R37-D74 PolarHBondContact NH2-OD2 2.83Å; W63-D74 WeakPolarHBondContact CA-O 3.42Å; W63-D74 HydrophobicContact CB-CB 4.1Å; W63-D74 PolarHBondContact N-O 3.06Å; R64-D74 HydrophobicContact CB-CB 4.1Å; R64-D74 WeakPolarHBondContact CD-OD2 3.47Å; R64-D74 HydrophobicContact CG-CB 4.19Å; R64-D74 PolarHBondContact N-O 3.13Å; R64-D74 PolarHBondContact O-N 2.71Å; D74-Y318 WeakPolarHBondContact CB-OH 3.38Å; D74-Y318 PolarHBondContact OD2-OH 3.33Å; D74-Y318 VanDerWaalsContact OD2-OH 3.13Å
75V97.4Very high93.6Very high1 Ų139.8 Ų39.81%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-132.5126.5-176.460.70000110.9V35 I36 I38 L60 F62 V77V35-V75 WeakPolarHBondContact CA-O 3.3Å; I36-V75 HydrophobicContact CB-CG1 4.33Å; I36-V75 PolarHBondContact N-O 3.01Å; I36-V75 PolarHBondContact O-N 3.14Å; I38-V75 HydrophobicContact CD1-CG1 3.68Å; I38-V75 HydrophobicContact CG1-CG1 4.47Å; L60-V75 HydrophobicContact CB-CG2 3.92Å; L60-V75 HydrophobicContact CD1-CG2 4.39Å; F62-V75 HydrophobicContact CD1-CB 4.08Å; F62-V75 HydrophobicContact CD1-CG2 4.17Å; F62-V75 HydrophobicContact CD2-CG2 4.05Å; F62-V75 HydrophobicContact CE1-CB 4.12Å; F62-V75 HydrophobicContact CE1-CG2 4.1Å; F62-V75 HydrophobicContact CE2-CG2 3.94Å; F62-V75 HydrophobicContact CG-CB 4.45Å; F62-V75 HydrophobicContact CG-CG2 4.17Å; F62-V75 HydrophobicContact CZ-CB 4.48Å; F62-V75 HydrophobicContact CZ-CG2 3.99Å; V75-V77 HydrophobicContact CG1-CG2 4.01Å; V75-V77 HydrophobicContact CG2-CG2 4.24Å
76R97.9Very high93.9Very high4 Ų440.4 Ų40.42%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-78.5121.6165.9-177.6-172.362.972.49108.7D33 Q34 V35 D61 V103D33-R76 HydrophobicContact CB-CG 4.29Å; D33-R76 IonicContact OD2-CZ 3.69Å; D33-R76 IonicContact OD2-NH1 3.91Å; D33-R76 PolarHBondContact OD2-NH1 2.95Å; Q34-R76 CarbonylContact O-C 3.59Å; Q34-R76 WeakPolarHBondContact O-CA 3.37Å; V35-R76 HydrophobicContact CG2-CB 4.12Å; V35-R76 HydrophobicContact CG2-CG 4.4Å; D61-R76 HydrophobicContact CB-CB 4.15Å; D61-R76 PolarHBondContact N-O 3.19Å; D61-R76 VanDerWaalsContact N-O 3.12Å; D61-R76 PolarHBondContact O-N 3.11Å; D61-R76 IonicContact OD2-CZ 2.97Å; D61-R76 IonicContact OD2-NE 2.68Å; D61-R76 PolarHBondContact OD2-NE 3.08Å; D61-R76 IonicContact OD2-NH2 3.13Å; R76-V103 HydrophobicContact CG-CG2 4.32Å
77V98Very high94.3Very high0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-111.5122.3-179.1-176.10000109D33 Q34 I36 L60 V75 H81 L82 V85D33-V77 WeakPolarHBondContact CA-O 3.4Å; Q34-V77 PolarHBondContact N-O 2.78Å; Q34-V77 VanDerWaalsContact N-O 3.16Å; Q34-V77 PolarHBondContact O-N 3.49Å; I36-V77 HydrophobicContact CD1-CG2 4Å; I36-V77 HydrophobicContact CG1-CG2 4.39Å; L60-V77 HydrophobicContact CD2-CB 4.31Å; L60-V77 HydrophobicContact CD2-CG1 3.96Å; L60-V77 HydrophobicContact CD2-CG2 4.16Å; V75-V77 HydrophobicContact CG1-CG2 4.01Å; V75-V77 HydrophobicContact CG2-CG2 4.24Å; V77-H81 HydrophobicContact CG1-CB 4.3Å; V77-L82 HydrophobicContact CB-CD2 3.62Å; V77-L82 HydrophobicContact CG1-CD2 3.67Å; V77-L82 HydrophobicContact CG1-CG 4.17Å; V77-V85 HydrophobicContact CG1-CB 4.01Å; V77-V85 HydrophobicContact CG1-CG1 4.4Å; V77-V85 HydrophobicContact CG1-CG2 3.78Å; V77-V85 HydrophobicContact CG2-CG1 4.12Å
78P97.5Very high94.8Very high11 Ų1146.9 Ų46.97%0.07125%0.251CS..  trans-58.4142.9176.2-24.633.8000112.5D33 N59 S80 H81 L82D33-P78 VanDerWaalsContact OD1-CA 3.24Å; D33-P78 WeakPolarHBondContact OD1-CA 3.29Å; N59-P78 HydrophobicContact CB-CG 4.47Å; N59-P78 WeakPolarHBondContact O-CG 3.17Å; P78-S80 PolarHBondContact O-N 3.44Å; P78-H81 PolarHBondContact O-N 3.32Å; P78-L82 PolarHBondContact O-N 3.16Å
79R97.4Very high95.4Very high165 Ų16545.4 Ų45.462%0.62324%0.241SC*.G310 helixtrans-47.5-42-179.9-173.9-177.9175124.11.4113.5T31 G32 D33 H81 L82T31-R79 WeakPolarHBondContact O-CD 3.46Å; G32-R79 WeakPolarHBondContact O-CB 3.48Å; D33-R79 PolarHBondContact OD1-N 2.81Å; R79-H81 PolarHBondContact O-N 3.37Å; R79-L82 PolarHBondContact O-N 2.89Å
80S96.9Very high95.9Very high97 Ų9748.4 Ų48.468%0.67825%0.25SS*.G310 helixtrans-63-22.2-179.553.70000114.2P78P78-S80 PolarHBondContact O-N 3.44Å
81H96.9Very high96.5Very high55 Ų5544.8 Ų44.826%0.25525%0.247SC..G310 helixtrans-111.2-6.8-175.3-64.1-55.8000113.5W58 V77 P78 R79 G83 A84 V85W58-H81 HydrophobicContact CE3-CB 4.01Å; W58-H81 PolarHBondContact O-CD2 2.88Å; V77-H81 HydrophobicContact CG1-CB 4.3Å; P78-H81 PolarHBondContact O-N 3.32Å; R79-H81 PolarHBondContact O-N 3.37Å; H81-G83 PolarHBondContact O-N 3.49Å; H81-A84 PolarHBondContact O-N 3.05Å; H81-V85 HydrophobicContact CB-CG2 4.47Å; H81-V85 WeakPolarHBondContact O-CG2 3.41Å; H81-V85 PolarHBondContact O-N 3.2Å
82L96.1Very high97Very high21 Ų2147 Ų4711%0.1126%0.257CS..Hα-helixtrans-53.6-48.7-176.1-77.6173.7000114G32 Q34 I36 V77 P78 R79 A84 V85 K86G32-L82 VanDerWaalsContact O-CD1 3.26Å; G32-L82 WeakPolarHBondContact O-CD1 3.41Å; Q34-L82 HydrophobicContact CB-CD1 4.4Å; Q34-L82 HydrophobicContact CB-CD2 3.64Å; Q34-L82 HydrophobicContact CG-CD1 3.77Å; Q34-L82 HydrophobicContact CG-CD2 3.89Å; I36-L82 HydrophobicContact CD1-CD2 4.31Å; V77-L82 HydrophobicContact CB-CD2 3.62Å; V77-L82 HydrophobicContact CG1-CD2 3.67Å; V77-L82 HydrophobicContact CG1-CG 4.17Å; P78-L82 PolarHBondContact O-N 3.16Å; R79-L82 PolarHBondContact O-N 2.89Å; L82-A84 PolarHBondContact O-N 3Å; L82-V85 PolarHBondContact O-N 3.17Å; L82-K86 WeakPolarHBondContact O-CB 3.5Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.46Å; L82-K86 PolarHBondContact O-N 3.36Å
83G97.3Very high97.2Very high44 Ų4450.3 Ų50.345%0.45428%0.28SS..Hα-helixtrans-59.1-50.6-17900000111.5H81 V85 K86 E87H81-G83 PolarHBondContact O-N 3.49Å; G83-V85 PolarHBondContact O-N 2.55Å; G83-K86 PolarHBondContact O-N 3.42Å; G83-E87 WeakPolarHBondContact O-CB 3.24Å; G83-E87 WeakPolarHBondContact O-CG 3.19Å; G83-E87 PolarHBondContact O-N 2.98Å
84A96.9Very high97.3Very high42 Ų4250.4 Ų50.435%0.34728%0.281SS..Hα-helixtrans-68.6-34.3-177.200000113.1W58 H81 L82 Y88W58-A84 HydrophobicContact CH2-CB 3.72Å; W58-A84 HydrophobicContact CZ3-CB 3.48Å; W58-A84 VanDerWaalsContact CZ3-CB 3.48Å; H81-A84 PolarHBondContact O-N 3.05Å; L82-A84 PolarHBondContact O-N 3Å; A84-Y88 WeakPolarHBondContact O-CB 3.47Å; A84-Y88 PolarHBondContact O-N 3.14Å
85V96.9Very high97.3Very high0 Ų052.6 Ų52.60%030%0.295CS..Hα-helixtrans-68.9-44.3173.3173.20000111.2W58 L60 V77 H81 L82 G83 E87 Y88 L89W58-V85 HydrophobicContact CE3-CG2 3.66Å; W58-V85 HydrophobicContact CZ3-CG2 3.76Å; L60-V85 HydrophobicContact CD2-CG2 4.09Å; V77-V85 HydrophobicContact CG1-CB 4.01Å; V77-V85 HydrophobicContact CG1-CG1 4.4Å; V77-V85 HydrophobicContact CG1-CG2 3.78Å; V77-V85 HydrophobicContact CG2-CG1 4.12Å; H81-V85 HydrophobicContact CB-CG2 4.47Å; H81-V85 WeakPolarHBondContact O-CG2 3.41Å; H81-V85 PolarHBondContact O-N 3.2Å; L82-V85 PolarHBondContact O-N 3.17Å; G83-V85 PolarHBondContact O-N 2.55Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 3.19Å; V85-Y88 WeakPolarHBondContact O-CB 3.43Å; V85-Y88 PolarHBondContact O-N 3.41Å; V85-L89 HydrophobicContact CG1-CD1 4.21Å; V85-L89 HydrophobicContact CG1-CG 4.48Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.31Å
86K97.8Very high97.3Very high54 Ų5454.5 Ų54.524%0.23530%0.303CS..Hα-helixtrans-63.1-41.4177.3-71.2-178.4-179-179.30111.6Q34 I36 L82 G83 L89 H90 F96Q34-K86 VanDerWaalsContact OE1-CE 3.31Å; I36-K86 HydrophobicContact CD1-CG 4.15Å; L82-K86 WeakPolarHBondContact O-CB 3.5Å; L82-K86 VanDerWaalsContact O-CG 3.31Å; L82-K86 WeakPolarHBondContact O-CG 3.46Å; L82-K86 PolarHBondContact O-N 3.36Å; G83-K86 PolarHBondContact O-N 3.42Å; K86-L89 PolarHBondContact O-N 3.46Å; K86-H90 WeakPolarHBondContact O-CB 3.47Å; K86-H90 PolarHBondContact O-CD2 3.11Å; K86-H90 PolarHBondContact O-N 2.73Å; K86-F96 HydrophobicContact CB-CE1 4.45Å; K86-F96 HydrophobicContact CB-CZ 3.91Å; K86-F96 HydrophobicContact CD-CE2 4.09Å; K86-F96 HydrophobicContact CD-CZ 4.03Å; K86-F96 HydrophobicContact CG-CE1 4.47Å; K86-F96 HydrophobicContact CG-CE2 3.9Å; K86-F96 HydrophobicContact CG-CZ 3.64Å
87E97.6Very high97.3Very high139 Ų13958 Ų5865%0.6533%0.325SS*.Hα-helixtrans-60.3-43.4172.8-76.1173.9-171.300111.9G83 V85 L89 H90 A91G83-E87 WeakPolarHBondContact O-CB 3.24Å; G83-E87 WeakPolarHBondContact O-CG 3.19Å; G83-E87 PolarHBondContact O-N 2.98Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 3.19Å; E87-L89 PolarHBondContact O-N 3.49Å; E87-H90 PolarHBondContact O-N 3.4Å; E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.24Å
88Y96.6Very high97.3Very high51 Ų5160.3 Ų60.320%0.234%0.339CS..Hα-helixtrans-58.6-47.3174.9177.8-89.6000111.8L48 L52 A84 V85 A91 H92L48-Y88 PolarHBondContact O-OH 3.2Å; L52-Y88 HydrophobicContact CB-CE1 4.45Å; L52-Y88 HydrophobicContact CD2-CD1 4.14Å; L52-Y88 HydrophobicContact CD2-CE1 4.19Å; A84-Y88 WeakPolarHBondContact O-CB 3.47Å; A84-Y88 PolarHBondContact O-N 3.14Å; V85-Y88 WeakPolarHBondContact O-CB 3.43Å; V85-Y88 PolarHBondContact O-N 3.41Å; Y88-A91 PolarHBondContact O-N 3.39Å; Y88-H92 AromaticContact CD2-CE1 3.58Å; Y88-H92 AromaticContact CD2-ND1 3.84Å; Y88-H92 AromaticContact CE2-CE1 3.29Å; Y88-H92 WeakPolarHBondContact CE2-CE1 3.41Å; Y88-H92 AromaticContact CE2-ND1 3.75Å; Y88-H92 AromaticContact CZ-CE1 3.7Å; Y88-H92 AromaticContact CZ-ND1 3.82Å; Y88-H92 PolarHBondContact O-N 2.9Å; Y88-H92 PolarHBondContact O-ND1 3.47Å
89L97.5Very high97.3Very high0 Ų061.4 Ų61.40%034%0.343CS..Hα-helixtrans-63.7-44.4178.7-64.5172.9000111.6I38 L49 V85 K86 E87 H92 S93 I94 F96I38-L89 HydrophobicContact CD1-CD1 3.91Å; I38-L89 HydrophobicContact CD1-CD2 3.94Å; I38-L89 HydrophobicContact CG1-CD1 4.08Å; I38-L89 HydrophobicContact CG1-CD2 4.5Å; I38-L89 HydrophobicContact CG2-CD2 4.34Å; L49-L89 HydrophobicContact CD2-CD2 3.79Å; V85-L89 HydrophobicContact CG1-CD1 4.21Å; V85-L89 HydrophobicContact CG1-CG 4.48Å; V85-L89 WeakPolarHBondContact O-CG 3.45Å; V85-L89 PolarHBondContact O-N 3.31Å; K86-L89 PolarHBondContact O-N 3.46Å; E87-L89 PolarHBondContact O-N 3.49Å; L89-H92 PolarHBondContact O-N 3.38Å; L89-S93 PolarHBondContact O-N 3.12Å; L89-I94 HydrophobicContact CB-CB 4.35Å; L89-I94 HydrophobicContact CD2-CB 4.02Å; L89-I94 HydrophobicContact CD2-CD1 4.11Å; L89-I94 HydrophobicContact CD2-CG2 3.9Å; L89-I94 PolarHBondContact O-N 3.44Å; L89-F96 HydrophobicContact CB-CD1 3.74Å; L89-F96 HydrophobicContact CB-CE1 3.99Å; L89-F96 HydrophobicContact CD1-CB 4.09Å; L89-F96 HydrophobicContact CD1-CD1 3.63Å; L89-F96 HydrophobicContact CD1-CE1 4.2Å; L89-F96 HydrophobicContact CD1-CG 3.87Å; L89-F96 HydrophobicContact CG-CD1 4.33Å
90H97.9Very high97.3Very high125 Ų12553.9 Ų53.958%0.57932%0.316SS*.Hα-helixtrans-62.2-43.3176.1-74.3-51.9000112.7K86 E87 H92 S93 F96K86-H90 WeakPolarHBondContact O-CB 3.47Å; K86-H90 PolarHBondContact O-CD2 3.11Å; K86-H90 PolarHBondContact O-N 2.73Å; E87-H90 PolarHBondContact O-N 3.4Å; H90-H92 PolarHBondContact O-N 3.18Å; H90-S93 PolarHBondContact O-N 3.22Å; H90-F96 AromaticContact CE1-CE1 3.52Å; H90-F96 AromaticContact CE1-CZ 3.88Å; H90-F96 AromaticContact NE2-CE1 3.52Å; H90-F96 AromaticContact NE2-CZ 3.54Å
91A97.6Very high97.3Very high80 Ų8054.8 Ų54.866%0.66131%0.313SS*.Hα-helixtrans-61.5-30.6179.900000112.8E87 Y88E87-A91 VanDerWaalsContact O-CB 3.29Å; E87-A91 WeakPolarHBondContact O-CB 3.34Å; E87-A91 PolarHBondContact O-N 3.24Å; Y88-A91 PolarHBondContact O-N 3.39Å
92H97Very high97.3Very high73 Ų7353.5 Ų53.534%0.33831%0.308SS..THydrogen-bonded Turntrans-97.610.6177.5-6190.2000113.4L48 Y88 L89 H90 I94L48-H92 HydrophobicContact CD1-CB 3.98Å; Y88-H92 AromaticContact CD2-CE1 3.58Å; Y88-H92 AromaticContact CD2-ND1 3.84Å; Y88-H92 AromaticContact CE2-CE1 3.29Å; Y88-H92 WeakPolarHBondContact CE2-CE1 3.41Å; Y88-H92 AromaticContact CE2-ND1 3.75Å; Y88-H92 AromaticContact CZ-CE1 3.7Å; Y88-H92 AromaticContact CZ-ND1 3.82Å; Y88-H92 PolarHBondContact O-N 2.9Å; Y88-H92 PolarHBondContact O-ND1 3.47Å; L89-H92 PolarHBondContact O-N 3.38Å; H90-H92 PolarHBondContact O-N 3.18Å; H92-I94 HydrophobicContact CB-CD1 3.83Å; H92-I94 HydrophobicContact CB-CG1 3.89Å; H92-I94 PolarHBondContact O-N 2.91Å
93S97.5Very high97.4Very high94 Ų9452.5 Ų52.566%0.65730%0.303SS*.THydrogen-bonded Turntrans53.135.9-177.7-55.70000113.3Q45 L89 H90Q45-S93 PolarHBondContact NE2-O 2.84Å; L89-S93 PolarHBondContact O-N 3.12Å; H90-S93 PolarHBondContact O-N 3.22Å
94I97.9Very high97.5Very high3 Ų350.9 Ų50.92%0.01528%0.283CS..  trans-90.8114.4177.8-59.6173.2000107.9I38 Q45 L48 L49 L89 H92I38-I94 HydrophobicContact CG2-CG2 3.26Å; Q45-I94 HydrophobicContact CB-CD1 4.31Å; Q45-I94 HydrophobicContact CB-CG1 4.13Å; Q45-I94 HydrophobicContact CG-CD1 4.32Å; Q45-I94 HydrophobicContact CG-CG1 3.75Å; L48-I94 HydrophobicContact CB-CD1 4.44Å; L48-I94 HydrophobicContact CD1-CD1 4.48Å; L49-I94 HydrophobicContact CD2-CD1 4.31Å; L49-I94 HydrophobicContact CG-CD1 4.4Å; L89-I94 HydrophobicContact CB-CB 4.35Å; L89-I94 HydrophobicContact CD2-CB 4.02Å; L89-I94 HydrophobicContact CD2-CD1 4.11Å; L89-I94 HydrophobicContact CD2-CG2 3.9Å; L89-I94 PolarHBondContact O-N 3.44Å; H92-I94 HydrophobicContact CB-CD1 3.83Å; H92-I94 HydrophobicContact CB-CG1 3.89Å; H92-I94 PolarHBondContact O-N 2.91Å
95P97.4Very high97.5Very high46 Ų4654.6 Ų54.630%0.29929%0.294SS..  trans-72.5143.518031.3-34.3000110.8D39 Q41D39-P95 HydrophobicContact CB-CG 4.19Å; D39-P95 PolarHBondContact N-O 3.12Å; D39-P95 WeakPolarHBondContact O-CD 3.45Å; D39-P95 WeakPolarHBondContact O-CG 3.15Å; Q41-P95 HydrophobicContact CG-CG 4.12Å
96F97.7Very high97.6Very high40 Ų4056 Ų5618%0.17530%0.301CS..EExtended strand (participates in β ladder)trans-150158.817872.4-93.1000112I36 R37 I38 K86 L89 H90I36-F96 HydrophobicContact CG2-CB 3.61Å; I36-F96 HydrophobicContact CG2-CD2 3.49Å; I36-F96 VanDerWaalsContact CG2-CD2 3.49Å; I36-F96 HydrophobicContact CG2-CE2 4.45Å; I36-F96 HydrophobicContact CG2-CG 3.82Å; R37-F96 CarbonylContact O-C 3.03Å; R37-F96 WeakPolarHBondContact O-CA 3.45Å; R37-F96 VanDerWaalsContact O-CB 3.3Å; R37-F96 WeakPolarHBondContact O-CB 3.31Å; I38-F96 HydrophobicContact CG1-CB 4.06Å; K86-F96 HydrophobicContact CB-CE1 4.45Å; K86-F96 HydrophobicContact CB-CZ 3.91Å; K86-F96 HydrophobicContact CD-CE2 4.09Å; K86-F96 HydrophobicContact CD-CZ 4.03Å; K86-F96 HydrophobicContact CG-CE1 4.47Å; K86-F96 HydrophobicContact CG-CE2 3.9Å; K86-F96 HydrophobicContact CG-CZ 3.64Å; L89-F96 HydrophobicContact CB-CD1 3.74Å; L89-F96 HydrophobicContact CB-CE1 3.99Å; L89-F96 HydrophobicContact CD1-CB 4.09Å; L89-F96 HydrophobicContact CD1-CD1 3.63Å; L89-F96 HydrophobicContact CD1-CE1 4.2Å; L89-F96 HydrophobicContact CD1-CG 3.87Å; L89-F96 HydrophobicContact CG-CD1 4.33Å; H90-F96 AromaticContact CE1-CE1 3.52Å; H90-F96 AromaticContact CE1-CZ 3.88Å; H90-F96 AromaticContact NE2-CE1 3.52Å; H90-F96 AromaticContact NE2-CZ 3.54Å
97T97.5Very high97.6Very high78 Ų7853.6 Ų53.648%0.47929%0.29SS..EExtended strand (participates in β ladder)trans-130.4140.2174.5-580000109.4I36 R37 M99I36-T97 WeakPolarHBondContact CA-O 3.32Å; R37-T97 PolarHBondContact N-O 3.07Å; R37-T97 PolarHBondContact O-N 3.35Å; T97-M99 PolarHBondContact O-N 3.15Å
98V97.4Very high97.6Very high49 Ų4951 Ų5130%0.29728%0.281SS..EExtended strand (participates in β ladder)trans-78.8115.1170.5179.70000108Q34 D101Q34-V98 HydrophobicContact CB-CG1 4.29Å; Q34-V98 HydrophobicContact CG-CG1 4.33Å; V98-D101 HydrophobicContact CG1-CB 4.47Å
99M96.9Very high97.6Very high33 Ų3353.9 Ų53.916%0.16330%0.296CS..EExtended strand (participates in β ladder)trans-86.8-44.3179.3-65.8-61.2-60.400111.4V35 R37 T97 W396V35-M99 PolarHBondContact O-N 2.92Å; R37-M99 HydrophobicContact CB-CG 3.46Å; R37-M99 VanDerWaalsContact CB-CG 3.46Å; R37-M99 HydrophobicContact CB-SD 3.87Å; T97-M99 PolarHBondContact O-N 3.15Å; M99-W396 HydrophobicContact CE-CD2 4.04Å; M99-W396 HydrophobicContact CE-CE3 4.18Å; M99-W396 HydrophobicContact CE-CG 4.32Å
100I97.6Very high97.7Very high8 Ų854.4 Ų54.44%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-124.8119.1178.7-60.2168.6000107.2Q34 V35 W63 V103 L106 W396Q34-I100 VanDerWaalsContact CA-O 3.25Å; Q34-I100 WeakPolarHBondContact CA-O 3.48Å; Q34-I100 WeakPolarHBondContact CB-O 3.35Å; V35-I100 HydrophobicContact CB-CB 3.94Å; V35-I100 HydrophobicContact CB-CD1 4.04Å; V35-I100 HydrophobicContact CB-CG1 4.2Å; V35-I100 HydrophobicContact CG2-CB 4.13Å; V35-I100 HydrophobicContact CG2-CD1 3.84Å; V35-I100 HydrophobicContact CG2-CG1 4.41Å; V35-I100 PolarHBondContact N-O 3.33Å; V35-I100 PolarHBondContact O-N 2.88Å; W63-I100 HydrophobicContact CH2-CD1 3.94Å; W63-I100 HydrophobicContact CZ3-CD1 3.83Å; I100-V103 HydrophobicContact CG2-CG2 3.99Å; I100-L106 HydrophobicContact CD1-CD1 3.84Å; I100-L106 HydrophobicContact CG1-CD1 4.05Å; I100-L106 HydrophobicContact CG2-CD1 3.71Å; I100-L106 HydrophobicContact CG2-CG 4.36Å; I100-W396 WeakPolarHBondContact CG1-O 3.33Å
101D97.3Very high97.6Very high115 Ų11550.2 Ų50.262%0.61528%0.279SS*.SBendtrans-82.3-32.1-174.5-165.157.8000113.4Q34 V98Q34-D101 VanDerWaalsContact CG-O 3.25Å; Q34-D101 WeakPolarHBondContact CG-O 3.33Å; Q34-D101 PolarHBondContact NE2-O 2.69Å; Q34-D101 PolarHBondContact NE2-OD1 2.85Å; V98-D101 HydrophobicContact CG1-CB 4.47Å
102D97.9Very high97.6Very high28 Ų2848.5 Ų48.515%0.1527%0.265CS..  trans-144109.8169.5-166.4-23.6000109.8G32 D33 Q104 E105G32-D102 VanDerWaalsContact N-CG 3.26Å; G32-D102 PolarHBondContact N-OD1 3.4Å; G32-D102 PolarHBondContact N-OD2 3.29Å; G32-D102 VanDerWaalsContact N-OD2 3.12Å; D33-D102 WeakPolarHBondContact O-CA 3.49Å; D102-Q104 PolarHBondContact O-N 2.93Å; D102-Q104 VanDerWaalsContact OD1-CB 3.25Å; D102-Q104 WeakPolarHBondContact OD1-CB 3.14Å; D102-Q104 PolarHBondContact OD1-N 3.1Å; D102-E105 HydrophobicContact CB-CB 4.4Å; D102-E105 HydrophobicContact CB-CG 3.9Å; D102-E105 PolarHBondContact O-N 2.76Å
103V98.1Very high97.6Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-60.5-34177.2172.10000111.4F30 D33 V35 R76 I100 E105 L106 L107 I400F30-V103 HydrophobicContact CB-CB 4.01Å; F30-V103 HydrophobicContact CB-CG1 3.78Å; F30-V103 HydrophobicContact CG-CG1 4.14Å; D33-V103 HydrophobicContact CB-CB 4.25Å; D33-V103 HydrophobicContact CB-CG2 4.25Å; D33-V103 WeakPolarHBondContact O-CG2 3.33Å; D33-V103 PolarHBondContact O-N 2.74Å; V35-V103 HydrophobicContact CG2-CG2 3.81Å; R76-V103 HydrophobicContact CG-CG2 4.32Å; I100-V103 HydrophobicContact CG2-CG2 3.99Å; V103-E105 VanDerWaalsContact C-N 3.3Å; V103-E105 PolarHBondContact O-N 3.03Å; V103-L106 PolarHBondContact O-N 3.2Å; V103-L107 HydrophobicContact CG1-CD1 4.14Å; V103-L107 HydrophobicContact CG1-CG 4.32Å; V103-L107 WeakPolarHBondContact O-CG 3.24Å; V103-L107 PolarHBondContact O-N 3.1Å; V103-I400 HydrophobicContact CG1-CD1 3.82Å
104Q98.2Very high97.6Very high10 Ų1045.3 Ų45.35%0.04724%0.24CC..Hα-helixtrans-65.1-33.7-178.5-170.862.355.700112.3D102 L106 L107 D108D102-Q104 PolarHBondContact O-N 2.93Å; D102-Q104 VanDerWaalsContact OD1-CB 3.25Å; D102-Q104 WeakPolarHBondContact OD1-CB 3.14Å; D102-Q104 PolarHBondContact OD1-N 3.1Å; Q104-L106 VanDerWaalsContact C-N 3.35Å; Q104-L106 PolarHBondContact O-N 2.72Å; Q104-L107 PolarHBondContact O-N 3.35Å; Q104-D108 PolarHBondContact NE2-OD1 3.32Å; Q104-D108 WeakPolarHBondContact O-CB 3.33Å; Q104-D108 VanDerWaalsContact O-CG 3.22Å; Q104-D108 PolarHBondContact O-N 3.44Å
105E97.9Very high97.5Very high121 Ų12153.3 Ų53.357%0.56527%0.27SS*.Hα-helixtrans-63.3-41.5178.8-70.1-173.1170.500111.9D102 V103 D108 Q109D102-E105 HydrophobicContact CB-CB 4.4Å; D102-E105 HydrophobicContact CB-CG 3.9Å; D102-E105 PolarHBondContact O-N 2.76Å; V103-E105 VanDerWaalsContact C-N 3.3Å; V103-E105 PolarHBondContact O-N 3.03Å; E105-D108 PolarHBondContact O-N 3.38Å; E105-Q109 WeakPolarHBondContact O-CG 3.36Å; E105-Q109 PolarHBondContact O-N 3.17Å; E105-Q109 VanDerWaalsContact O-N 3.1Å
106L97.6Very high97.5Very high29 Ų2957.1 Ų57.115%0.15228%0.284CS..Hα-helixtrans-66.3-39.3175.4-62.7-177.6000111.6I100 V103 Q104 Q109 E110 Y397 I400I100-L106 HydrophobicContact CD1-CD1 3.84Å; I100-L106 HydrophobicContact CG1-CD1 4.05Å; I100-L106 HydrophobicContact CG2-CD1 3.71Å; I100-L106 HydrophobicContact CG2-CG 4.36Å; V103-L106 PolarHBondContact O-N 3.2Å; Q104-L106 VanDerWaalsContact C-N 3.35Å; Q104-L106 PolarHBondContact O-N 2.72Å; L106-Q109 PolarHBondContact O-N 2.71Å; L106-E110 WeakPolarHBondContact O-CB 3.3Å; L106-E110 PolarHBondContact O-N 3.47Å; L106-Y397 HydrophobicContact CD1-CD1 4.27Å; L106-Y397 HydrophobicContact CD2-CD1 4.29Å; L106-Y397 HydrophobicContact CD2-CE1 4.25Å; L106-I400 HydrophobicContact CB-CB 4.4Å; L106-I400 HydrophobicContact CB-CD1 4.22Å; L106-I400 HydrophobicContact CB-CG2 3.82Å; L106-I400 HydrophobicContact CD1-CD1 4.47Å
107L98Very high97.4Very high3 Ų355.5 Ų55.52%0.01628%0.277CS..Hα-helixtrans-67.8-36.1177.1-66.2-175.5000112.8F30 V103 Q104 Q109 E110 K111 R244 M245 I400F30-L107 HydrophobicContact CB-CD1 4.46Å; F30-L107 HydrophobicContact CD2-CD1 3.37Å; F30-L107 HydrophobicContact CE2-CD1 3.88Å; F30-L107 HydrophobicContact CG-CD1 4.17Å; V103-L107 HydrophobicContact CG1-CD1 4.14Å; V103-L107 HydrophobicContact CG1-CG 4.32Å; V103-L107 WeakPolarHBondContact O-CG 3.24Å; V103-L107 PolarHBondContact O-N 3.1Å; Q104-L107 PolarHBondContact O-N 3.35Å; L107-Q109 VanDerWaalsContact C-N 3.35Å; L107-E110 PolarHBondContact O-N 2.89Å; L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.4Å; L107-K111 PolarHBondContact O-N 2.85Å; L107-R244 HydrophobicContact CD1-CB 4.33Å; L107-R244 HydrophobicContact CD1-CG 4.4Å; L107-R244 HydrophobicContact CD2-CB 4.26Å; L107-R244 HydrophobicContact CD2-CG 3.46Å; L107-R244 VanDerWaalsContact CD2-CG 3.46Å; L107-M245 HydrophobicContact CD2-CE 4.19Å; L107-I400 HydrophobicContact CD2-CD1 3.67Å; L107-I400 HydrophobicContact CD2-CG1 3.93Å; L107-I400 HydrophobicContact CD2-CG2 3.89Å; L107-I400 HydrophobicContact CG-CD1 4.08Å
108D98Very high97.2Very high86 Ų8655.8 Ų55.846%0.4628%0.275SS..Hα-helixtrans-67.7-38.6176.5-72.2-12.9000110.9Q104 E105 A112Q104-D108 PolarHBondContact NE2-OD1 3.32Å; Q104-D108 WeakPolarHBondContact O-CB 3.33Å; Q104-D108 VanDerWaalsContact O-CG 3.22Å; Q104-D108 PolarHBondContact O-N 3.44Å; E105-D108 PolarHBondContact O-N 3.38Å; D108-A112 WeakPolarHBondContact O-CB 3.45Å; D108-A112 PolarHBondContact O-N 2.89Å
109Q97.6Very high97.1Very high110 Ų11058.5 Ų58.551%0.51429%0.287SS..Hα-helixtrans-62.8-50.2171.6-70.2171.520.900111.6E105 L106 L107 K111 A112 E113E105-Q109 WeakPolarHBondContact O-CG 3.36Å; E105-Q109 PolarHBondContact O-N 3.17Å; E105-Q109 VanDerWaalsContact O-N 3.1Å; L106-Q109 PolarHBondContact O-N 2.71Å; L107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.42Å; Q109-A112 PolarHBondContact O-N 3.09Å; Q109-A112 VanDerWaalsContact O-N 3.12Å; Q109-E113 WeakPolarHBondContact O-CG 3.16Å; Q109-E113 PolarHBondContact O-N 3.5Å
110E98Very high96.9Very high11 Ų1163.9 Ų63.95%0.05131%0.306CS..Hα-helixtrans-54.9-47.3177.2-176.7-175.8-110.400111.3L106 L107 A112 E113 M114 Y132 W193 R244 I400L106-E110 WeakPolarHBondContact O-CB 3.3Å; L106-E110 PolarHBondContact O-N 3.47Å; L107-E110 PolarHBondContact O-N 2.89Å; E110-A112 PolarHBondContact O-N 3.12Å; E110-E113 PolarHBondContact O-N 2.6Å; E110-M114 HydrophobicContact CG-SD 4.33Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.23Å; E110-M114 PolarHBondContact O-N 3.45Å; E110-Y132 HydrophobicContact CG-CD2 4.25Å; E110-W193 HydrophobicContact CG-CE3 4.48Å; E110-W193 HydrophobicContact CG-CZ3 4.05Å; E110-W193 WeakPolarHBondContact OE2-CZ3 3.47Å; E110-R244 IonicContact OE1-CZ 3.74Å; E110-R244 IonicContact OE1-NE 2.76Å; E110-R244 PolarHBondContact OE1-NE 3.16Å; E110-R244 IonicContact OE1-NH2 3.39Å; E110-R244 PolarHBondContact OE1-NH2 2.92Å; E110-R244 IonicContact OE2-CZ 2.72Å; E110-R244 IonicContact OE2-NE 3.11Å; E110-R244 PolarHBondContact OE2-NE 3.48Å; E110-R244 IonicContact OE2-NH2 3.1Å; E110-I400 HydrophobicContact CB-CG2 4.45Å
111K96.8Very high96.7Very high37 Ų3764.7 Ų64.716%0.16131%0.309CS..Hα-helixtrans-64.6-39177.5-74.1174.6-172.1175.60112.8E27 L107 Q109 R115E27-K111 WeakPolarHBondContact OE1-CE 2.91Å; E27-K111 IonicContact OE1-NZ 3.47Å; E27-K111 PolarHBondContact OE1-NZ 2.9Å; E27-K111 IonicContact OE2-NZ 2.61Å; E27-K111 PolarHBondContact OE2-NZ 3Å; L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.4Å; L107-K111 PolarHBondContact O-N 2.85Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.42Å; K111-R115 WeakPolarHBondContact O-CB 3.33Å; K111-R115 VanDerWaalsContact O-CG 3.25Å; K111-R115 WeakPolarHBondContact O-CG 3.32Å; K111-R115 PolarHBondContact O-N 3.35Å
112A97.7Very high96.5Very high45 Ų4569.3 Ų69.337%0.37232%0.318SS..Hα-helixtrans-63.4-48.5176.900000110.7D108 Q109 E110 M114 R115 E116D108-A112 WeakPolarHBondContact O-CB 3.45Å; D108-A112 PolarHBondContact O-N 2.89Å; Q109-A112 PolarHBondContact O-N 3.09Å; Q109-A112 VanDerWaalsContact O-N 3.12Å; E110-A112 PolarHBondContact O-N 3.12Å; A112-M114 VanDerWaalsContact C-N 3.35Å; A112-M114 PolarHBondContact O-N 2.88Å; A112-R115 PolarHBondContact O-N 3.38Å; A112-E116 WeakPolarHBondContact O-CG 3.11Å; A112-E116 PolarHBondContact O-N 3.18Å
113E97.3Very high96.1Very high76 Ų7673.9 Ų73.936%0.35534%0.342SS..Hα-helixtrans-58.4-44.5176.6-70.7-177.5169.900111.8Q109 E110 R115 E116 N117 A403Q109-E113 WeakPolarHBondContact O-CG 3.16Å; Q109-E113 PolarHBondContact O-N 3.5Å; E110-E113 PolarHBondContact O-N 2.6Å; E113-R115 PolarHBondContact O-N 3.06Å; E113-E116 PolarHBondContact O-N 2.75Å; E113-N117 WeakPolarHBondContact O-CB 3.37Å; E113-N117 PolarHBondContact O-N 2.91Å; E113-A403 VanDerWaalsContact OE2-CB 3.26Å; E113-A403 WeakPolarHBondContact OE2-CB 3.18Å; E113-A403 PolarHBondContact OE2-N 3.18Å
114M97.2Very high95.8Very high23 Ų2377.3 Ų77.311%0.11336%0.363CS..Hα-helixtrans-62.4-42.7176.3-73.6178.272.600112.4E110 A112 N117 L118 W193E110-M114 HydrophobicContact CG-SD 4.33Å; E110-M114 VanDerWaalsContact O-CG 3.31Å; E110-M114 WeakPolarHBondContact O-CG 3.23Å; E110-M114 PolarHBondContact O-N 3.45Å; A112-M114 VanDerWaalsContact C-N 3.35Å; A112-M114 PolarHBondContact O-N 2.88Å; M114-N117 PolarHBondContact O-N 2.89Å; M114-L118 WeakPolarHBondContact O-CG 3.25Å; M114-L118 PolarHBondContact O-N 2.97Å; M114-W193 HydrophobicContact CE-CH2 4.38Å; M114-W193 HydrophobicContact CE-CZ3 4.21Å; M114-W193 HydrophobicContact SD-CH2 4.04Å; M114-W193 HydrophobicContact SD-CZ3 3.51Å; M114-W193 VanDerWaalsContact SD-CZ3 3.51Å
115R96.1Very high95.4Very high172 Ų17287.6 Ų87.665%0.64940%0.402SS*.Hα-helixtrans-63.6-42.8177.4-74172.7-171.5-173.95.6111.7K111 A112 E113 N117 L118 I119K111-R115 WeakPolarHBondContact O-CB 3.33Å; K111-R115 VanDerWaalsContact O-CG 3.25Å; K111-R115 WeakPolarHBondContact O-CG 3.32Å; K111-R115 PolarHBondContact O-N 3.35Å; A112-R115 PolarHBondContact O-N 3.38Å; E113-R115 PolarHBondContact O-N 3.06Å; R115-N117 VanDerWaalsContact C-N 3.32Å; R115-L118 PolarHBondContact O-N 3.39Å; R115-I119 WeakPolarHBondContact O-CG1 3.45Å; R115-I119 PolarHBondContact O-N 3.01Å
116E96.4Very high95.1Very high125 Ų12587.1 Ų87.158%0.58440%0.403SS*.Hα-helixtrans-62.9-40.5175-71.5-175.3178.900111.7A112 E113 I119 R120A112-E116 WeakPolarHBondContact O-CG 3.11Å; A112-E116 PolarHBondContact O-N 3.18Å; E113-E116 PolarHBondContact O-N 2.75Å; E116-I119 PolarHBondContact O-N 3.06Å; E116-R120 PolarHBondContact O-N 3.45Å
117N96.8Very high95.1Very high7 Ų787.7 Ų87.74%0.03740%0.404CS..Hα-helixtrans-62.2-44.7175.9-174.358.5000112.3E113 M114 R115 I119 R120 E121 N128 A131E113-N117 WeakPolarHBondContact O-CB 3.37Å; E113-N117 PolarHBondContact O-N 2.91Å; M114-N117 PolarHBondContact O-N 2.89Å; R115-N117 VanDerWaalsContact C-N 3.32Å; N117-I119 PolarHBondContact O-N 3.28Å; N117-R120 CarbonylContact O-C 3.37Å; N117-R120 WeakPolarHBondContact O-CA 3.45Å; N117-R120 WeakPolarHBondContact O-CB 3.31Å; N117-R120 PolarHBondContact O-N 2.89Å; N117-E121 VanDerWaalsContact ND2-CD 3.31Å; N117-E121 PolarHBondContact ND2-OE1 3.33Å; N117-E121 PolarHBondContact O-N 3.02Å; N117-N128 VanDerWaalsContact OD1-CB 3.23Å; N117-N128 WeakPolarHBondContact OD1-CB 3.49Å; N117-N128 PolarHBondContact OD1-ND2 3.11Å; N117-A131 HydrophobicContact CB-CB 3.89Å; N117-A131 WeakPolarHBondContact ND2-CB 3.36Å
118L93.2Very high95.1Very high84 Ų8489.7 Ų89.744%0.4442%0.415SS..Hα-helixtrans-57.3-39.1178-72.1170.7000112.2M114 R115 R122M114-L118 WeakPolarHBondContact O-CG 3.25Å; M114-L118 PolarHBondContact O-N 2.97Å; R115-L118 PolarHBondContact O-N 3.39Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 PolarHBondContact O-N 3.35Å
119I93.6Very high95.1Very high106 Ų10687.7 Ų87.754%0.54440%0.402SS..Hα-helixtrans-66.1-44174.6-63.8167.1000110.3R115 E116 N117 R122 N123R115-I119 WeakPolarHBondContact O-CG1 3.45Å; R115-I119 PolarHBondContact O-N 3.01Å; E116-I119 PolarHBondContact O-N 3.06Å; N117-I119 PolarHBondContact O-N 3.28Å; I119-R122 PolarHBondContact O-N 2.85Å; I119-N123 VanDerWaalsContact O-CG 3.23Å; I119-N123 PolarHBondContact O-N 2.98Å; I119-N123 VanDerWaalsContact O-N 3.12Å; I119-N123 PolarHBondContact O-ND2 3.5Å
120R93.6Very high95.1Very high146 Ų14683.9 Ų83.955%0.55139%0.39SS*.Hα-helixtrans-60.4-52.6179.3-174-175.1-61.1-1471.6111.9E116 N117 R122 N123 T124E116-R120 PolarHBondContact O-N 3.45Å; N117-R120 CarbonylContact O-C 3.37Å; N117-R120 WeakPolarHBondContact O-CA 3.45Å; N117-R120 WeakPolarHBondContact O-CB 3.31Å; N117-R120 PolarHBondContact O-N 2.89Å; R120-R122 VanDerWaalsContact C-N 3.3Å; R120-R122 PolarHBondContact O-N 3.26Å; R120-N123 PolarHBondContact O-N 2.87Å; R120-N123 VanDerWaalsContact O-N 3.08Å; R120-T124 HydrophobicContact CG-CG2 4.32Å; R120-T124 WeakPolarHBondContact O-CG2 3.32Å; R120-T124 PolarHBondContact O-N 3.07Å; R120-T124 PolarHBondContact O-OG1 3.04Å; R120-T124 VanDerWaalsContact O-OG1 3.05Å
121E94.4Very high95.1Very high25 Ų2583.7 Ų83.712%0.11739%0.39CS..Hα-helixtrans-62.8-37.7-178.9-65.4-171.2166.900111.9N117 N123 R125 N126 N128 H133N117-E121 VanDerWaalsContact ND2-CD 3.31Å; N117-E121 PolarHBondContact ND2-OE1 3.33Å; N117-E121 PolarHBondContact O-N 3.02Å; E121-N123 VanDerWaalsContact C-N 3.28Å; E121-N123 PolarHBondContact O-N 3.28Å; E121-R125 WeakPolarHBondContact O-CA 3.43Å; E121-R125 PolarHBondContact O-N 2.78Å; E121-N126 WeakPolarHBondContact CG-O 3.45Å; E121-N128 HydrophobicContact CG-CB 4.08Å; E121-N128 WeakPolarHBondContact OE1-CB 3.36Å; E121-N128 PolarHBondContact OE1-N 3.43Å; E121-H133 IonicContact OE1-CD2 3.81Å; E121-H133 IonicContact OE1-CE1 3.71Å; E121-H133 IonicContact OE1-NE2 3.71Å; E121-H133 PolarHBondContact OE1-NE2 2.76Å; E121-H133 IonicContact OE2-CD2 3.73Å; E121-H133 IonicContact OE2-NE2 3.01Å
122R91Very high95.2Very high212 Ų21282.2 Ų82.280%0.838%0.383SS*.Hα-helixtrans-61.3-38.3174.1-174.2178.2-179.3-178.60.8112.1L118 I119 R120L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 PolarHBondContact O-N 3.35Å; I119-R122 PolarHBondContact O-N 2.85Å; R120-R122 VanDerWaalsContact C-N 3.3Å; R120-R122 PolarHBondContact O-N 3.26Å
123N90.8Very high95.3Very high124 Ų12480.3 Ų80.366%0.66337%0.367SS*.Hα-helixtrans-77.2-43.4-179.2-70.1-20.5000112.5I119 R120 E121I119-N123 VanDerWaalsContact O-CG 3.23Å; I119-N123 PolarHBondContact O-N 2.98Å; I119-N123 VanDerWaalsContact O-N 3.12Å; I119-N123 PolarHBondContact O-ND2 3.5Å; R120-N123 PolarHBondContact O-N 2.87Å; R120-N123 VanDerWaalsContact O-N 3.08Å; E121-N123 VanDerWaalsContact C-N 3.28Å; E121-N123 PolarHBondContact O-N 3.28Å
124T91.6Very high95.3Very high72 Ų7278.7 Ų78.744%0.44236%0.363SS..Hα-helixtrans-83.8-18.8-177.660.40000113.2R120 N126R120-T124 HydrophobicContact CG-CG2 4.32Å; R120-T124 WeakPolarHBondContact O-CG2 3.32Å; R120-T124 PolarHBondContact O-N 3.07Å; R120-T124 PolarHBondContact O-OG1 3.04Å; R120-T124 VanDerWaalsContact O-OG1 3.05Å; T124-N126 PolarHBondContact O-N 3.36Å; T124-N126 PolarHBondContact OG1-N 2.97Å
125R89.8Confident95.4Very high226 Ų22677.8 Ų77.885%0.85336%0.359SS*.  trans55.626.7-169.7-55.5-177.3-179.9-174.8-0.1113.5E121E121-R125 WeakPolarHBondContact O-CA 3.43Å; E121-R125 PolarHBondContact O-N 2.78Å
126N92.3Very high95.5Very high110 Ų11075.8 Ų75.859%0.58836%0.357SS*.SBendtrans-120.6138.5179.8-69-24.6000109.9E121 T124E121-N126 WeakPolarHBondContact CG-O 3.45Å; T124-N126 PolarHBondContact O-N 3.36Å; T124-N126 PolarHBondContact OG1-N 2.97Å
127F97Very high95.6Very high42 Ų4271.7 Ų71.718%0.18434%0.34CS..  trans-68.3131.4171.5-169.3-86.7000110.3F129 H133 T137 W141 V200F127-F129 AromaticContact CD1-CD1 3.79Å; F127-F129 HydrophobicContact CD1-CD1 3.79Å; F127-F129 HydrophobicContact CD1-CD2 4.17Å; F127-F129 AromaticContact CD1-CE1 3.69Å; F127-F129 HydrophobicContact CD1-CE1 3.69Å; F127-F129 HydrophobicContact CD1-CE2 4.08Å; F127-F129 HydrophobicContact CD1-CG 4.02Å; F127-F129 AromaticContact CD1-CZ 3.84Å; F127-F129 HydrophobicContact CD1-CZ 3.84Å; F127-F129 AromaticContact CE1-CD1 3.74Å; F127-F129 HydrophobicContact CE1-CD1 3.74Å; F127-F129 AromaticContact CE1-CE1 3.87Å; F127-F129 HydrophobicContact CE1-CE1 3.87Å; F127-F129 HydrophobicContact CE1-CG 4.23Å; F127-F129 HydrophobicContact CE1-CZ 4.49Å; F127-H133 AromaticContact CE1-CE1 3.53Å; F127-H133 AromaticContact CE1-NE2 3.97Å; F127-H133 AromaticContact CE2-CD2 3.86Å; F127-H133 AromaticContact CE2-CE1 3.96Å; F127-H133 AromaticContact CE2-NE2 3.78Å; F127-H133 AromaticContact CZ-CD2 3.9Å; F127-H133 AromaticContact CZ-CE1 3.26Å; F127-H133 WeakPolarHBondContact CZ-CE1 3.45Å; F127-H133 AromaticContact CZ-CG 3.8Å; F127-H133 AromaticContact CZ-ND1 3.41Å; F127-H133 WeakPolarHBondContact CZ-ND1 3.38Å; F127-H133 AromaticContact CZ-NE2 3.56Å; F127-T137 HydrophobicContact CD2-CG2 4.49Å; F127-T137 HydrophobicContact CE2-CG2 4Å; F127-W141 AromaticContact CD1-CD1 3.9Å; F127-W141 HydrophobicContact CD1-CG 4.35Å; F127-W141 HydrophobicContact CD2-CB 3.58Å; F127-W141 AromaticContact CD2-CD1 3.5Å; F127-W141 VanDerWaalsContact CD2-CD1 3.5Å; F127-W141 AromaticContact CD2-CG 3.61Å; F127-W141 HydrophobicContact CD2-CG 3.61Å; F127-W141 HydrophobicContact CE1-CG 4.46Å; F127-W141 HydrophobicContact CE2-CB 3.53Å; F127-W141 HydrophobicContact CE2-CD2 4.48Å; F127-W141 AromaticContact CE2-CG 3.7Å; F127-W141 HydrophobicContact CE2-CG 3.7Å; F127-W141 HydrophobicContact CG-CB 4.39Å; F127-W141 AromaticContact CG-CD1 3.41Å; F127-W141 VanDerWaalsContact CG-CD1 3.41Å; F127-W141 AromaticContact CG-CG 3.95Å; F127-W141 HydrophobicContact CG-CG 3.95Å; F127-W141 HydrophobicContact CZ-CB 4.35Å; F127-W141 HydrophobicContact CZ-CG 4.15Å; F127-V200 HydrophobicContact CD1-CG1 4.42Å; F127-V200 HydrophobicContact CE1-CG1 3.42Å; F127-V200 VanDerWaalsContact CE1-CG1 3.42Å; F127-V200 HydrophobicContact CZ-CG1 3.58Å
128N98Very high95.7Very high44 Ų4471.5 Ų71.524%0.23534%0.339CS..  trans-102.6102.6178.9178.317.2000111.3N117 E121 A130 A131 H133N117-N128 VanDerWaalsContact OD1-CB 3.23Å; N117-N128 WeakPolarHBondContact OD1-CB 3.49Å; N117-N128 PolarHBondContact OD1-ND2 3.11Å; E121-N128 HydrophobicContact CG-CB 4.08Å; E121-N128 WeakPolarHBondContact OE1-CB 3.36Å; E121-N128 PolarHBondContact OE1-N 3.43Å; N128-A130 PolarHBondContact O-N 3.4Å; N128-A130 WeakPolarHBondContact OD1-CB 3.49Å; N128-A130 PolarHBondContact OD1-N 3.13Å; N128-A131 PolarHBondContact O-N 2.91Å; N128-H133 PolarHBondContact O-CE1 3.3Å; N128-H133 PolarHBondContact O-NE2 3.2Å
129F98.3Very high96Very high44 Ų4468.1 Ų68.119%0.19332%0.32CS..THydrogen-bonded Turntrans-67.2-4.8178.1-59.5-84.5000115.4F127 A131 W141 V200 W201 N204 I406F127-F129 AromaticContact CD1-CD1 3.79Å; F127-F129 HydrophobicContact CD1-CD1 3.79Å; F127-F129 HydrophobicContact CD1-CD2 4.17Å; F127-F129 AromaticContact CD1-CE1 3.69Å; F127-F129 HydrophobicContact CD1-CE1 3.69Å; F127-F129 HydrophobicContact CD1-CE2 4.08Å; F127-F129 HydrophobicContact CD1-CG 4.02Å; F127-F129 AromaticContact CD1-CZ 3.84Å; F127-F129 HydrophobicContact CD1-CZ 3.84Å; F127-F129 AromaticContact CE1-CD1 3.74Å; F127-F129 HydrophobicContact CE1-CD1 3.74Å; F127-F129 AromaticContact CE1-CE1 3.87Å; F127-F129 HydrophobicContact CE1-CE1 3.87Å; F127-F129 HydrophobicContact CE1-CG 4.23Å; F127-F129 HydrophobicContact CE1-CZ 4.49Å; F129-A131 VanDerWaalsContact C-N 3.35Å; F129-W141 AromaticContact CE1-CE2 3.83Å; F129-W141 AromaticContact CE1-CZ2 3.75Å; F129-W141 HydrophobicContact CE1-CZ2 3.75Å; F129-W141 AromaticContact CE1-NE1 3.81Å; F129-W141 HydrophobicContact CZ-CZ2 4.12Å; F129-W141 AromaticContact CZ-NE1 3.6Å; F129-V200 HydrophobicContact CD1-CG1 3.82Å; F129-V200 HydrophobicContact CE1-CG1 3.77Å; F129-W201 HydrophobicContact CD1-CB 4.39Å; F129-N204 HydrophobicContact CD1-CB 4.44Å; F129-N204 HydrophobicContact CE1-CB 3.55Å; F129-N204 HydrophobicContact CZ-CB 3.59Å; F129-N204 WeakPolarHBondContact CZ-OD1 3.43Å; F129-I406 WeakPolarHBondContact O-CG2 3.41Å
130A97.7Very high96.2Very high31 Ų3166.5 Ų66.526%0.25632%0.319SS..THydrogen-bonded Turntrans-96.425.6175.900000113N128 I407N128-A130 PolarHBondContact O-N 3.4Å; N128-A130 WeakPolarHBondContact OD1-CB 3.49Å; N128-A130 PolarHBondContact OD1-N 3.13Å; A130-I407 HydrophobicContact CB-CD1 3.68Å; A130-I407 HydrophobicContact CB-CG1 4.11Å
131A98.3Very high96.4Very high6 Ų660.1 Ų60.15%0.0530%0.295CS..SBendtrans-140.5159.4-177.700000111.4N117 N128 F129 H133 I406N117-A131 HydrophobicContact CB-CB 3.89Å; N117-A131 WeakPolarHBondContact ND2-CB 3.36Å; N128-A131 PolarHBondContact O-N 2.91Å; F129-A131 VanDerWaalsContact C-N 3.35Å; A131-H133 PolarHBondContact O-CE1 2.87Å; A131-H133 PolarHBondContact O-ND1 3.32Å; A131-H133 VanDerWaalsContact O-ND1 3.14Å; A131-I406 VanDerWaalsContact C-CD1 3.45Å
132Y98.7Very high96.6Very high6 Ų659 Ų592%0.02429%0.289CS..  trans-85.3145167.1-62.9-60000110.7E110 W193 A197 L401 I406E110-Y132 HydrophobicContact CG-CD2 4.25Å; Y132-W193 HydrophobicContact CD1-CB 3.76Å; Y132-W193 HydrophobicContact CD1-CE3 4.24Å; Y132-W193 AromaticContact CD2-CE3 3.92Å; Y132-W193 HydrophobicContact CD2-CE3 3.92Å; Y132-W193 HydrophobicContact CE1-CB 3.63Å; Y132-W193 HydrophobicContact CG-CB 4.42Å; Y132-W193 AromaticContact CG-CE3 3.76Å; Y132-W193 HydrophobicContact CG-CE3 3.76Å; Y132-W193 HydrophobicContact CG-CZ3 4.48Å; Y132-A197 HydrophobicContact CD1-CB 3.96Å; Y132-A197 HydrophobicContact CE1-CB 3.98Å; Y132-L401 VanDerWaalsContact CE2-O 3.27Å; Y132-L401 WeakPolarHBondContact CE2-O 3.29Å; Y132-L401 PolarHBondContact OH-O 3.07Å; Y132-I406 HydrophobicContact CD1-CD1 3.77Å; Y132-I406 HydrophobicContact CD2-CD1 4.25Å; Y132-I406 HydrophobicContact CE1-CD1 3.61Å; Y132-I406 HydrophobicContact CE1-CG1 3.89Å; Y132-I406 HydrophobicContact CE2-CD1 4.14Å; Y132-I406 HydrophobicContact CG-CD1 4.08Å
133H98.7Very high97Very high5 Ų552.8 Ų52.82%0.02327%0.272CS..  trans-130.3144.1-173.4-60.891.2000112.2E121 F127 N128 A131 T137 I138 Y236 H240E121-H133 IonicContact OE1-CD2 3.81Å; E121-H133 IonicContact OE1-CE1 3.71Å; E121-H133 IonicContact OE1-NE2 3.71Å; E121-H133 PolarHBondContact OE1-NE2 2.76Å; E121-H133 IonicContact OE2-CD2 3.73Å; E121-H133 IonicContact OE2-NE2 3.01Å; F127-H133 AromaticContact CE1-CE1 3.53Å; F127-H133 AromaticContact CE1-NE2 3.97Å; F127-H133 AromaticContact CE2-CD2 3.86Å; F127-H133 AromaticContact CE2-CE1 3.96Å; F127-H133 AromaticContact CE2-NE2 3.78Å; F127-H133 AromaticContact CZ-CD2 3.9Å; F127-H133 AromaticContact CZ-CE1 3.26Å; F127-H133 WeakPolarHBondContact CZ-CE1 3.45Å; F127-H133 AromaticContact CZ-CG 3.8Å; F127-H133 AromaticContact CZ-ND1 3.41Å; F127-H133 WeakPolarHBondContact CZ-ND1 3.38Å; F127-H133 AromaticContact CZ-NE2 3.56Å; N128-H133 PolarHBondContact O-CE1 3.3Å; N128-H133 PolarHBondContact O-NE2 3.2Å; A131-H133 PolarHBondContact O-CE1 2.87Å; A131-H133 PolarHBondContact O-ND1 3.32Å; A131-H133 VanDerWaalsContact O-ND1 3.14Å; H133-T137 HydrophobicContact CB-CG2 4.07Å; H133-I138 HydrophobicContact CB-CG1 3.91Å; H133-Y236 WeakPolarHBondContact O-CE1 3.47Å; H133-Y236 PolarHBondContact O-OH 3.24Å; H133-H240 PolarHBondContact O-CE1 2.8Å
134P98.3Very high97.4Very high42 Ų4249.7 Ų49.727%0.27326%0.258SS..  trans-60.2156.1166-21.933.8000112E136 T137 I138P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.36Å; P134-T137 WeakPolarHBondContact O-CB 3.33Å; P134-T137 PolarHBondContact O-N 3.02Å; P134-I138 PolarHBondContact O-N 3.46Å
135L98.8Very high97.7Very high5 Ų546.3 Ų46.33%0.02624%0.237CC..Hα-helixtrans-49.3-47.9-179.5-17665.2000113.3T137 I138 Y139 V230 P233 Y236 V237L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 3.5Å; L135-I138 WeakPolarHBondContact O-CB 3.3Å; L135-I138 PolarHBondContact O-N 2.91Å; L135-I138 VanDerWaalsContact O-N 3.13Å; L135-Y139 HydrophobicContact CD1-CD1 3.99Å; L135-Y139 HydrophobicContact CD1-CE1 3.45Å; L135-Y139 VanDerWaalsContact CD1-CE1 3.45Å; L135-Y139 HydrophobicContact CD1-CE2 4.13Å; L135-Y139 HydrophobicContact CD2-CE2 4.16Å; L135-Y139 HydrophobicContact CG-CD1 4.41Å; L135-Y139 HydrophobicContact CG-CD2 4.29Å; L135-Y139 HydrophobicContact CG-CE1 4.17Å; L135-Y139 HydrophobicContact CG-CE2 4.06Å; L135-Y139 HydrophobicContact CG-CG 4.49Å; L135-Y139 PolarHBondContact O-N 2.84Å; L135-V230 HydrophobicContact CD1-CB 4.08Å; L135-V230 HydrophobicContact CD1-CG1 3.93Å; L135-V230 HydrophobicContact CD1-CG2 3.93Å; L135-P233 HydrophobicContact CD1-CB 4.23Å; L135-P233 HydrophobicContact CD2-CB 3.88Å; L135-Y236 HydrophobicContact CB-CD1 4.22Å; L135-Y236 HydrophobicContact CD1-CD1 4.31Å; L135-V237 HydrophobicContact CB-CG2 3.83Å; L135-V237 HydrophobicContact CD2-CG2 3.61Å; L135-V237 HydrophobicContact CG-CG2 4.37Å
136E98.3Very high98.1Very high130 Ų13037.1 Ų37.161%0.60721%0.206SC*.Hα-helixtrans-62.8-34-177.7-61.2-55.714500112.5P134 Y139 S140P134-E136 VanDerWaalsContact C-N 3.3Å; P134-E136 PolarHBondContact O-N 3.36Å; E136-Y139 PolarHBondContact O-N 3.43Å; E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.39Å; E136-S140 PolarHBondContact O-N 3Å
137T98.3Very high98.4Very high39 Ų3935.6 Ų35.624%0.23921%0.208CC..Hα-helixtrans-69.7-39.8176.3-570000110.8F127 H133 P134 L135 W141F127-T137 HydrophobicContact CD2-CG2 4.49Å; F127-T137 HydrophobicContact CE2-CG2 4Å; H133-T137 HydrophobicContact CB-CG2 4.07Å; P134-T137 WeakPolarHBondContact O-CB 3.33Å; P134-T137 PolarHBondContact O-N 3.02Å; L135-T137 VanDerWaalsContact C-N 3.26Å; L135-T137 PolarHBondContact O-N 3.5Å; T137-W141 VanDerWaalsContact O-CB 3.31Å; T137-W141 WeakPolarHBondContact O-CB 3.47Å; T137-W141 PolarHBondContact O-N 3.46Å
138I98.9Very high98.5Very high2 Ų239.4 Ų39.41%0.0123%0.227CC..Hα-helixtrans-62.5-47.2172.8-62.2176.8000110.2H133 P134 L135 S140 W141 M142 V200 I229 V230 Y236H133-I138 HydrophobicContact CB-CG1 3.91Å; P134-I138 PolarHBondContact O-N 3.46Å; L135-I138 WeakPolarHBondContact O-CB 3.3Å; L135-I138 PolarHBondContact O-N 2.91Å; L135-I138 VanDerWaalsContact O-N 3.13Å; I138-S140 PolarHBondContact O-N 2.89Å; I138-W141 PolarHBondContact O-N 2.91Å; I138-M142 HydrophobicContact CG2-SD 4.14Å; I138-M142 VanDerWaalsContact O-CG 3.31Å; I138-M142 WeakPolarHBondContact O-CG 3.24Å; I138-M142 PolarHBondContact O-N 2.73Å; I138-V200 HydrophobicContact CD1-CG2 4.37Å; I138-V200 HydrophobicContact CG1-CG2 4.18Å; I138-V200 HydrophobicContact CG2-CG2 3.85Å; I138-I229 HydrophobicContact CG2-CG2 4.04Å; I138-V230 HydrophobicContact CD1-CG2 4.18Å; I138-V230 HydrophobicContact CG2-CG2 4.35Å; I138-Y236 HydrophobicContact CD1-CE1 3.9Å
139Y98.8Very high98.5Very high13 Ų1339.5 Ų39.55%0.05123%0.226CC..Hα-helixtrans-65.4-41.1-178.3-77.18.4000112.7L135 E136 W141 M142 D143 P166 Y168L135-Y139 HydrophobicContact CD1-CD1 3.99Å; L135-Y139 HydrophobicContact CD1-CE1 3.45Å; L135-Y139 VanDerWaalsContact CD1-CE1 3.45Å; L135-Y139 HydrophobicContact CD1-CE2 4.13Å; L135-Y139 HydrophobicContact CD2-CE2 4.16Å; L135-Y139 HydrophobicContact CG-CD1 4.41Å; L135-Y139 HydrophobicContact CG-CD2 4.29Å; L135-Y139 HydrophobicContact CG-CE1 4.17Å; L135-Y139 HydrophobicContact CG-CE2 4.06Å; L135-Y139 HydrophobicContact CG-CG 4.49Å; L135-Y139 PolarHBondContact O-N 2.84Å; E136-Y139 PolarHBondContact O-N 3.43Å; Y139-W141 VanDerWaalsContact C-N 3.33Å; Y139-M142 HydrophobicContact CD1-SD 3.9Å; Y139-M142 HydrophobicContact CE1-SD 4.37Å; Y139-M142 WeakPolarHBondContact O-CB 3.45Å; Y139-M142 PolarHBondContact O-N 3Å; Y139-D143 PolarHBondContact O-N 3.46Å; Y139-P166 HydrophobicContact CE2-CG 4.02Å; Y139-P166 WeakPolarHBondContact CE2-O 3.5Å; Y139-P166 PolarHBondContact OH-O 3.19Å; Y139-Y168 HydrophobicContact CD1-CD2 4.07Å; Y139-Y168 AromaticContact CD2-CD2 3.68Å; Y139-Y168 HydrophobicContact CD2-CD2 3.68Å; Y139-Y168 AromaticContact CD2-CE2 3.61Å; Y139-Y168 HydrophobicContact CD2-CE2 3.61Å; Y139-Y168 HydrophobicContact CE1-CD2 4.02Å; Y139-Y168 AromaticContact CE2-CD2 3.6Å; Y139-Y168 HydrophobicContact CE2-CD2 3.6Å; Y139-Y168 AromaticContact CE2-CE2 3.72Å; Y139-Y168 HydrophobicContact CE2-CE2 3.72Å; Y139-Y168 AromaticContact CG-CD2 3.9Å; Y139-Y168 HydrophobicContact CG-CD2 3.9Å; Y139-Y168 HydrophobicContact CG-CE2 4.14Å; Y139-Y168 AromaticContact CZ-CD2 3.76Å
140S98.5Very high98.5Very high72 Ų7241.4 Ų41.450%0.50324%0.242SC..Hα-helixtrans-65.7-36.4174.1-179.20000112.3E136 I138 D143 T144E136-S140 VanDerWaalsContact O-CB 3.29Å; E136-S140 WeakPolarHBondContact O-CB 3.39Å; E136-S140 PolarHBondContact O-N 3Å; I138-S140 PolarHBondContact O-N 2.89Å; S140-D143 WeakPolarHBondContact O-CB 3.28Å; S140-D143 PolarHBondContact O-N 2.98Å; S140-T144 PolarHBondContact O-N 2.77Å; S140-T144 VanDerWaalsContact O-N 3.13Å; S140-T144 PolarHBondContact O-OG1 2.92Å; S140-T144 VanDerWaalsContact O-OG1 3.11Å
141W98.6Very high98.5Very high13 Ų1347.4 Ų47.45%0.04927%0.27CS..Hα-helixtrans-66.4-39.2173.5170.179.1000112.1F127 F129 T137 I138 Y139 D143 T144 L145 V200 A203 N204 I229F127-W141 AromaticContact CD1-CD1 3.9Å; F127-W141 HydrophobicContact CD1-CG 4.35Å; F127-W141 HydrophobicContact CD2-CB 3.58Å; F127-W141 AromaticContact CD2-CD1 3.5Å; F127-W141 VanDerWaalsContact CD2-CD1 3.5Å; F127-W141 AromaticContact CD2-CG 3.61Å; F127-W141 HydrophobicContact CD2-CG 3.61Å; F127-W141 HydrophobicContact CE1-CG 4.46Å; F127-W141 HydrophobicContact CE2-CB 3.53Å; F127-W141 HydrophobicContact CE2-CD2 4.48Å; F127-W141 AromaticContact CE2-CG 3.7Å; F127-W141 HydrophobicContact CE2-CG 3.7Å; F127-W141 HydrophobicContact CG-CB 4.39Å; F127-W141 AromaticContact CG-CD1 3.41Å; F127-W141 VanDerWaalsContact CG-CD1 3.41Å; F127-W141 AromaticContact CG-CG 3.95Å; F127-W141 HydrophobicContact CG-CG 3.95Å; F127-W141 HydrophobicContact CZ-CB 4.35Å; F127-W141 HydrophobicContact CZ-CG 4.15Å; F129-W141 AromaticContact CE1-CE2 3.83Å; F129-W141 AromaticContact CE1-CZ2 3.75Å; F129-W141 HydrophobicContact CE1-CZ2 3.75Å; F129-W141 AromaticContact CE1-NE1 3.81Å; F129-W141 HydrophobicContact CZ-CZ2 4.12Å; F129-W141 AromaticContact CZ-NE1 3.6Å; T137-W141 VanDerWaalsContact O-CB 3.31Å; T137-W141 WeakPolarHBondContact O-CB 3.47Å; T137-W141 PolarHBondContact O-N 3.46Å; I138-W141 PolarHBondContact O-N 2.91Å; Y139-W141 VanDerWaalsContact C-N 3.33Å; W141-D143 VanDerWaalsContact C-N 3.28Å; W141-D143 PolarHBondContact O-N 3.19Å; W141-T144 CarbonylContact O-C 3.54Å; W141-T144 WeakPolarHBondContact O-CA 3.22Å; W141-T144 VanDerWaalsContact O-CB 3.32Å; W141-T144 WeakPolarHBondContact O-CB 3.43Å; W141-T144 PolarHBondContact O-N 3.46Å; W141-L145 HydrophobicContact CH2-CD2 3.73Å; W141-L145 HydrophobicContact CZ2-CB 4.34Å; W141-L145 HydrophobicContact CZ2-CD1 4.22Å; W141-L145 HydrophobicContact CZ2-CD2 3.96Å; W141-L145 HydrophobicContact CZ2-CG 4.41Å; W141-L145 HydrophobicContact CZ3-CD2 4.44Å; W141-L145 PolarHBondContact O-N 2.71Å; W141-V200 HydrophobicContact CD2-CG1 3.88Å; W141-V200 HydrophobicContact CE3-CB 4.45Å; W141-V200 HydrophobicContact CE3-CG1 3.7Å; W141-V200 HydrophobicContact CE3-CG2 4.28Å; W141-V200 HydrophobicContact CH2-CB 4.45Å; W141-V200 HydrophobicContact CH2-CG1 3.87Å; W141-V200 WeakPolarHBondContact CH2-O 3.46Å; W141-V200 HydrophobicContact CZ2-CG1 4.07Å; W141-V200 HydrophobicContact CZ3-CB 4.14Å; W141-V200 HydrophobicContact CZ3-CG1 3.69Å; W141-V200 HydrophobicContact CZ3-CG2 4.18Å; W141-A203 HydrophobicContact CH2-CB 3.73Å; W141-A203 HydrophobicContact CZ3-CB 4.3Å; W141-N204 HydrophobicContact CH2-CB 4.5Å; W141-N204 HydrophobicContact CZ2-CB 3.87Å; W141-I229 HydrophobicContact CZ3-CD1 3.8Å
142M98.9Very high98.5Very high1 Ų147.7 Ų47.71%0.00527%0.271CS..Hα-helixtrans-58.7-40174-69.6167.76200111.9I138 Y139 T144 L145 V146 K155 Y168 L170 I229I138-M142 HydrophobicContact CG2-SD 4.14Å; I138-M142 VanDerWaalsContact O-CG 3.31Å; I138-M142 WeakPolarHBondContact O-CG 3.24Å; I138-M142 PolarHBondContact O-N 2.73Å; Y139-M142 HydrophobicContact CD1-SD 3.9Å; Y139-M142 HydrophobicContact CE1-SD 4.37Å; Y139-M142 WeakPolarHBondContact O-CB 3.45Å; Y139-M142 PolarHBondContact O-N 3Å; M142-T144 VanDerWaalsContact C-N 3.32Å; M142-L145 PolarHBondContact O-N 2.74Å; M142-V146 WeakPolarHBondContact O-CG2 3.14Å; M142-V146 PolarHBondContact O-N 3.41Å; M142-K155 HydrophobicContact CB-CD 4.18Å; M142-K155 HydrophobicContact CE-CD 3.91Å; M142-K155 HydrophobicContact CE-CG 4.16Å; M142-Y168 HydrophobicContact CE-CG 4.39Å; M142-L170 HydrophobicContact CB-CD2 4.19Å; M142-L170 HydrophobicContact CE-CD2 3.87Å; M142-L170 HydrophobicContact CE-CG 3.87Å; M142-L170 HydrophobicContact CG-CD1 4.28Å; M142-L170 HydrophobicContact CG-CD2 4.36Å; M142-L170 HydrophobicContact CG-CG 4.48Å; M142-I229 HydrophobicContact CG-CD1 4.28Å; M142-I229 HydrophobicContact SD-CD1 4.33Å
143D98.8Very high98.6Very high81 Ų8147.4 Ų47.443%0.43327%0.27SS..Hα-helixtrans-62.1-41173.1-73.9-47.1000112.1Y139 S140 W141 V146 A147 K155Y139-D143 PolarHBondContact O-N 3.46Å; S140-D143 WeakPolarHBondContact O-CB 3.28Å; S140-D143 PolarHBondContact O-N 2.98Å; W141-D143 VanDerWaalsContact C-N 3.28Å; W141-D143 PolarHBondContact O-N 3.19Å; D143-V146 PolarHBondContact O-N 2.75Å; D143-A147 WeakPolarHBondContact O-CB 3.49Å; D143-A147 PolarHBondContact O-N 2.86Å; D143-K155 WeakPolarHBondContact OD1-CE 3.43Å; D143-K155 IonicContact OD1-NZ 3.76Å; D143-K155 PolarHBondContact OD1-NZ 3.34Å; D143-K155 IonicContact OD2-NZ 3.76Å; D143-K155 PolarHBondContact OD2-NZ 2.99Å
144T98.4Very high98.6Very high60 Ų6050 Ų5037%0.36829%0.286SS..Hα-helixtrans-62.9-43.8176.4-57.70000111.2S140 W141 M142 V146 A147 Q148S140-T144 PolarHBondContact O-N 2.77Å; S140-T144 VanDerWaalsContact O-N 3.13Å; S140-T144 PolarHBondContact O-OG1 2.92Å; S140-T144 VanDerWaalsContact O-OG1 3.11Å; W141-T144 CarbonylContact O-C 3.54Å; W141-T144 WeakPolarHBondContact O-CA 3.22Å; W141-T144 VanDerWaalsContact O-CB 3.32Å; W141-T144 WeakPolarHBondContact O-CB 3.43Å; W141-T144 PolarHBondContact O-N 3.46Å; M142-T144 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 2.66Å; T144-A147 PolarHBondContact O-N 2.88Å; T144-Q148 HydrophobicContact CG2-CG 4.44Å; T144-Q148 WeakPolarHBondContact O-CB 3.35Å; T144-Q148 VanDerWaalsContact O-CG 3.29Å; T144-Q148 WeakPolarHBondContact O-CG 3.22Å; T144-Q148 PolarHBondContact O-N 2.99Å
145L98.7Very high98.6Very high0 Ų050.5 Ų50.50%028%0.284CS..Hα-helixtrans-61.7-44.9178.3-173.670.2000111.6W141 M142 Q148 H149 V153 L170 F172 A203 A207W141-L145 HydrophobicContact CH2-CD2 3.73Å; W141-L145 HydrophobicContact CZ2-CB 4.34Å; W141-L145 HydrophobicContact CZ2-CD1 4.22Å; W141-L145 HydrophobicContact CZ2-CD2 3.96Å; W141-L145 HydrophobicContact CZ2-CG 4.41Å; W141-L145 HydrophobicContact CZ3-CD2 4.44Å; W141-L145 PolarHBondContact O-N 2.71Å; M142-L145 PolarHBondContact O-N 2.74Å; L145-Q148 PolarHBondContact O-N 3.31Å; L145-H149 PolarHBondContact O-CD2 3.17Å; L145-H149 PolarHBondContact O-N 3.45Å; L145-V153 HydrophobicContact CD2-CG1 4.4Å; L145-L170 HydrophobicContact CD2-CD1 3.8Å; L145-F172 HydrophobicContact CD2-CE1 4.49Å; L145-F172 HydrophobicContact CD2-CZ 4.44Å; L145-A203 HydrophobicContact CD2-CB 4.19Å; L145-A207 HydrophobicContact CD1-CB 3.72Å; L145-A207 HydrophobicContact CG-CB 4.38Å
146V98.8Very high98.6Very high34 Ų3453.1 Ų53.121%0.20630%0.298CS..Hα-helixtrans-61.5-44.6175.6170.40000111.2M142 D143 T144 Q148 H149 P150 V153 K155 L170M142-V146 WeakPolarHBondContact O-CG2 3.14Å; M142-V146 PolarHBondContact O-N 3.41Å; D143-V146 PolarHBondContact O-N 2.75Å; T144-V146 PolarHBondContact O-N 2.66Å; V146-Q148 VanDerWaalsContact C-N 3.28Å; V146-Q148 PolarHBondContact O-N 3.41Å; V146-H149 CarbonylContact O-C 3.57Å; V146-H149 PolarHBondContact O-N 2.89Å; V146-P150 WeakPolarHBondContact O-CA 3.44Å; V146-P150 VanDerWaalsContact O-N 3.17Å; V146-V153 HydrophobicContact CG2-CB 4.46Å; V146-V153 HydrophobicContact CG2-CG1 3.97Å; V146-K155 HydrophobicContact CG2-CB 3.92Å; V146-L170 HydrophobicContact CG2-CD2 4.19Å
147A98.6Very high98.6Very high77 Ų7751.2 Ų51.264%0.63629%0.289SS*.Hα-helixtrans-64.2-32.917900000112.8D143 T144D143-A147 WeakPolarHBondContact O-CB 3.49Å; D143-A147 PolarHBondContact O-N 2.86Å; T144-A147 PolarHBondContact O-N 2.88Å
148Q98.5Very high98.6Very high122 Ų12250.8 Ų50.857%0.5729%0.285SS*.Hα-helixtrans-78.2-28.8177.6-73174.2-6.600113T144 L145 V146 P150T144-Q148 HydrophobicContact CG2-CG 4.44Å; T144-Q148 WeakPolarHBondContact O-CB 3.35Å; T144-Q148 VanDerWaalsContact O-CG 3.29Å; T144-Q148 WeakPolarHBondContact O-CG 3.22Å; T144-Q148 PolarHBondContact O-N 2.99Å; L145-Q148 PolarHBondContact O-N 3.31Å; V146-Q148 VanDerWaalsContact C-N 3.28Å; V146-Q148 PolarHBondContact O-N 3.41Å; Q148-P150 VanDerWaalsContact C-CD 3.43Å
149H98.6Very high98.6Very high47 Ų4751.6 Ų51.622%0.21829%0.293CS..SBendtrans-128.354.4-176.4-59.2-91.8000113.1L145 V146 N151 L152 V153 A207L145-H149 PolarHBondContact O-CD2 3.17Å; L145-H149 PolarHBondContact O-N 3.45Å; V146-H149 CarbonylContact O-C 3.57Å; V146-H149 PolarHBondContact O-N 2.89Å; H149-N151 PolarHBondContact O-N 3.47Å; H149-N151 VanDerWaalsContact O-N 3.11Å; H149-L152 PolarHBondContact O-N 3.41Å; H149-V153 HydrophobicContact CB-CB 4.4Å; H149-V153 HydrophobicContact CB-CG2 3.77Å; H149-V153 PolarHBondContact O-N 3.45Å; H149-A207 PolarHBondContact CE1-O 3.41Å; H149-A207 VanDerWaalsContact CE1-O 3.28Å; H149-A207 PolarHBondContact ND1-O 2.68Å
150P98.1Very high98.6Very high83 Ų8356.5 Ų56.554%0.53931%0.312SS..THydrogen-bonded Turntrans-67.3-19.8-167.427.7-37.2000114.7V146 Q148V146-P150 WeakPolarHBondContact O-CA 3.44Å; V146-P150 VanDerWaalsContact O-N 3.17Å; Q148-P150 VanDerWaalsContact C-CD 3.43Å
151N97.4Very high98.6Very high157 Ų15753.3 Ų53.384%0.8429%0.29SS*.THydrogen-bonded Turntrans-88.9-4.8178.1-63.7-32.6000113.4H149H149-N151 PolarHBondContact O-N 3.47Å; H149-N151 VanDerWaalsContact O-N 3.11Å
152L98.8Very high98.6Very high12 Ų1258.5 Ų58.56%0.06331%0.31CS..THydrogen-bonded Turntrans-124.9-41.4-175.5179.467.3000111.9H149 F172 S173 T174 Y210 L220H149-L152 PolarHBondContact O-N 3.41Å; L152-F172 CarbonylContact O-C 3.56Å; L152-F172 VanDerWaalsContact O-CA 3.32Å; L152-F172 WeakPolarHBondContact O-CA 3.43Å; L152-S173 PolarHBondContact O-N 3.01Å; L152-T174 HydrophobicContact CD1-CG2 4.07Å; L152-Y210 HydrophobicContact CD1-CD1 3.99Å; L152-Y210 HydrophobicContact CD1-CD2 4.41Å; L152-Y210 HydrophobicContact CD1-CE1 4.19Å; L152-Y210 HydrophobicContact CD1-CG 4.1Å; L152-Y210 HydrophobicContact CD2-CD1 3.7Å; L152-Y210 HydrophobicContact CD2-CG 3.78Å; L152-Y210 HydrophobicContact CG-CD1 4.38Å; L152-L220 HydrophobicContact CD1-CD1 4.24Å
153V98.8Very high98.6Very high0 Ų062.4 Ų62.40%033%0.328CS..EExtended strand (participates in β ladder)trans-112.9129.8-170.4-166.70000110.2L145 V146 H149 L170 K171 F172 A207L145-V153 HydrophobicContact CD2-CG1 4.4Å; V146-V153 HydrophobicContact CG2-CB 4.46Å; V146-V153 HydrophobicContact CG2-CG1 3.97Å; H149-V153 HydrophobicContact CB-CB 4.4Å; H149-V153 HydrophobicContact CB-CG2 3.77Å; H149-V153 PolarHBondContact O-N 3.45Å; V153-L170 HydrophobicContact CG1-CB 4.41Å; V153-L170 HydrophobicContact CG1-CD2 4.04Å; V153-K171 WeakPolarHBondContact CA-O 3.39Å; V153-F172 HydrophobicContact CG1-CD1 4.35Å; V153-F172 HydrophobicContact CG1-CE1 4.05Å; V153-F172 HydrophobicContact CG1-CZ 4.36Å; V153-F172 HydrophobicContact CG2-CD1 3.63Å; V153-F172 HydrophobicContact CG2-CE1 3.64Å; V153-A207 HydrophobicContact CG2-CB 4.14Å
154T98.8Very high98.6Very high61 Ų6163.3 Ų63.337%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-127146.7170.553.80000110.1L170 K171T154-L170 CarbonylContact O-C 3.6Å; T154-L170 WeakPolarHBondContact O-CA 3.4Å; T154-K171 PolarHBondContact N-O 3.14Å; T154-K171 PolarHBondContact O-N 3.38Å; T154-K171 WeakPolarHBondContact OG1-CB 3.07Å
155K98.8Very high98.6Very high52 Ų5263 Ų6323%0.22633%0.325CS..EExtended strand (participates in β ladder)trans-103.5122.4175.3-175.4174.368.9166.40109.7M142 D143 V146 Y168 V169 L170M142-K155 HydrophobicContact CB-CD 4.18Å; M142-K155 HydrophobicContact CE-CD 3.91Å; M142-K155 HydrophobicContact CE-CG 4.16Å; D143-K155 WeakPolarHBondContact OD1-CE 3.43Å; D143-K155 IonicContact OD1-NZ 3.76Å; D143-K155 PolarHBondContact OD1-NZ 3.34Å; D143-K155 IonicContact OD2-NZ 3.76Å; D143-K155 PolarHBondContact OD2-NZ 2.99Å; V146-K155 HydrophobicContact CG2-CB 3.92Å; K155-Y168 HydrophobicContact CD-CD1 3.96Å; K155-Y168 HydrophobicContact CD-CD2 4.13Å; K155-Y168 HydrophobicContact CD-CE1 4.47Å; K155-Y168 HydrophobicContact CD-CG 3.79Å; K155-Y168 HydrophobicContact CG-CD1 3.91Å; K155-Y168 HydrophobicContact CG-CG 4.02Å; K155-V169 WeakPolarHBondContact CA-O 3.48Å; K155-L170 HydrophobicContact CB-CD2 4.23Å; K155-L170 HydrophobicContact CG-CD2 4.47Å
156L98.4Very high98.6Very high59 Ų5964.3 Ų64.331%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-111.5129.9-178.2-54.9175.8000109.6Y168 V169 K171 Y226L156-Y168 CarbonylContact O-C 3.49Å; L156-Y168 WeakPolarHBondContact O-CA 3.26Å; L156-V169 HydrophobicContact CB-CB 4.49Å; L156-V169 PolarHBondContact N-O 3.41Å; L156-V169 PolarHBondContact O-N 3.18Å; L156-K171 HydrophobicContact CD1-CB 3.97Å; L156-K171 HydrophobicContact CD1-CD 4.37Å; L156-K171 HydrophobicContact CG-CB 4.47Å; L156-Y226 HydrophobicContact CD1-CD1 4.36Å; L156-Y226 HydrophobicContact CD1-CE1 3.82Å
157E98.7Very high98.6Very high91 Ų9162.7 Ų62.743%0.42532%0.324SS..EExtended strand (participates in β ladder)trans-85.3113.2166.1-171.3170.314900108.3G159 R160 P166 M167 Y168E157-G159 VanDerWaalsContact C-N 3.35Å; E157-R160 IonicContact OE1-CZ 3.79Å; E157-R160 IonicContact OE1-NE 2.71Å; E157-R160 PolarHBondContact OE1-NE 3.09Å; E157-R160 IonicContact OE1-NH2 3.25Å; E157-P166 HydrophobicContact CG-CB 4.04Å; E157-M167 WeakPolarHBondContact CA-O 3.32Å; E157-Y168 HydrophobicContact CB-CD1 4.07Å; E157-Y168 HydrophobicContact CB-CE1 3.89Å; E157-Y168 HydrophobicContact CG-CD1 4.48Å; E157-Y168 HydrophobicContact CG-CE1 4.15Å
158I98.7Very high98.7Very high29 Ų2961.2 Ų61.215%0.14930%0.302CS..EExtended strand (participates in β ladder)trans-91.9-2.4-177.665163.3000113.1M167 V169 W183 L228 N298 I299 L302I158-M167 HydrophobicContact CD1-CB 4.45Å; I158-M167 HydrophobicContact CD1-CE 4.48Å; I158-M167 HydrophobicContact CG1-CB 3.84Å; I158-M167 WeakPolarHBondContact CG1-O 3.27Å; I158-M167 PolarHBondContact N-O 2.82Å; I158-V169 HydrophobicContact CB-CG2 4.47Å; I158-V169 HydrophobicContact CD1-CG2 3.83Å; I158-V169 HydrophobicContact CG1-CG2 4.12Å; I158-V169 HydrophobicContact CG2-CB 4.04Å; I158-V169 HydrophobicContact CG2-CG2 3.54Å; I158-W183 HydrophobicContact CD1-CH2 4.34Å; I158-L228 HydrophobicContact CD1-CD2 4.34Å; I158-N298 HydrophobicContact CD1-CB 4.21Å; I158-N298 HydrophobicContact CG1-CB 4.31Å; I158-I299 HydrophobicContact CD1-CG1 4.3Å; I158-L302 HydrophobicContact CG2-CD1 3.99Å; I158-L302 HydrophobicContact CG2-CD2 4.05Å; I158-L302 HydrophobicContact CG2-CG 4.46Å
159G98.8Very high98.7Very high19 Ų1955.4 Ų55.420%0.19628%0.275CS..EExtended strand (participates in β ladder)trans147.3-167.5-175.800000110.5E157 M167E157-G159 VanDerWaalsContact C-N 3.35Å; G159-M167 PolarHBondContact O-N 3.14Å
160R98.8Very high98.7Very high116 Ų11653.2 Ų53.244%0.43827%0.265SS..EExtended strand (participates in β ladder)trans-128151.7177.9-59-167.1173.2-179.3-3.9111.1E157 N164 R165 I294 N298E157-R160 IonicContact OE1-CZ 3.79Å; E157-R160 IonicContact OE1-NE 2.71Å; E157-R160 PolarHBondContact OE1-NE 3.09Å; E157-R160 IonicContact OE1-NH2 3.25Å; R160-N164 WeakPolarHBondContact CD-OD1 3.3Å; R160-N164 PolarHBondContact NH1-OD1 3.12Å; R160-R165 CarbonylContact C-O 3.57Å; R160-R165 WeakPolarHBondContact CA-O 3.41Å; R160-I294 WeakPolarHBondContact O-CG1 3.28Å; R160-I294 WeakPolarHBondContact O-CG2 3.39Å; R160-N298 PolarHBondContact N-ND2 3.48Å; R160-N298 PolarHBondContact O-ND2 3.36Å
161S98.9Very high98.7Very high6 Ų651.2 Ų51.24%0.04225%0.248CC..  trans-70.9175173.267.10000112.3E163 N164 R165 D234 I294 E295S161-E163 PolarHBondContact O-N 2.74Å; S161-N164 WeakPolarHBondContact O-CA 3.45Å; S161-N164 PolarHBondContact O-N 2.9Å; S161-R165 PolarHBondContact N-O 3.35Å; S161-R165 WeakPolarHBondContact OG-CA 3.17Å; S161-R165 WeakPolarHBondContact OG-CB 3.25Å; S161-R165 PolarHBondContact OG-N 2.83Å; S161-R165 PolarHBondContact OG-O 2.96Å; S161-D234 VanDerWaalsContact CB-CG 3.48Å; S161-D234 VanDerWaalsContact CB-OD1 3.29Å; S161-D234 WeakPolarHBondContact CB-OD1 3.43Å; S161-D234 VanDerWaalsContact CB-OD2 3.27Å; S161-D234 WeakPolarHBondContact CB-OD2 3.36Å; S161-D234 PolarHBondContact OG-OD1 3.42Å; S161-D234 PolarHBondContact OG-OD2 3.38Å; S161-D234 VanDerWaalsContact OG-OD2 3.12Å; S161-I294 VanDerWaalsContact C-CG2 3.49Å; S161-E295 VanDerWaalsContact CA-OE1 3.27Å; S161-E295 WeakPolarHBondContact CA-OE1 3.32Å; S161-E295 WeakPolarHBondContact CB-OE1 3.45Å
162Y98.8Very high98.8Very high122 Ų12243.7 Ų43.748%0.47821%0.208SC..THydrogen-bonded Turntrans-57.1-46.5178.7-176.8-89.2000112.6N164 D234 P252 I294 E295Y162-N164 PolarHBondContact O-N 3.4Å; Y162-D234 PolarHBondContact N-OD2 2.86Å; Y162-P252 HydrophobicContact CE1-CG 4.1Å; Y162-P252 HydrophobicContact CE2-CG 4.38Å; Y162-P252 WeakPolarHBondContact OH-CD 3.23Å; Y162-P252 WeakPolarHBondContact OH-CG 3.44Å; Y162-I294 VanDerWaalsContact N-CG2 3.34Å; Y162-E295 PolarHBondContact N-OE1 2.76Å
163E98.8Very high98.8Very high83 Ų8344 Ų4439%0.38821%0.21SC..THydrogen-bonded Turntrans-82.319.1176-57.9-177166.500112.4S161 R165 D234 R250S161-E163 PolarHBondContact O-N 2.74Å; E163-R165 PolarHBondContact O-N 3.23Å; E163-R165 IonicContact OE2-CZ 3.7Å; E163-R165 IonicContact OE2-NH1 3.53Å; E163-R165 PolarHBondContact OE2-NH1 2.93Å; E163-R165 IonicContact OE2-NH2 2.8Å; E163-R165 PolarHBondContact OE2-NH2 3.47Å; E163-D234 HydrophobicContact CB-CB 4.5Å; E163-D234 WeakPolarHBondContact CB-OD2 3.44Å; E163-D234 HydrophobicContact CG-CB 4.28Å; E163-D234 PolarHBondContact N-OD2 2.76Å; E163-R250 HydrophobicContact CG-CB 4.23Å; E163-R250 IonicContact OE1-NE 3.7Å
164N98.8Very high98.8Very high99 Ų9946.3 Ų46.353%0.52923%0.225SC..  trans64.735.3171.2-175.453.8000114.4R160 S161 Y162R160-N164 WeakPolarHBondContact CD-OD1 3.3Å; R160-N164 PolarHBondContact NH1-OD1 3.12Å; S161-N164 WeakPolarHBondContact O-CA 3.45Å; S161-N164 PolarHBondContact O-N 2.9Å; Y162-N164 PolarHBondContact O-N 3.4Å
165R98.8Very high98.6Very high54 Ų5445.1 Ų45.120%0.20422%0.224CC..  trans-88.6139.4167.8-60.2-173.717977.31.5110.3R160 S161 E163 P233 D234R160-R165 CarbonylContact C-O 3.57Å; R160-R165 WeakPolarHBondContact CA-O 3.41Å; S161-R165 PolarHBondContact N-O 3.35Å; S161-R165 WeakPolarHBondContact OG-CA 3.17Å; S161-R165 WeakPolarHBondContact OG-CB 3.25Å; S161-R165 PolarHBondContact OG-N 2.83Å; S161-R165 PolarHBondContact OG-O 2.96Å; E163-R165 PolarHBondContact O-N 3.23Å; E163-R165 IonicContact OE2-CZ 3.7Å; E163-R165 IonicContact OE2-NH1 3.53Å; E163-R165 PolarHBondContact OE2-NH1 2.93Å; E163-R165 IonicContact OE2-NH2 2.8Å; E163-R165 PolarHBondContact OE2-NH2 3.47Å; R165-P233 HydrophobicContact CB-CB 4.33Å; R165-P233 HydrophobicContact CB-CG 4.33Å; R165-D234 IonicContact CZ-OD1 2.66Å; R165-D234 IonicContact NH1-OD1 3.68Å; R165-D234 PolarHBondContact NH1-OD1 3.11Å
166P98.8Very high98.3Very high28 Ų2845.9 Ų45.918%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-65.5139.4177.728.2-33.9000110.6Y139 E157 Y168Y139-P166 HydrophobicContact CE2-CG 4.02Å; Y139-P166 WeakPolarHBondContact CE2-O 3.5Å; Y139-P166 PolarHBondContact OH-O 3.19Å; E157-P166 HydrophobicContact CG-CB 4.04Å; P166-Y168 HydrophobicContact CB-CD1 4.38Å; P166-Y168 HydrophobicContact CB-CD2 4.38Å; P166-Y168 HydrophobicContact CB-CE1 3.74Å; P166-Y168 HydrophobicContact CB-CE2 3.76Å; P166-Y168 WeakPolarHBondContact CB-OH 3.48Å; P166-Y168 HydrophobicContact CG-CD2 4.26Å; P166-Y168 HydrophobicContact CG-CE1 4.28Å; P166-Y168 HydrophobicContact CG-CE2 3.42Å; P166-Y168 VanDerWaalsContact CG-CE2 3.42Å; P166-Y168 VanDerWaalsContact CG-CZ 3.41Å; P166-Y168 VanDerWaalsContact CG-OH 3.28Å; P166-Y168 WeakPolarHBondContact CG-OH 3.25Å
167M98.9Very high98Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-98.7110.4170.7-68.8-177.871.700109E157 I158 G159 L228 A231 P233 E295 N298E157-M167 WeakPolarHBondContact CA-O 3.32Å; I158-M167 HydrophobicContact CD1-CB 4.45Å; I158-M167 HydrophobicContact CD1-CE 4.48Å; I158-M167 HydrophobicContact CG1-CB 3.84Å; I158-M167 WeakPolarHBondContact CG1-O 3.27Å; I158-M167 PolarHBondContact N-O 2.82Å; G159-M167 PolarHBondContact O-N 3.14Å; M167-L228 HydrophobicContact CE-CD1 4.49Å; M167-L228 HydrophobicContact CE-CD2 3.88Å; M167-A231 WeakPolarHBondContact CE-O 3.44Å; M167-P233 HydrophobicContact CG-CG 4.26Å; M167-E295 HydrophobicContact CE-CB 3.94Å; M167-E295 HydrophobicContact CE-CG 4.38Å; M167-E295 VanDerWaalsContact SD-CA 3.55Å; M167-E295 HydrophobicContact SD-CB 3.91Å; M167-E295 HydrophobicContact SD-CG 3.95Å; M167-N298 HydrophobicContact SD-CB 4.12Å; M167-N298 PolarHBondContact SD-ND2 2.96Å
168Y98.9Very high97.7Very high46 Ų4649.8 Ų49.818%0.1828%0.276CS..EExtended strand (participates in β ladder)trans-102.3129.9-174.8-66.8-52.4000112.7Y139 M142 K155 L156 E157 P166 L228Y139-Y168 HydrophobicContact CD1-CD2 4.07Å; Y139-Y168 AromaticContact CD2-CD2 3.68Å; Y139-Y168 HydrophobicContact CD2-CD2 3.68Å; Y139-Y168 AromaticContact CD2-CE2 3.61Å; Y139-Y168 HydrophobicContact CD2-CE2 3.61Å; Y139-Y168 HydrophobicContact CE1-CD2 4.02Å; Y139-Y168 AromaticContact CE2-CD2 3.6Å; Y139-Y168 HydrophobicContact CE2-CD2 3.6Å; Y139-Y168 AromaticContact CE2-CE2 3.72Å; Y139-Y168 HydrophobicContact CE2-CE2 3.72Å; Y139-Y168 AromaticContact CG-CD2 3.9Å; Y139-Y168 HydrophobicContact CG-CD2 3.9Å; Y139-Y168 HydrophobicContact CG-CE2 4.14Å; Y139-Y168 AromaticContact CZ-CD2 3.76Å; M142-Y168 HydrophobicContact CE-CG 4.39Å; K155-Y168 HydrophobicContact CD-CD1 3.96Å; K155-Y168 HydrophobicContact CD-CD2 4.13Å; K155-Y168 HydrophobicContact CD-CE1 4.47Å; K155-Y168 HydrophobicContact CD-CG 3.79Å; K155-Y168 HydrophobicContact CG-CD1 3.91Å; K155-Y168 HydrophobicContact CG-CG 4.02Å; L156-Y168 CarbonylContact O-C 3.49Å; L156-Y168 WeakPolarHBondContact O-CA 3.26Å; E157-Y168 HydrophobicContact CB-CD1 4.07Å; E157-Y168 HydrophobicContact CB-CE1 3.89Å; E157-Y168 HydrophobicContact CG-CD1 4.48Å; E157-Y168 HydrophobicContact CG-CE1 4.15Å; P166-Y168 HydrophobicContact CB-CD1 4.38Å; P166-Y168 HydrophobicContact CB-CD2 4.38Å; P166-Y168 HydrophobicContact CB-CE1 3.74Å; P166-Y168 HydrophobicContact CB-CE2 3.76Å; P166-Y168 WeakPolarHBondContact CB-OH 3.48Å; P166-Y168 HydrophobicContact CG-CD2 4.26Å; P166-Y168 HydrophobicContact CG-CE1 4.28Å; P166-Y168 HydrophobicContact CG-CE2 3.42Å; P166-Y168 VanDerWaalsContact CG-CE2 3.42Å; P166-Y168 VanDerWaalsContact CG-CZ 3.41Å; P166-Y168 VanDerWaalsContact CG-OH 3.28Å; P166-Y168 WeakPolarHBondContact CG-OH 3.25Å; Y168-L228 VanDerWaalsContact O-CD1 3.25Å; Y168-L228 WeakPolarHBondContact O-CD1 3.38Å
169V98.9Very high97.7Very high0 Ų049.7 Ų49.70%027%0.274CS..EExtended strand (participates in β ladder)trans-108.3131.4170.7175.30000109.6K155 L156 I158 W183 Y226 M227 L228K155-V169 WeakPolarHBondContact CA-O 3.48Å; L156-V169 HydrophobicContact CB-CB 4.49Å; L156-V169 PolarHBondContact N-O 3.41Å; L156-V169 PolarHBondContact O-N 3.18Å; I158-V169 HydrophobicContact CB-CG2 4.47Å; I158-V169 HydrophobicContact CD1-CG2 3.83Å; I158-V169 HydrophobicContact CG1-CG2 4.12Å; I158-V169 HydrophobicContact CG2-CB 4.04Å; I158-V169 HydrophobicContact CG2-CG2 3.54Å; V169-W183 HydrophobicContact CG1-CZ3 4.32Å; V169-W183 HydrophobicContact CG2-CH2 3.92Å; V169-W183 HydrophobicContact CG2-CZ3 3.97Å; V169-Y226 HydrophobicContact CG1-CD1 3.79Å; V169-Y226 HydrophobicContact CG1-CG 4.3Å; V169-M227 CarbonylContact C-O 3.59Å; V169-M227 WeakPolarHBondContact CA-O 3.41Å; V169-L228 HydrophobicContact CG2-CB 4.11Å; V169-L228 HydrophobicContact CG2-CD1 4.15Å
170L98.9Very high97.7Very high0 Ų050.6 Ų50.60%028%0.277CS..EExtended strand (participates in β ladder)trans-85.1121.3165-64.8177.7000109.1M142 L145 V146 V153 T154 K155 F172 A203 Y226 M227 I229M142-L170 HydrophobicContact CB-CD2 4.19Å; M142-L170 HydrophobicContact CE-CD2 3.87Å; M142-L170 HydrophobicContact CE-CG 3.87Å; M142-L170 HydrophobicContact CG-CD1 4.28Å; M142-L170 HydrophobicContact CG-CD2 4.36Å; M142-L170 HydrophobicContact CG-CG 4.48Å; L145-L170 HydrophobicContact CD2-CD1 3.8Å; V146-L170 HydrophobicContact CG2-CD2 4.19Å; V153-L170 HydrophobicContact CG1-CB 4.41Å; V153-L170 HydrophobicContact CG1-CD2 4.04Å; T154-L170 CarbonylContact O-C 3.6Å; T154-L170 WeakPolarHBondContact O-CA 3.4Å; K155-L170 HydrophobicContact CB-CD2 4.23Å; K155-L170 HydrophobicContact CG-CD2 4.47Å; L170-F172 HydrophobicContact CB-CD2 4.48Å; L170-F172 HydrophobicContact CB-CE2 3.69Å; L170-F172 HydrophobicContact CB-CZ 4.04Å; L170-F172 HydrophobicContact CD1-CE2 4.43Å; L170-F172 HydrophobicContact CD1-CZ 4.07Å; L170-A203 HydrophobicContact CD1-CB 3.73Å; L170-Y226 CarbonylContact O-C 3.55Å; L170-Y226 WeakPolarHBondContact O-CA 3.49Å; L170-M227 HydrophobicContact CB-CB 4.48Å; L170-M227 PolarHBondContact N-O 3.25Å; L170-M227 PolarHBondContact O-N 2.84Å; L170-I229 HydrophobicContact CD1-CD1 3.94Å
171K98.8Very high97.7Very high41 Ų4145.1 Ų45.118%0.17826%0.256CS..EExtended strand (participates in β ladder)trans-99.5120.9169.8173.8-177.7178.4147.50109.1V153 T154 L156 S173 D224 I225 Y226V153-K171 WeakPolarHBondContact CA-O 3.39Å; T154-K171 PolarHBondContact N-O 3.14Å; T154-K171 PolarHBondContact O-N 3.38Å; T154-K171 WeakPolarHBondContact OG1-CB 3.07Å; L156-K171 HydrophobicContact CD1-CB 3.97Å; L156-K171 HydrophobicContact CD1-CD 4.37Å; L156-K171 HydrophobicContact CG-CB 4.47Å; K171-S173 VanDerWaalsContact CE-CB 3.43Å; K171-D224 WeakPolarHBondContact CE-OD2 3.27Å; K171-D224 IonicContact NZ-OD2 3.74Å; K171-D224 PolarHBondContact NZ-OD2 2.88Å; K171-I225 CarbonylContact C-O 3.59Å; K171-I225 WeakPolarHBondContact CA-O 3.34Å; K171-Y226 HydrophobicContact CB-CD1 4.33Å; K171-Y226 HydrophobicContact CB-CE1 4.2Å; K171-Y226 HydrophobicContact CD-CE1 4.04Å; K171-Y226 HydrophobicContact CD-CE2 4.23Å; K171-Y226 WeakPolarHBondContact CD-OH 3.05Å; K171-Y226 HydrophobicContact CG-CE1 4.18Å; K171-Y226 HydrophobicContact CG-CE2 4.17Å; K171-Y226 PolarHBondContact NZ-OH 2.61Å
172F98.9Very high97.7Very high0 Ų044.8 Ų44.80%025%0.254CS..EExtended strand (participates in β ladder)trans-100.1117.6170-55.1-97.1000108.6L145 L152 V153 L170 A203 I206 A207 L220 D224 I225 M227L145-F172 HydrophobicContact CD2-CE1 4.49Å; L145-F172 HydrophobicContact CD2-CZ 4.44Å; L152-F172 CarbonylContact O-C 3.56Å; L152-F172 VanDerWaalsContact O-CA 3.32Å; L152-F172 WeakPolarHBondContact O-CA 3.43Å; V153-F172 HydrophobicContact CG1-CD1 4.35Å; V153-F172 HydrophobicContact CG1-CE1 4.05Å; V153-F172 HydrophobicContact CG1-CZ 4.36Å; V153-F172 HydrophobicContact CG2-CD1 3.63Å; V153-F172 HydrophobicContact CG2-CE1 3.64Å; L170-F172 HydrophobicContact CB-CD2 4.48Å; L170-F172 HydrophobicContact CB-CE2 3.69Å; L170-F172 HydrophobicContact CB-CZ 4.04Å; L170-F172 HydrophobicContact CD1-CE2 4.43Å; L170-F172 HydrophobicContact CD1-CZ 4.07Å; F172-A203 HydrophobicContact CE2-CB 4.48Å; F172-A203 HydrophobicContact CZ-CB 3.79Å; F172-I206 HydrophobicContact CB-CG2 4.16Å; F172-I206 HydrophobicContact CD1-CB 4.12Å; F172-I206 HydrophobicContact CD1-CG2 3.4Å; F172-I206 VanDerWaalsContact CD1-CG2 3.4Å; F172-I206 HydrophobicContact CD2-CG2 4.37Å; F172-I206 HydrophobicContact CE1-CB 4.03Å; F172-I206 HydrophobicContact CE1-CG2 3.84Å; F172-I206 HydrophobicContact CE2-CD1 4.48Å; F172-I206 HydrophobicContact CG-CG2 3.72Å; F172-I206 HydrophobicContact CZ-CB 4.45Å; F172-I206 HydrophobicContact CZ-CG2 4.49Å; F172-A207 HydrophobicContact CE1-CB 4.26Å; F172-L220 HydrophobicContact CB-CD2 3.77Å; F172-D224 WeakPolarHBondContact O-CA 3.31Å; F172-I225 HydrophobicContact CB-CB 4.25Å; F172-I225 HydrophobicContact CD2-CB 4.26Å; F172-I225 HydrophobicContact CD2-CG2 4.39Å; F172-I225 PolarHBondContact N-O 3.26Å; F172-I225 PolarHBondContact O-N 3.49Å; F172-M227 HydrophobicContact CD2-CG 4.48Å; F172-M227 HydrophobicContact CD2-SD 4.41Å; F172-M227 HydrophobicContact CE2-CB 4.24Å; F172-M227 HydrophobicContact CE2-CG 3.96Å; F172-M227 HydrophobicContact CE2-SD 3.6Å; F172-M227 HydrophobicContact CZ-SD 4.19Å
173S98.7Very high97.7Very high17 Ų1739 Ų3912%0.11923%0.231CC..  trans-153.3144.9-175.9-176.40000111.4L152 K171 G175 D224L152-S173 PolarHBondContact O-N 3.01Å; K171-S173 VanDerWaalsContact CE-CB 3.43Å; S173-G175 VanDerWaalsContact C-N 3.35Å; S173-G175 PolarHBondContact OG-N 3.45Å; S173-G175 PolarHBondContact OG-O 3.5Å; S173-D224 WeakPolarHBondContact CB-OD1 3.26Å; S173-D224 PolarHBondContact OG-OD1 3.22Å; S173-D224 PolarHBondContact OG-OD2 2.98Å
174T98.3Very high97.7Very high50 Ų5035.1 Ų35.131%0.30721%0.213SC..  trans-98.915.1173.556.80000112.2L152 R179 Y210 L220L152-T174 HydrophobicContact CD1-CG2 4.07Å; T174-R179 PolarHBondContact OG1-NH1 2.89Å; T174-R179 PolarHBondContact OG1-NH2 3.28Å; T174-Y210 HydrophobicContact CG2-CE1 4.25Å; T174-Y210 HydrophobicContact CG2-CE2 3.55Å; T174-Y210 WeakPolarHBondContact CG2-OH 3.43Å; T174-L220 HydrophobicContact CG2-CB 4.29Å; T174-L220 VanDerWaalsContact CG2-O 3.24Å; T174-L220 WeakPolarHBondContact CG2-O 3.49Å; T174-L220 PolarHBondContact OG1-O 3.23Å
175G94.4Very high97.7Very high35 Ų3530.4 Ų30.436%0.36119%0.187SC..SBendtrans105.4-159.6179.800000112.9S173 R179S173-G175 VanDerWaalsContact C-N 3.35Å; S173-G175 PolarHBondContact OG-N 3.45Å; S173-G175 PolarHBondContact OG-O 3.5Å; G175-R179 WeakPolarHBondContact O-CD 3.41Å; G175-R179 PolarHBondContact O-NH1 3.37Å
176G94.4Very high97.7Very high68 Ų6827.9 Ų27.970%0.70118%0.178SC*.  trans82.5-179.3-174.300000113.7
177T91.9Very high97.7Very high136 Ų13626.5 Ų26.583%0.83417%0.169SC*.SBendtrans-128.4130.5-177.7-54.30000109.6R179T177-R179 VanDerWaalsContact C-N 3.27Å; T177-R179 PolarHBondContact O-N 3.13Å
178N92.4Very high97.7Very high96 Ų9626.7 Ų26.751%0.51317%0.17SC..SBendtrans48.145.5177.9-165.628.4000113.8H306 N308N178-H306 PolarHBondContact OD1-O 2.9Å; N178-N308 PolarHBondContact O-ND2 2.72Å; N178-N308 WeakPolarHBondContact OD1-CB 3.29Å
179R97.6Very high97.7Very high28 Ų2824.5 Ų24.511%0.10616%0.162CC..  trans-67.1153.2178.6-74.1170.863.4-177.5-7.2110.7T174 G175 T177 A181 L220 N221 T222 M223 D224 H306T174-R179 PolarHBondContact OG1-NH1 2.89Å; T174-R179 PolarHBondContact OG1-NH2 3.28Å; G175-R179 WeakPolarHBondContact O-CD 3.41Å; G175-R179 PolarHBondContact O-NH1 3.37Å; T177-R179 VanDerWaalsContact C-N 3.27Å; T177-R179 PolarHBondContact O-N 3.13Å; R179-A181 PolarHBondContact O-N 3.19Å; R179-L220 PolarHBondContact NH2-O 2.7Å; R179-N221 PolarHBondContact NH2-O 3.12Å; R179-T222 PolarHBondContact NE-O 2.79Å; R179-T222 VanDerWaalsContact NE-O 3.17Å; R179-T222 VanDerWaalsContact NH2-N 3.17Å; R179-T222 PolarHBondContact NH2-O 2.89Å; R179-M223 PolarHBondContact NH2-O 2.92Å; R179-M223 VanDerWaalsContact NH2-O 3.1Å; R179-D224 IonicContact CZ-OD1 3.61Å; R179-D224 IonicContact NE-OD1 3.38Å; R179-D224 IonicContact NH1-OD1 2.73Å; R179-H306 PolarHBondContact O-CE1 3.18Å
180P98.4Very high97.7Very high38 Ų3824.5 Ų24.525%0.24716%0.162CC..  trans-51.4132.7167.1-2434.2000109.8M223 D224 N308 K310P180-M223 HydrophobicContact CB-CE 3.93Å; P180-M223 HydrophobicContact CB-CG 4.38Å; P180-M223 CarbonylContact O-C 3.56Å; P180-M223 WeakPolarHBondContact O-CA 3.47Å; P180-M223 VanDerWaalsContact O-CB 3.3Å; P180-M223 WeakPolarHBondContact O-CB 3.44Å; P180-D224 PolarHBondContact O-N 2.84Å; P180-N308 WeakPolarHBondContact CA-O 3.42Å; P180-K310 HydrophobicContact CB-CG 3.84Å
181A98.6Very high97.7Very high0 Ų024.7 Ų24.70%016%0.162CC..EExtended strand (participates in β ladder)trans-124.8152.9-173.100000112.9R179 D224 Y226 H306 N308 F309 K310R179-A181 PolarHBondContact O-N 3.19Å; A181-D224 CarbonylContact C-O 3.58Å; A181-D224 VanDerWaalsContact CA-O 3.25Å; A181-D224 WeakPolarHBondContact CA-O 3.5Å; A181-D224 HydrophobicContact CB-CB 4.23Å; A181-Y226 HydrophobicContact CB-CD2 4.05Å; A181-Y226 HydrophobicContact CB-CE2 4.02Å; A181-H306 VanDerWaalsContact CB-CE1 3.47Å; A181-H306 WeakPolarHBondContact CB-CE1 3.49Å; A181-N308 PolarHBondContact N-O 2.96Å; A181-F309 HydrophobicContact CB-CD1 3.55Å; A181-F309 HydrophobicContact CB-CE1 3.52Å; A181-F309 HydrophobicContact CB-CG 4.26Å; A181-F309 HydrophobicContact CB-CZ 4.23Å; A181-F309 CarbonylContact O-C 3.52Å; A181-F309 WeakPolarHBondContact O-CA 3.42Å; A181-K310 PolarHBondContact O-N 3.48Å
182I98.9Very high97.7Very high0 Ų022.9 Ų22.90%015%0.154CC..EExtended strand (participates in β ladder)trans-109.5125.9170-66.5148.5000107.6V219 M223 D224 I225 Y226 I313 M421I182-V219 HydrophobicContact CD1-CG1 4.24Å; I182-M223 HydrophobicContact CD1-CB 4.46Å; I182-M223 HydrophobicContact CD1-CE 3.96Å; I182-M223 HydrophobicContact CD1-SD 3.81Å; I182-M223 HydrophobicContact CG1-CE 3.78Å; I182-M223 HydrophobicContact CG1-SD 4.31Å; I182-D224 PolarHBondContact N-O 3.4Å; I182-I225 HydrophobicContact CB-CG1 4.48Å; I182-I225 HydrophobicContact CD1-CG1 4.41Å; I182-I225 WeakPolarHBondContact O-CA 3.49Å; I182-Y226 PolarHBondContact O-N 2.9Å; I182-I313 HydrophobicContact CG2-CD1 4.43Å; I182-M421 HydrophobicContact CD1-CB 3.99Å; I182-M421 HydrophobicContact CD1-CG 3.76Å; I182-M421 HydrophobicContact CD1-SD 4.22Å; I182-M421 HydrophobicContact CG2-CG 4.48Å
183W98.9Very high97.7Very high0 Ų023.2 Ų23.20%016%0.156CC..EExtended strand (participates in β ladder)trans-94.5137.5170.9174.2-92.7000110I158 V169 D185 L228 I299 L302 V303 F309 S311 F312 I313I158-W183 HydrophobicContact CD1-CH2 4.34Å; V169-W183 HydrophobicContact CG1-CZ3 4.32Å; V169-W183 HydrophobicContact CG2-CH2 3.92Å; V169-W183 HydrophobicContact CG2-CZ3 3.97Å; W183-D185 HydrophobicContact CZ2-CB 3.98Å; W183-D185 PolarHBondContact NE1-OD2 2.81Å; W183-L228 HydrophobicContact CH2-CB 3.77Å; W183-L228 HydrophobicContact CH2-CD2 3.96Å; W183-L228 HydrophobicContact CZ2-CB 3.82Å; W183-L228 HydrophobicContact CZ2-CD2 3.84Å; W183-I299 HydrophobicContact CH2-CG1 4.23Å; W183-I299 HydrophobicContact CH2-CG2 4.04Å; W183-I299 HydrophobicContact CZ2-CB 4.25Å; W183-I299 HydrophobicContact CZ2-CD1 4.21Å; W183-I299 HydrophobicContact CZ2-CG1 3.88Å; W183-I299 HydrophobicContact CZ2-CG2 3.45Å; W183-I299 VanDerWaalsContact CZ2-CG2 3.45Å; W183-L302 HydrophobicContact CE3-CD2 4.03Å; W183-L302 HydrophobicContact CH2-CD2 4.11Å; W183-L302 HydrophobicContact CZ3-CD2 3.33Å; W183-V303 HydrophobicContact CD2-CG2 4.49Å; W183-F309 HydrophobicContact CB-CD1 3.7Å; W183-F309 HydrophobicContact CB-CE1 3.67Å; W183-F309 HydrophobicContact CB-CG 4.48Å; W183-F309 HydrophobicContact CB-CZ 4.42Å; W183-F309 HydrophobicContact CE3-CE1 4.37Å; W183-F309 HydrophobicContact CE3-CZ 4.15Å; W183-S311 PolarHBondContact N-O 3.1Å; W183-F312 HydrophobicContact CB-CD2 4.06Å; W183-F312 AromaticContact CD1-CD1 3.91Å; W183-F312 AromaticContact CD1-CD2 3.27Å; W183-F312 AromaticContact CD1-CE1 3.79Å; W183-F312 AromaticContact CD1-CE2 3.14Å; W183-F312 AromaticContact CD1-CG 3.66Å; W183-F312 AromaticContact CD1-CZ 3.41Å; W183-F312 VanDerWaalsContact CD1-CZ 3.41Å; W183-F312 HydrophobicContact CD2-CE2 4.43Å; W183-F312 AromaticContact CG-CD2 3.78Å; W183-F312 HydrophobicContact CG-CD2 3.78Å; W183-F312 AromaticContact CG-CE2 3.83Å; W183-F312 HydrophobicContact CG-CE2 3.83Å; W183-F312 HydrophobicContact CG-CG 4.38Å; W183-F312 HydrophobicContact CG-CZ 4.46Å; W183-F312 AromaticContact NE1-CD2 4Å; W183-F312 AromaticContact NE1-CE1 3.93Å; W183-F312 AromaticContact NE1-CE2 3.36Å; W183-F312 AromaticContact NE1-CZ 3.31Å; W183-F312 VanDerWaalsContact NE1-CZ 3.31Å; W183-I313 PolarHBondContact O-N 3.49Å
184M98.9Very high97.7Very high1 Ų122.6 Ų22.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-138.7121.6171.5-173.4-177.2-55.300110.5L186 T202 Y226 M227 L228 I313 V315 L417M184-L186 HydrophobicContact CG-CD1 4.15Å; M184-L186 HydrophobicContact SD-CD1 4.41Å; M184-T202 HydrophobicContact SD-CG2 4.44Å; M184-Y226 PolarHBondContact N-O 2.95Å; M184-M227 HydrophobicContact CB-CG 4.23Å; M184-M227 CarbonylContact O-C 3.59Å; M184-M227 VanDerWaalsContact O-CA 3.26Å; M184-M227 WeakPolarHBondContact O-CA 3.34Å; M184-M227 HydrophobicContact SD-CE 3.85Å; M184-L228 PolarHBondContact O-N 3.25Å; M184-I313 CarbonylContact C-O 3.51Å; M184-I313 VanDerWaalsContact CA-O 3.23Å; M184-I313 WeakPolarHBondContact CA-O 3.49Å; M184-I313 HydrophobicContact CE-CD1 4.45Å; M184-I313 HydrophobicContact CG-CB 4.4Å; M184-V315 HydrophobicContact CG-CG2 4.42Å; M184-L417 HydrophobicContact CE-CD1 3.93Å; M184-L417 HydrophobicContact CE-CD2 3.78Å; M184-L417 HydrophobicContact CE-CG 4.31Å; M184-L417 HydrophobicContact SD-CD1 4.14Å
185D98.9Very high97.7Very high0 Ų020.2 Ų20.20%014%0.137CC..EExtended strand (participates in β ladder)trans-118.4148.6172.164.785.7000111.9W183 L228 A231 F312 I313 S314 V315W183-D185 HydrophobicContact CZ2-CB 3.98Å; W183-D185 PolarHBondContact NE1-OD2 2.81Å; D185-L228 WeakPolarHBondContact CA-O 3.26Å; D185-L228 HydrophobicContact CB-CB 4.11Å; D185-L228 HydrophobicContact CB-CD2 4.46Å; D185-A231 HydrophobicContact CB-CB 4.38Å; D185-F312 VanDerWaalsContact OD2-CE1 3.26Å; D185-F312 WeakPolarHBondContact OD2-CE1 3.25Å; D185-F312 WeakPolarHBondContact OD2-CZ 3.43Å; D185-I313 PolarHBondContact N-O 2.94Å; D185-S314 WeakPolarHBondContact OD1-CB 3.33Å; D185-S314 PolarHBondContact OD1-OG 3.29Å; D185-V315 PolarHBondContact O-N 2.61Å
186L98.9Very high97.9Very high1 Ų118.6 Ų18.61%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-136153.9179.3-52.699.7000109.6M184 I188 S195 M227 L228 I229 A231 V315M184-L186 HydrophobicContact CG-CD1 4.15Å; M184-L186 HydrophobicContact SD-CD1 4.41Å; L186-I188 VanDerWaalsContact C-N 3.32Å; L186-I188 PolarHBondContact O-N 3.22Å; L186-S195 WeakPolarHBondContact CD2-O 3.15Å; L186-M227 HydrophobicContact CD1-CE 4.32Å; L186-L228 PolarHBondContact N-O 3.26Å; L186-I229 CarbonylContact C-O 3.52Å; L186-I229 CarbonylContact O-C 3.48Å; L186-A231 WeakPolarHBondContact O-CB 3.31Å; L186-A231 PolarHBondContact O-N 2.72Å; L186-V315 HydrophobicContact CB-CB 4.45Å; L186-V315 HydrophobicContact CD2-CB 3.73Å; L186-V315 HydrophobicContact CD2-CG1 3.92Å; L186-V315 HydrophobicContact CD2-CG2 4Å; L186-V315 HydrophobicContact CG-CB 3.84Å; L186-V315 HydrophobicContact CG-CG2 4.1Å
187G98.8Very high98.1Very high0 Ų015.7 Ų15.70%09%0.089CC..  trans66.432.4172.300000114.3S195 Q196 N232G187-S195 WeakPolarHBondContact CA-OG 3.3Å; G187-S195 PolarHBondContact N-OG 2.94Å; G187-S195 VanDerWaalsContact N-OG 3.13Å; G187-Q196 VanDerWaalsContact CA-CD 3.48Å; G187-N232 PolarHBondContact O-N 3.1Å
188I98.9Very high98.5Very high3 Ų39.3 Ų9.32%0.0155%0.05CC..SBendtrans-65.4-34.7171.8-160.7177.8000110.2L186 A231 N232 P263 W267 H316L186-I188 VanDerWaalsContact C-N 3.32Å; L186-I188 PolarHBondContact O-N 3.22Å; I188-A231 HydrophobicContact CB-CB 3.96Å; I188-A231 HydrophobicContact CG1-CB 4.2Å; I188-N232 WeakPolarHBondContact O-CB 3.44Å; I188-N232 PolarHBondContact O-ND2 3.13Å; I188-P263 HydrophobicContact CD1-CB 4.13Å; I188-P263 HydrophobicContact CG1-CB 3.78Å; I188-P263 HydrophobicContact CG1-CG 3.81Å; I188-P263 WeakPolarHBondContact O-CG 3.46Å; I188-W267 HydrophobicContact CD1-CZ2 4.1Å; I188-H316 WeakPolarHBondContact CG2-CE1 3.13Å
189H98.9Very high98.8Very high1 Ų14.7 Ų4.71%0.0053%0.026CC..SBendtrans-94.8131.1161.6-58.1132.9000110.6E192 R247 D262 N264 H316H189-E192 VanDerWaalsContact CB-CD 3.41Å; H189-E192 HydrophobicContact CB-CG 3.82Å; H189-E192 WeakPolarHBondContact CB-OE1 3.29Å; H189-E192 IonicContact CE1-OE1 3.54Å; H189-E192 IonicContact CG-OE1 2.68Å; H189-E192 IonicContact ND1-OE1 3.45Å; H189-E192 PolarHBondContact ND1-OE1 3.41Å; H189-E192 IonicContact ND1-OE2 3.07Å; H189-E192 PolarHBondContact O-N 3.29Å; H189-R247 WeakPolarHBondContact CA-O 3.34Å; H189-R247 HydrophobicContact CB-CG 3.88Å; H189-R247 PolarHBondContact CE1-NH1 2.85Å; H189-R247 PolarHBondContact CE1-NH2 3.38Å; H189-R247 PolarHBondContact ND1-NH1 3.5Å; H189-R247 PolarHBondContact ND1-NH2 3.09Å; H189-R247 VanDerWaalsContact NE2-CZ 3.33Å; H189-R247 PolarHBondContact NE2-NH2 3.3Å; H189-R247 VanDerWaalsContact NE2-NH2 3.2Å; H189-D262 IonicContact CD2-OD1 3.12Å; H189-D262 IonicContact NE2-OD1 3.85Å; H189-D262 PolarHBondContact NE2-OD1 3.41Å; H189-D262 IonicContact NE2-OD2 3.4Å; H189-N264 WeakPolarHBondContact NE2-CB 3.49Å; H189-H316 AromaticContact CE1-CE1 3.36Å; H189-H316 PolarHBondContact CE1-CE1 2.87Å; H189-H316 AromaticContact CE1-ND1 3.58Å; H189-H316 AromaticContact ND1-CE1 3.48Å; H189-H316 PolarHBondContact ND1-CE1 3.25Å; H189-H316 AromaticContact ND1-ND1 3.24Å; H189-H316 PolarHBondContact ND1-ND1 3.15Å
190S98.8Very high98.9Very high0 Ų03.5 Ų3.50%02%0.021CC..THydrogen-bonded Turntrans-75.5-32.6-165.835.40000114.8E192 W193 G235 Y236 W246 R247S190-E192 VanDerWaalsContact C-N 3.27Å; S190-E192 PolarHBondContact O-N 2.87Å; S190-W193 PolarHBondContact O-NE1 2.87Å; S190-G235 VanDerWaalsContact CB-O 3.25Å; S190-G235 WeakPolarHBondContact CB-O 3.29Å; S190-Y236 VanDerWaalsContact CB-N 3.27Å; S190-W246 PolarHBondContact OG-O 3.07Å; S190-R247 PolarHBondContact N-O 2.79Å; S190-R247 VanDerWaalsContact N-O 3.09Å; S190-R247 VanDerWaalsContact OG-C 3.31Å; S190-R247 PolarHBondContact OG-O 2.9Å
191R98.8Very high98.9Very high3 Ų33.5 Ų3.51%0.0112%0.016CC..THydrogen-bonded Turntrans-70.5-14.4177.265.8-167.9-173.5-176.73.4115.5D61 F62 W193 R244 M245 W246 F399D61-R191 IonicContact OD1-CZ 3.62Å; D61-R191 IonicContact OD1-NH1 2.75Å; D61-R191 PolarHBondContact OD1-NH1 2.99Å; D61-R191 IonicContact OD1-NH2 3.41Å; D61-R191 IonicContact OD2-NH1 3.51Å; F62-R191 PolarHBondContact O-NH2 2.88Å; R191-W193 PolarHBondContact O-N 3.31Å; R191-R244 PolarHBondContact O-NH1 3.43Å; R191-M245 WeakPolarHBondContact CD-O 3.29Å; R191-M245 PolarHBondContact NH1-O 3.04Å; R191-W246 VanDerWaalsContact CB-O 3.3Å; R191-W246 WeakPolarHBondContact CB-O 3.26Å; R191-W246 PolarHBondContact N-O 3.36Å; R191-F399 HydrophobicContact CG-CB 4.49Å; R191-F399 HydrophobicContact CG-CD1 4.12Å; R191-F399 HydrophobicContact CG-CD2 4.24Å; R191-F399 HydrophobicContact CG-CE1 4.43Å; R191-F399 HydrophobicContact CG-CG 4.04Å
192E98.9Very high98.9Very high3 Ų33.5 Ų3.51%0.0142%0.016CC..  trans-83.252.2-171.9-57.2179.3-17200111.6H189 S190 V194 S195 Q196 R247 H316 A317 F399H189-E192 VanDerWaalsContact CB-CD 3.41Å; H189-E192 HydrophobicContact CB-CG 3.82Å; H189-E192 WeakPolarHBondContact CB-OE1 3.29Å; H189-E192 IonicContact CE1-OE1 3.54Å; H189-E192 IonicContact CG-OE1 2.68Å; H189-E192 IonicContact ND1-OE1 3.45Å; H189-E192 PolarHBondContact ND1-OE1 3.41Å; H189-E192 IonicContact ND1-OE2 3.07Å; H189-E192 PolarHBondContact O-N 3.29Å; S190-E192 VanDerWaalsContact C-N 3.27Å; S190-E192 PolarHBondContact O-N 2.87Å; E192-V194 PolarHBondContact O-N 2.94Å; E192-S195 VanDerWaalsContact O-CB 3.29Å; E192-S195 WeakPolarHBondContact O-CB 3.45Å; E192-S195 PolarHBondContact O-N 2.61Å; E192-S195 PolarHBondContact O-OG 3.07Å; E192-Q196 PolarHBondContact O-OE1 2.83Å; E192-R247 IonicContact OE1-NH1 2.7Å; E192-R247 PolarHBondContact OE1-NH1 2.59Å; E192-R247 VanDerWaalsContact OE1-NH1 3.11Å; E192-H316 IonicContact OE1-ND1 2.81Å; E192-H316 WeakPolarHBondContact OE2-CA 3.02Å; E192-H316 VanDerWaalsContact OE2-CB 3.24Å; E192-H316 WeakPolarHBondContact OE2-CB 3.46Å; E192-H316 IonicContact OE2-CG 3.77Å; E192-H316 IonicContact OE2-ND1 3.97Å; E192-H316 PolarHBondContact OE2-ND1 2.98Å; E192-A317 HydrophobicContact CB-CB 4.2Å; E192-A317 WeakPolarHBondContact CG-O 3.38Å; E192-A317 PolarHBondContact OE2-N 3.46Å; E192-F399 HydrophobicContact CG-CD1 4.07Å; E192-F399 HydrophobicContact CG-CE1 4.09Å
193W98.9Very high98.9Very high7 Ų73.5 Ų3.53%0.0272%0.016CC..Hα-helixtrans-53.5-30.8-165-78.113.3000115.8E110 M114 Y132 S190 R191 S195 Q196 A197 Y236 S239 H240 R244E110-W193 HydrophobicContact CG-CE3 4.48Å; E110-W193 HydrophobicContact CG-CZ3 4.05Å; E110-W193 WeakPolarHBondContact OE2-CZ3 3.47Å; M114-W193 HydrophobicContact CE-CH2 4.38Å; M114-W193 HydrophobicContact CE-CZ3 4.21Å; M114-W193 HydrophobicContact SD-CH2 4.04Å; M114-W193 HydrophobicContact SD-CZ3 3.51Å; M114-W193 VanDerWaalsContact SD-CZ3 3.51Å; Y132-W193 HydrophobicContact CD1-CB 3.76Å; Y132-W193 HydrophobicContact CD1-CE3 4.24Å; Y132-W193 AromaticContact CD2-CE3 3.92Å; Y132-W193 HydrophobicContact CD2-CE3 3.92Å; Y132-W193 HydrophobicContact CE1-CB 3.63Å; Y132-W193 HydrophobicContact CG-CB 4.42Å; Y132-W193 AromaticContact CG-CE3 3.76Å; Y132-W193 HydrophobicContact CG-CE3 3.76Å; Y132-W193 HydrophobicContact CG-CZ3 4.48Å; S190-W193 PolarHBondContact O-NE1 2.87Å; R191-W193 PolarHBondContact O-N 3.31Å; W193-S195 PolarHBondContact O-N 3.47Å; W193-Q196 PolarHBondContact O-N 3.02Å; W193-Q196 PolarHBondContact O-OE1 3.39Å; W193-A197 PolarHBondContact O-N 2.7Å; W193-A197 VanDerWaalsContact O-N 3.14Å; W193-Y236 AromaticContact CD1-CE2 3.54Å; W193-Y236 HydrophobicContact CG-CE2 4.14Å; W193-Y236 AromaticContact NE1-CD2 3.98Å; W193-Y236 AromaticContact NE1-CE2 3.64Å; W193-S239 PolarHBondContact NE1-OG 2.87Å; W193-H240 AromaticContact CE2-CD2 3.77Å; W193-H240 AromaticContact CE2-NE2 3.57Å; W193-H240 AromaticContact CH2-CD2 3.93Å; W193-H240 AromaticContact CH2-CE1 3.69Å; W193-H240 AromaticContact CH2-ND1 3.92Å; W193-H240 AromaticContact CH2-NE2 3.73Å; W193-H240 AromaticContact CZ2-CD2 3.26Å; W193-H240 WeakPolarHBondContact CZ2-CD2 3.26Å; W193-H240 AromaticContact CZ2-CE1 3.76Å; W193-H240 AromaticContact CZ2-CG 3.71Å; W193-H240 AromaticContact CZ2-NE2 3.31Å; W193-H240 VanDerWaalsContact CZ2-NE2 3.31Å; W193-H240 WeakPolarHBondContact CZ2-NE2 3.46Å; W193-R244 VanDerWaalsContact CD2-CZ 3.43Å
194V98.9Very high98.9Very high5 Ų55.1 Ų5.13%0.033%0.025CC..Hα-helixtrans-63.1-26.5176.569.60000112.2E192 T198 A317 L391 L401 T409E192-V194 PolarHBondContact O-N 2.94Å; V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 2.98Å; V194-T198 PolarHBondContact O-OG1 2.85Å; V194-A317 HydrophobicContact CG1-CB 3.4Å; V194-L391 HydrophobicContact CG1-CB 4.23Å; V194-L391 HydrophobicContact CG1-CD1 4.28Å; V194-L401 HydrophobicContact CB-CD2 4.1Å; V194-L401 HydrophobicContact CG1-CD2 4.45Å; V194-L401 HydrophobicContact CG2-CD2 3.69Å; V194-T409 HydrophobicContact CG2-CG2 3.81Å
195S98.9Very high98.9Very high0 Ų07.7 Ų7.70%04%0.036CC..Hα-helixtrans-64.8-55174.669.60000110.8L186 G187 E192 W193 A197 T198 G199 V315L186-S195 WeakPolarHBondContact CD2-O 3.15Å; G187-S195 WeakPolarHBondContact CA-OG 3.3Å; G187-S195 PolarHBondContact N-OG 2.94Å; G187-S195 VanDerWaalsContact N-OG 3.13Å; E192-S195 VanDerWaalsContact O-CB 3.29Å; E192-S195 WeakPolarHBondContact O-CB 3.45Å; E192-S195 PolarHBondContact O-N 2.61Å; E192-S195 PolarHBondContact O-OG 3.07Å; W193-S195 PolarHBondContact O-N 3.47Å; S195-A197 VanDerWaalsContact C-N 3.32Å; S195-A197 PolarHBondContact O-N 2.78Å; S195-T198 WeakPolarHBondContact O-CB 3.19Å; S195-T198 PolarHBondContact O-N 3.14Å; S195-T198 VanDerWaalsContact O-N 3.17Å; S195-G199 PolarHBondContact O-N 2.97Å; S195-V315 WeakPolarHBondContact CB-O 3.27Å
196Q98.9Very high98.9Very high0 Ų07.7 Ų7.70%04%0.036CC..Hα-helixtrans-59.8-43.6179-62.287-15.600111.1G187 E192 W193 T198 G199 V200 I229 V230 Y236G187-Q196 VanDerWaalsContact CA-CD 3.48Å; E192-Q196 PolarHBondContact O-OE1 2.83Å; W193-Q196 PolarHBondContact O-N 3.02Å; W193-Q196 PolarHBondContact O-OE1 3.39Å; Q196-T198 PolarHBondContact O-N 3.06Å; Q196-G199 WeakPolarHBondContact O-CA 3.29Å; Q196-G199 PolarHBondContact O-N 3.02Å; Q196-G199 VanDerWaalsContact O-N 3.09Å; Q196-V200 WeakPolarHBondContact O-CG2 3.41Å; Q196-V200 PolarHBondContact O-N 2.77Å; Q196-I229 WeakPolarHBondContact CG-O 3.42Å; Q196-V230 HydrophobicContact CG-CG2 4.18Å; Q196-Y236 HydrophobicContact CB-CE2 4.32Å; Q196-Y236 HydrophobicContact CG-CD2 4.18Å; Q196-Y236 HydrophobicContact CG-CE2 3.87Å; Q196-Y236 VanDerWaalsContact NE2-CD2 3.28Å
197A98.9Very high98.9Very high8 Ų87.8 Ų7.87%0.0664%0.038CC..Hα-helixtrans-62.9-40.917800000112.4Y132 W193 S195 G199 V200 W201 I406Y132-A197 HydrophobicContact CD1-CB 3.96Å; Y132-A197 HydrophobicContact CE1-CB 3.98Å; W193-A197 PolarHBondContact O-N 2.7Å; W193-A197 VanDerWaalsContact O-N 3.14Å; S195-A197 VanDerWaalsContact C-N 3.32Å; S195-A197 PolarHBondContact O-N 2.78Å; A197-G199 VanDerWaalsContact C-N 3.29Å; A197-G199 PolarHBondContact O-N 3.31Å; A197-V200 PolarHBondContact O-N 2.8Å; A197-W201 PolarHBondContact O-N 2.88Å; A197-W201 VanDerWaalsContact O-N 3.09Å; A197-I406 HydrophobicContact CB-CD1 4.1Å; A197-I406 HydrophobicContact CB-CG1 4.21Å; A197-I406 HydrophobicContact CB-CG2 3.66Å
198T98.9Very high98.9Very high1 Ų110.7 Ų10.71%0.0066%0.055CC..Hα-helixtrans-62-37.7172-65.40000111.5V194 S195 Q196 W201 T202 L391 A410V194-T198 WeakPolarHBondContact O-CB 3.35Å; V194-T198 PolarHBondContact O-N 2.98Å; V194-T198 PolarHBondContact O-OG1 2.85Å; S195-T198 WeakPolarHBondContact O-CB 3.19Å; S195-T198 PolarHBondContact O-N 3.14Å; S195-T198 VanDerWaalsContact O-N 3.17Å; Q196-T198 PolarHBondContact O-N 3.06Å; T198-W201 PolarHBondContact O-N 2.87Å; T198-T202 VanDerWaalsContact O-CB 3.25Å; T198-T202 WeakPolarHBondContact O-CB 3.2Å; T198-T202 PolarHBondContact O-N 3.41Å; T198-T202 PolarHBondContact O-OG1 2.84Å; T198-L391 HydrophobicContact CG2-CD1 4.29Å; T198-A410 HydrophobicContact CG2-CB 4Å
199G98.9Very high98.8Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-63.9-45177.500000112.8S195 Q196 A197 T202 A203S195-G199 PolarHBondContact O-N 2.97Å; Q196-G199 WeakPolarHBondContact O-CA 3.29Å; Q196-G199 PolarHBondContact O-N 3.02Å; Q196-G199 VanDerWaalsContact O-N 3.09Å; A197-G199 VanDerWaalsContact C-N 3.29Å; A197-G199 PolarHBondContact O-N 3.31Å; G199-T202 PolarHBondContact O-N 2.95Å; G199-A203 WeakPolarHBondContact O-CB 3.06Å; G199-A203 PolarHBondContact O-N 2.84Å
200V98.9Very high98.8Very high3 Ų315.2 Ų15.22%0.0187%0.074CC..Hα-helixtrans-60.1-48.9174.4173.10000111.1F127 F129 I138 W141 Q196 A197 T202 A203 N204 I229F127-V200 HydrophobicContact CD1-CG1 4.42Å; F127-V200 HydrophobicContact CE1-CG1 3.42Å; F127-V200 VanDerWaalsContact CE1-CG1 3.42Å; F127-V200 HydrophobicContact CZ-CG1 3.58Å; F129-V200 HydrophobicContact CD1-CG1 3.82Å; F129-V200 HydrophobicContact CE1-CG1 3.77Å; I138-V200 HydrophobicContact CD1-CG2 4.37Å; I138-V200 HydrophobicContact CG1-CG2 4.18Å; I138-V200 HydrophobicContact CG2-CG2 3.85Å; W141-V200 HydrophobicContact CD2-CG1 3.88Å; W141-V200 HydrophobicContact CE3-CB 4.45Å; W141-V200 HydrophobicContact CE3-CG1 3.7Å; W141-V200 HydrophobicContact CE3-CG2 4.28Å; W141-V200 HydrophobicContact CH2-CB 4.45Å; W141-V200 HydrophobicContact CH2-CG1 3.87Å; W141-V200 WeakPolarHBondContact CH2-O 3.46Å; W141-V200 HydrophobicContact CZ2-CG1 4.07Å; W141-V200 HydrophobicContact CZ3-CB 4.14Å; W141-V200 HydrophobicContact CZ3-CG1 3.69Å; W141-V200 HydrophobicContact CZ3-CG2 4.18Å; Q196-V200 WeakPolarHBondContact O-CG2 3.41Å; Q196-V200 PolarHBondContact O-N 2.77Å; A197-V200 PolarHBondContact O-N 2.8Å; V200-T202 VanDerWaalsContact C-N 3.35Å; V200-T202 PolarHBondContact O-N 2.87Å; V200-A203 PolarHBondContact O-N 2.94Å; V200-N204 PolarHBondContact O-N 3.33Å; V200-N204 VanDerWaalsContact O-N 3.16Å; V200-I229 HydrophobicContact CG2-CD1 4.36Å; V200-I229 HydrophobicContact CG2-CG2 3.75Å
201W98.9Very high98.8Very high37 Ų3718 Ų1814%0.1410%0.103CC..Hα-helixtrans-61.2-43.1177.2-174.999.1000112F129 A197 T198 N204 K205 A410 W414F129-W201 HydrophobicContact CD1-CB 4.39Å; A197-W201 PolarHBondContact O-N 2.88Å; A197-W201 VanDerWaalsContact O-N 3.09Å; T198-W201 PolarHBondContact O-N 2.87Å; W201-N204 WeakPolarHBondContact O-CB 3.3Å; W201-N204 PolarHBondContact O-N 2.81Å; W201-K205 HydrophobicContact CE3-CB 4.05Å; W201-K205 HydrophobicContact CH2-CB 4.12Å; W201-K205 HydrophobicContact CH2-CD 3.82Å; W201-K205 HydrophobicContact CH2-CG 3.76Å; W201-K205 HydrophobicContact CZ2-CD 4.28Å; W201-K205 HydrophobicContact CZ3-CB 3.72Å; W201-K205 HydrophobicContact CZ3-CD 4.27Å; W201-K205 HydrophobicContact CZ3-CG 3.7Å; W201-K205 WeakPolarHBondContact O-CB 3.37Å; W201-K205 PolarHBondContact O-N 3.46Å; W201-A410 HydrophobicContact CB-CB 3.87Å; W201-A410 HydrophobicContact CD2-CB 3.66Å; W201-A410 HydrophobicContact CE3-CB 3.7Å; W201-A410 HydrophobicContact CG-CB 3.74Å; W201-W414 HydrophobicContact CH2-CB 4.19Å; W201-W414 HydrophobicContact CH2-CG 4.28Å; W201-W414 HydrophobicContact CZ3-CB 3.67Å; W201-W414 AromaticContact CZ3-CG 3.92Å; W201-W414 HydrophobicContact CZ3-CG 3.92Å
202T98.9Very high98.8Very high0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-65.9-42.9-178.6-61.60000111.7M184 T198 G199 V200 N204 K205 I206 M227 W414 L417M184-T202 HydrophobicContact SD-CG2 4.44Å; T198-T202 VanDerWaalsContact O-CB 3.25Å; T198-T202 WeakPolarHBondContact O-CB 3.2Å; T198-T202 PolarHBondContact O-N 3.41Å; T198-T202 PolarHBondContact O-OG1 2.84Å; G199-T202 PolarHBondContact O-N 2.95Å; V200-T202 VanDerWaalsContact C-N 3.35Å; V200-T202 PolarHBondContact O-N 2.87Å; T202-N204 VanDerWaalsContact C-N 3.34Å; T202-N204 PolarHBondContact O-N 2.85Å; T202-K205 WeakPolarHBondContact O-CB 3.47Å; T202-K205 PolarHBondContact O-N 2.95Å; T202-K205 VanDerWaalsContact O-N 3.12Å; T202-I206 HydrophobicContact CG2-CD1 4.07Å; T202-I206 HydrophobicContact CG2-CG1 4.49Å; T202-I206 WeakPolarHBondContact O-CG1 3.47Å; T202-I206 PolarHBondContact O-N 3.34Å; T202-M227 HydrophobicContact CG2-CE 3.76Å; T202-M227 HydrophobicContact CG2-SD 4.34Å; T202-W414 HydrophobicContact CG2-CE3 3.9Å; T202-W414 HydrophobicContact CG2-CZ3 4Å; T202-L417 HydrophobicContact CG2-CD1 4.32Å
203A98.9Very high98.7Very high0 Ų025 Ų250%015%0.145CC..Hα-helixtrans-61.9-40.9175.900000111.9W141 L145 L170 F172 G199 V200 A207 M227 I229W141-A203 HydrophobicContact CH2-CB 3.73Å; W141-A203 HydrophobicContact CZ3-CB 4.3Å; L145-A203 HydrophobicContact CD2-CB 4.19Å; L170-A203 HydrophobicContact CD1-CB 3.73Å; F172-A203 HydrophobicContact CE2-CB 4.48Å; F172-A203 HydrophobicContact CZ-CB 3.79Å; G199-A203 WeakPolarHBondContact O-CB 3.06Å; G199-A203 PolarHBondContact O-N 2.84Å; V200-A203 PolarHBondContact O-N 2.94Å; A203-A207 PolarHBondContact O-N 3.46Å; A203-M227 HydrophobicContact CB-CE 4.1Å; A203-M227 HydrophobicContact CB-SD 4.05Å; A203-I229 HydrophobicContact CB-CD1 4.11Å
204N98.9Very high98.7Very high35 Ų3528.6 Ų28.619%0.18718%0.176CC..Hα-helixtrans-61.9-44171.3-170.773.5000111.8F129 W141 V200 W201 T202 I206 A207 T208F129-N204 HydrophobicContact CD1-CB 4.44Å; F129-N204 HydrophobicContact CE1-CB 3.55Å; F129-N204 HydrophobicContact CZ-CB 3.59Å; F129-N204 WeakPolarHBondContact CZ-OD1 3.43Å; W141-N204 HydrophobicContact CH2-CB 4.5Å; W141-N204 HydrophobicContact CZ2-CB 3.87Å; V200-N204 PolarHBondContact O-N 3.33Å; V200-N204 VanDerWaalsContact O-N 3.16Å; W201-N204 WeakPolarHBondContact O-CB 3.3Å; W201-N204 PolarHBondContact O-N 2.81Å; T202-N204 VanDerWaalsContact C-N 3.34Å; T202-N204 PolarHBondContact O-N 2.85Å; N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 3.1Å; N204-A207 PolarHBondContact O-N 3.43Å; N204-T208 WeakPolarHBondContact O-CB 3.45Å; N204-T208 WeakPolarHBondContact O-CG2 3.47Å; N204-T208 PolarHBondContact O-N 2.75Å; N204-T208 PolarHBondContact O-OG1 3.37Å
205K98.8Very high98.6Very high54 Ų5429.7 Ų29.724%0.23518%0.184CC..Hα-helixtrans-60.2-44.5-179.4-172.260.4171.3155.80111.3W201 T202 T208 D209 W414W201-K205 HydrophobicContact CE3-CB 4.05Å; W201-K205 HydrophobicContact CH2-CB 4.12Å; W201-K205 HydrophobicContact CH2-CD 3.82Å; W201-K205 HydrophobicContact CH2-CG 3.76Å; W201-K205 HydrophobicContact CZ2-CD 4.28Å; W201-K205 HydrophobicContact CZ3-CB 3.72Å; W201-K205 HydrophobicContact CZ3-CD 4.27Å; W201-K205 HydrophobicContact CZ3-CG 3.7Å; W201-K205 WeakPolarHBondContact O-CB 3.37Å; W201-K205 PolarHBondContact O-N 3.46Å; T202-K205 WeakPolarHBondContact O-CB 3.47Å; T202-K205 PolarHBondContact O-N 2.95Å; T202-K205 VanDerWaalsContact O-N 3.12Å; K205-T208 PolarHBondContact O-N 3.29Å; K205-T208 PolarHBondContact O-OG1 2.68Å; K205-D209 WeakPolarHBondContact CE-OD2 3.46Å; K205-D209 IonicContact NZ-OD1 2.85Å; K205-D209 PolarHBondContact NZ-OD1 2.86Å; K205-D209 IonicContact NZ-OD2 2.77Å; K205-D209 PolarHBondContact NZ-OD2 3.4Å; K205-D209 VanDerWaalsContact O-CB 3.22Å; K205-D209 WeakPolarHBondContact O-CB 3.43Å; K205-D209 PolarHBondContact O-N 3.13Å; K205-W414 HydrophobicContact CG-CD2 4.02Å; K205-W414 HydrophobicContact CG-CG 4.27Å; K205-W414 HydrophobicContact CG-CZ2 4.1Å
206I98.9Very high98.6Very high0 Ų029.7 Ų29.70%018%0.184CC..Hα-helixtrans-61-48177.1-67.4166.9000111.1F172 T202 N204 T208 Y210 L216 L220 I225 M227 W414F172-I206 HydrophobicContact CB-CG2 4.16Å; F172-I206 HydrophobicContact CD1-CB 4.12Å; F172-I206 HydrophobicContact CD1-CG2 3.4Å; F172-I206 VanDerWaalsContact CD1-CG2 3.4Å; F172-I206 HydrophobicContact CD2-CG2 4.37Å; F172-I206 HydrophobicContact CE1-CB 4.03Å; F172-I206 HydrophobicContact CE1-CG2 3.84Å; F172-I206 HydrophobicContact CE2-CD1 4.48Å; F172-I206 HydrophobicContact CG-CG2 3.72Å; F172-I206 HydrophobicContact CZ-CB 4.45Å; F172-I206 HydrophobicContact CZ-CG2 4.49Å; T202-I206 HydrophobicContact CG2-CD1 4.07Å; T202-I206 HydrophobicContact CG2-CG1 4.49Å; T202-I206 WeakPolarHBondContact O-CG1 3.47Å; T202-I206 PolarHBondContact O-N 3.34Å; N204-I206 VanDerWaalsContact C-N 3.34Å; N204-I206 PolarHBondContact O-N 3.1Å; I206-T208 VanDerWaalsContact C-N 3.34Å; I206-T208 PolarHBondContact O-N 2.94Å; I206-Y210 WeakPolarHBondContact O-CB 3.32Å; I206-Y210 PolarHBondContact O-N 3.02Å; I206-L216 HydrophobicContact CG2-CD1 4.46Å; I206-L220 HydrophobicContact CG2-CD1 3.83Å; I206-I225 HydrophobicContact CD1-CD1 4.22Å; I206-I225 HydrophobicContact CD1-CG2 4.42Å; I206-M227 HydrophobicContact CD1-SD 3.52Å; I206-M227 VanDerWaalsContact CD1-SD 3.52Å; I206-W414 HydrophobicContact CD1-CZ3 4.23Å; I206-W414 HydrophobicContact CG1-CH2 3.65Å; I206-W414 HydrophobicContact CG1-CZ3 3.71Å
207A98.7Very high98.6Very high4 Ų430.8 Ų30.83%0.03319%0.191CC..Hα-helixtrans-66-36.2-177.200000113.3L145 H149 V153 F172 A203 N204L145-A207 HydrophobicContact CD1-CB 3.72Å; L145-A207 HydrophobicContact CG-CB 4.38Å; H149-A207 PolarHBondContact CE1-O 3.41Å; H149-A207 VanDerWaalsContact CE1-O 3.28Å; H149-A207 PolarHBondContact ND1-O 2.68Å; V153-A207 HydrophobicContact CG2-CB 4.14Å; F172-A207 HydrophobicContact CE1-CB 4.26Å; A203-A207 PolarHBondContact O-N 3.46Å; N204-A207 PolarHBondContact O-N 3.43Å
208T98.4Very high98.6Very high60 Ų6032.2 Ų32.237%0.36820%0.2SC..Hα-helixtrans-86.1-30.7-175.952.50000113.4N204 K205 I206N204-T208 WeakPolarHBondContact O-CB 3.45Å; N204-T208 WeakPolarHBondContact O-CG2 3.47Å; N204-T208 PolarHBondContact O-N 2.75Å; N204-T208 PolarHBondContact O-OG1 3.37Å; K205-T208 PolarHBondContact O-N 3.29Å; K205-T208 PolarHBondContact O-OG1 2.68Å; I206-T208 VanDerWaalsContact C-N 3.34Å; I206-T208 PolarHBondContact O-N 2.94Å
209D98.6Very high98.6Very high24 Ų2432.2 Ų32.213%0.12820%0.2CC..Hα-helixtrans-85.8-15.8178.3-79.219.3000113.3K205 G211 T212 D213 L216K205-D209 WeakPolarHBondContact CE-OD2 3.46Å; K205-D209 IonicContact NZ-OD1 2.85Å; K205-D209 PolarHBondContact NZ-OD1 2.86Å; K205-D209 IonicContact NZ-OD2 2.77Å; K205-D209 PolarHBondContact NZ-OD2 3.4Å; K205-D209 VanDerWaalsContact O-CB 3.22Å; K205-D209 WeakPolarHBondContact O-CB 3.43Å; K205-D209 PolarHBondContact O-N 3.13Å; D209-G211 PolarHBondContact O-N 3.3Å; D209-T212 WeakPolarHBondContact CA-OG1 3.21Å; D209-T212 PolarHBondContact O-N 2.94Å; D209-T212 PolarHBondContact O-OG1 2.92Å; D209-D213 HydrophobicContact CB-CB 3.99Å; D209-D213 PolarHBondContact O-N 3.49Å; D209-L216 HydrophobicContact CB-CD2 3.55Å
210Y98.5Very high98.6Very high76 Ų7632.2 Ų32.230%0.29820%0.2SC..THydrogen-bonded Turntrans-61.6127.8175.3176.2-103.7000111.2L152 T174 I206 T212 T217 L220 N221L152-Y210 HydrophobicContact CD1-CD1 3.99Å; L152-Y210 HydrophobicContact CD1-CD2 4.41Å; L152-Y210 HydrophobicContact CD1-CE1 4.19Å; L152-Y210 HydrophobicContact CD1-CG 4.1Å; L152-Y210 HydrophobicContact CD2-CD1 3.7Å; L152-Y210 HydrophobicContact CD2-CG 3.78Å; L152-Y210 HydrophobicContact CG-CD1 4.38Å; T174-Y210 HydrophobicContact CG2-CE1 4.25Å; T174-Y210 HydrophobicContact CG2-CE2 3.55Å; T174-Y210 WeakPolarHBondContact CG2-OH 3.43Å; I206-Y210 WeakPolarHBondContact O-CB 3.32Å; I206-Y210 PolarHBondContact O-N 3.02Å; Y210-T212 VanDerWaalsContact C-N 3.28Å; Y210-T217 HydrophobicContact CD2-CG2 4.3Å; Y210-T217 HydrophobicContact CE2-CG2 3.96Å; Y210-L220 HydrophobicContact CD2-CB 3.77Å; Y210-L220 HydrophobicContact CD2-CD1 3.5Å; Y210-L220 HydrophobicContact CD2-CG 4.31Å; Y210-L220 HydrophobicContact CE2-CB 3.87Å; Y210-L220 HydrophobicContact CE2-CD1 4.37Å; Y210-L220 HydrophobicContact CG-CD1 3.97Å; Y210-N221 PolarHBondContact OH-OD1 2.8Å
211G98.1Very high98.5Very high58 Ų5836.3 Ų36.360%0.59822%0.222SC*.THydrogen-bonded Turntrans84.4-7.3-174.200000114.6D209 T217D209-G211 PolarHBondContact O-N 3.3Å; G211-T217 WeakPolarHBondContact CA-OG1 3.23Å; G211-T217 PolarHBondContact N-OG1 3.31Å
212T98.1Very high98.5Very high111 Ų11137.8 Ų37.868%0.68124%0.235SC*.THydrogen-bonded Turntrans-116.4-46.3176.961.50000112.2D209 Y210 A214D209-T212 WeakPolarHBondContact CA-OG1 3.21Å; D209-T212 PolarHBondContact O-N 2.94Å; D209-T212 PolarHBondContact O-OG1 2.92Å; Y210-T212 VanDerWaalsContact C-N 3.28Å; T212-A214 PolarHBondContact O-N 3.25Å
213D98.5Very high98.5Very high43 Ų4338 Ų3823%0.2324%0.236CC..SBendtrans-84111.3170.9-177.2-91.3000110.1D209 S215 L216 T217 K418D209-D213 HydrophobicContact CB-CB 3.99Å; D209-D213 PolarHBondContact O-N 3.49Å; D213-S215 PolarHBondContact O-N 2.83Å; D213-S215 PolarHBondContact OD1-N 2.96Å; D213-L216 HydrophobicContact CB-CB 4.18Å; D213-L216 PolarHBondContact O-N 2.92Å; D213-L216 WeakPolarHBondContact OD1-CB 3.24Å; D213-L216 PolarHBondContact OD1-N 2.86Å; D213-T217 VanDerWaalsContact O-CB 3.23Å; D213-T217 WeakPolarHBondContact O-CB 3.11Å; D213-T217 PolarHBondContact O-N 2.85Å; D213-T217 PolarHBondContact O-OG1 2.83Å; D213-K418 WeakPolarHBondContact OD1-CE 3.08Å; D213-K418 IonicContact OD1-NZ 2.69Å; D213-K418 PolarHBondContact OD1-NZ 3.25Å; D213-K418 IonicContact OD2-NZ 3.71Å; D213-K418 PolarHBondContact OD2-NZ 2.94Å
214A98.4Very high98.5Very high82 Ų8238 Ų3868%0.67824%0.236SC*.Hα-helixtrans-59.1-35.5-174.800000112.9T212 S218T212-A214 PolarHBondContact O-N 3.25Å; A214-S218 WeakPolarHBondContact O-CB 3.29Å; A214-S218 PolarHBondContact O-N 3.46Å; A214-S218 PolarHBondContact O-OG 2.97Å
215S97.3Very high98.5Very high27 Ų2736.3 Ų36.319%0.18923%0.227CC..Hα-helixtrans-73.5-51.2-176.7-1720000111.8D213 T217 S218 V219 K418 E422D213-S215 PolarHBondContact O-N 2.83Å; D213-S215 PolarHBondContact OD1-N 2.96Å; S215-T217 PolarHBondContact O-N 2.84Å; S215-S218 PolarHBondContact O-N 3.36Å; S215-S218 VanDerWaalsContact O-N 3.12Å; S215-S218 PolarHBondContact O-OG 3.11Å; S215-V219 PolarHBondContact O-N 3.17Å; S215-K418 VanDerWaalsContact CB-CE 3.5Å; S215-E422 VanDerWaalsContact CB-OE1 3.29Å; S215-E422 WeakPolarHBondContact CB-OE1 3.36Å; S215-E422 WeakPolarHBondContact OG-CG 3.5Å; S215-E422 PolarHBondContact OG-OE1 3.26Å
216L98.5Very high98.5Very high0 Ų034.5 Ų34.50%022%0.219CC..Hα-helixtrans-57.1-42.4172.8174.663.3000111.1I206 D209 D213 S218 V219 L220 W414I206-L216 HydrophobicContact CG2-CD1 4.46Å; D209-L216 HydrophobicContact CB-CD2 3.55Å; D213-L216 HydrophobicContact CB-CB 4.18Å; D213-L216 PolarHBondContact O-N 2.92Å; D213-L216 WeakPolarHBondContact OD1-CB 3.24Å; D213-L216 PolarHBondContact OD1-N 2.86Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.43Å; L216-V219 WeakPolarHBondContact O-CB 3.39Å; L216-V219 PolarHBondContact O-N 2.6Å; L216-V219 VanDerWaalsContact O-N 3.14Å; L216-L220 HydrophobicContact CD1-CD1 4.11Å; L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 4.16Å; L216-L220 PolarHBondContact O-N 2.81Å; L216-W414 HydrophobicContact CD1-CH2 3.86Å; L216-W414 HydrophobicContact CD1-CZ2 4.36Å; L216-W414 HydrophobicContact CD2-CH2 4.19Å; L216-W414 HydrophobicContact CD2-CZ2 4.13Å
217T98.8Very high98.5Very high24 Ų2434.5 Ų34.515%0.14722%0.219CC..Hα-helixtrans-58.4-44.1177.9-58.90000111Y210 G211 D213 S215 L220 N221Y210-T217 HydrophobicContact CD2-CG2 4.3Å; Y210-T217 HydrophobicContact CE2-CG2 3.96Å; G211-T217 WeakPolarHBondContact CA-OG1 3.23Å; G211-T217 PolarHBondContact N-OG1 3.31Å; D213-T217 VanDerWaalsContact O-CB 3.23Å; D213-T217 WeakPolarHBondContact O-CB 3.11Å; D213-T217 PolarHBondContact O-N 2.85Å; D213-T217 PolarHBondContact O-OG1 2.83Å; S215-T217 PolarHBondContact O-N 2.84Å; T217-L220 PolarHBondContact O-N 2.83Å; T217-N221 WeakPolarHBondContact O-CB 3.47Å; T217-N221 PolarHBondContact O-N 3.34Å; T217-N221 PolarHBondContact O-ND2 3.21Å; T217-N221 PolarHBondContact O-OD1 3.01Å
218S98.4Very high98.5Very high38 Ų3834.4 Ų34.427%0.26622%0.218SC..Hα-helixtrans-66.4-36.3176.268.90000113.2A214 S215 L216 N221 T222 R425A214-S218 WeakPolarHBondContact O-CB 3.29Å; A214-S218 PolarHBondContact O-N 3.46Å; A214-S218 PolarHBondContact O-OG 2.97Å; S215-S218 PolarHBondContact O-N 3.36Å; S215-S218 VanDerWaalsContact O-N 3.12Å; S215-S218 PolarHBondContact O-OG 3.11Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.43Å; S218-N221 PolarHBondContact O-N 3.12Å; S218-T222 PolarHBondContact O-N 3.39Å; S218-T222 PolarHBondContact O-OG1 2.89Å; S218-R425 PolarHBondContact OG-NH1 3.36Å
219V98.7Very high98.5Very high1 Ų131.6 Ų31.61%0.00620%0.2CC..Hα-helixtrans-59.6-52.8171.7171.50000110I182 S215 L216 N221 T222 M223 I225 M421 E422 R425I182-V219 HydrophobicContact CD1-CG1 4.24Å; S215-V219 PolarHBondContact O-N 3.17Å; L216-V219 WeakPolarHBondContact O-CB 3.39Å; L216-V219 PolarHBondContact O-N 2.6Å; L216-V219 VanDerWaalsContact O-N 3.14Å; V219-N221 PolarHBondContact O-N 3.13Å; V219-T222 PolarHBondContact O-N 3.23Å; V219-M223 PolarHBondContact O-N 2.68Å; V219-I225 HydrophobicContact CG1-CD1 4.48Å; V219-M421 HydrophobicContact CG1-CB 4.12Å; V219-M421 HydrophobicContact CG2-CB 4.3Å; V219-E422 HydrophobicContact CG2-CG 4.43Å; V219-R425 HydrophobicContact CG2-CB 4.45Å
220L98.7Very high98.5Very high0 Ų030.5 Ų30.50%020%0.195CC..Hα-helixtrans-70.2-16.5-178.8-78.1172.7000114.2L152 F172 T174 R179 I206 Y210 L216 T217 I225L152-L220 HydrophobicContact CD1-CD1 4.24Å; F172-L220 HydrophobicContact CB-CD2 3.77Å; T174-L220 HydrophobicContact CG2-CB 4.29Å; T174-L220 VanDerWaalsContact CG2-O 3.24Å; T174-L220 WeakPolarHBondContact CG2-O 3.49Å; T174-L220 PolarHBondContact OG1-O 3.23Å; R179-L220 PolarHBondContact NH2-O 2.7Å; I206-L220 HydrophobicContact CG2-CD1 3.83Å; Y210-L220 HydrophobicContact CD2-CB 3.77Å; Y210-L220 HydrophobicContact CD2-CD1 3.5Å; Y210-L220 HydrophobicContact CD2-CG 4.31Å; Y210-L220 HydrophobicContact CE2-CB 3.87Å; Y210-L220 HydrophobicContact CE2-CD1 4.37Å; Y210-L220 HydrophobicContact CG-CD1 3.97Å; L216-L220 HydrophobicContact CD1-CD1 4.11Å; L216-L220 HydrophobicContact CD1-CG 4.28Å; L216-L220 HydrophobicContact CG-CD1 4.16Å; L216-L220 PolarHBondContact O-N 2.81Å; T217-L220 PolarHBondContact O-N 2.83Å; L220-I225 HydrophobicContact CD2-CD1 3.87Å; L220-I225 HydrophobicContact CD2-CG1 4.06Å; L220-I225 HydrophobicContact CG-CD1 4.38Å
221N98.3Very high98.6Very high88 Ų8827 Ų2747%0.47118%0.181SC..Hα-helixtrans-80.7-18.5170.7-74-13.4000112.8R179 Y210 T217 S218 V219R179-N221 PolarHBondContact NH2-O 3.12Å; Y210-N221 PolarHBondContact OH-OD1 2.8Å; T217-N221 WeakPolarHBondContact O-CB 3.47Å; T217-N221 PolarHBondContact O-N 3.34Å; T217-N221 PolarHBondContact O-ND2 3.21Å; T217-N221 PolarHBondContact O-OD1 3.01Å; S218-N221 PolarHBondContact O-N 3.12Å; V219-N221 PolarHBondContact O-N 3.13Å
222T98.2Very high98.6Very high68 Ų6824.3 Ų24.342%0.41715%0.153SC..Hα-helixtrans-106.2-40179.5-57.10000112.4R179 S218 V219 R425R179-T222 PolarHBondContact NE-O 2.79Å; R179-T222 VanDerWaalsContact NE-O 3.17Å; R179-T222 VanDerWaalsContact NH2-N 3.17Å; R179-T222 PolarHBondContact NH2-O 2.89Å; S218-T222 PolarHBondContact O-N 3.39Å; S218-T222 PolarHBondContact O-OG1 2.89Å; V219-T222 PolarHBondContact O-N 3.23Å; T222-R425 HydrophobicContact CG2-CG 4.06Å
223M98.6Very high98.6Very high4 Ų419 Ų192%0.0212%0.121CC..  trans-124.3157.4-170.6-54.4-17476.800112.9R179 P180 I182 V219 K310 V424 R425R179-M223 PolarHBondContact NH2-O 2.92Å; R179-M223 VanDerWaalsContact NH2-O 3.1Å; P180-M223 HydrophobicContact CB-CE 3.93Å; P180-M223 HydrophobicContact CB-CG 4.38Å; P180-M223 CarbonylContact O-C 3.56Å; P180-M223 WeakPolarHBondContact O-CA 3.47Å; P180-M223 VanDerWaalsContact O-CB 3.3Å; P180-M223 WeakPolarHBondContact O-CB 3.44Å; I182-M223 HydrophobicContact CD1-CB 4.46Å; I182-M223 HydrophobicContact CD1-CE 3.96Å; I182-M223 HydrophobicContact CD1-SD 3.81Å; I182-M223 HydrophobicContact CG1-CE 3.78Å; I182-M223 HydrophobicContact CG1-SD 4.31Å; V219-M223 PolarHBondContact O-N 2.68Å; M223-K310 HydrophobicContact CE-CB 3.99Å; M223-K310 HydrophobicContact CE-CG 4.21Å; M223-V424 HydrophobicContact CE-CG1 3.58Å; M223-V424 HydrophobicContact SD-CG1 4.09Å; M223-R425 HydrophobicContact SD-CB 4.07Å
224D98.8Very high98.7Very high1 Ų117 Ų171%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-93.7149.9166.5-71.5-9.8000110K171 F172 S173 R179 P180 A181 I182 Y226K171-D224 WeakPolarHBondContact CE-OD2 3.27Å; K171-D224 IonicContact NZ-OD2 3.74Å; K171-D224 PolarHBondContact NZ-OD2 2.88Å; F172-D224 WeakPolarHBondContact O-CA 3.31Å; S173-D224 WeakPolarHBondContact CB-OD1 3.26Å; S173-D224 PolarHBondContact OG-OD1 3.22Å; S173-D224 PolarHBondContact OG-OD2 2.98Å; R179-D224 IonicContact CZ-OD1 3.61Å; R179-D224 IonicContact NE-OD1 3.38Å; R179-D224 IonicContact NH1-OD1 2.73Å; P180-D224 PolarHBondContact O-N 2.84Å; A181-D224 CarbonylContact C-O 3.58Å; A181-D224 VanDerWaalsContact CA-O 3.25Å; A181-D224 WeakPolarHBondContact CA-O 3.5Å; A181-D224 HydrophobicContact CB-CB 4.23Å; I182-D224 PolarHBondContact N-O 3.4Å; D224-Y226 HydrophobicContact CB-CD2 4.3Å; D224-Y226 HydrophobicContact CB-CE2 3.81Å
225I98.9Very high98.7Very high0 Ų013 Ų130%08%0.078CC..EExtended strand (participates in β ladder)trans-118129.6171.4-55.4172.5000108.7K171 F172 I182 I206 V219 L220 M227 M421K171-I225 CarbonylContact C-O 3.59Å; K171-I225 WeakPolarHBondContact CA-O 3.34Å; F172-I225 HydrophobicContact CB-CB 4.25Å; F172-I225 HydrophobicContact CD2-CB 4.26Å; F172-I225 HydrophobicContact CD2-CG2 4.39Å; F172-I225 PolarHBondContact N-O 3.26Å; F172-I225 PolarHBondContact O-N 3.49Å; I182-I225 HydrophobicContact CB-CG1 4.48Å; I182-I225 HydrophobicContact CD1-CG1 4.41Å; I182-I225 WeakPolarHBondContact O-CA 3.49Å; I206-I225 HydrophobicContact CD1-CD1 4.22Å; I206-I225 HydrophobicContact CD1-CG2 4.42Å; V219-I225 HydrophobicContact CG1-CD1 4.48Å; L220-I225 HydrophobicContact CD2-CD1 3.87Å; L220-I225 HydrophobicContact CD2-CG1 4.06Å; L220-I225 HydrophobicContact CG-CD1 4.38Å; I225-M227 HydrophobicContact CG2-CG 3.97Å; I225-M421 HydrophobicContact CD1-SD 3.61Å; I225-M421 HydrophobicContact CG1-SD 4.37Å
226Y98.9Very high98.8Very high16 Ų1611.9 Ų11.96%0.0637%0.069CC..EExtended strand (participates in β ladder)trans-113.9118.5175.7-73.8-109.4000108.9L156 V169 L170 K171 A181 I182 M184 D224 L302 F309L156-Y226 HydrophobicContact CD1-CD1 4.36Å; L156-Y226 HydrophobicContact CD1-CE1 3.82Å; V169-Y226 HydrophobicContact CG1-CD1 3.79Å; V169-Y226 HydrophobicContact CG1-CG 4.3Å; L170-Y226 CarbonylContact O-C 3.55Å; L170-Y226 WeakPolarHBondContact O-CA 3.49Å; K171-Y226 HydrophobicContact CB-CD1 4.33Å; K171-Y226 HydrophobicContact CB-CE1 4.2Å; K171-Y226 HydrophobicContact CD-CE1 4.04Å; K171-Y226 HydrophobicContact CD-CE2 4.23Å; K171-Y226 WeakPolarHBondContact CD-OH 3.05Å; K171-Y226 HydrophobicContact CG-CE1 4.18Å; K171-Y226 HydrophobicContact CG-CE2 4.17Å; K171-Y226 PolarHBondContact NZ-OH 2.61Å; A181-Y226 HydrophobicContact CB-CD2 4.05Å; A181-Y226 HydrophobicContact CB-CE2 4.02Å; I182-Y226 PolarHBondContact O-N 2.9Å; M184-Y226 PolarHBondContact N-O 2.95Å; D224-Y226 HydrophobicContact CB-CD2 4.3Å; D224-Y226 HydrophobicContact CB-CE2 3.81Å; Y226-L302 HydrophobicContact CD1-CD2 4.3Å; Y226-F309 HydrophobicContact CD1-CZ 4.34Å; Y226-F309 AromaticContact CD2-CE1 3.82Å; Y226-F309 HydrophobicContact CD2-CE1 3.82Å; Y226-F309 AromaticContact CD2-CZ 3.87Å; Y226-F309 HydrophobicContact CD2-CZ 3.87Å; Y226-F309 HydrophobicContact CE2-CZ 4.33Å; Y226-F309 HydrophobicContact CG-CE1 4.06Å; Y226-F309 AromaticContact CG-CZ 3.88Å; Y226-F309 HydrophobicContact CG-CZ 3.88Å
227M98.9Very high98.8Very high0 Ų013.4 Ų13.40%08%0.078CC..EExtended strand (participates in β ladder)trans-117.4118.8-179-67.7-176.169.200112.4V169 L170 F172 M184 L186 T202 A203 I206 I225V169-M227 CarbonylContact C-O 3.59Å; V169-M227 WeakPolarHBondContact CA-O 3.41Å; L170-M227 HydrophobicContact CB-CB 4.48Å; L170-M227 PolarHBondContact N-O 3.25Å; L170-M227 PolarHBondContact O-N 2.84Å; F172-M227 HydrophobicContact CD2-CG 4.48Å; F172-M227 HydrophobicContact CD2-SD 4.41Å; F172-M227 HydrophobicContact CE2-CB 4.24Å; F172-M227 HydrophobicContact CE2-CG 3.96Å; F172-M227 HydrophobicContact CE2-SD 3.6Å; F172-M227 HydrophobicContact CZ-SD 4.19Å; M184-M227 HydrophobicContact CB-CG 4.23Å; M184-M227 CarbonylContact O-C 3.59Å; M184-M227 VanDerWaalsContact O-CA 3.26Å; M184-M227 WeakPolarHBondContact O-CA 3.34Å; M184-M227 HydrophobicContact SD-CE 3.85Å; L186-M227 HydrophobicContact CD1-CE 4.32Å; T202-M227 HydrophobicContact CG2-CE 3.76Å; T202-M227 HydrophobicContact CG2-SD 4.34Å; A203-M227 HydrophobicContact CB-CE 4.1Å; A203-M227 HydrophobicContact CB-SD 4.05Å; I206-M227 HydrophobicContact CD1-SD 3.52Å; I206-M227 VanDerWaalsContact CD1-SD 3.52Å; I225-M227 HydrophobicContact CG2-CG 3.97Å
228L98.9Very high98.8Very high1 Ų114 Ų141%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-100.996.6169.6179.957.6000109.4I158 M167 Y168 V169 W183 M184 D185 L186 V230 A231 I299I158-L228 HydrophobicContact CD1-CD2 4.34Å; M167-L228 HydrophobicContact CE-CD1 4.49Å; M167-L228 HydrophobicContact CE-CD2 3.88Å; Y168-L228 VanDerWaalsContact O-CD1 3.25Å; Y168-L228 WeakPolarHBondContact O-CD1 3.38Å; V169-L228 HydrophobicContact CG2-CB 4.11Å; V169-L228 HydrophobicContact CG2-CD1 4.15Å; W183-L228 HydrophobicContact CH2-CB 3.77Å; W183-L228 HydrophobicContact CH2-CD2 3.96Å; W183-L228 HydrophobicContact CZ2-CB 3.82Å; W183-L228 HydrophobicContact CZ2-CD2 3.84Å; M184-L228 PolarHBondContact O-N 3.25Å; D185-L228 WeakPolarHBondContact CA-O 3.26Å; D185-L228 HydrophobicContact CB-CB 4.11Å; D185-L228 HydrophobicContact CB-CD2 4.46Å; L186-L228 PolarHBondContact N-O 3.26Å; L228-V230 PolarHBondContact O-N 2.75Å; L228-A231 HydrophobicContact CD2-CB 3.72Å; L228-A231 HydrophobicContact CG-CB 4.03Å; L228-I299 HydrophobicContact CD2-CD1 3.68Å; L228-I299 HydrophobicContact CD2-CG1 3.77Å
229I98.9Very high98.8Very high1 Ų112.2 Ų12.21%0.0057%0.067CC..SBendtrans-70.3-33.4-172.8-62.7176000112.4I138 W141 M142 L170 L186 Q196 V200 A203I138-I229 HydrophobicContact CG2-CG2 4.04Å; W141-I229 HydrophobicContact CZ3-CD1 3.8Å; M142-I229 HydrophobicContact CG-CD1 4.28Å; M142-I229 HydrophobicContact SD-CD1 4.33Å; L170-I229 HydrophobicContact CD1-CD1 3.94Å; L186-I229 CarbonylContact C-O 3.52Å; L186-I229 CarbonylContact O-C 3.48Å; Q196-I229 WeakPolarHBondContact CG-O 3.42Å; V200-I229 HydrophobicContact CG2-CD1 4.36Å; V200-I229 HydrophobicContact CG2-CG2 3.75Å; A203-I229 HydrophobicContact CB-CD1 4.11Å
230V98.9Very high98.8Very high2 Ų214 Ų141%0.0128%0.075CC..  trans-128.989.1179.6-168.20000108.9L135 I138 Q196 L228 N232 P233 Y236L135-V230 HydrophobicContact CD1-CB 4.08Å; L135-V230 HydrophobicContact CD1-CG1 3.93Å; L135-V230 HydrophobicContact CD1-CG2 3.93Å; I138-V230 HydrophobicContact CD1-CG2 4.18Å; I138-V230 HydrophobicContact CG2-CG2 4.35Å; Q196-V230 HydrophobicContact CG-CG2 4.18Å; L228-V230 PolarHBondContact O-N 2.75Å; V230-N232 VanDerWaalsContact C-N 3.32Å; V230-N232 PolarHBondContact O-N 2.99Å; V230-P233 HydrophobicContact CG1-CB 4.21Å; V230-Y236 HydrophobicContact CG1-CD1 4.14Å; V230-Y236 HydrophobicContact CG1-CG 4.03Å
231A98.9Very high98.7Very high2 Ų216.1 Ų16.12%0.0179%0.088CC..SBendtrans-72.9-22.8-178.100000113.8M167 D185 L186 I188 L228M167-A231 WeakPolarHBondContact CE-O 3.44Å; D185-A231 HydrophobicContact CB-CB 4.38Å; L186-A231 WeakPolarHBondContact O-CB 3.31Å; L186-A231 PolarHBondContact O-N 2.72Å; I188-A231 HydrophobicContact CB-CB 3.96Å; I188-A231 HydrophobicContact CG1-CB 4.2Å; L228-A231 HydrophobicContact CD2-CB 3.72Å; L228-A231 HydrophobicContact CG-CB 4.03Å
232N98.9Very high98.6Very high1 Ų113.9 Ų13.91%0.0058%0.076CC..  trans-125.176.1175.3177.97.2000110.8G187 I188 V230 D234 G235 Y236 R247 K248G187-N232 PolarHBondContact O-N 3.1Å; I188-N232 WeakPolarHBondContact O-CB 3.44Å; I188-N232 PolarHBondContact O-ND2 3.13Å; V230-N232 VanDerWaalsContact C-N 3.32Å; V230-N232 PolarHBondContact O-N 2.99Å; N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact O-N 2.88Å; N232-G235 PolarHBondContact OD1-N 3.02Å; N232-Y236 WeakPolarHBondContact O-CB 3.31Å; N232-Y236 PolarHBondContact O-N 3.13Å; N232-R247 PolarHBondContact ND2-O 2.68Å; N232-K248 VanDerWaalsContact ND2-C 3.35Å; N232-K248 PolarHBondContact ND2-O 2.68Å
233P98.9Very high98.6Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-66.8-30.5-173.427.4-35.7000113.2L135 R165 M167 V230 Y236 V237L135-P233 HydrophobicContact CD1-CB 4.23Å; L135-P233 HydrophobicContact CD2-CB 3.88Å; R165-P233 HydrophobicContact CB-CB 4.33Å; R165-P233 HydrophobicContact CB-CG 4.33Å; M167-P233 HydrophobicContact CG-CG 4.26Å; V230-P233 HydrophobicContact CG1-CB 4.21Å; P233-Y236 PolarHBondContact O-N 3.06Å; P233-V237 WeakPolarHBondContact O-CG2 3.25Å; P233-V237 PolarHBondContact O-N 2.67Å
234D98.9Very high98.6Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-71.8-48.1179.6-62.2-11.9000111.5S161 Y162 E163 R165 N232 Y236 V237 F238 R250S161-D234 VanDerWaalsContact CB-CG 3.48Å; S161-D234 VanDerWaalsContact CB-OD1 3.29Å; S161-D234 WeakPolarHBondContact CB-OD1 3.43Å; S161-D234 VanDerWaalsContact CB-OD2 3.27Å; S161-D234 WeakPolarHBondContact CB-OD2 3.36Å; S161-D234 PolarHBondContact OG-OD1 3.42Å; S161-D234 PolarHBondContact OG-OD2 3.38Å; S161-D234 VanDerWaalsContact OG-OD2 3.12Å; Y162-D234 PolarHBondContact N-OD2 2.86Å; E163-D234 HydrophobicContact CB-CB 4.5Å; E163-D234 WeakPolarHBondContact CB-OD2 3.44Å; E163-D234 HydrophobicContact CG-CB 4.28Å; E163-D234 PolarHBondContact N-OD2 2.76Å; R165-D234 IonicContact CZ-OD1 2.66Å; R165-D234 IonicContact NH1-OD1 3.68Å; R165-D234 PolarHBondContact NH1-OD1 3.11Å; N232-D234 VanDerWaalsContact C-N 3.31Å; N232-D234 PolarHBondContact O-N 2.88Å; D234-Y236 VanDerWaalsContact C-N 3.26Å; D234-Y236 PolarHBondContact O-N 3.05Å; D234-V237 PolarHBondContact O-N 2.78Å; D234-F238 WeakPolarHBondContact O-CB 3.35Å; D234-F238 PolarHBondContact O-N 3.02Å; D234-R250 HydrophobicContact CB-CB 3.8Å; D234-R250 HydrophobicContact CB-CG 3.7Å
235G98.9Very high98.5Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-59.2-41.3172.300000111S190 N232 F238 S239S190-G235 VanDerWaalsContact CB-O 3.25Å; S190-G235 WeakPolarHBondContact CB-O 3.29Å; N232-G235 PolarHBondContact OD1-N 3.02Å; G235-F238 WeakPolarHBondContact O-CB 3.2Å; G235-F238 PolarHBondContact O-N 3.01Å; G235-S239 PolarHBondContact O-N 3.49Å
236Y98.9Very high98.5Very high2 Ų213.4 Ų13.41%0.0087%0.067CC..Hα-helixtrans-61.3-48.6-179.7-168.3-115.8000111.2H133 L135 I138 S190 W193 Q196 V230 N232 P233 D234 F238 S239 H240H133-Y236 WeakPolarHBondContact O-CE1 3.47Å; H133-Y236 PolarHBondContact O-OH 3.24Å; L135-Y236 HydrophobicContact CB-CD1 4.22Å; L135-Y236 HydrophobicContact CD1-CD1 4.31Å; I138-Y236 HydrophobicContact CD1-CE1 3.9Å; S190-Y236 VanDerWaalsContact CB-N 3.27Å; W193-Y236 AromaticContact CD1-CE2 3.54Å; W193-Y236 HydrophobicContact CG-CE2 4.14Å; W193-Y236 AromaticContact NE1-CD2 3.98Å; W193-Y236 AromaticContact NE1-CE2 3.64Å; Q196-Y236 HydrophobicContact CB-CE2 4.32Å; Q196-Y236 HydrophobicContact CG-CD2 4.18Å; Q196-Y236 HydrophobicContact CG-CE2 3.87Å; Q196-Y236 VanDerWaalsContact NE2-CD2 3.28Å; V230-Y236 HydrophobicContact CG1-CD1 4.14Å; V230-Y236 HydrophobicContact CG1-CG 4.03Å; N232-Y236 WeakPolarHBondContact O-CB 3.31Å; N232-Y236 PolarHBondContact O-N 3.13Å; P233-Y236 PolarHBondContact O-N 3.06Å; D234-Y236 VanDerWaalsContact C-N 3.26Å; D234-Y236 PolarHBondContact O-N 3.05Å; Y236-F238 VanDerWaalsContact C-N 3.32Å; Y236-F238 PolarHBondContact O-N 3.5Å; Y236-S239 PolarHBondContact O-N 3.31Å; Y236-S239 VanDerWaalsContact O-N 3.15Å; Y236-S239 PolarHBondContact O-OG 3.33Å; Y236-H240 AromaticContact CE1-NE2 3.54Å; Y236-H240 AromaticContact CE2-NE2 3.77Å; Y236-H240 AromaticContact CZ-NE2 3.28Å; Y236-H240 VanDerWaalsContact CZ-NE2 3.28Å; Y236-H240 PolarHBondContact O-CD2 3.23Å; Y236-H240 VanDerWaalsContact O-CD2 3.3Å; Y236-H240 PolarHBondContact O-N 3.12Å; Y236-H240 PolarHBondContact OH-NE2 2.91Å
237V98.9Very high98.5Very high32 Ų3213.5 Ų13.519%0.1947%0.068CC..Hα-helixtrans-59.6-43.8174.3171.30000111.3L135 P233 D234 S239 H240 T241L135-V237 HydrophobicContact CB-CG2 3.83Å; L135-V237 HydrophobicContact CD2-CG2 3.61Å; L135-V237 HydrophobicContact CG-CG2 4.37Å; P233-V237 WeakPolarHBondContact O-CG2 3.25Å; P233-V237 PolarHBondContact O-N 2.67Å; D234-V237 PolarHBondContact O-N 2.78Å; V237-S239 PolarHBondContact O-N 3.38Å; V237-H240 PolarHBondContact O-N 2.94Å; V237-T241 HydrophobicContact CG1-CG2 4.4Å; V237-T241 PolarHBondContact O-N 3.36Å; V237-T241 VanDerWaalsContact O-N 3.09Å; V237-T241 PolarHBondContact O-OG1 2.98Å; V237-T241 VanDerWaalsContact O-OG1 3.08Å
238F98.8Very high98.5Very high36 Ų3613.7 Ų13.716%0.1587%0.069CC..Hα-helixtrans-60.4-34.5178.2-166.8-100000112.5D234 G235 Y236 H240 T241 N242 D243 W246 R250D234-F238 WeakPolarHBondContact O-CB 3.35Å; D234-F238 PolarHBondContact O-N 3.02Å; G235-F238 WeakPolarHBondContact O-CB 3.2Å; G235-F238 PolarHBondContact O-N 3.01Å; Y236-F238 VanDerWaalsContact C-N 3.32Å; Y236-F238 PolarHBondContact O-N 3.5Å; F238-H240 VanDerWaalsContact C-N 3.31Å; F238-H240 PolarHBondContact O-N 3.2Å; F238-T241 PolarHBondContact O-N 3.48Å; F238-N242 HydrophobicContact CD1-CB 4.16Å; F238-N242 HydrophobicContact CD2-CB 3.64Å; F238-N242 HydrophobicContact CE1-CB 3.97Å; F238-N242 HydrophobicContact CE2-CB 3.38Å; F238-N242 HydrophobicContact CG-CB 4.03Å; F238-N242 HydrophobicContact CZ-CB 3.57Å; F238-N242 WeakPolarHBondContact O-CA 3.49Å; F238-N242 WeakPolarHBondContact O-CB 3.32Å; F238-N242 PolarHBondContact O-N 2.98Å; F238-D243 HydrophobicContact CD1-CB 4.14Å; F238-D243 HydrophobicContact CE1-CB 3.6Å; F238-D243 HydrophobicContact CZ-CB 4.43Å; F238-D243 PolarHBondContact O-N 3.37Å; F238-W246 HydrophobicContact CD1-CB 3.65Å; F238-W246 AromaticContact CD1-CD1 3.9Å; F238-W246 AromaticContact CD1-CD2 3.62Å; F238-W246 HydrophobicContact CD1-CD2 3.62Å; F238-W246 HydrophobicContact CD1-CE3 4.04Å; F238-W246 AromaticContact CD1-CG 3.43Å; F238-W246 HydrophobicContact CD1-CG 3.43Å; F238-W246 VanDerWaalsContact CD1-CG 3.43Å; F238-W246 HydrophobicContact CE1-CB 4.16Å; F238-W246 AromaticContact CE1-CD2 3.65Å; F238-W246 HydrophobicContact CE1-CD2 3.65Å; F238-W246 AromaticContact CE1-CE3 3.57Å; F238-W246 HydrophobicContact CE1-CE3 3.57Å; F238-W246 AromaticContact CE1-CG 3.92Å; F238-W246 HydrophobicContact CE1-CG 3.92Å; F238-W246 HydrophobicContact CE1-CZ3 4.23Å; F238-W246 HydrophobicContact CG-CG 4.45Å; F238-R250 HydrophobicContact CB-CG 4.44Å
239S98.6Very high98.5Very high2 Ų213.7 Ų13.71%0.0147%0.068CC..Hα-helixtrans-69.7-24.817576.40000114.3W193 G235 Y236 V237 D243 R244W193-S239 PolarHBondContact NE1-OG 2.87Å; G235-S239 PolarHBondContact O-N 3.49Å; Y236-S239 PolarHBondContact O-N 3.31Å; Y236-S239 VanDerWaalsContact O-N 3.15Å; Y236-S239 PolarHBondContact O-OG 3.33Å; V237-S239 PolarHBondContact O-N 3.38Å; S239-D243 VanDerWaalsContact CA-O 3.29Å; S239-D243 WeakPolarHBondContact CA-O 3.28Å; S239-R244 WeakPolarHBondContact O-CA 3.47Å
240H98.1Very high98.5Very high39 Ų3915.6 Ų15.618%0.1818%0.076CC..Hα-helixtrans-84.2-26.4174.2-82.5-107.5000113.1H133 W193 Y236 V237 F238H133-H240 PolarHBondContact O-CE1 2.8Å; W193-H240 AromaticContact CE2-CD2 3.77Å; W193-H240 AromaticContact CE2-NE2 3.57Å; W193-H240 AromaticContact CH2-CD2 3.93Å; W193-H240 AromaticContact CH2-CE1 3.69Å; W193-H240 AromaticContact CH2-ND1 3.92Å; W193-H240 AromaticContact CH2-NE2 3.73Å; W193-H240 AromaticContact CZ2-CD2 3.26Å; W193-H240 WeakPolarHBondContact CZ2-CD2 3.26Å; W193-H240 AromaticContact CZ2-CE1 3.76Å; W193-H240 AromaticContact CZ2-CG 3.71Å; W193-H240 AromaticContact CZ2-NE2 3.31Å; W193-H240 VanDerWaalsContact CZ2-NE2 3.31Å; W193-H240 WeakPolarHBondContact CZ2-NE2 3.46Å; Y236-H240 AromaticContact CE1-NE2 3.54Å; Y236-H240 AromaticContact CE2-NE2 3.77Å; Y236-H240 AromaticContact CZ-NE2 3.28Å; Y236-H240 VanDerWaalsContact CZ-NE2 3.28Å; Y236-H240 PolarHBondContact O-CD2 3.23Å; Y236-H240 VanDerWaalsContact O-CD2 3.3Å; Y236-H240 PolarHBondContact O-N 3.12Å; Y236-H240 PolarHBondContact OH-NE2 2.91Å; V237-H240 PolarHBondContact O-N 2.94Å; F238-H240 VanDerWaalsContact C-N 3.31Å; F238-H240 PolarHBondContact O-N 3.2Å
241T96.9Very high98.5Very high44 Ų4416 Ų1627%0.278%0.078SC..Hα-helixtrans-115.4-20-168.860.60000115.5V237 F238V237-T241 HydrophobicContact CG1-CG2 4.4Å; V237-T241 PolarHBondContact O-N 3.36Å; V237-T241 VanDerWaalsContact O-N 3.09Å; V237-T241 PolarHBondContact O-OG1 2.98Å; V237-T241 VanDerWaalsContact O-OG1 3.08Å; F238-T241 PolarHBondContact O-N 3.48Å
242N97.2Very high98.4Very high41 Ų4119.4 Ų19.422%0.21910%0.1CC..THydrogen-bonded Turntrans-136-62.3-168.8-70.187.2000112.8R28 F238R28-N242 WeakPolarHBondContact CB-O 3.49Å; R28-N242 PolarHBondContact N-O 3.35Å; F238-N242 HydrophobicContact CD1-CB 4.16Å; F238-N242 HydrophobicContact CD2-CB 3.64Å; F238-N242 HydrophobicContact CE1-CB 3.97Å; F238-N242 HydrophobicContact CE2-CB 3.38Å; F238-N242 HydrophobicContact CG-CB 4.03Å; F238-N242 HydrophobicContact CZ-CB 3.57Å; F238-N242 WeakPolarHBondContact O-CA 3.49Å; F238-N242 WeakPolarHBondContact O-CB 3.32Å; F238-N242 PolarHBondContact O-N 2.98Å
243D97.7Very high98.4Very high13 Ų1320.1 Ų20.17%0.0710%0.104CC..  trans-138.3101-173.9-172.8-22.9000110.1R28 F30 F238 S239 M245 W246R28-D243 HydrophobicContact CB-CB 4.4Å; R28-D243 WeakPolarHBondContact CD-OD2 3.48Å; R28-D243 IonicContact CZ-OD2 2.8Å; R28-D243 IonicContact NE-OD2 3.91Å; R28-D243 IonicContact NH1-OD2 3.82Å; R28-D243 PolarHBondContact NH1-OD2 2.95Å; F30-D243 WeakPolarHBondContact CZ-OD1 3.45Å; F238-D243 HydrophobicContact CD1-CB 4.14Å; F238-D243 HydrophobicContact CE1-CB 3.6Å; F238-D243 HydrophobicContact CZ-CB 4.43Å; F238-D243 PolarHBondContact O-N 3.37Å; S239-D243 VanDerWaalsContact CA-O 3.29Å; S239-D243 WeakPolarHBondContact CA-O 3.28Å; D243-M245 PolarHBondContact O-N 2.91Å; D243-M245 VanDerWaalsContact O-N 3.1Å; D243-M245 PolarHBondContact OD1-N 2.9Å; D243-W246 HydrophobicContact CB-CB 4.26Å; D243-W246 WeakPolarHBondContact O-CB 3.43Å; D243-W246 PolarHBondContact O-N 3.47Å; D243-W246 PolarHBondContact OD1-N 3.24Å
244R98.2Very high98.2Very high8 Ų826.4 Ų26.43%0.0315%0.148CC..THydrogen-bonded Turntrans-61.3-19.6-177.8-17751.8-174.888-1.6114L107 E110 R191 W193 S239 F399L107-R244 HydrophobicContact CD1-CB 4.33Å; L107-R244 HydrophobicContact CD1-CG 4.4Å; L107-R244 HydrophobicContact CD2-CB 4.26Å; L107-R244 HydrophobicContact CD2-CG 3.46Å; L107-R244 VanDerWaalsContact CD2-CG 3.46Å; E110-R244 IonicContact OE1-CZ 3.74Å; E110-R244 IonicContact OE1-NE 2.76Å; E110-R244 PolarHBondContact OE1-NE 3.16Å; E110-R244 IonicContact OE1-NH2 3.39Å; E110-R244 PolarHBondContact OE1-NH2 2.92Å; E110-R244 IonicContact OE2-CZ 2.72Å; E110-R244 IonicContact OE2-NE 3.11Å; E110-R244 PolarHBondContact OE2-NE 3.48Å; E110-R244 IonicContact OE2-NH2 3.1Å; R191-R244 PolarHBondContact O-NH1 3.43Å; W193-R244 VanDerWaalsContact CD2-CZ 3.43Å; S239-R244 WeakPolarHBondContact O-CA 3.47Å; R244-F399 PolarHBondContact NH2-O 3.44Å
245M98Very high98Very high6 Ų630.8 Ų30.83%0.0319%0.193CC..THydrogen-bonded Turntrans-93.43.4176.6-63.7-58.1116.900113.1F30 W63 L107 R191 D243 R247 I400F30-M245 HydrophobicContact CD1-CG 4.41Å; F30-M245 HydrophobicContact CE1-CB 4.18Å; F30-M245 HydrophobicContact CE1-CG 3.63Å; F30-M245 HydrophobicContact CE2-CG 4.41Å; F30-M245 HydrophobicContact CZ-CB 4.03Å; F30-M245 HydrophobicContact CZ-CG 3.62Å; W63-M245 HydrophobicContact CZ2-CE 4.45Å; W63-M245 HydrophobicContact CZ2-SD 3.53Å; W63-M245 VanDerWaalsContact CZ2-SD 3.53Å; L107-M245 HydrophobicContact CD2-CE 4.19Å; R191-M245 WeakPolarHBondContact CD-O 3.29Å; R191-M245 PolarHBondContact NH1-O 3.04Å; D243-M245 PolarHBondContact O-N 2.91Å; D243-M245 VanDerWaalsContact O-N 3.1Å; D243-M245 PolarHBondContact OD1-N 2.9Å; M245-R247 PolarHBondContact O-N 3.38Å; M245-I400 HydrophobicContact CE-CD1 3.83Å; M245-I400 HydrophobicContact CE-CG1 3.81Å
246W98.4Very high97.8Very high36 Ų3632.7 Ų32.714%0.13621%0.207CC..  trans-63.1131.3177.8-167.8-97000111.8S190 R191 F238 D243 K248 T249 R250 V259S190-W246 PolarHBondContact OG-O 3.07Å; R191-W246 VanDerWaalsContact CB-O 3.3Å; R191-W246 WeakPolarHBondContact CB-O 3.26Å; R191-W246 PolarHBondContact N-O 3.36Å; F238-W246 HydrophobicContact CD1-CB 3.65Å; F238-W246 AromaticContact CD1-CD1 3.9Å; F238-W246 AromaticContact CD1-CD2 3.62Å; F238-W246 HydrophobicContact CD1-CD2 3.62Å; F238-W246 HydrophobicContact CD1-CE3 4.04Å; F238-W246 AromaticContact CD1-CG 3.43Å; F238-W246 HydrophobicContact CD1-CG 3.43Å; F238-W246 VanDerWaalsContact CD1-CG 3.43Å; F238-W246 HydrophobicContact CE1-CB 4.16Å; F238-W246 AromaticContact CE1-CD2 3.65Å; F238-W246 HydrophobicContact CE1-CD2 3.65Å; F238-W246 AromaticContact CE1-CE3 3.57Å; F238-W246 HydrophobicContact CE1-CE3 3.57Å; F238-W246 AromaticContact CE1-CG 3.92Å; F238-W246 HydrophobicContact CE1-CG 3.92Å; F238-W246 HydrophobicContact CE1-CZ3 4.23Å; F238-W246 HydrophobicContact CG-CG 4.45Å; D243-W246 HydrophobicContact CB-CB 4.26Å; D243-W246 WeakPolarHBondContact O-CB 3.43Å; D243-W246 PolarHBondContact O-N 3.47Å; D243-W246 PolarHBondContact OD1-N 3.24Å; W246-K248 VanDerWaalsContact CD1-O 3.28Å; W246-K248 HydrophobicContact CZ2-CB 4.23Å; W246-K248 PolarHBondContact NE1-O 3.46Å; W246-T249 WeakPolarHBondContact CZ2-O 3.28Å; W246-T249 PolarHBondContact NE1-O 3.41Å; W246-R250 VanDerWaalsContact CH2-NH1 3.26Å; W246-V259 HydrophobicContact CH2-CB 4.13Å; W246-V259 VanDerWaalsContact CH2-O 3.25Å; W246-V259 WeakPolarHBondContact CH2-O 3.49Å; W246-V259 HydrophobicContact CZ2-CB 4.37Å; W246-V259 HydrophobicContact CZ2-CG1 4.35Å; W246-V259 WeakPolarHBondContact CZ2-O 3.14Å
247R98.4Very high97.6Very high18 Ų1841 Ų417%0.06825%0.25CC..  trans-107-49.3-178179.6-175.3173.985.9-13112.3H189 S190 E192 N232 M245 D262H189-R247 WeakPolarHBondContact CA-O 3.34Å; H189-R247 HydrophobicContact CB-CG 3.88Å; H189-R247 PolarHBondContact CE1-NH1 2.85Å; H189-R247 PolarHBondContact CE1-NH2 3.38Å; H189-R247 PolarHBondContact ND1-NH1 3.5Å; H189-R247 PolarHBondContact ND1-NH2 3.09Å; H189-R247 VanDerWaalsContact NE2-CZ 3.33Å; H189-R247 PolarHBondContact NE2-NH2 3.3Å; H189-R247 VanDerWaalsContact NE2-NH2 3.2Å; S190-R247 PolarHBondContact N-O 2.79Å; S190-R247 VanDerWaalsContact N-O 3.09Å; S190-R247 VanDerWaalsContact OG-C 3.31Å; S190-R247 PolarHBondContact OG-O 2.9Å; E192-R247 IonicContact OE1-NH1 2.7Å; E192-R247 PolarHBondContact OE1-NH1 2.59Å; E192-R247 VanDerWaalsContact OE1-NH1 3.11Å; N232-R247 PolarHBondContact ND2-O 2.68Å; M245-R247 PolarHBondContact O-N 3.38Å; R247-D262 IonicContact CZ-OD2 2.84Å; R247-D262 IonicContact NE-OD2 3.81Å; R247-D262 PolarHBondContact NE-OD2 3.05Å; R247-D262 VanDerWaalsContact NE-OD2 3.13Å; R247-D262 IonicContact NH2-OD2 3.71Å; R247-D262 PolarHBondContact NH2-OD2 3.03Å
248K98.8Very high97.5Very high4 Ų441.2 Ų41.22%0.01725%0.253CS..SBendtrans-71.7176.9-165.5-66.2-163.8-67.2175.30114.5N232 W246 V259 G260 V261 P280 S282N232-K248 VanDerWaalsContact ND2-C 3.35Å; N232-K248 PolarHBondContact ND2-O 2.68Å; W246-K248 VanDerWaalsContact CD1-O 3.28Å; W246-K248 HydrophobicContact CZ2-CB 4.23Å; W246-K248 PolarHBondContact NE1-O 3.46Å; K248-V259 WeakPolarHBondContact CE-O 3.28Å; K248-V259 PolarHBondContact NZ-O 3.26Å; K248-G260 WeakPolarHBondContact CE-O 3.26Å; K248-G260 PolarHBondContact NZ-O 2.68Å; K248-V261 WeakPolarHBondContact CA-O 3.27Å; K248-V261 VanDerWaalsContact CB-O 3.25Å; K248-V261 WeakPolarHBondContact CB-O 3.22Å; K248-P280 PolarHBondContact NZ-O 3.08Å; K248-S282 WeakPolarHBondContact CD-O 3.43Å; K248-S282 WeakPolarHBondContact CE-O 3.3Å; K248-S282 PolarHBondContact NZ-O 3.47Å
249T98.9Very high97.4Very high0 Ų041.2 Ų41.20%026%0.256CS..  trans-65.8-175.9163.9630000111.3W246 S251 G260 V261 P263 E293W246-T249 WeakPolarHBondContact CZ2-O 3.28Å; W246-T249 PolarHBondContact NE1-O 3.41Å; T249-S251 PolarHBondContact OG1-OG 3.01Å; T249-G260 VanDerWaalsContact O-CA 3.23Å; T249-G260 WeakPolarHBondContact O-CA 3.37Å; T249-V261 PolarHBondContact N-O 2.94Å; T249-V261 PolarHBondContact OG1-N 3.03Å; T249-V261 PolarHBondContact OG1-O 2.97Å; T249-P263 HydrophobicContact CG2-CB 3.93Å; T249-P263 HydrophobicContact CG2-CG 4.22Å; T249-E293 WeakPolarHBondContact CB-OE2 3.39Å; T249-E293 HydrophobicContact CG2-CB 4.22Å; T249-E293 HydrophobicContact CG2-CG 3.94Å; T249-E293 PolarHBondContact OG1-OE2 2.8Å
250R98.8Very high97.4Very high42 Ų4241.1 Ų41.116%0.15826%0.255CS..  trans-117.317178.3-66.5-62-58.3162.81.7114.2E163 D234 F238 W246 V259E163-R250 HydrophobicContact CG-CB 4.23Å; E163-R250 IonicContact OE1-NE 3.7Å; D234-R250 HydrophobicContact CB-CB 3.8Å; D234-R250 HydrophobicContact CB-CG 3.7Å; F238-R250 HydrophobicContact CB-CG 4.44Å; W246-R250 VanDerWaalsContact CH2-NH1 3.26Å; R250-V259 WeakPolarHBondContact O-CG1 3.47Å
251S98.5Very high97.5Very high10 Ų1039.3 Ų39.37%0.0725%0.246CC..PPolyproline II helixtrans-65.7133.517556.80000111.4T249 V259 G260 E293T249-S251 PolarHBondContact OG1-OG 3.01Å; S251-V259 WeakPolarHBondContact O-CG1 3.31Å; S251-G260 WeakPolarHBondContact O-CA 3.26Å; S251-G260 PolarHBondContact O-N 3.36Å; S251-E293 WeakPolarHBondContact CB-OE2 3.23Å; S251-E293 PolarHBondContact OG-OE2 3.11Å
252P98.1Very high97.6Very high74 Ų7437.2 Ų37.248%0.48123%0.234SC..BIsolated β-bridgetrans-74.6140.2172.931.2-32.5000109.8Y162Y162-P252 HydrophobicContact CE1-CG 4.1Å; Y162-P252 HydrophobicContact CE2-CG 4.38Å; Y162-P252 WeakPolarHBondContact OH-CD 3.23Å; Y162-P252 WeakPolarHBondContact OH-CG 3.44Å
253N97.7Very high97.6Very high15 Ų1535.4 Ų35.48%0.0822%0.224CC..PPolyproline II helixtrans-97.3119.7179.4-63.7-54.3000110.2G255 S256 C258 G260 P280 Y285N253-G255 PolarHBondContact O-N 3.4Å; N253-S256 PolarHBondContact O-N 2.9Å; N253-S256 VanDerWaalsContact O-O 3.12Å; N253-C258 WeakPolarHBondContact CB-O 3.24Å; N253-C258 PolarHBondContact ND2-O 3.01Å; N253-G260 PolarHBondContact ND2-N 3.39Å; N253-G260 PolarHBondContact ND2-O 3.24Å; N253-P280 HydrophobicContact CB-CB 3.94Å; N253-Y285 WeakPolarHBondContact OD1-CE1 3.46Å
254S94.8Very high97.7Very high133 Ų13335.8 Ų35.893%0.9323%0.226SC*.THydrogen-bonded Turntrans-57.4127.9-178.9-171.50000111.4S256S254-S256 VanDerWaalsContact C-N 3.29Å; S254-S256 PolarHBondContact O-N 2.65Å
255G94.8Very high97.7Very high91 Ų9135.8 Ų35.894%0.93823%0.226SC*.THydrogen-bonded Turntrans776.7-178.600000115.3N253N253-G255 PolarHBondContact O-N 3.4Å
256S95.6Very high97.8Very high41 Ų4135.5 Ų35.529%0.28723%0.225SC..  trans-127.5152.2175-176.10000111.6N253 S254 C258N253-S256 PolarHBondContact O-N 2.9Å; N253-S256 VanDerWaalsContact O-O 3.12Å; S254-S256 VanDerWaalsContact C-N 3.29Å; S254-S256 PolarHBondContact O-N 2.65Å; S256-C258 VanDerWaalsContact C-N 3.33Å; S256-C258 PolarHBondContact OG-N 2.96Å; S256-C258 VanDerWaalsContact OG-N 3.08Å
257L94.9Very high97.8Very high175 Ų17533.8 Ų33.892%0.91622%0.218SC*.SBendtrans-83.5-13.8169.3-64.5178.1000112.2
258C95.9Very high97.8Very high37 Ų3737.9 Ų37.925%0.2524%0.241CC..  trans-81.9141.3-179.2-66.20000111.2N253 S256 P280 C281N253-C258 WeakPolarHBondContact CB-O 3.24Å; N253-C258 PolarHBondContact ND2-O 3.01Å; S256-C258 VanDerWaalsContact C-N 3.33Å; S256-C258 PolarHBondContact OG-N 2.96Å; S256-C258 VanDerWaalsContact OG-N 3.08Å; C258-P280 HydrophobicContact CB-CB 4.41Å; C258-P280 WeakPolarHBondContact CB-O 3.49Å; C258-C281 HydrophobicContact CB-CB 3.84Å; C258-C281 WeakPolarHBondContact CB-SG 3.41Å; C258-C281 WeakPolarHBondContact SG-CA 3.33Å; C258-C281 WeakPolarHBondContact SG-CB 3.26Å; C258-C281 CovalentContact SG-SG 2.04Å; C258-C281 PolarHBondContact SG-SG 3Å
259V98.2Very high97.8Very high37 Ų3737.8 Ų37.822%0.22424%0.241CC..BIsolated β-bridgetrans-111.2145.9-172.8179.70000110W246 K248 R250 S251W246-V259 HydrophobicContact CH2-CB 4.13Å; W246-V259 VanDerWaalsContact CH2-O 3.25Å; W246-V259 WeakPolarHBondContact CH2-O 3.49Å; W246-V259 HydrophobicContact CZ2-CB 4.37Å; W246-V259 HydrophobicContact CZ2-CG1 4.35Å; W246-V259 WeakPolarHBondContact CZ2-O 3.14Å; K248-V259 WeakPolarHBondContact CE-O 3.28Å; K248-V259 PolarHBondContact NZ-O 3.26Å; R250-V259 WeakPolarHBondContact O-CG1 3.47Å; S251-V259 WeakPolarHBondContact O-CG1 3.31Å
260G98.6Very high97.7Very high0 Ų039.5 Ų39.50%026%0.259CS..  trans85.1155.417000000113.9K248 T249 S251 N253K248-G260 WeakPolarHBondContact CE-O 3.26Å; K248-G260 PolarHBondContact NZ-O 2.68Å; T249-G260 VanDerWaalsContact O-CA 3.23Å; T249-G260 WeakPolarHBondContact O-CA 3.37Å; S251-G260 WeakPolarHBondContact O-CA 3.26Å; S251-G260 PolarHBondContact O-N 3.36Å; N253-G260 PolarHBondContact ND2-N 3.39Å; N253-G260 PolarHBondContact ND2-O 3.24Å
261V98.8Very high97.7Very high0 Ų040.2 Ų40.20%026%0.263CS..  trans-116.6148.5173171.30000107.7K248 T249 P263 N266 Y285 S286 E293K248-V261 WeakPolarHBondContact CA-O 3.27Å; K248-V261 VanDerWaalsContact CB-O 3.25Å; K248-V261 WeakPolarHBondContact CB-O 3.22Å; T249-V261 PolarHBondContact N-O 2.94Å; T249-V261 PolarHBondContact OG1-N 3.03Å; T249-V261 PolarHBondContact OG1-O 2.97Å; V261-P263 WeakPolarHBondContact O-CD 3.32Å; V261-N266 HydrophobicContact CG1-CB 4.02Å; V261-Y285 HydrophobicContact CB-CD1 4.35Å; V261-Y285 WeakPolarHBondContact CG1-O 3.41Å; V261-Y285 HydrophobicContact CG2-CD1 3.73Å; V261-Y285 HydrophobicContact CG2-CE1 3.72Å; V261-S286 VanDerWaalsContact CG1-C 3.5Å; V261-S286 WeakPolarHBondContact CG1-O 3.32Å; V261-E293 HydrophobicContact CB-CG 3.67Å; V261-E293 HydrophobicContact CG1-CG 3.7Å; V261-E293 VanDerWaalsContact CG2-CD 3.48Å; V261-E293 HydrophobicContact CG2-CG 4.27Å; V261-E293 VanDerWaalsContact CG2-OE1 3.27Å; V261-E293 WeakPolarHBondContact CG2-OE1 3.34Å
262D98.8Very high97.6Very high1 Ų141.9 Ų41.91%0.00528%0.282CS..  trans-69.2109.5167.7-173.4-33.9000108.2H189 R247 N264 R265 N266 D283 Y285H189-D262 IonicContact CD2-OD1 3.12Å; H189-D262 IonicContact NE2-OD1 3.85Å; H189-D262 PolarHBondContact NE2-OD1 3.41Å; H189-D262 IonicContact NE2-OD2 3.4Å; R247-D262 IonicContact CZ-OD2 2.84Å; R247-D262 IonicContact NE-OD2 3.81Å; R247-D262 PolarHBondContact NE-OD2 3.05Å; R247-D262 VanDerWaalsContact NE-OD2 3.13Å; R247-D262 IonicContact NH2-OD2 3.71Å; R247-D262 PolarHBondContact NH2-OD2 3.03Å; D262-N264 PolarHBondContact O-N 3.12Å; D262-N264 VanDerWaalsContact O-N 3.14Å; D262-N264 WeakPolarHBondContact OD1-CA 3.48Å; D262-N264 PolarHBondContact OD1-N 3.14Å; D262-R265 HydrophobicContact CB-CB 4Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 PolarHBondContact O-N 3.03Å; D262-R265 PolarHBondContact OD1-N 3.15Å; D262-N266 PolarHBondContact O-N 3.27Å; D262-D283 WeakPolarHBondContact CB-O 3.26Å; D262-Y285 PolarHBondContact N-O 3.41Å
263P98.8Very high97.6Very high2 Ų239.3 Ų39.31%0.01327%0.27CS..THydrogen-bonded Turntrans-66.7-15.3-176.828.6-33.8000112.9I188 T249 V261 W267 V296I188-P263 HydrophobicContact CD1-CB 4.13Å; I188-P263 HydrophobicContact CG1-CB 3.78Å; I188-P263 HydrophobicContact CG1-CG 3.81Å; I188-P263 WeakPolarHBondContact O-CG 3.46Å; T249-P263 HydrophobicContact CG2-CB 3.93Å; T249-P263 HydrophobicContact CG2-CG 4.22Å; V261-P263 WeakPolarHBondContact O-CD 3.32Å; P263-W267 PolarHBondContact O-NE1 3.23Å; P263-V296 HydrophobicContact CB-CG2 4.04Å; P263-V296 WeakPolarHBondContact O-CG2 3.2Å
264N98.8Very high97.4Very high22 Ų2242.3 Ų42.312%0.11829%0.29CS..THydrogen-bonded Turntrans-102.322.5172.6-154.826000113H189 D262 H316 G372 G373 S374H189-N264 WeakPolarHBondContact NE2-CB 3.49Å; D262-N264 PolarHBondContact O-N 3.12Å; D262-N264 VanDerWaalsContact O-N 3.14Å; D262-N264 WeakPolarHBondContact OD1-CA 3.48Å; D262-N264 PolarHBondContact OD1-N 3.14Å; N264-H316 PolarHBondContact ND2-CE1 3.1Å; N264-H316 PolarHBondContact ND2-NE2 3.4Å; N264-G372 CarbonylContact C-O 3.57Å; N264-G373 WeakPolarHBondContact OD1-CA 3.4Å; N264-S374 PolarHBondContact OD1-N 3.01Å; N264-S374 PolarHBondContact OD1-OG 3.31Å
265R98.8Very high97.1Very high7 Ų737.5 Ų37.53%0.02626%0.262CS..SBendtrans-122.60.1161.5-61.7-61.2-177.1-86.3-4.9112.6D262 G275 Y368 S371 G372D262-R265 HydrophobicContact CB-CB 4Å; D262-R265 HydrophobicContact CB-CG 3.79Å; D262-R265 PolarHBondContact O-N 3.03Å; D262-R265 PolarHBondContact OD1-N 3.15Å; R265-G275 PolarHBondContact NE-O 3.07Å; R265-Y368 PolarHBondContact NH2-OH 2.84Å; R265-S371 WeakPolarHBondContact CD-O 3.5Å; R265-G372 CarbonylContact C-O 3.53Å; R265-G372 WeakPolarHBondContact CA-O 3.3Å; R265-G372 PolarHBondContact N-O 3.35Å
266N98.9Very high97.1Very high0 Ų034.5 Ų34.50%023%0.226CC..  trans-97.83.2-170.8-164.4-114.5000113.7V261 D262 S286 F289 A290 H291 S292 E293 V296 G372V261-N266 HydrophobicContact CG1-CB 4.02Å; D262-N266 PolarHBondContact O-N 3.27Å; N266-S286 PolarHBondContact ND2-O 3.35Å; N266-F289 PolarHBondContact ND2-O 3.23Å; N266-A290 CarbonylContact O-C 3.59Å; N266-A290 WeakPolarHBondContact O-CA 3.19Å; N266-H291 PolarHBondContact O-N 3.27Å; N266-H291 VanDerWaalsContact OD1-CA 3.26Å; N266-H291 WeakPolarHBondContact OD1-CA 3.41Å; N266-H291 PolarHBondContact OD1-N 2.82Å; N266-S292 PolarHBondContact ND2-OG 3.16Å; N266-S292 PolarHBondContact OD1-N 2.79Å; N266-E293 HydrophobicContact CB-CG 4.24Å; N266-E293 PolarHBondContact OD1-N 3.11Å; N266-V296 HydrophobicContact CB-CG2 4.4Å; N266-G372 PolarHBondContact N-O 2.91Å
267W98.9Very high97.1Very high0 Ų034 Ų340%022%0.223CC..SBendtrans-85152.1-178.6-57.874.3000111.9I188 P263 A269 V296 I299 V300 F312 G372 S374 W377I188-W267 HydrophobicContact CD1-CZ2 4.1Å; P263-W267 PolarHBondContact O-NE1 3.23Å; W267-A269 PolarHBondContact O-N 3.41Å; W267-V296 HydrophobicContact CD2-CG1 3.68Å; W267-V296 HydrophobicContact CE3-CG1 3.96Å; W267-V296 HydrophobicContact CG-CG1 4.16Å; W267-V296 HydrophobicContact CH2-CG1 4.26Å; W267-V296 HydrophobicContact CZ2-CG1 3.98Å; W267-V296 HydrophobicContact CZ2-CG2 4.4Å; W267-V296 HydrophobicContact CZ3-CG1 4.24Å; W267-I299 HydrophobicContact CH2-CB 3.94Å; W267-I299 HydrophobicContact CH2-CD1 4.18Å; W267-I299 HydrophobicContact CH2-CG2 3.7Å; W267-I299 HydrophobicContact CZ2-CD1 4.3Å; W267-I299 HydrophobicContact CZ3-CG2 4.33Å; W267-V300 HydrophobicContact CE3-CG2 3.88Å; W267-V300 HydrophobicContact CZ3-CG2 3.65Å; W267-F312 HydrophobicContact CH2-CZ 4.09Å; W267-G372 WeakPolarHBondContact CB-O 3.46Å; W267-G372 PolarHBondContact N-O 2.94Å; W267-G372 VanDerWaalsContact O-CA 3.32Å; W267-G372 WeakPolarHBondContact O-CA 3.32Å; W267-S374 VanDerWaalsContact CE2-CB 3.42Å; W267-W377 HydrophobicContact CB-CB 3.86Å; W267-W377 HydrophobicContact CB-CG 4.35Å; W267-W377 HydrophobicContact CE3-CB 4.15Å; W267-W377 AromaticContact CE3-CD2 3.54Å; W267-W377 HydrophobicContact CE3-CD2 3.54Å; W267-W377 AromaticContact CE3-CE3 3.38Å; W267-W377 HydrophobicContact CE3-CE3 3.38Å; W267-W377 AromaticContact CE3-CG 3.87Å; W267-W377 HydrophobicContact CE3-CG 3.87Å; W267-W377 HydrophobicContact CE3-CZ3 4.04Å; W267-W377 HydrophobicContact CH2-CE3 4.45Å; W267-W377 HydrophobicContact CH2-CZ3 4.48Å; W267-W377 AromaticContact CZ3-CD2 3.89Å; W267-W377 HydrophobicContact CZ3-CD2 3.89Å; W267-W377 AromaticContact CZ3-CE3 3.3Å; W267-W377 HydrophobicContact CZ3-CE3 3.3Å; W267-W377 HydrophobicContact CZ3-CH2 4.19Å; W267-W377 AromaticContact CZ3-CZ3 3.48Å; W267-W377 HydrophobicContact CZ3-CZ3 3.48Å; W267-W377 VanDerWaalsContact CZ3-CZ3 3.48Å
268D98.8Very high97.1Very high104 Ų10430.9 Ų30.956%0.55622%0.215SC*.SBendtrans-78.461179.1-165.620.9000112.2A290 H291D268-A290 HydrophobicContact CB-CB 3.76Å; D268-H291 WeakPolarHBondContact CB-CE1 3.37Å; D268-H291 PolarHBondContact N-NE2 3Å
269A98.5Very high97.1Very high2 Ų230.8 Ų30.82%0.01722%0.215CC..SBendtrans-141.193176.800000109.6W267 F271 Y328 G372 D376 W377W267-A269 PolarHBondContact O-N 3.41Å; A269-F271 PolarHBondContact O-N 2.82Å; A269-Y328 HydrophobicContact CB-CD1 4.11Å; A269-Y328 HydrophobicContact CB-CE1 4.18Å; A269-G372 VanDerWaalsContact O-CA 3.27Å; A269-G372 WeakPolarHBondContact O-CA 3.26Å; A269-G372 PolarHBondContact O-N 2.96Å; A269-D376 HydrophobicContact CB-CB 3.73Å; A269-W377 HydrophobicContact CB-CB 3.88Å
270G98Very high97Very high36 Ų3630.6 Ų30.637%0.37122%0.215SC..SBendtrans64.421.9-172.900000114.1G272 G273 S371G270-G272 PolarHBondContact O-N 2.76Å; G270-G273 PolarHBondContact O-N 2.79Å; G270-S371 WeakPolarHBondContact O-CB 3.4Å
271F98.6Very high96.8Very high57 Ų5733 Ų3325%0.2523%0.231CC..THydrogen-bonded Turntrans-43133.3-174.6177.7-92.4000113.8A269 G273 S286 G287 F289 A290A269-F271 PolarHBondContact O-N 2.82Å; F271-G273 PolarHBondContact O-N 3.24Å; F271-S286 VanDerWaalsContact CE2-O 3.23Å; F271-S286 WeakPolarHBondContact CE2-O 3.34Å; F271-G287 WeakPolarHBondContact CZ-O 3.43Å; F271-F289 VanDerWaalsContact CE2-C 3.48Å; F271-F289 VanDerWaalsContact CZ-CA 3.42Å; F271-A290 HydrophobicContact CB-CB 4.04Å; F271-A290 HydrophobicContact CD1-CB 4.33Å; F271-A290 HydrophobicContact CD2-CB 3.69Å; F271-A290 HydrophobicContact CE2-CB 4.22Å; F271-A290 HydrophobicContact CG-CB 3.75Å
272G96.8Very high96.5Very high45 Ų4534.6 Ų34.646%0.46424%0.242SC..THydrogen-bonded Turntrans71.85.5-179.700000114.6G270G270-G272 PolarHBondContact O-N 2.76Å
273G96.7Very high96.3Very high21 Ų2137 Ų3722%0.21626%0.255CS..SBendtrans-76.4-173.9174.300000113.6G270 F271 S276 S371G270-G273 PolarHBondContact O-N 2.79Å; F271-G273 PolarHBondContact O-N 3.24Å; G273-S276 PolarHBondContact O-N 2.91Å; G273-S276 PolarHBondContact O-OG 2.91Å; G273-S371 VanDerWaalsContact C-OG 3.28Å; G273-S371 PolarHBondContact N-OG 2.93Å; G273-S371 PolarHBondContact O-OG 2.87Å
274P93.2Very high96.1Very high77 Ų7737.5 Ų37.550%0.526%0.259SS..THydrogen-bonded Turntrans-52.4148.5177.8-25.234.6000113.5S276 Q369 S371P274-S276 VanDerWaalsContact C-N 3.28Å; P274-Q369 HydrophobicContact CB-CG 4.34Å; P274-S371 WeakPolarHBondContact O-CB 3.25Å; P274-S371 PolarHBondContact O-N 2.9Å; P274-S371 PolarHBondContact O-OG 3.22Å
275G90.2Very high96Very high33 Ų3337.6 Ų37.634%0.3426%0.258SS..THydrogen-bonded Turntrans79.77.5-176.900000115.2R265 Q369R265-G275 PolarHBondContact NE-O 3.07Å; G275-Q369 WeakPolarHBondContact CA-O 3.43Å
276S94.6Very high96Very high28 Ų2837.6 Ų37.620%0.19626%0.259CS..SBendtrans-122171.2166.573.90000110G273 P274 S371G273-S276 PolarHBondContact O-N 2.91Å; G273-S276 PolarHBondContact O-OG 2.91Å; P274-S276 VanDerWaalsContact C-N 3.28Å; S276-S371 VanDerWaalsContact CB-OG 3.29Å; S276-S371 WeakPolarHBondContact CB-OG 3.27Å; S276-S371 PolarHBondContact OG-OG 2.86Å
277S94.4Very high96Very high31 Ų3137.8 Ų37.822%0.21726%0.262CS..BIsolated β-bridgetrans-122.1147.6175-176.40000111.3S279 S282 A284 Y285 S286S277-S279 PolarHBondContact OG-N 2.95Å; S277-S279 VanDerWaalsContact OG-N 3.11Å; S277-S282 VanDerWaalsContact CB-CB 3.44Å; S277-S282 VanDerWaalsContact CB-OG 3.26Å; S277-S282 WeakPolarHBondContact CB-OG 3.36Å; S277-S282 VanDerWaalsContact OG-CB 3.29Å; S277-S282 WeakPolarHBondContact OG-CB 3.25Å; S277-A284 PolarHBondContact N-O 3.27Å; S277-Y285 CarbonylContact O-C 3.58Å; S277-Y285 VanDerWaalsContact O-CA 3.31Å; S277-Y285 WeakPolarHBondContact O-CA 3.35Å; S277-Y285 WeakPolarHBondContact O-CD2 3.21Å; S277-S286 PolarHBondContact O-N 3.33Å
278S95.8Very high95.9Very high108 Ų10841.8 Ų41.876%0.75529%0.288SS*.SBendtrans-93.4-6.1169.259.30000113.2P280 Y285S278-P280 WeakPolarHBondContact O-CD 3.11Å; S278-Y285 WeakPolarHBondContact O-CE2 3.24Å
279S95.4Very high95.9Very high36 Ų3642.9 Ų42.925%0.25229%0.288SS..  trans-78.7121.8175.4174.60000110.2E56 S277 C281 S282 Y285E56-S279 PolarHBondContact OE1-OG 3.27Å; E56-S279 VanDerWaalsContact OE1-OG 3.13Å; S277-S279 PolarHBondContact OG-N 2.95Å; S277-S279 VanDerWaalsContact OG-N 3.11Å; S279-C281 PolarHBondContact O-N 2.88Å; S279-C281 PolarHBondContact OG-N 2.78Å; S279-S282 WeakPolarHBondContact O-CB 3.41Å; S279-S282 PolarHBondContact O-N 3.32Å; S279-Y285 VanDerWaalsContact O-CB 3.3Å; S279-Y285 WeakPolarHBondContact O-CB 3.48Å; S279-Y285 WeakPolarHBondContact O-CD2 3.14Å
280P96.5Very high95.9Very high33 Ų3344 Ų4421%0.21430%0.296CS..THydrogen-bonded Turntrans-59.1-19.7176.1-25.835.8000114.8K248 N253 C258 S278 Y285K248-P280 PolarHBondContact NZ-O 3.08Å; N253-P280 HydrophobicContact CB-CB 3.94Å; C258-P280 HydrophobicContact CB-CB 4.41Å; C258-P280 WeakPolarHBondContact CB-O 3.49Å; S278-P280 WeakPolarHBondContact O-CD 3.11Å; P280-Y285 HydrophobicContact CB-CD1 4.34Å; P280-Y285 HydrophobicContact CB-CE1 4.17Å; P280-Y285 HydrophobicContact CG-CE1 4.41Å; P280-Y285 HydrophobicContact CG-CE2 4.25Å
281C93.8Very high96Very high50 Ų5043.5 Ų43.534%0.33828%0.284SS..THydrogen-bonded Turntrans-86.5-15.5179.2-60.40000113.4C258 S279C258-C281 HydrophobicContact CB-CB 3.84Å; C258-C281 WeakPolarHBondContact CB-SG 3.41Å; C258-C281 WeakPolarHBondContact SG-CA 3.33Å; C258-C281 WeakPolarHBondContact SG-CB 3.26Å; C258-C281 CovalentContact SG-SG 2.04Å; C258-C281 PolarHBondContact SG-SG 3Å; S279-C281 PolarHBondContact O-N 2.88Å; S279-C281 PolarHBondContact OG-N 2.78Å
282S93.3Very high96Very high34 Ų3442 Ų4224%0.23828%0.281CS..SBendtrans-69.5144.4175.3-178.40000111.3K248 S277 S279 A284 Y285K248-S282 WeakPolarHBondContact CD-O 3.43Å; K248-S282 WeakPolarHBondContact CE-O 3.3Å; K248-S282 PolarHBondContact NZ-O 3.47Å; S277-S282 VanDerWaalsContact CB-CB 3.44Å; S277-S282 VanDerWaalsContact CB-OG 3.26Å; S277-S282 WeakPolarHBondContact CB-OG 3.36Å; S277-S282 VanDerWaalsContact OG-CB 3.29Å; S277-S282 WeakPolarHBondContact OG-CB 3.25Å; S279-S282 WeakPolarHBondContact O-CB 3.41Å; S279-S282 PolarHBondContact O-N 3.32Å; S282-A284 PolarHBondContact O-N 3.28Å; S282-A284 PolarHBondContact OG-N 3.47Å; S282-A284 VanDerWaalsContact OG-N 3.13Å; S282-Y285 WeakPolarHBondContact O-CB 3Å; S282-Y285 PolarHBondContact O-N 2.87Å
283D93.2Very high96.1Very high51 Ų5140.2 Ų40.227%0.27326%0.261SS..THydrogen-bonded Turntrans-69.9-14.8169.3-84.5-33.2000113.3D262D262-D283 WeakPolarHBondContact CB-O 3.26Å
284A94.8Very high96.2Very high13 Ų1342.4 Ų42.411%0.10727%0.267CS..THydrogen-bonded Turntrans-103.318.3174.500000112.8S277 S282 S286S277-A284 PolarHBondContact N-O 3.27Å; S282-A284 PolarHBondContact O-N 3.28Å; S282-A284 PolarHBondContact OG-N 3.47Å; S282-A284 VanDerWaalsContact OG-N 3.13Å; A284-S286 PolarHBondContact O-N 2.91Å
285Y97.7Very high96.5Very high23 Ų2338.9 Ų38.99%0.0924%0.244CC..BIsolated β-bridgetrans-58.7120.9-179.7179.1-132.5000111.2N253 V261 D262 S277 S278 S279 P280 S282 G287N253-Y285 WeakPolarHBondContact OD1-CE1 3.46Å; V261-Y285 HydrophobicContact CB-CD1 4.35Å; V261-Y285 WeakPolarHBondContact CG1-O 3.41Å; V261-Y285 HydrophobicContact CG2-CD1 3.73Å; V261-Y285 HydrophobicContact CG2-CE1 3.72Å; D262-Y285 PolarHBondContact N-O 3.41Å; S277-Y285 CarbonylContact O-C 3.58Å; S277-Y285 VanDerWaalsContact O-CA 3.31Å; S277-Y285 WeakPolarHBondContact O-CA 3.35Å; S277-Y285 WeakPolarHBondContact O-CD2 3.21Å; S278-Y285 WeakPolarHBondContact O-CE2 3.24Å; S279-Y285 VanDerWaalsContact O-CB 3.3Å; S279-Y285 WeakPolarHBondContact O-CB 3.48Å; S279-Y285 WeakPolarHBondContact O-CD2 3.14Å; P280-Y285 HydrophobicContact CB-CD1 4.34Å; P280-Y285 HydrophobicContact CB-CE1 4.17Å; P280-Y285 HydrophobicContact CG-CE1 4.41Å; P280-Y285 HydrophobicContact CG-CE2 4.25Å; S282-Y285 WeakPolarHBondContact O-CB 3Å; S282-Y285 PolarHBondContact O-N 2.87Å; Y285-G287 VanDerWaalsContact C-N 3.29Å; Y285-G287 VanDerWaalsContact CZ-CA 3.48Å; Y285-G287 PolarHBondContact O-N 3.12Å
286S98.3Very high96.9Very high7 Ų737.4 Ų37.45%0.04923%0.228CC..  trans-74.2-17.4-176.961.40000114.1V261 N266 F271 S277 A284V261-S286 VanDerWaalsContact CG1-C 3.5Å; V261-S286 WeakPolarHBondContact CG1-O 3.32Å; N266-S286 PolarHBondContact ND2-O 3.35Å; F271-S286 VanDerWaalsContact CE2-O 3.23Å; F271-S286 WeakPolarHBondContact CE2-O 3.34Å; S277-S286 PolarHBondContact O-N 3.33Å; A284-S286 PolarHBondContact O-N 2.91Å
287G98.4Very high97.1Very high5 Ų539.6 Ų39.65%0.05223%0.234CC..  trans92.1173.6-172.100000112.9F271 Y285F271-G287 WeakPolarHBondContact CZ-O 3.43Å; Y285-G287 VanDerWaalsContact C-N 3.29Å; Y285-G287 VanDerWaalsContact CZ-CA 3.48Å; Y285-G287 PolarHBondContact O-N 3.12Å
288P98.1Very high97.3Very high84 Ų8438.7 Ų38.755%0.54523%0.227SC..SBendtrans-73.1-25.6-175.628-36.5000114.3
289F98.7Very high97.5Very high127 Ų12733.6 Ų33.656%0.55719%0.191SC*.SBendtrans-162.1161.4176.153.1-92.9000109.9N266 F271 H291 S292N266-F289 PolarHBondContact ND2-O 3.23Å; F271-F289 VanDerWaalsContact CE2-C 3.48Å; F271-F289 VanDerWaalsContact CZ-CA 3.42Å; F289-H291 PolarHBondContact O-N 3.46Å; F289-S292 VanDerWaalsContact CE2-CA 3.46Å; F289-S292 VanDerWaalsContact O-CB 3.27Å; F289-S292 WeakPolarHBondContact O-CB 3.44Å; F289-S292 PolarHBondContact O-N 3.46Å; F289-S292 VanDerWaalsContact O-N 3.16Å; F289-S292 PolarHBondContact O-OG 2.98Å
290A98.8Very high97.6Very high24 Ų2431.9 Ų31.920%0.19818%0.179CC..THydrogen-bonded Turntrans-61.2135.3178.700000111.7N266 D268 F271 S292N266-A290 CarbonylContact O-C 3.59Å; N266-A290 WeakPolarHBondContact O-CA 3.19Å; D268-A290 HydrophobicContact CB-CB 3.76Å; F271-A290 HydrophobicContact CB-CB 4.04Å; F271-A290 HydrophobicContact CD1-CB 4.33Å; F271-A290 HydrophobicContact CD2-CB 3.69Å; F271-A290 HydrophobicContact CE2-CB 4.22Å; F271-A290 HydrophobicContact CG-CB 3.75Å; A290-S292 VanDerWaalsContact C-N 3.27Å; A290-S292 PolarHBondContact O-N 3.31Å
291H98.7Very high97.7Very high26 Ų2633.8 Ų33.812%0.1219%0.187CC..THydrogen-bonded Turntrans61.130.3-174.4-43.4138.8000113.6N266 D268 F289 E293 K297 W377N266-H291 PolarHBondContact O-N 3.27Å; N266-H291 VanDerWaalsContact OD1-CA 3.26Å; N266-H291 WeakPolarHBondContact OD1-CA 3.41Å; N266-H291 PolarHBondContact OD1-N 2.82Å; D268-H291 WeakPolarHBondContact CB-CE1 3.37Å; D268-H291 PolarHBondContact N-NE2 3Å; F289-H291 PolarHBondContact O-N 3.46Å; H291-E293 VanDerWaalsContact C-N 3.26Å; H291-K297 HydrophobicContact CB-CD 4.01Å; H291-W377 AromaticContact CE1-NE1 3.88Å; H291-W377 AromaticContact NE2-CD1 3.92Å; H291-W377 AromaticContact NE2-NE1 3.86Å
292S98.8Very high98Very high26 Ų2632.9 Ų32.918%0.18218%0.179CC..  trans-64.4-32.2171.765.80000112.6N266 F289 A290 I294N266-S292 PolarHBondContact ND2-OG 3.16Å; N266-S292 PolarHBondContact OD1-N 2.79Å; F289-S292 VanDerWaalsContact CE2-CA 3.46Å; F289-S292 VanDerWaalsContact O-CB 3.27Å; F289-S292 WeakPolarHBondContact O-CB 3.44Å; F289-S292 PolarHBondContact O-N 3.46Å; F289-S292 VanDerWaalsContact O-N 3.16Å; F289-S292 PolarHBondContact O-OG 2.98Å; A290-S292 VanDerWaalsContact C-N 3.27Å; A290-S292 PolarHBondContact O-N 3.31Å; S292-I294 PolarHBondContact O-N 3.46Å
293E98.9Very high98.2Very high8 Ų831.6 Ų31.64%0.03717%0.17CC..SBendtrans-77.2124-179.9-57.7-45.494.900109.5T249 S251 V261 N266 H291 E295 V296 K297T249-E293 WeakPolarHBondContact CB-OE2 3.39Å; T249-E293 HydrophobicContact CG2-CB 4.22Å; T249-E293 HydrophobicContact CG2-CG 3.94Å; T249-E293 PolarHBondContact OG1-OE2 2.8Å; S251-E293 WeakPolarHBondContact CB-OE2 3.23Å; S251-E293 PolarHBondContact OG-OE2 3.11Å; V261-E293 HydrophobicContact CB-CG 3.67Å; V261-E293 HydrophobicContact CG1-CG 3.7Å; V261-E293 VanDerWaalsContact CG2-CD 3.48Å; V261-E293 HydrophobicContact CG2-CG 4.27Å; V261-E293 VanDerWaalsContact CG2-OE1 3.27Å; V261-E293 WeakPolarHBondContact CG2-OE1 3.34Å; N266-E293 HydrophobicContact CB-CG 4.24Å; N266-E293 PolarHBondContact OD1-N 3.11Å; H291-E293 VanDerWaalsContact C-N 3.26Å; E293-E295 PolarHBondContact O-N 3.32Å; E293-V296 HydrophobicContact CB-CB 4.27Å; E293-V296 HydrophobicContact CB-CG2 4.08Å; E293-V296 PolarHBondContact O-N 3.4Å; E293-V296 VanDerWaalsContact O-N 3.11Å; E293-K297 WeakPolarHBondContact O-CB 3.3Å; E293-K297 PolarHBondContact O-N 3.2Å
294I98.9Very high98.5Very high67 Ų6734.3 Ų34.334%0.34418%0.181SC..Hα-helixtrans-62-31.2-177.1-17159.8000111.1R160 S161 Y162 S292 K297 N298R160-I294 WeakPolarHBondContact O-CG1 3.28Å; R160-I294 WeakPolarHBondContact O-CG2 3.39Å; S161-I294 VanDerWaalsContact C-CG2 3.49Å; Y162-I294 VanDerWaalsContact N-CG2 3.34Å; S292-I294 PolarHBondContact O-N 3.46Å; I294-K297 HydrophobicContact CD1-CB 4.43Å; I294-K297 PolarHBondContact O-N 2.87Å; I294-N298 WeakPolarHBondContact O-CB 3.48Å; I294-N298 PolarHBondContact O-N 3.43Å; I294-N298 PolarHBondContact O-ND2 3.07Å; I294-N298 VanDerWaalsContact O-ND2 3.08Å; I294-N298 PolarHBondContact O-OD1 3.44Å
295E98.9Very high98.6Very high3 Ų338.3 Ų38.31%0.01421%0.208CC..Hα-helixtrans-60.7-48.5175.2-61.778.4-175.200111.7S161 Y162 M167 E293 N298 I299S161-E295 VanDerWaalsContact CA-OE1 3.27Å; S161-E295 WeakPolarHBondContact CA-OE1 3.32Å; S161-E295 WeakPolarHBondContact CB-OE1 3.45Å; Y162-E295 PolarHBondContact N-OE1 2.76Å; M167-E295 HydrophobicContact CE-CB 3.94Å; M167-E295 HydrophobicContact CE-CG 4.38Å; M167-E295 VanDerWaalsContact SD-CA 3.55Å; M167-E295 HydrophobicContact SD-CB 3.91Å; M167-E295 HydrophobicContact SD-CG 3.95Å; E293-E295 PolarHBondContact O-N 3.32Å; E295-N298 PolarHBondContact O-N 2.78Å; E295-I299 PolarHBondContact O-N 2.82Å
296V98.9Very high98.6Very high1 Ų138.6 Ų38.61%0.00621%0.21CC..Hα-helixtrans-65.3-44.8175.3173.80000110.1P263 N266 W267 E293 N298 I299 V300P263-V296 HydrophobicContact CB-CG2 4.04Å; P263-V296 WeakPolarHBondContact O-CG2 3.2Å; N266-V296 HydrophobicContact CB-CG2 4.4Å; W267-V296 HydrophobicContact CD2-CG1 3.68Å; W267-V296 HydrophobicContact CE3-CG1 3.96Å; W267-V296 HydrophobicContact CG-CG1 4.16Å; W267-V296 HydrophobicContact CH2-CG1 4.26Å; W267-V296 HydrophobicContact CZ2-CG1 3.98Å; W267-V296 HydrophobicContact CZ2-CG2 4.4Å; W267-V296 HydrophobicContact CZ3-CG1 4.24Å; E293-V296 HydrophobicContact CB-CB 4.27Å; E293-V296 HydrophobicContact CB-CG2 4.08Å; E293-V296 PolarHBondContact O-N 3.4Å; E293-V296 VanDerWaalsContact O-N 3.11Å; V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 3.39Å; V296-I299 PolarHBondContact O-N 3.48Å; V296-I299 VanDerWaalsContact O-N 3.12Å; V296-V300 HydrophobicContact CG1-CG2 4.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.1Å; V296-V300 PolarHBondContact O-N 2.93Å
297K98.9Very high98.6Very high74 Ų7441.4 Ų41.432%0.32224%0.24SC..Hα-helixtrans-60.9-37.6-179.3-173.260.4179.1170.60112.6H291 E293 I294 I299 V300 N301H291-K297 HydrophobicContact CB-CD 4.01Å; E293-K297 WeakPolarHBondContact O-CB 3.3Å; E293-K297 PolarHBondContact O-N 3.2Å; I294-K297 HydrophobicContact CD1-CB 4.43Å; I294-K297 PolarHBondContact O-N 2.87Å; K297-I299 VanDerWaalsContact C-N 3.35Å; K297-V300 PolarHBondContact O-N 3.11Å; K297-N301 VanDerWaalsContact CE-OD1 3.26Å; K297-N301 WeakPolarHBondContact CE-OD1 3.31Å; K297-N301 WeakPolarHBondContact O-CB 3.32Å; K297-N301 PolarHBondContact O-N 3.42Å; K297-N301 PolarHBondContact O-ND2 3.11Å; K297-N301 PolarHBondContact O-OD1 3.02Å
298N98.9Very high98.6Very high12 Ų1242.7 Ų42.76%0.06425%0.245CC..Hα-helixtrans-62.1-41.9176.1-68.4-27.5000111.4I158 R160 M167 I294 E295 V296 L302I158-N298 HydrophobicContact CD1-CB 4.21Å; I158-N298 HydrophobicContact CG1-CB 4.31Å; R160-N298 PolarHBondContact N-ND2 3.48Å; R160-N298 PolarHBondContact O-ND2 3.36Å; M167-N298 HydrophobicContact SD-CB 4.12Å; M167-N298 PolarHBondContact SD-ND2 2.96Å; I294-N298 WeakPolarHBondContact O-CB 3.48Å; I294-N298 PolarHBondContact O-N 3.43Å; I294-N298 PolarHBondContact O-ND2 3.07Å; I294-N298 VanDerWaalsContact O-ND2 3.08Å; I294-N298 PolarHBondContact O-OD1 3.44Å; E295-N298 PolarHBondContact O-N 2.78Å; V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 3.39Å; N298-L302 PolarHBondContact O-N 3.38Å; N298-L302 VanDerWaalsContact O-N 3.09Å
299I98.9Very high98.6Very high1 Ų139.1 Ų39.11%0.00522%0.222CC..Hα-helixtrans-65.7-49.3176.5-58.9167.1000110.3I158 W183 L228 W267 E295 V296 K297 N301 L302 V303 F312I158-I299 HydrophobicContact CD1-CG1 4.3Å; W183-I299 HydrophobicContact CH2-CG1 4.23Å; W183-I299 HydrophobicContact CH2-CG2 4.04Å; W183-I299 HydrophobicContact CZ2-CB 4.25Å; W183-I299 HydrophobicContact CZ2-CD1 4.21Å; W183-I299 HydrophobicContact CZ2-CG1 3.88Å; W183-I299 HydrophobicContact CZ2-CG2 3.45Å; W183-I299 VanDerWaalsContact CZ2-CG2 3.45Å; L228-I299 HydrophobicContact CD2-CD1 3.68Å; L228-I299 HydrophobicContact CD2-CG1 3.77Å; W267-I299 HydrophobicContact CH2-CB 3.94Å; W267-I299 HydrophobicContact CH2-CD1 4.18Å; W267-I299 HydrophobicContact CH2-CG2 3.7Å; W267-I299 HydrophobicContact CZ2-CD1 4.3Å; W267-I299 HydrophobicContact CZ3-CG2 4.33Å; E295-I299 PolarHBondContact O-N 2.82Å; V296-I299 PolarHBondContact O-N 3.48Å; V296-I299 VanDerWaalsContact O-N 3.12Å; K297-I299 VanDerWaalsContact C-N 3.35Å; I299-N301 VanDerWaalsContact C-N 3.3Å; I299-N301 PolarHBondContact O-N 3.09Å; I299-L302 PolarHBondContact O-N 3.18Å; I299-L302 VanDerWaalsContact O-N 3.15Å; I299-V303 HydrophobicContact CG2-CG2 4.13Å; I299-V303 WeakPolarHBondContact O-CG2 3.49Å; I299-V303 PolarHBondContact O-N 3.45Å; I299-F312 HydrophobicContact CG2-CE2 4.27Å; I299-F312 HydrophobicContact CG2-CZ 4.44Å
300V98.9Very high98.6Very high1 Ų134.7 Ų34.71%0.00620%0.202CC..Hα-helixtrans-53.5-47.9177169.10000111.1W267 V296 K297 L302 V303 Q304 W377W267-V300 HydrophobicContact CE3-CG2 3.88Å; W267-V300 HydrophobicContact CZ3-CG2 3.65Å; V296-V300 HydrophobicContact CG1-CG2 4.27Å; V296-V300 WeakPolarHBondContact O-CG2 3.1Å; V296-V300 PolarHBondContact O-N 2.93Å; K297-V300 PolarHBondContact O-N 3.11Å; V300-L302 PolarHBondContact O-N 3.11Å; V300-V303 PolarHBondContact O-N 3.32Å; V300-Q304 HydrophobicContact CG1-CG 4.4Å; V300-Q304 WeakPolarHBondContact O-CB 3.37Å; V300-Q304 VanDerWaalsContact O-CG 3.31Å; V300-Q304 WeakPolarHBondContact O-CG 3.46Å; V300-Q304 PolarHBondContact O-N 2.87Å; V300-W377 HydrophobicContact CB-CH2 4.39Å; V300-W377 HydrophobicContact CB-CZ2 4.13Å; V300-W377 HydrophobicContact CG1-CZ2 3.88Å; V300-W377 HydrophobicContact CG2-CH2 4.09Å; V300-W377 HydrophobicContact CG2-CZ2 3.81Å
301N98.8Very high98.6Very high72 Ų7233.6 Ų33.639%0.38519%0.193SC..Hα-helixtrans-61.9-43.4179.7-69.8-15.9000111.9K297 I299 S305K297-N301 VanDerWaalsContact CE-OD1 3.26Å; K297-N301 WeakPolarHBondContact CE-OD1 3.31Å; K297-N301 WeakPolarHBondContact O-CB 3.32Å; K297-N301 PolarHBondContact O-N 3.42Å; K297-N301 PolarHBondContact O-ND2 3.11Å; K297-N301 PolarHBondContact O-OD1 3.02Å; I299-N301 VanDerWaalsContact C-N 3.3Å; I299-N301 PolarHBondContact O-N 3.09Å; N301-S305 WeakPolarHBondContact O-CB 3.41Å; N301-S305 PolarHBondContact O-N 3.15Å; N301-S305 PolarHBondContact O-OG 3Å
302L98.6Very high98.6Very high32 Ų3232.4 Ų32.417%0.16819%0.187CC..Hα-helixtrans-64.4-49.8177.6-17681.6000111.4I158 W183 Y226 N298 I299 V300 Q304 S305 H306I158-L302 HydrophobicContact CG2-CD1 3.99Å; I158-L302 HydrophobicContact CG2-CD2 4.05Å; I158-L302 HydrophobicContact CG2-CG 4.46Å; W183-L302 HydrophobicContact CE3-CD2 4.03Å; W183-L302 HydrophobicContact CH2-CD2 4.11Å; W183-L302 HydrophobicContact CZ3-CD2 3.33Å; Y226-L302 HydrophobicContact CD1-CD2 4.3Å; N298-L302 PolarHBondContact O-N 3.38Å; N298-L302 VanDerWaalsContact O-N 3.09Å; I299-L302 PolarHBondContact O-N 3.18Å; I299-L302 VanDerWaalsContact O-N 3.15Å; V300-L302 PolarHBondContact O-N 3.11Å; L302-Q304 PolarHBondContact O-N 2.98Å; L302-S305 PolarHBondContact O-N 3.42Å; L302-S305 PolarHBondContact O-OG 3.12Å; L302-S305 VanDerWaalsContact O-OG 3.07Å; L302-H306 VanDerWaalsContact O-CB 3.3Å; L302-H306 WeakPolarHBondContact O-CB 3.49Å; L302-H306 PolarHBondContact O-N 3.09Å
303V98.6Very high98.6Very high6 Ų631.1 Ų31.14%0.03618%0.179CC..Hα-helixtrans-61.6-46.2-177.3170.20000111.2W183 I299 V300 H306 G307 F309 F312 W377 I383W183-V303 HydrophobicContact CD2-CG2 4.49Å; I299-V303 HydrophobicContact CG2-CG2 4.13Å; I299-V303 WeakPolarHBondContact O-CG2 3.49Å; I299-V303 PolarHBondContact O-N 3.45Å; V300-V303 PolarHBondContact O-N 3.32Å; V303-H306 PolarHBondContact O-N 3.47Å; V303-G307 PolarHBondContact O-N 2.92Å; V303-F309 HydrophobicContact CB-CD2 4.25Å; V303-F309 HydrophobicContact CB-CE2 4.45Å; V303-F309 HydrophobicContact CG1-CD2 4.06Å; V303-F309 HydrophobicContact CG2-CD2 4.22Å; V303-F309 HydrophobicContact CG2-CE2 4.19Å; V303-F312 HydrophobicContact CG2-CE2 4.23Å; V303-W377 HydrophobicContact CB-CH2 3.88Å; V303-W377 HydrophobicContact CB-CZ3 4.43Å; V303-W377 HydrophobicContact CG1-CH2 3.75Å; V303-W377 HydrophobicContact CG1-CZ3 4.18Å; V303-W377 HydrophobicContact CG2-CH2 4.45Å; V303-I383 HydrophobicContact CG1-CD1 3.62Å
304Q98.1Very high98.6Very high109 Ų10930.8 Ų30.851%0.50918%0.177SC..Hα-helixtrans-68.2-39.7178.9-70-178.1-21.800112.5V300 L302 W377V300-Q304 HydrophobicContact CG1-CG 4.4Å; V300-Q304 WeakPolarHBondContact O-CB 3.37Å; V300-Q304 VanDerWaalsContact O-CG 3.31Å; V300-Q304 WeakPolarHBondContact O-CG 3.46Å; V300-Q304 PolarHBondContact O-N 2.87Å; L302-Q304 PolarHBondContact O-N 2.98Å; Q304-W377 HydrophobicContact CG-CZ2 4.3Å
305S97.9Very high98.6Very high97 Ų9727.6 Ų27.668%0.67816%0.161SC*.Hα-helixtrans-71.3-31178.462.10000113.2N301 L302N301-S305 WeakPolarHBondContact O-CB 3.41Å; N301-S305 PolarHBondContact O-N 3.15Å; N301-S305 PolarHBondContact O-OG 3Å; L302-S305 PolarHBondContact O-N 3.42Å; L302-S305 PolarHBondContact O-OG 3.12Å; L302-S305 VanDerWaalsContact O-OG 3.07Å
306H98.1Very high98.6Very high29 Ų2927.6 Ų27.613%0.13416%0.16CC..Hα-helixtrans-70.4-46.3172.8-173.7-89.3000111.3N178 R179 A181 L302 V303 N308 F309N178-H306 PolarHBondContact OD1-O 2.9Å; R179-H306 PolarHBondContact O-CE1 3.18Å; A181-H306 VanDerWaalsContact CB-CE1 3.47Å; A181-H306 WeakPolarHBondContact CB-CE1 3.49Å; L302-H306 VanDerWaalsContact O-CB 3.3Å; L302-H306 WeakPolarHBondContact O-CB 3.49Å; L302-H306 PolarHBondContact O-N 3.09Å; V303-H306 PolarHBondContact O-N 3.47Å; H306-N308 PolarHBondContact ND1-N 3.32Å; H306-N308 PolarHBondContact O-N 2.96Å; H306-F309 HydrophobicContact CB-CD2 3.88Å; H306-F309 HydrophobicContact CB-CE2 3.49Å; H306-F309 VanDerWaalsContact CB-CE2 3.49Å; H306-F309 HydrophobicContact CB-CZ 4.47Å; H306-F309 AromaticContact CG-CD2 3.92Å; H306-F309 AromaticContact CG-CE2 3.56Å; H306-F309 AromaticContact ND1-CD2 3.62Å; H306-F309 AromaticContact ND1-CE2 3.68Å
307G97.6Very high98.6Very high65 Ų6527.6 Ų27.667%0.6716%0.161SC*.  trans69.7-4.8172.100000116.4V303V303-G307 PolarHBondContact O-N 2.92Å
308N98.1Very high98.6Very high32 Ų3224.4 Ų24.417%0.17115%0.147CC..  trans-125.232.4-178.8-157.212.7000114N178 P180 A181 H306 K310N178-N308 PolarHBondContact O-ND2 2.72Å; N178-N308 WeakPolarHBondContact OD1-CB 3.29Å; P180-N308 WeakPolarHBondContact CA-O 3.42Å; A181-N308 PolarHBondContact N-O 2.96Å; H306-N308 PolarHBondContact ND1-N 3.32Å; H306-N308 PolarHBondContact O-N 2.96Å; N308-K310 WeakPolarHBondContact OD1-CE 3.25Å; N308-K310 PolarHBondContact OD1-NZ 2.95Å
309F98.6Very high98.5Very high10 Ų1024.3 Ų24.34%0.04415%0.147CC..EExtended strand (participates in β ladder)trans-76.2133.8169.6-79.2-77000110.4A181 W183 Y226 V303 H306 I383A181-F309 HydrophobicContact CB-CD1 3.55Å; A181-F309 HydrophobicContact CB-CE1 3.52Å; A181-F309 HydrophobicContact CB-CG 4.26Å; A181-F309 HydrophobicContact CB-CZ 4.23Å; A181-F309 CarbonylContact O-C 3.52Å; A181-F309 WeakPolarHBondContact O-CA 3.42Å; W183-F309 HydrophobicContact CB-CD1 3.7Å; W183-F309 HydrophobicContact CB-CE1 3.67Å; W183-F309 HydrophobicContact CB-CG 4.48Å; W183-F309 HydrophobicContact CB-CZ 4.42Å; W183-F309 HydrophobicContact CE3-CE1 4.37Å; W183-F309 HydrophobicContact CE3-CZ 4.15Å; Y226-F309 HydrophobicContact CD1-CZ 4.34Å; Y226-F309 AromaticContact CD2-CE1 3.82Å; Y226-F309 HydrophobicContact CD2-CE1 3.82Å; Y226-F309 AromaticContact CD2-CZ 3.87Å; Y226-F309 HydrophobicContact CD2-CZ 3.87Å; Y226-F309 HydrophobicContact CE2-CZ 4.33Å; Y226-F309 HydrophobicContact CG-CE1 4.06Å; Y226-F309 AromaticContact CG-CZ 3.88Å; Y226-F309 HydrophobicContact CG-CZ 3.88Å; V303-F309 HydrophobicContact CB-CD2 4.25Å; V303-F309 HydrophobicContact CB-CE2 4.45Å; V303-F309 HydrophobicContact CG1-CD2 4.06Å; V303-F309 HydrophobicContact CG2-CD2 4.22Å; V303-F309 HydrophobicContact CG2-CE2 4.19Å; H306-F309 HydrophobicContact CB-CD2 3.88Å; H306-F309 HydrophobicContact CB-CE2 3.49Å; H306-F309 VanDerWaalsContact CB-CE2 3.49Å; H306-F309 HydrophobicContact CB-CZ 4.47Å; H306-F309 AromaticContact CG-CD2 3.92Å; H306-F309 AromaticContact CG-CE2 3.56Å; H306-F309 AromaticContact ND1-CD2 3.62Å; H306-F309 AromaticContact ND1-CE2 3.68Å; F309-I383 HydrophobicContact CB-CD1 3.75Å; F309-I383 HydrophobicContact CB-CG1 4.28Å
310K98.7Very high98.5Very high34 Ų3425.4 Ų25.415%0.14815%0.152CC..EExtended strand (participates in β ladder)trans-109.2-21.3179.3-58.5-57.4179.1-179.40113P180 A181 M223 N308 Y385 V424 Y429P180-K310 HydrophobicContact CB-CG 3.84Å; A181-K310 PolarHBondContact O-N 3.48Å; M223-K310 HydrophobicContact CE-CB 3.99Å; M223-K310 HydrophobicContact CE-CG 4.21Å; N308-K310 WeakPolarHBondContact OD1-CE 3.25Å; N308-K310 PolarHBondContact OD1-NZ 2.95Å; K310-Y385 VanDerWaalsContact O-CD2 3.3Å; K310-Y385 WeakPolarHBondContact O-CD2 3.2Å; K310-V424 HydrophobicContact CB-CG1 3.7Å; K310-Y429 HydrophobicContact CB-CE1 4.29Å; K310-Y429 HydrophobicContact CD-CE1 4.07Å; K310-Y429 PolarHBondContact NZ-O 3.04Å; K310-Y429 PolarHBondContact O-OH 3.15Å
311S98.8Very high98.4Very high1 Ų125.6 Ų25.61%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-139.2145.2174.4-174.70000110.9W183 Y385W183-S311 PolarHBondContact N-O 3.1Å; S311-Y385 WeakPolarHBondContact CA-O 3.32Å; S311-Y385 WeakPolarHBondContact CB-O 3.43Å; S311-Y385 PolarHBondContact OG-O 2.94Å
312F98.9Very high98.4Very high0 Ų022.1 Ų22.10%014%0.135CC..EExtended strand (participates in β ladder)trans-130.2116.2175.3-169.2-73.1000108.3W183 D185 W267 I299 V303 I375 W377 S378 I383 Y385 S386 F387W183-F312 HydrophobicContact CB-CD2 4.06Å; W183-F312 AromaticContact CD1-CD1 3.91Å; W183-F312 AromaticContact CD1-CD2 3.27Å; W183-F312 AromaticContact CD1-CE1 3.79Å; W183-F312 AromaticContact CD1-CE2 3.14Å; W183-F312 AromaticContact CD1-CG 3.66Å; W183-F312 AromaticContact CD1-CZ 3.41Å; W183-F312 VanDerWaalsContact CD1-CZ 3.41Å; W183-F312 HydrophobicContact CD2-CE2 4.43Å; W183-F312 AromaticContact CG-CD2 3.78Å; W183-F312 HydrophobicContact CG-CD2 3.78Å; W183-F312 AromaticContact CG-CE2 3.83Å; W183-F312 HydrophobicContact CG-CE2 3.83Å; W183-F312 HydrophobicContact CG-CG 4.38Å; W183-F312 HydrophobicContact CG-CZ 4.46Å; W183-F312 AromaticContact NE1-CD2 4Å; W183-F312 AromaticContact NE1-CE1 3.93Å; W183-F312 AromaticContact NE1-CE2 3.36Å; W183-F312 AromaticContact NE1-CZ 3.31Å; W183-F312 VanDerWaalsContact NE1-CZ 3.31Å; D185-F312 VanDerWaalsContact OD2-CE1 3.26Å; D185-F312 WeakPolarHBondContact OD2-CE1 3.25Å; D185-F312 WeakPolarHBondContact OD2-CZ 3.43Å; W267-F312 HydrophobicContact CH2-CZ 4.09Å; I299-F312 HydrophobicContact CG2-CE2 4.27Å; I299-F312 HydrophobicContact CG2-CZ 4.44Å; V303-F312 HydrophobicContact CG2-CE2 4.23Å; F312-I375 HydrophobicContact CD1-CG2 4.24Å; F312-W377 HydrophobicContact CE2-CZ3 4.08Å; F312-S378 WeakPolarHBondContact CB-OG 3.35Å; F312-S378 VanDerWaalsContact CG-CB 3.48Å; F312-I383 HydrophobicContact CB-CD1 4.42Å; F312-I383 HydrophobicContact CB-CG2 3.97Å; F312-I383 HydrophobicContact CD2-CD1 4.32Å; F312-Y385 PolarHBondContact N-O 3.33Å; F312-S386 CarbonylContact O-C 3.51Å; F312-S386 VanDerWaalsContact O-CA 3.28Å; F312-S386 WeakPolarHBondContact O-CA 3.27Å; F312-F387 PolarHBondContact O-N 2.85Å
313I98.9Very high98.4Very high0 Ų021 Ų210%013%0.128CC..EExtended strand (participates in β ladder)trans-120.4114.3-177-55.4174.7000109I182 W183 M184 D185 V315 F387 F389 L417 I420I182-I313 HydrophobicContact CG2-CD1 4.43Å; W183-I313 PolarHBondContact O-N 3.49Å; M184-I313 CarbonylContact C-O 3.51Å; M184-I313 VanDerWaalsContact CA-O 3.23Å; M184-I313 WeakPolarHBondContact CA-O 3.49Å; M184-I313 HydrophobicContact CE-CD1 4.45Å; M184-I313 HydrophobicContact CG-CB 4.4Å; D185-I313 PolarHBondContact N-O 2.94Å; I313-V315 HydrophobicContact CG2-CG2 4.13Å; I313-F387 VanDerWaalsContact CA-O 3.32Å; I313-F387 WeakPolarHBondContact CA-O 3.47Å; I313-F389 HydrophobicContact CG2-CD2 3.86Å; I313-F389 HydrophobicContact CG2-CE2 4Å; I313-L417 HydrophobicContact CD1-CD2 3.97Å; I313-L417 HydrophobicContact CG2-CD2 3.87Å; I313-I420 HydrophobicContact CD1-CG2 4.1Å
314S98.9Very high98.4Very high0 Ų021 Ų210%013%0.128CC..EExtended strand (participates in β ladder)trans-105.9125.3175.3-165.80000109.9D185 H316 F387 A388 F389D185-S314 WeakPolarHBondContact OD1-CB 3.33Å; D185-S314 PolarHBondContact OD1-OG 3.29Å; S314-H316 PolarHBondContact OG-NE2 3.42Å; S314-F387 PolarHBondContact N-O 3.22Å; S314-A388 CarbonylContact O-C 3.56Å; S314-A388 WeakPolarHBondContact O-CA 3.21Å; S314-F389 PolarHBondContact O-N 3.25Å
315V98.9Very high98.5Very high1 Ų115.9 Ų15.91%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-110.7120.8-172.4-174.30000110.7M184 D185 L186 S195 I313 F389 L391M184-V315 HydrophobicContact CG-CG2 4.42Å; D185-V315 PolarHBondContact O-N 2.61Å; L186-V315 HydrophobicContact CB-CB 4.45Å; L186-V315 HydrophobicContact CD2-CB 3.73Å; L186-V315 HydrophobicContact CD2-CG1 3.92Å; L186-V315 HydrophobicContact CD2-CG2 4Å; L186-V315 HydrophobicContact CG-CB 3.84Å; L186-V315 HydrophobicContact CG-CG2 4.1Å; S195-V315 WeakPolarHBondContact CB-O 3.27Å; I313-V315 HydrophobicContact CG2-CG2 4.13Å; V315-F389 HydrophobicContact CG1-CB 4.18Å; V315-L391 HydrophobicContact CG1-CD1 3.6Å; V315-L391 HydrophobicContact CG1-CD2 4.08Å; V315-L391 HydrophobicContact CG1-CG 3.77Å
316H98.9Very high98.5Very high2 Ų212.8 Ų12.81%0.0098%0.077CC..EExtended strand (participates in β ladder)trans-119.5174.7-178.1-67.4-85.3000111.9I188 H189 E192 N264 S314 F389 E390 L391I188-H316 WeakPolarHBondContact CG2-CE1 3.13Å; H189-H316 AromaticContact CE1-CE1 3.36Å; H189-H316 PolarHBondContact CE1-CE1 2.87Å; H189-H316 AromaticContact CE1-ND1 3.58Å; H189-H316 AromaticContact ND1-CE1 3.48Å; H189-H316 PolarHBondContact ND1-CE1 3.25Å; H189-H316 AromaticContact ND1-ND1 3.24Å; H189-H316 PolarHBondContact ND1-ND1 3.15Å; E192-H316 IonicContact OE1-ND1 2.81Å; E192-H316 WeakPolarHBondContact OE2-CA 3.02Å; E192-H316 VanDerWaalsContact OE2-CB 3.24Å; E192-H316 WeakPolarHBondContact OE2-CB 3.46Å; E192-H316 IonicContact OE2-CG 3.77Å; E192-H316 IonicContact OE2-ND1 3.97Å; E192-H316 PolarHBondContact OE2-ND1 2.98Å; N264-H316 PolarHBondContact ND2-CE1 3.1Å; N264-H316 PolarHBondContact ND2-NE2 3.4Å; S314-H316 PolarHBondContact OG-NE2 3.42Å; H316-F389 CarbonylContact C-O 3.58Å; H316-F389 WeakPolarHBondContact CA-O 3.36Å; H316-F389 VanDerWaalsContact CB-O 3.26Å; H316-F389 WeakPolarHBondContact CB-O 3.48Å; H316-F389 PolarHBondContact N-O 3.49Å; H316-E390 VanDerWaalsContact CB-CD 3.47Å; H316-E390 HydrophobicContact CB-CG 4.47Å; H316-E390 VanDerWaalsContact CB-OE2 3.26Å; H316-E390 WeakPolarHBondContact CB-OE2 3.49Å; H316-L391 WeakPolarHBondContact O-CB 3.32Å; H316-L391 VanDerWaalsContact O-CG 3.24Å; H316-L391 WeakPolarHBondContact O-CG 3.43Å; H316-L391 PolarHBondContact O-N 3.47Å
317A98.2Very high98.4Very high1 Ų111.4 Ų11.41%0.0087%0.072CC..EExtended strand (participates in β ladder)trans-145.3150.6161.200000109.1E192 V194 E390 L391 F399E192-A317 HydrophobicContact CB-CB 4.2Å; E192-A317 WeakPolarHBondContact CG-O 3.38Å; E192-A317 PolarHBondContact OE2-N 3.46Å; V194-A317 HydrophobicContact CG1-CB 3.4Å; A317-E390 VanDerWaalsContact CA-OE2 3.24Å; A317-E390 WeakPolarHBondContact CA-OE2 3.36Å; A317-E390 PolarHBondContact N-OE2 3.33Å; A317-L391 HydrophobicContact CB-CB 4.12Å; A317-F399 WeakPolarHBondContact O-CE1 3.43Å
318Y98.2Very high98.4Very high7 Ų711.2 Ų11.23%0.0275%0.051CC..SBendcis-128.9161.95.664.7-84000109.4W63 R64 D74 E390 L391 F399W63-Y318 HydrophobicContact CB-CE1 4.09Å; W63-Y318 VanDerWaalsContact CB-OH 3.23Å; W63-Y318 WeakPolarHBondContact CB-OH 3.31Å; W63-Y318 AromaticContact CE3-CE1 3.96Å; W63-Y318 HydrophobicContact CE3-CE1 3.96Å; R64-Y318 HydrophobicContact CG-CE2 4.27Å; D74-Y318 WeakPolarHBondContact CB-OH 3.38Å; D74-Y318 PolarHBondContact OD2-OH 3.33Å; D74-Y318 VanDerWaalsContact OD2-OH 3.13Å; Y318-E390 PolarHBondContact N-OE2 2.95Å; Y318-L391 WeakPolarHBondContact CA-O 3.46Å; Y318-F399 AromaticContact CD1-CD1 3.62Å; Y318-F399 HydrophobicContact CD1-CD1 3.62Å; Y318-F399 AromaticContact CD1-CE1 3.45Å; Y318-F399 HydrophobicContact CD1-CE1 3.45Å; Y318-F399 VanDerWaalsContact CD1-CE1 3.45Å; Y318-F399 HydrophobicContact CD1-CE2 4.47Å; Y318-F399 HydrophobicContact CD1-CG 4.2Å; Y318-F399 AromaticContact CD1-CZ 3.9Å; Y318-F399 HydrophobicContact CD1-CZ 3.9Å; Y318-F399 AromaticContact CE1-CD1 4Å; Y318-F399 HydrophobicContact CE1-CD1 4Å; Y318-F399 HydrophobicContact CE1-CD2 4.21Å; Y318-F399 AromaticContact CE1-CE1 3.66Å; Y318-F399 HydrophobicContact CE1-CE1 3.66Å; Y318-F399 AromaticContact CE1-CE2 3.89Å; Y318-F399 HydrophobicContact CE1-CE2 3.89Å; Y318-F399 HydrophobicContact CE1-CG 4.25Å; Y318-F399 AromaticContact CE1-CZ 3.58Å; Y318-F399 HydrophobicContact CE1-CZ 3.58Å
319S97.3Very high98.3Very high11 Ų1111.1 Ų11.18%0.0775%0.051CC..SBendtrans165.3-6.3161-83.10000112.2L391 D393S319-L391 PolarHBondContact N-O 2.97Å; S319-D393 CarbonylContact C-O 3.59Å; S319-D393 WeakPolarHBondContact CA-O 3.46Å; S319-D393 PolarHBondContact N-O 3.15Å; S319-D393 VanDerWaalsContact N-O 3.14Å
320Q98.5Very high98.1Very high23 Ų2313.4 Ų13.411%0.1077%0.068CC..  trans5861.1-171.5-61.1176-173.200112T356 T357 Y358 K359 E390 L391 R392 T394Q320-T356 HydrophobicContact CG-CG2 4.29Å; Q320-T357 WeakPolarHBondContact CB-O 3.48Å; Q320-T357 PolarHBondContact NE2-O 3.01Å; Q320-Y358 HydrophobicContact CB-CD1 4.25Å; Q320-Y358 HydrophobicContact CB-CD2 3.73Å; Q320-Y358 HydrophobicContact CB-CE1 4.26Å; Q320-Y358 HydrophobicContact CB-CE2 3.75Å; Q320-Y358 HydrophobicContact CB-CG 3.97Å; Q320-Y358 HydrophobicContact CG-CD2 4.22Å; Q320-Y358 HydrophobicContact CG-CE2 3.77Å; Q320-Y358 CarbonylContact O-C 3.57Å; Q320-Y358 WeakPolarHBondContact O-CA 3.21Å; Q320-K359 PolarHBondContact O-N 3.3Å; Q320-E390 CarbonylContact C-O 3.42Å; Q320-E390 WeakPolarHBondContact CA-O 3.32Å; Q320-E390 PolarHBondContact N-O 3.19Å; Q320-L391 PolarHBondContact N-O 2.98Å; Q320-L391 VanDerWaalsContact N-O 3.07Å; Q320-R392 HydrophobicContact CG-CG 4.46Å; Q320-T394 HydrophobicContact CB-CG2 4.24Å; Q320-T394 HydrophobicContact CG-CG2 4.07Å
321L98.4Very high98Very high5 Ų519.2 Ų19.23%0.0269%0.093CC..EExtended strand (participates in β ladder)trans-121.3143.5177.8-50.5176.4000110.4M323 K359 I366 I367 F389 E390L321-M323 HydrophobicContact CB-CE 4.49Å; L321-M323 HydrophobicContact CB-CG 3.95Å; L321-M323 HydrophobicContact CB-SD 4.19Å; L321-M323 HydrophobicContact CD1-SD 3.94Å; L321-K359 WeakPolarHBondContact CA-O 3.31Å; L321-K359 HydrophobicContact CD2-CB 3.72Å; L321-K359 HydrophobicContact CD2-CD 4.36Å; L321-K359 HydrophobicContact CD2-CG 4.35Å; L321-I366 HydrophobicContact CB-CD1 4.34Å; L321-I366 HydrophobicContact CD2-CD1 4.36Å; L321-I367 HydrophobicContact CD1-CB 4.15Å; L321-I367 HydrophobicContact CD1-CD1 4.06Å; L321-I367 HydrophobicContact CD1-CG1 3.98Å; L321-F389 CarbonylContact O-C 3.6Å; L321-F389 WeakPolarHBondContact O-CA 3.3Å; L321-E390 HydrophobicContact CB-CB 3.9Å; L321-E390 HydrophobicContact CB-CG 4.21Å; L321-E390 HydrophobicContact CD1-CB 4.47Å; L321-E390 HydrophobicContact CD1-CG 4.22Å; L321-E390 HydrophobicContact CG-CB 4.17Å; L321-E390 HydrophobicContact CG-CG 4.43Å; L321-E390 PolarHBondContact N-O 2.88Å; L321-E390 PolarHBondContact O-N 3.37Å
322L98.8Very high97.8Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-119.3110.1161.7175.856.8000108.2G343 A346 V347 K359 V360 G361 F387 F389 I420L322-G343 WeakPolarHBondContact CD2-O 3.38Å; L322-A346 HydrophobicContact CD2-CB 3.97Å; L322-V347 HydrophobicContact CB-CG2 3.86Å; L322-V347 HydrophobicContact CD2-CG2 3.9Å; L322-K359 PolarHBondContact N-O 2.72Å; L322-V360 HydrophobicContact CB-CG2 4.33Å; L322-V360 VanDerWaalsContact O-CA 3.3Å; L322-V360 WeakPolarHBondContact O-CA 3.26Å; L322-G361 PolarHBondContact O-N 3.29Å; L322-F387 HydrophobicContact CD1-CB 4.09Å; L322-F387 HydrophobicContact CD1-CD1 4.1Å; L322-F387 HydrophobicContact CD1-CG 4.42Å; L322-F387 HydrophobicContact CG-CD1 4.47Å; L322-F389 HydrophobicContact CB-CE1 4.47Å; L322-F389 HydrophobicContact CD1-CD1 4.05Å; L322-F389 HydrophobicContact CD1-CD2 3.72Å; L322-F389 HydrophobicContact CD1-CE1 3.81Å; L322-F389 HydrophobicContact CD1-CE2 3.45Å; L322-F389 VanDerWaalsContact CD1-CE2 3.45Å; L322-F389 HydrophobicContact CD1-CG 4.01Å; L322-F389 HydrophobicContact CD1-CZ 3.5Å; L322-F389 HydrophobicContact CD2-CE1 4.22Å; L322-F389 HydrophobicContact CD2-CZ 4.01Å; L322-F389 HydrophobicContact CG-CE1 4.39Å; L322-F389 HydrophobicContact CG-CZ 4.32Å; L322-I420 HydrophobicContact CD2-CD1 4.43Å
323M98.6Very high97.7Very high7 Ų722.8 Ų22.83%0.03412%0.119CC..EExtended strand (participates in β ladder)trans-111.4156.1-169.6-60.7173.4-65.100111.6L321 G361 I363 I366 I367 F387 A388 E390L321-M323 HydrophobicContact CB-CE 4.49Å; L321-M323 HydrophobicContact CB-CG 3.95Å; L321-M323 HydrophobicContact CB-SD 4.19Å; L321-M323 HydrophobicContact CD1-SD 3.94Å; M323-G361 VanDerWaalsContact CA-O 3.26Å; M323-G361 WeakPolarHBondContact CA-O 3.45Å; M323-I363 HydrophobicContact CB-CG1 3.75Å; M323-I363 HydrophobicContact CG-CG1 4.42Å; M323-I363 HydrophobicContact SD-CG1 4.21Å; M323-I366 HydrophobicContact CG-CD1 3.55Å; M323-I366 HydrophobicContact CG-CG1 3.95Å; M323-I366 HydrophobicContact SD-CG1 4.46Å; M323-I367 HydrophobicContact SD-CB 4.16Å; M323-I367 HydrophobicContact SD-CD1 4.45Å; M323-I367 HydrophobicContact SD-CG2 4.05Å; M323-F387 CarbonylContact O-C 3.58Å; M323-F387 VanDerWaalsContact O-CA 3.27Å; M323-F387 WeakPolarHBondContact O-CA 3.43Å; M323-A388 HydrophobicContact CB-CB 4.4Å; M323-A388 HydrophobicContact CE-CB 3.91Å; M323-A388 PolarHBondContact N-O 3.06Å; M323-A388 PolarHBondContact O-N 3.42Å; M323-E390 HydrophobicContact CE-CG 3.57Å
324Y98.8Very high97.7Very high8 Ų827.6 Ų27.63%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-139.2165.1170.153-100.5000109.9Q336 L339 D340 V360 G361 N362 I363 F387Y324-Q336 HydrophobicContact CE2-CG 3.94Å; Y324-L339 HydrophobicContact CD1-CB 4.11Å; Y324-L339 HydrophobicContact CD2-CB 4.05Å; Y324-L339 HydrophobicContact CD2-CD1 4.33Å; Y324-L339 HydrophobicContact CG-CB 3.81Å; Y324-L339 HydrophobicContact CG-CD1 4.47Å; Y324-D340 HydrophobicContact CE1-CB 3.98Å; Y324-D340 WeakPolarHBondContact OH-CB 3.29Å; Y324-D340 PolarHBondContact OH-OD1 3.14Å; Y324-V360 HydrophobicContact CE1-CG1 4.05Å; Y324-G361 VanDerWaalsContact CE1-C 3.49Å; Y324-G361 VanDerWaalsContact CZ-C 3.41Å; Y324-G361 PolarHBondContact N-O 3.07Å; Y324-G361 VanDerWaalsContact N-O 3.17Å; Y324-G361 WeakPolarHBondContact OH-CA 3.19Å; Y324-N362 HydrophobicContact CE2-CB 4.04Å; Y324-N362 WeakPolarHBondContact O-CA 3.18Å; Y324-I363 PolarHBondContact O-N 3Å; Y324-I363 VanDerWaalsContact O-N 3.07Å; Y324-F387 HydrophobicContact CD1-CE1 4.27Å
325P98.6Very high97.6Very high0 Ų030 Ų300%017%0.171CC..SBendtrans-57.2158.9-176.9-28.836.2000114.9N362 I375 Y379 S386P325-N362 PolarHBondContact O-ND2 2.89Å; P325-N362 VanDerWaalsContact O-ND2 3.11Å; P325-I375 HydrophobicContact CG-CD1 4.26Å; P325-I375 HydrophobicContact CG-CG1 4.18Å; P325-I375 VanDerWaalsContact CG-O 3.31Å; P325-I375 WeakPolarHBondContact CG-O 3.46Å; P325-Y379 HydrophobicContact CB-CD1 4.23Å; P325-Y379 HydrophobicContact CB-CG 4.18Å; P325-Y379 HydrophobicContact CG-CD1 4.47Å; P325-Y379 HydrophobicContact CG-CD2 4.37Å; P325-Y379 HydrophobicContact CG-CG 3.92Å; P325-S386 VanDerWaalsContact CD-O 3.22Å; P325-S386 WeakPolarHBondContact CD-O 3.43Å
326Y98.3Very high97.6Very high32 Ų3232.6 Ų32.613%0.12518%0.183CC..  cis-95.1153.7-6.8-67.7-74.8000114.8Y328 T329 A333 N362 C364 D376 Y379 D380Y326-Y328 HydrophobicContact CD1-CD1 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.39Å; Y326-Y328 HydrophobicContact CD1-CE1 3.39Å; Y326-Y328 AromaticContact CD1-CZ 3.84Å; Y326-Y328 AromaticContact CE1-CE1 3.73Å; Y326-Y328 HydrophobicContact CE1-CE1 3.73Å; Y326-Y328 AromaticContact CE1-CZ 3.99Å; Y326-Y328 HydrophobicContact CG-CE1 4.27Å; Y326-T329 CarbonylContact C-O 3.56Å; Y326-T329 VanDerWaalsContact CB-O 3.25Å; Y326-T329 WeakPolarHBondContact CB-O 3.34Å; Y326-T329 HydrophobicContact CD2-CG2 4.07Å; Y326-T329 HydrophobicContact CG-CG2 3.87Å; Y326-A333 HydrophobicContact CD2-CB 4.27Å; Y326-A333 HydrophobicContact CE2-CB 4.09Å; Y326-N362 PolarHBondContact N-ND2 2.68Å; Y326-N362 PolarHBondContact O-ND2 3.12Å; Y326-N362 PolarHBondContact O-OD1 3.31Å; Y326-C364 PolarHBondContact O-N 2.96Å; Y326-C364 VanDerWaalsContact O-N 3.15Å; Y326-D376 VanDerWaalsContact CA-OD1 3.23Å; Y326-D376 WeakPolarHBondContact CA-OD1 3.1Å; Y326-D376 HydrophobicContact CD1-CB 4.24Å; Y326-Y379 AromaticContact CE1-CD1 3.82Å; Y326-Y379 HydrophobicContact CE1-CD1 3.82Å; Y326-Y379 HydrophobicContact CE1-CE1 4.42Å; Y326-Y379 HydrophobicContact CE2-CD1 4.3Å; Y326-Y379 HydrophobicContact CE2-CE1 4.11Å; Y326-Y379 AromaticContact CZ-CD1 3.55Å; Y326-Y379 AromaticContact CZ-CE1 3.7Å; Y326-Y379 VanDerWaalsContact OH-CD1 3.31Å; Y326-Y379 WeakPolarHBondContact OH-CD1 3.4Å; Y326-Y379 WeakPolarHBondContact OH-CE1 3.24Å; Y326-D380 WeakPolarHBondContact CE1-OD1 3.1Å; Y326-D380 VanDerWaalsContact CZ-OD1 3.3Å; Y326-D380 PolarHBondContact OH-OD1 3.08Å
327G97.2Very high97.6Very high1 Ų136.4 Ų36.41%0.0122%0.216CC..SBendtrans-97.2-43.3165.100000113.1T329 Q369 A370 D376G327-T329 PolarHBondContact O-N 3.04Å; G327-Q369 CarbonylContact O-C 3.15Å; G327-Q369 WeakPolarHBondContact O-CA 3.41Å; G327-Q369 WeakPolarHBondContact O-CG 3.31Å; G327-A370 CarbonylContact C-O 3.6Å; G327-A370 PolarHBondContact O-N 3.46Å; G327-D376 VanDerWaalsContact CA-OD2 3.26Å; G327-D376 WeakPolarHBondContact CA-OD2 3.21Å; G327-D376 PolarHBondContact N-OD1 3.07Å; G327-D376 PolarHBondContact N-OD2 3.47Å
328Y96.8Very high97.6Very high60 Ų6038.7 Ų38.724%0.23523%0.226CC..SBendtrans-69.7-18.7-176.572.1-102.6000113A269 Y326 Q369 A370 D376 D380A269-Y328 HydrophobicContact CB-CD1 4.11Å; A269-Y328 HydrophobicContact CB-CE1 4.18Å; Y326-Y328 HydrophobicContact CD1-CD1 4.08Å; Y326-Y328 AromaticContact CD1-CE1 3.39Å; Y326-Y328 HydrophobicContact CD1-CE1 3.39Å; Y326-Y328 AromaticContact CD1-CZ 3.84Å; Y326-Y328 AromaticContact CE1-CE1 3.73Å; Y326-Y328 HydrophobicContact CE1-CE1 3.73Å; Y326-Y328 AromaticContact CE1-CZ 3.99Å; Y326-Y328 HydrophobicContact CG-CE1 4.27Å; Y328-Q369 PolarHBondContact O-NE2 3.22Å; Y328-A370 WeakPolarHBondContact CA-O 2.91Å; Y328-A370 PolarHBondContact N-O 2.97Å; Y328-D376 HydrophobicContact CD1-CB 3.76Å; Y328-D376 WeakPolarHBondContact CD1-OD2 3.41Å; Y328-D376 HydrophobicContact CE1-CB 3.99Å; Y328-D376 PolarHBondContact N-OD2 3.07Å; Y328-D380 WeakPolarHBondContact CE1-OD2 3.25Å; Y328-D380 PolarHBondContact OH-OD2 3.48Å; Y328-D380 VanDerWaalsContact OH-OD2 3.07Å
329T96.1Very high97.6Very high30 Ų3038.3 Ų38.318%0.18423%0.225CC..  trans-139.6149.9174.5-171.30000110.1Y326 G327 K331Y326-T329 CarbonylContact C-O 3.56Å; Y326-T329 VanDerWaalsContact CB-O 3.25Å; Y326-T329 WeakPolarHBondContact CB-O 3.34Å; Y326-T329 HydrophobicContact CD2-CG2 4.07Å; Y326-T329 HydrophobicContact CG-CG2 3.87Å; G327-T329 PolarHBondContact O-N 3.04Å; T329-K331 HydrophobicContact CG2-CB 4.04Å; T329-K331 PolarHBondContact O-N 3.34Å; T329-K331 PolarHBondContact OG1-N 3.5Å
330C94.5Very high97.7Very high59 Ų5939.5 Ų39.540%0.39923%0.23SC..  trans-92.311.5177.3-37.40000111.6C364C330-C364 HydrophobicContact CB-CB 3.7Å; C330-C364 WeakPolarHBondContact CB-SG 3.17Å; C330-C364 WeakPolarHBondContact SG-CB 3.34Å; C330-C364 CovalentContact SG-SG 2.03Å; C330-C364 PolarHBondContact SG-SG 2.87Å
331K95.3Very high97.7Very high155 Ų15545.4 Ų45.467%0.67425%0.252SS*.SBendtrans-70.6141.7168.9-68.6-180-178.7178.30109.3T329T329-K331 HydrophobicContact CG2-CB 4.04Å; T329-K331 PolarHBondContact O-N 3.34Å; T329-K331 PolarHBondContact OG1-N 3.5Å
332S95.9Very high97.7Very high72 Ų7245.1 Ų45.150%0.50325%0.251SS..PPolyproline II helixtrans-63.4135.6173.8-63.80000111.7Q336S332-Q336 PolarHBondContact OG-NE2 2.96Å; S332-Q336 PolarHBondContact OG-OE1 2.75Å
333A96.9Very high97.7Very high5 Ų545.1 Ų45.14%0.04125%0.251CS..PPolyproline II helixtrans-60.1151.1163.400000110.4Y326 D335 Q336 L339 Y379Y326-A333 HydrophobicContact CD2-CB 4.27Å; Y326-A333 HydrophobicContact CE2-CB 4.09Å; A333-D335 PolarHBondContact O-N 2.86Å; A333-Q336 VanDerWaalsContact O-CB 3.29Å; A333-Q336 WeakPolarHBondContact O-CB 3.42Å; A333-Q336 PolarHBondContact O-N 2.78Å; A333-Q336 VanDerWaalsContact O-N 3.11Å; A333-L339 HydrophobicContact CB-CD1 4.39Å; A333-Y379 HydrophobicContact CB-CE1 3.82Å
334A98Very high97.7Very high100 Ų10050.7 Ų50.783%0.82627%0.271SS*.THydrogen-bonded Turntrans-59.3-35.6-179.600000111.7Y379A334-Y379 PolarHBondContact N-OH 3.39Å
335D98.3Very high97.7Very high50 Ų5051 Ų5127%0.26728%0.275SS..THydrogen-bonded Turntrans-95.116.2-179.1-53.7-80.2000113.5A333 A337 E338 L339 Y379 K384A333-D335 PolarHBondContact O-N 2.86Å; D335-A337 VanDerWaalsContact C-N 3.27Å; D335-A337 PolarHBondContact O-N 3.19Å; D335-A337 VanDerWaalsContact O-N 3.12Å; D335-E338 PolarHBondContact O-N 3.12Å; D335-L339 HydrophobicContact CB-CD1 4.25Å; D335-L339 HydrophobicContact CB-CG 4.27Å; D335-L339 WeakPolarHBondContact O-CG 3.39Å; D335-L339 PolarHBondContact O-N 2.58Å; D335-Y379 PolarHBondContact N-OH 3.42Å; D335-Y379 PolarHBondContact OD2-OH 3.32Å; D335-K384 HydrophobicContact CB-CG 4.2Å; D335-K384 WeakPolarHBondContact OD1-CE 3.23Å; D335-K384 IonicContact OD1-NZ 2.61Å
336Q97.9Very high97.7Very high56 Ų5651 Ų5126%0.26228%0.275SS..Hα-helixtrans-50.6-43.8-172176.5177.5-71.300113.4Y324 S332 A333 E338 L339 D340Y324-Q336 HydrophobicContact CE2-CG 3.94Å; S332-Q336 PolarHBondContact OG-NE2 2.96Å; S332-Q336 PolarHBondContact OG-OE1 2.75Å; A333-Q336 VanDerWaalsContact O-CB 3.29Å; A333-Q336 WeakPolarHBondContact O-CB 3.42Å; A333-Q336 PolarHBondContact O-N 2.78Å; A333-Q336 VanDerWaalsContact O-N 3.11Å; Q336-E338 VanDerWaalsContact C-N 3.27Å; Q336-E338 PolarHBondContact O-N 2.71Å; Q336-L339 PolarHBondContact O-N 3.02Å; Q336-D340 VanDerWaalsContact O-CB 3.27Å; Q336-D340 WeakPolarHBondContact O-CB 3.25Å; Q336-D340 PolarHBondContact O-N 2.87Å
337A98.4Very high97.8Very high83 Ų8350 Ų5069%0.68627%0.273SS*.Hα-helixtrans-61.9-37.2-177.600000112.2D335 Y341D335-A337 VanDerWaalsContact C-N 3.27Å; D335-A337 PolarHBondContact O-N 3.19Å; D335-A337 VanDerWaalsContact O-N 3.12Å; A337-Y341 WeakPolarHBondContact O-CB 3.48Å; A337-Y341 PolarHBondContact O-N 3.25Å; A337-Y341 VanDerWaalsContact O-N 3.13Å
338E98.7Very high97.8Very high48 Ų4856.6 Ų56.622%0.22430%0.303CS..Hα-helixtrans-77.1-43178.3-174.3169.7-178.800111.6D335 Q336 D340 Y341 V342 K384 Y385 Y423D335-E338 PolarHBondContact O-N 3.12Å; Q336-E338 VanDerWaalsContact C-N 3.27Å; Q336-E338 PolarHBondContact O-N 2.71Å; E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.34Å; E338-Y341 PolarHBondContact O-N 2.68Å; E338-V342 HydrophobicContact CG-CG2 4.47Å; E338-V342 VanDerWaalsContact O-CG2 3.3Å; E338-V342 WeakPolarHBondContact O-CG2 3.42Å; E338-V342 PolarHBondContact O-N 3.47Å; E338-K384 VanDerWaalsContact CD-NZ 3.28Å; E338-K384 IonicContact OE1-NZ 2.95Å; E338-K384 PolarHBondContact OE1-NZ 3.49Å; E338-K384 WeakPolarHBondContact OE2-CE 3.41Å; E338-K384 IonicContact OE2-NZ 3.84Å; E338-K384 PolarHBondContact OE2-NZ 2.91Å; E338-Y385 PolarHBondContact OE1-OH 2.95Å; E338-Y423 HydrophobicContact CG-CE1 4.22Å; E338-Y423 WeakPolarHBondContact CG-OH 3.07Å; E338-Y423 VanDerWaalsContact OE1-CE1 3.28Å; E338-Y423 WeakPolarHBondContact OE1-CE1 3.4Å; E338-Y423 PolarHBondContact OE1-OH 3.24Å
339L98.8Very high97.9Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-60.2-41.8176.1-64.8171.2000111.8Y324 A333 D335 Q336 G343 Y379 K384 Y385 F387Y324-L339 HydrophobicContact CD1-CB 4.11Å; Y324-L339 HydrophobicContact CD2-CB 4.05Å; Y324-L339 HydrophobicContact CD2-CD1 4.33Å; Y324-L339 HydrophobicContact CG-CB 3.81Å; Y324-L339 HydrophobicContact CG-CD1 4.47Å; A333-L339 HydrophobicContact CB-CD1 4.39Å; D335-L339 HydrophobicContact CB-CD1 4.25Å; D335-L339 HydrophobicContact CB-CG 4.27Å; D335-L339 WeakPolarHBondContact O-CG 3.39Å; D335-L339 PolarHBondContact O-N 2.58Å; Q336-L339 PolarHBondContact O-N 3.02Å; L339-G343 PolarHBondContact O-N 3Å; L339-Y379 HydrophobicContact CD1-CE2 4.17Å; L339-K384 WeakPolarHBondContact CD2-O 3.17Å; L339-Y385 HydrophobicContact CD2-CD1 4.25Å; L339-F387 HydrophobicContact CB-CE1 4.39Å; L339-F387 HydrophobicContact CB-CZ 4.38Å; L339-F387 HydrophobicContact CD2-CE1 4.31Å; L339-F387 HydrophobicContact CD2-CE2 4.14Å; L339-F387 HydrophobicContact CD2-CZ 3.71Å
340D98.7Very high98.1Very high35 Ų3557.5 Ų57.519%0.18731%0.306CS..Hα-helixtrans-65.3-43.2175.2-175.274.9000111.8Y324 Q336 E338 G343 R344Y324-D340 HydrophobicContact CE1-CB 3.98Å; Y324-D340 WeakPolarHBondContact OH-CB 3.29Å; Y324-D340 PolarHBondContact OH-OD1 3.14Å; Q336-D340 VanDerWaalsContact O-CB 3.27Å; Q336-D340 WeakPolarHBondContact O-CB 3.25Å; Q336-D340 PolarHBondContact O-N 2.87Å; E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.34Å; D340-G343 PolarHBondContact O-N 2.83Å; D340-R344 VanDerWaalsContact CG-NE 3.25Å; D340-R344 WeakPolarHBondContact O-CB 3.46Å; D340-R344 VanDerWaalsContact O-CG 3.26Å; D340-R344 WeakPolarHBondContact O-CG 3.46Å; D340-R344 PolarHBondContact O-N 2.91Å; D340-R344 IonicContact OD1-CZ 3.84Å; D340-R344 IonicContact OD1-NE 2.74Å; D340-R344 PolarHBondContact OD1-NE 3.47Å; D340-R344 VanDerWaalsContact OD1-NE 3.1Å; D340-R344 IonicContact OD1-NH2 3.58Å; D340-R344 PolarHBondContact OD1-NH2 3.14Å; D340-R344 WeakPolarHBondContact OD2-CD 3.4Å; D340-R344 IonicContact OD2-CZ 3.81Å; D340-R344 IonicContact OD2-NE 2.77Å; D340-R344 PolarHBondContact OD2-NE 3.5Å; D340-R344 IonicContact OD2-NH2 2.76Å
341Y98.7Very high98.3Very high147 Ų14756.8 Ų56.858%0.57630%0.3SS*.Hα-helixtrans-58.6-50.9175.5172.4-99.2000111.8A337 E338 R344 A345 Y423A337-Y341 WeakPolarHBondContact O-CB 3.48Å; A337-Y341 PolarHBondContact O-N 3.25Å; A337-Y341 VanDerWaalsContact O-N 3.13Å; E338-Y341 PolarHBondContact O-N 2.68Å; Y341-R344 PolarHBondContact O-N 3.19Å; Y341-A345 WeakPolarHBondContact O-CB 3.4Å; Y341-A345 PolarHBondContact O-N 2.03Å; Y341-Y423 HydrophobicContact CD1-CE2 4.21Å; Y341-Y423 AromaticContact CE1-CE2 3.96Å; Y341-Y423 HydrophobicContact CE1-CE2 3.96Å
342V98.8Very high98.4Very high0 Ų053.7 Ų53.70%030%0.298CS..Hα-helixtrans-62-46.3178.5175.10000110.7E338 R344 A345 A346 F387 I420 Y423E338-V342 HydrophobicContact CG-CG2 4.47Å; E338-V342 VanDerWaalsContact O-CG2 3.3Å; E338-V342 WeakPolarHBondContact O-CG2 3.42Å; E338-V342 PolarHBondContact O-N 3.47Å; V342-R344 PolarHBondContact O-N 3.37Å; V342-A345 PolarHBondContact O-N 3.22Å; V342-A346 WeakPolarHBondContact O-CB 3.34Å; V342-A346 PolarHBondContact O-N 2.67Å; V342-F387 HydrophobicContact CB-CZ 4.12Å; V342-F387 HydrophobicContact CG1-CE2 4.23Å; V342-F387 HydrophobicContact CG1-CZ 3.92Å; V342-I420 HydrophobicContact CG1-CG1 4.08Å; V342-Y423 HydrophobicContact CG1-CD1 4.45Å; V342-Y423 HydrophobicContact CG1-CG 4.32Å; V342-Y423 HydrophobicContact CG2-CD1 3.43Å; V342-Y423 VanDerWaalsContact CG2-CD1 3.43Å; V342-Y423 HydrophobicContact CG2-CD2 3.75Å; V342-Y423 HydrophobicContact CG2-CE1 3.41Å; V342-Y423 VanDerWaalsContact CG2-CE1 3.41Å; V342-Y423 HydrophobicContact CG2-CE2 3.73Å; V342-Y423 HydrophobicContact CG2-CG 3.6Å
343G98.8Very high98.5Very high0 Ų053.8 Ų53.80%029%0.292CS..Hα-helixtrans-61.8-44.7179.600000112.7L322 L339 D340 A346 V347L322-G343 WeakPolarHBondContact CD2-O 3.38Å; L339-G343 PolarHBondContact O-N 3Å; D340-G343 PolarHBondContact O-N 2.83Å; G343-A346 PolarHBondContact O-N 3.05Å; G343-V347 PolarHBondContact O-N 3.24Å
344R98.8Very high98.6Very high123 Ų12359.1 Ų59.146%0.46431%0.312SS..Hα-helixtrans-64.3-42.7177.1-73.1-179.8-168.2-69.3-20.7112D340 Y341 V342 A346 V347 Q348 V360D340-R344 VanDerWaalsContact CG-NE 3.25Å; D340-R344 WeakPolarHBondContact O-CB 3.46Å; D340-R344 VanDerWaalsContact O-CG 3.26Å; D340-R344 WeakPolarHBondContact O-CG 3.46Å; D340-R344 PolarHBondContact O-N 2.91Å; D340-R344 IonicContact OD1-CZ 3.84Å; D340-R344 IonicContact OD1-NE 2.74Å; D340-R344 PolarHBondContact OD1-NE 3.47Å; D340-R344 VanDerWaalsContact OD1-NE 3.1Å; D340-R344 IonicContact OD1-NH2 3.58Å; D340-R344 PolarHBondContact OD1-NH2 3.14Å; D340-R344 WeakPolarHBondContact OD2-CD 3.4Å; D340-R344 IonicContact OD2-CZ 3.81Å; D340-R344 IonicContact OD2-NE 2.77Å; D340-R344 PolarHBondContact OD2-NE 3.5Å; D340-R344 IonicContact OD2-NH2 2.76Å; Y341-R344 PolarHBondContact O-N 3.19Å; V342-R344 PolarHBondContact O-N 3.37Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-V347 PolarHBondContact O-N 2.91Å; R344-Q348 VanDerWaalsContact O-CG 3.31Å; R344-Q348 WeakPolarHBondContact O-CG 3.35Å; R344-Q348 PolarHBondContact O-N 3Å; R344-V360 HydrophobicContact CG-CB 4.15Å; R344-V360 HydrophobicContact CG-CG1 4.1Å; R344-V360 HydrophobicContact CG-CG2 4.36Å
345A98.8Very high98.6Very high14 Ų1456.7 Ų56.712%0.11630%0.296CS..Hα-helixtrans-64.9-39.5176.700000111.5Y341 V342 Q348 K349 H419Y341-A345 WeakPolarHBondContact O-CB 3.4Å; Y341-A345 PolarHBondContact O-N 2.03Å; V342-A345 PolarHBondContact O-N 3.22Å; A345-Q348 WeakPolarHBondContact O-CB 3.36Å; A345-Q348 PolarHBondContact O-N 3.07Å; A345-K349 WeakPolarHBondContact O-CG 3.29Å; A345-K349 PolarHBondContact O-N 2.84Å; A345-H419 WeakPolarHBondContact CB-NE2 3.27Å
346A98.9Very high98.7Very high0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-62.4-46174.500000112L322 V342 G343 R344 Q348 K349 L350 A416 H419 I420L322-A346 HydrophobicContact CD2-CB 3.97Å; V342-A346 WeakPolarHBondContact O-CB 3.34Å; V342-A346 PolarHBondContact O-N 2.67Å; G343-A346 PolarHBondContact O-N 3.05Å; R344-A346 VanDerWaalsContact C-N 3.34Å; A346-Q348 VanDerWaalsContact C-N 3.33Å; A346-Q348 PolarHBondContact O-N 2.66Å; A346-K349 WeakPolarHBondContact O-CB 3.48Å; A346-K349 PolarHBondContact O-N 2.8Å; A346-K349 VanDerWaalsContact O-N 3.11Å; A346-L350 PolarHBondContact O-N 2.81Å; A346-A416 HydrophobicContact CB-CB 3.96Å; A346-A416 WeakPolarHBondContact O-CB 3.19Å; A346-H419 HydrophobicContact CB-CB 4.42Å; A346-H419 PolarHBondContact N-CD2 3.08Å; A346-I420 HydrophobicContact CB-CD1 4.18Å; A346-I420 HydrophobicContact CB-CG1 3.88Å
347V98.8Very high98.7Very high13 Ų1357.1 Ų57.18%0.07931%0.305CS..Hα-helixtrans-64-36.7176.1163.90000112L322 G343 R344 K349 L350 T351 Y358 V360L322-V347 HydrophobicContact CB-CG2 3.86Å; L322-V347 HydrophobicContact CD2-CG2 3.9Å; G343-V347 PolarHBondContact O-N 3.24Å; R344-V347 PolarHBondContact O-N 2.91Å; V347-K349 VanDerWaalsContact C-N 3.26Å; V347-K349 PolarHBondContact O-N 3.44Å; V347-L350 WeakPolarHBondContact O-CB 3.5Å; V347-L350 PolarHBondContact O-N 2.86Å; V347-L350 VanDerWaalsContact O-N 3.16Å; V347-T351 WeakPolarHBondContact O-CB 3.49Å; V347-T351 PolarHBondContact O-N 2.79Å; V347-T351 PolarHBondContact O-OG1 3.18Å; V347-T351 VanDerWaalsContact O-OG1 3.06Å; V347-Y358 HydrophobicContact CG2-CG 4.38Å; V347-V360 HydrophobicContact CB-CG2 3.9Å; V347-V360 HydrophobicContact CG1-CG2 4.41Å; V347-V360 HydrophobicContact CG2-CG2 3.45Å; V347-V360 VanDerWaalsContact CG2-CG2 3.45Å
348Q98.8Very high98.7Very high138 Ų13854 Ų5465%0.64528%0.276SS*.Hα-helixtrans-58.7-39.3172.9-73.8171.54.800112R344 A345 A346 S352R344-Q348 VanDerWaalsContact O-CG 3.31Å; R344-Q348 WeakPolarHBondContact O-CG 3.35Å; R344-Q348 PolarHBondContact O-N 3Å; A345-Q348 WeakPolarHBondContact O-CB 3.36Å; A345-Q348 PolarHBondContact O-N 3.07Å; A346-Q348 VanDerWaalsContact C-N 3.33Å; A346-Q348 PolarHBondContact O-N 2.66Å; Q348-S352 PolarHBondContact O-N 3.05Å; Q348-S352 VanDerWaalsContact O-N 3.16Å
349K98.8Very high98.6Very high110 Ų11057.2 Ų57.248%0.47829%0.289SS..Hα-helixtrans-65.6-44.2174.2-59.6-57.9-179.5-179.30111.6A345 A346 V347 S352 L415 H419A345-K349 WeakPolarHBondContact O-CG 3.29Å; A345-K349 PolarHBondContact O-N 2.84Å; A346-K349 WeakPolarHBondContact O-CB 3.48Å; A346-K349 PolarHBondContact O-N 2.8Å; A346-K349 VanDerWaalsContact O-N 3.11Å; V347-K349 VanDerWaalsContact C-N 3.26Å; V347-K349 PolarHBondContact O-N 3.44Å; K349-S352 WeakPolarHBondContact O-CB 3.39Å; K349-S352 PolarHBondContact O-N 3.12Å; K349-S352 PolarHBondContact O-OG 2.97Å; K349-L415 HydrophobicContact CB-CB 3.98Å; K349-L415 WeakPolarHBondContact O-CD1 3.27Å; K349-H419 HydrophobicContact CG-CB 4.14Å
350L98.8Very high98.6Very high0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-57.2-55.3175.2-170.2157.7000111.7A346 V347 S352 L353 T356 Y358 F389 E412 A416A346-L350 PolarHBondContact O-N 2.81Å; V347-L350 WeakPolarHBondContact O-CB 3.5Å; V347-L350 PolarHBondContact O-N 2.86Å; V347-L350 VanDerWaalsContact O-N 3.16Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-S352 VanDerWaalsContact O-N 3.15Å; L350-L353 PolarHBondContact O-N 3.13Å; L350-T356 HydrophobicContact CD2-CG2 4.47Å; L350-Y358 HydrophobicContact CD1-CD1 4.3Å; L350-Y358 HydrophobicContact CD1-CD2 4.04Å; L350-Y358 HydrophobicContact CD1-CE1 4.05Å; L350-Y358 HydrophobicContact CD1-CE2 3.76Å; L350-Y358 HydrophobicContact CD1-CG 4.33Å; L350-Y358 HydrophobicContact CD2-CD2 3.64Å; L350-Y358 HydrophobicContact CD2-CE2 3.52Å; L350-Y358 HydrophobicContact CG-CE2 4.32Å; L350-F389 HydrophobicContact CD1-CE1 4.49Å; L350-E412 HydrophobicContact CD1-CG 4.42Å; L350-E412 HydrophobicContact CD2-CB 4.07Å; L350-E412 HydrophobicContact CD2-CG 3.82Å; L350-E412 HydrophobicContact CG-CB 3.91Å; L350-E412 HydrophobicContact CG-CG 3.83Å; L350-A416 HydrophobicContact CB-CB 4.16Å; L350-A416 HydrophobicContact CD1-CB 4.2Å
351T98.6Very high98.5Very high43 Ų4356.5 Ų56.526%0.26429%0.286SS..Hα-helixtrans-59.1-29.9-177.9-60.30000112.1V347 L353 G355 T356V347-T351 WeakPolarHBondContact O-CB 3.49Å; V347-T351 PolarHBondContact O-N 2.79Å; V347-T351 PolarHBondContact O-OG1 3.18Å; V347-T351 VanDerWaalsContact O-OG1 3.06Å; T351-L353 PolarHBondContact O-N 3.27Å; T351-L353 VanDerWaalsContact O-N 3.13Å; T351-G355 WeakPolarHBondContact O-CA 3.13Å; T351-G355 PolarHBondContact O-N 2.87Å; T351-T356 WeakPolarHBondContact CA-O 2.98Å; T351-T356 WeakPolarHBondContact CB-O 3.49Å; T351-T356 PolarHBondContact OG1-O 2.85Å
352S98.8Very high98.2Very high90 Ų9049.7 Ų49.763%0.62926%0.26SS*.Hα-helixtrans-61.4-22-178.876.80000114.7Q348 K349 L350Q348-S352 PolarHBondContact O-N 3.05Å; Q348-S352 VanDerWaalsContact O-N 3.16Å; K349-S352 WeakPolarHBondContact O-CB 3.39Å; K349-S352 PolarHBondContact O-N 3.12Å; K349-S352 PolarHBondContact O-OG 2.97Å; L350-S352 PolarHBondContact O-N 2.8Å; L350-S352 VanDerWaalsContact O-N 3.15Å
353L98.5Very high98Very high74 Ų7450.5 Ų50.539%0.38726%0.264SS..Hα-helixtrans-84.3-48.4-175.2-168.960.8000113L350 T351 E412 L415L350-L353 PolarHBondContact O-N 3.13Å; T351-L353 PolarHBondContact O-N 3.27Å; T351-L353 VanDerWaalsContact O-N 3.13Å; L353-E412 HydrophobicContact CB-CB 4.3Å; L353-E412 HydrophobicContact CD2-CB 4.13Å; L353-L415 HydrophobicContact CB-CD1 3.89Å; L353-L415 HydrophobicContact CD2-CD1 4.24Å; L353-L415 HydrophobicContact CG-CD1 4.47Å
354Y98.6Very high97.7Very high118 Ų11851.3 Ų51.346%0.46327%0.27SS..Hα-helixtrans-1292.5-174.7-60.6-56.9000114.4T356 P408 S411 E412Y354-T356 PolarHBondContact O-N 3.42Å; Y354-P408 HydrophobicContact CD2-CB 4.25Å; Y354-P408 HydrophobicContact CE2-CB 3.85Å; Y354-P408 VanDerWaalsContact CE2-O 3.3Å; Y354-P408 WeakPolarHBondContact CE2-O 3.09Å; Y354-S411 WeakPolarHBondContact CE2-OG 3.41Å; Y354-S411 PolarHBondContact OH-OG 3.48Å; Y354-E412 HydrophobicContact CD2-CB 4.01Å; Y354-E412 WeakPolarHBondContact CD2-OE2 3.49Å; Y354-E412 HydrophobicContact CE2-CB 4.4Å
355G98.5Very high97.2Very high48 Ų4850 Ų5050%0.49527%0.272SS..  trans767.9-174.900000114.2T351 T357T351-G355 WeakPolarHBondContact O-CA 3.13Å; T351-G355 PolarHBondContact O-N 2.87Å; G355-T357 PolarHBondContact O-N 2.98Å
356T98.6Very high96.7Very high14 Ų1450.7 Ų50.79%0.08627%0.273CS..  trans-63.9124.4179.5-44.40000110.6Q320 L350 T351 Y354 Y358 R392 E412Q320-T356 HydrophobicContact CG-CG2 4.29Å; L350-T356 HydrophobicContact CD2-CG2 4.47Å; T351-T356 WeakPolarHBondContact CA-O 2.98Å; T351-T356 WeakPolarHBondContact CB-O 3.49Å; T351-T356 PolarHBondContact OG1-O 2.85Å; Y354-T356 PolarHBondContact O-N 3.42Å; T356-Y358 HydrophobicContact CG2-CD2 4.13Å; T356-Y358 HydrophobicContact CG2-CE2 3.7Å; T356-R392 HydrophobicContact CG2-CG 4.39Å; T356-R392 PolarHBondContact OG1-NH2 2.8Å; T356-E412 VanDerWaalsContact CB-OE2 3.22Å; T356-E412 WeakPolarHBondContact CB-OE2 3.41Å; T356-E412 PolarHBondContact OG1-OE1 3.14Å; T356-E412 PolarHBondContact OG1-OE2 3.42Å
357T98.1Very high96.1Very high101 Ų10151.9 Ų51.962%0.6228%0.279SS*.  trans-95.3125.3-176.355.70000110.5Q320 G355Q320-T357 WeakPolarHBondContact CB-O 3.48Å; Q320-T357 PolarHBondContact NE2-O 3.01Å; G355-T357 PolarHBondContact O-N 2.98Å
358Y98.4Very high95.5Very high19 Ų1952.7 Ų52.78%0.07528%0.281CS..  trans-110.6144.8172.2-81.6-127.7000110.3Q320 V347 L350 T356 F389 E390 L391Q320-Y358 HydrophobicContact CB-CD1 4.25Å; Q320-Y358 HydrophobicContact CB-CD2 3.73Å; Q320-Y358 HydrophobicContact CB-CE1 4.26Å; Q320-Y358 HydrophobicContact CB-CE2 3.75Å; Q320-Y358 HydrophobicContact CB-CG 3.97Å; Q320-Y358 HydrophobicContact CG-CD2 4.22Å; Q320-Y358 HydrophobicContact CG-CE2 3.77Å; Q320-Y358 CarbonylContact O-C 3.57Å; Q320-Y358 WeakPolarHBondContact O-CA 3.21Å; V347-Y358 HydrophobicContact CG2-CG 4.38Å; L350-Y358 HydrophobicContact CD1-CD1 4.3Å; L350-Y358 HydrophobicContact CD1-CD2 4.04Å; L350-Y358 HydrophobicContact CD1-CE1 4.05Å; L350-Y358 HydrophobicContact CD1-CE2 3.76Å; L350-Y358 HydrophobicContact CD1-CG 4.33Å; L350-Y358 HydrophobicContact CD2-CD2 3.64Å; L350-Y358 HydrophobicContact CD2-CE2 3.52Å; L350-Y358 HydrophobicContact CG-CE2 4.32Å; T356-Y358 HydrophobicContact CG2-CD2 4.13Å; T356-Y358 HydrophobicContact CG2-CE2 3.7Å; Y358-F389 HydrophobicContact CE1-CD1 4.33Å; Y358-E390 VanDerWaalsContact CE1-O 3.29Å; Y358-E390 WeakPolarHBondContact CE1-O 3.43Å; Y358-L391 WeakPolarHBondContact OH-CA 3.25Å
359K97.4Very high95.2Very high114 Ų11449.5 Ų49.550%0.49627%0.266SS..EExtended strand (participates in β ladder)trans-85.5143163.8-64.1-176.4178.5-177.20109.3Q320 L321 L322Q320-K359 PolarHBondContact O-N 3.3Å; L321-K359 WeakPolarHBondContact CA-O 3.31Å; L321-K359 HydrophobicContact CD2-CB 3.72Å; L321-K359 HydrophobicContact CD2-CD 4.36Å; L321-K359 HydrophobicContact CD2-CG 4.35Å; L322-K359 PolarHBondContact N-O 2.72Å
360V98.3Very high95Very high17 Ų1744.7 Ų44.710%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-119.2134.6177.3-178.50000109.4L322 Y324 R344 V347L322-V360 HydrophobicContact CB-CG2 4.33Å; L322-V360 VanDerWaalsContact O-CA 3.3Å; L322-V360 WeakPolarHBondContact O-CA 3.26Å; Y324-V360 HydrophobicContact CE1-CG1 4.05Å; R344-V360 HydrophobicContact CG-CB 4.15Å; R344-V360 HydrophobicContact CG-CG1 4.1Å; R344-V360 HydrophobicContact CG-CG2 4.36Å; V347-V360 HydrophobicContact CB-CG2 3.9Å; V347-V360 HydrophobicContact CG1-CG2 4.41Å; V347-V360 HydrophobicContact CG2-CG2 3.45Å; V347-V360 VanDerWaalsContact CG2-CG2 3.45Å
361G96.9Very high94.9Very high4 Ų444.7 Ų44.74%0.04125%0.247CC..EExtended strand (participates in β ladder)trans168.8-177.517400000115.4L322 M323 Y324L322-G361 PolarHBondContact O-N 3.29Å; M323-G361 VanDerWaalsContact CA-O 3.26Å; M323-G361 WeakPolarHBondContact CA-O 3.45Å; Y324-G361 VanDerWaalsContact CE1-C 3.49Å; Y324-G361 VanDerWaalsContact CZ-C 3.41Å; Y324-G361 PolarHBondContact N-O 3.07Å; Y324-G361 VanDerWaalsContact N-O 3.17Å; Y324-G361 WeakPolarHBondContact OH-CA 3.19Å
362N93.1Very high94.9Very high3 Ų342.7 Ų42.72%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-61.2136.1171.3166.9-90.2000111.1Y324 P325 Y326 C364 N365 I366Y324-N362 HydrophobicContact CE2-CB 4.04Å; Y324-N362 WeakPolarHBondContact O-CA 3.18Å; P325-N362 PolarHBondContact O-ND2 2.89Å; P325-N362 VanDerWaalsContact O-ND2 3.11Å; Y326-N362 PolarHBondContact N-ND2 2.68Å; Y326-N362 PolarHBondContact O-ND2 3.12Å; Y326-N362 PolarHBondContact O-OD1 3.31Å; N362-C364 PolarHBondContact O-N 3.35Å; N362-C364 WeakPolarHBondContact OD1-CB 3.36Å; N362-C364 PolarHBondContact OD1-N 3.32Å; N362-N365 HydrophobicContact CB-CB 4.29Å; N362-N365 PolarHBondContact O-N 2.8Å; N362-N365 VanDerWaalsContact O-N 3.14Å; N362-N365 PolarHBondContact OD1-N 3.19Å; N362-N365 VanDerWaalsContact OD1-N 3.1Å; N362-I366 WeakPolarHBondContact O-CG1 3.1Å; N362-I366 PolarHBondContact O-N 2.56Å
363I94.6Very high94.9Very high18 Ų1838.8 Ų38.89%0.09221%0.208CC..Hα-helixtrans-49.7-57.9-179.6-65.7166.2000111.3M323 Y324 N365 I366 I367 Y368 I375M323-I363 HydrophobicContact CB-CG1 3.75Å; M323-I363 HydrophobicContact CG-CG1 4.42Å; M323-I363 HydrophobicContact SD-CG1 4.21Å; Y324-I363 PolarHBondContact O-N 3Å; Y324-I363 VanDerWaalsContact O-N 3.07Å; I363-N365 PolarHBondContact O-N 2.87Å; I363-N365 VanDerWaalsContact O-N 3.12Å; I363-I366 PolarHBondContact O-N 2.62Å; I363-I367 HydrophobicContact CG2-CG2 3.59Å; I363-I367 WeakPolarHBondContact O-CG2 3.26Å; I363-I367 PolarHBondContact O-N 3.27Å; I363-Y368 PolarHBondContact O-N 2.97Å; I363-I375 HydrophobicContact CD1-CD1 3.4Å; I363-I375 VanDerWaalsContact CD1-CD1 3.4Å; I363-I375 HydrophobicContact CD1-CG1 3.5Å; I363-I375 VanDerWaalsContact CD1-CG1 3.5Å; I363-I375 HydrophobicContact CG1-CD1 4.13Å
364C92.5Very high94.9Very high17 Ų1735.3 Ų35.312%0.11519%0.191CC..Hα-helixtrans-53.2-41.6-176.5173.30000112.2Y326 C330 N362 Y368Y326-C364 PolarHBondContact O-N 2.96Å; Y326-C364 VanDerWaalsContact O-N 3.15Å; C330-C364 HydrophobicContact CB-CB 3.7Å; C330-C364 WeakPolarHBondContact CB-SG 3.17Å; C330-C364 WeakPolarHBondContact SG-CB 3.34Å; C330-C364 CovalentContact SG-SG 2.03Å; C330-C364 PolarHBondContact SG-SG 2.87Å; N362-C364 PolarHBondContact O-N 3.35Å; N362-C364 WeakPolarHBondContact OD1-CB 3.36Å; N362-C364 PolarHBondContact OD1-N 3.32Å; C364-Y368 WeakPolarHBondContact CA-O 3.2Å; C364-Y368 WeakPolarHBondContact O-CA 3.39Å
365N86.9Confident94.9Very high96 Ų9629.9 Ų29.951%0.51317%0.169SC..Hα-helixtrans-78-32.7-173.6-65.5-18.9000114.1N362 I363N362-N365 HydrophobicContact CB-CB 4.29Å; N362-N365 PolarHBondContact O-N 2.8Å; N362-N365 VanDerWaalsContact O-N 3.14Å; N362-N365 PolarHBondContact OD1-N 3.19Å; N362-N365 VanDerWaalsContact OD1-N 3.1Å; I363-N365 PolarHBondContact O-N 2.87Å; I363-N365 VanDerWaalsContact O-N 3.12Å
366I89.1Confident94.9Very high28 Ų2827.6 Ų27.614%0.14415%0.146CC..Hα-helixtrans-107-13.2-172.974.9164.5000114.4L71 L321 M323 N362 I363L71-I366 WeakPolarHBondContact CD1-O 3.43Å; L321-I366 HydrophobicContact CB-CD1 4.34Å; L321-I366 HydrophobicContact CD2-CD1 4.36Å; M323-I366 HydrophobicContact CG-CD1 3.55Å; M323-I366 HydrophobicContact CG-CG1 3.95Å; M323-I366 HydrophobicContact SD-CG1 4.46Å; N362-I366 WeakPolarHBondContact O-CG1 3.1Å; N362-I366 PolarHBondContact O-N 2.56Å; I363-I366 PolarHBondContact O-N 2.62Å
367I86.9Confident94.9Very high24 Ų2427.2 Ų27.212%0.12314%0.143CC..THydrogen-bonded Turntrans-121.6-74170.6-149-177.3000109.9L71 L321 M323 I363L71-I367 VanDerWaalsContact CD1-O 3.32Å; L71-I367 WeakPolarHBondContact CD1-O 3.42Å; L321-I367 HydrophobicContact CD1-CB 4.15Å; L321-I367 HydrophobicContact CD1-CD1 4.06Å; L321-I367 HydrophobicContact CD1-CG1 3.98Å; M323-I367 HydrophobicContact SD-CB 4.16Å; M323-I367 HydrophobicContact SD-CD1 4.45Å; M323-I367 HydrophobicContact SD-CG2 4.05Å; I363-I367 HydrophobicContact CG2-CG2 3.59Å; I363-I367 WeakPolarHBondContact O-CG2 3.26Å; I363-I367 PolarHBondContact O-N 3.27Å
368Y85.9Confident95Very high31 Ų3122.4 Ų22.412%0.12211%0.114CC..  trans179.1162179.755.4-90.7000111.3H65 V67 R265 I363 C364 A370H65-Y368 AromaticContact CD2-CZ 3.85Å; V67-Y368 HydrophobicContact CB-CG 4.45Å; V67-Y368 HydrophobicContact CG1-CG 4.4Å; V67-Y368 HydrophobicContact CG2-CD1 3.89Å; V67-Y368 HydrophobicContact CG2-CD2 4.23Å; V67-Y368 HydrophobicContact CG2-CG 3.56Å; R265-Y368 PolarHBondContact NH2-OH 2.84Å; I363-Y368 PolarHBondContact O-N 2.97Å; C364-Y368 WeakPolarHBondContact CA-O 3.2Å; C364-Y368 WeakPolarHBondContact O-CA 3.39Å; Y368-A370 HydrophobicContact CD2-CB 3.94Å; Y368-A370 HydrophobicContact CE2-CB 3.65Å; Y368-A370 PolarHBondContact O-N 3.43Å
369Q92.4Very high95Very high71 Ų7122.5 Ų22.533%0.33211%0.114SC..  trans-64.7118.9172.1-171.1177.914.500110.1P274 G275 G327 Y328P274-Q369 HydrophobicContact CB-CG 4.34Å; G275-Q369 WeakPolarHBondContact CA-O 3.43Å; G327-Q369 CarbonylContact O-C 3.15Å; G327-Q369 WeakPolarHBondContact O-CA 3.41Å; G327-Q369 WeakPolarHBondContact O-CG 3.31Å; Y328-Q369 PolarHBondContact O-NE2 3.22Å
370A93.8Very high95Very high8 Ų820.5 Ų20.57%0.06611%0.108CC..  trans-137116-175.600000110.5G327 Y328 Y368G327-A370 CarbonylContact C-O 3.6Å; G327-A370 PolarHBondContact O-N 3.46Å; Y328-A370 WeakPolarHBondContact CA-O 2.91Å; Y328-A370 PolarHBondContact N-O 2.97Å; Y368-A370 HydrophobicContact CD2-CB 3.94Å; Y368-A370 HydrophobicContact CE2-CB 3.65Å; Y368-A370 PolarHBondContact O-N 3.43Å
371S97.1Very high95Very high1 Ų123 Ų231%0.00712%0.124CC..SBendtrans-84.4155.8179.661.20000114R265 G270 G273 P274 S276 G373R265-S371 WeakPolarHBondContact CD-O 3.5Å; G270-S371 WeakPolarHBondContact O-CB 3.4Å; G273-S371 VanDerWaalsContact C-OG 3.28Å; G273-S371 PolarHBondContact N-OG 2.93Å; G273-S371 PolarHBondContact O-OG 2.87Å; P274-S371 WeakPolarHBondContact O-CB 3.25Å; P274-S371 PolarHBondContact O-N 2.9Å; P274-S371 PolarHBondContact O-OG 3.22Å; S276-S371 VanDerWaalsContact CB-OG 3.29Å; S276-S371 WeakPolarHBondContact CB-OG 3.27Å; S276-S371 PolarHBondContact OG-OG 2.86Å; S371-G373 PolarHBondContact O-N 3.02Å
372G98.3Very high95.1Very high0 Ų024.9 Ų24.90%014%0.143CC..SBendtrans6929.8171.900000114.6N264 R265 N266 W267 A269N264-G372 CarbonylContact C-O 3.57Å; R265-G372 CarbonylContact C-O 3.53Å; R265-G372 WeakPolarHBondContact CA-O 3.3Å; R265-G372 PolarHBondContact N-O 3.35Å; N266-G372 PolarHBondContact N-O 2.91Å; W267-G372 WeakPolarHBondContact CB-O 3.46Å; W267-G372 PolarHBondContact N-O 2.94Å; W267-G372 VanDerWaalsContact O-CA 3.32Å; W267-G372 WeakPolarHBondContact O-CA 3.32Å; A269-G372 VanDerWaalsContact O-CA 3.27Å; A269-G372 WeakPolarHBondContact O-CA 3.26Å; A269-G372 PolarHBondContact O-N 2.96Å
373G98.6Very high95.4Very high8 Ų825.1 Ų25.18%0.08214%0.144CC..  trans-82.8151.2178.400000113.7N264 S371 I375 D376 W377N264-G373 WeakPolarHBondContact OD1-CA 3.4Å; S371-G373 PolarHBondContact O-N 3.02Å; G373-I375 PolarHBondContact O-N 3.09Å; G373-D376 PolarHBondContact O-N 3.26Å; G373-W377 PolarHBondContact O-N 2.86Å
374S98.8Very high95.6Very high2 Ų225.7 Ų25.71%0.01415%0.146CC..Hα-helixtrans-60.3-45-177.261.20000113.2N264 W267 W377 S378N264-S374 PolarHBondContact OD1-N 3.01Å; N264-S374 PolarHBondContact OD1-OG 3.31Å; W267-S374 VanDerWaalsContact CE2-CB 3.42Å; S374-W377 PolarHBondContact O-N 3.4Å; S374-S378 PolarHBondContact O-N 3.27Å; S374-S378 PolarHBondContact O-OG 3.05Å
375I98.8Very high95.9Very high3 Ų325 Ų252%0.01514%0.141CC..Hα-helixtrans-76.7-25.3-174.375.8164.8000113.3F312 P325 I363 G373 S378 Y379 S386 F387 A388F312-I375 HydrophobicContact CD1-CG2 4.24Å; P325-I375 HydrophobicContact CG-CD1 4.26Å; P325-I375 HydrophobicContact CG-CG1 4.18Å; P325-I375 VanDerWaalsContact CG-O 3.31Å; P325-I375 WeakPolarHBondContact CG-O 3.46Å; I363-I375 HydrophobicContact CD1-CD1 3.4Å; I363-I375 VanDerWaalsContact CD1-CD1 3.4Å; I363-I375 HydrophobicContact CD1-CG1 3.5Å; I363-I375 VanDerWaalsContact CD1-CG1 3.5Å; I363-I375 HydrophobicContact CG1-CD1 4.13Å; G373-I375 PolarHBondContact O-N 3.09Å; I375-S378 VanDerWaalsContact CA-OG 3.3Å; I375-S378 WeakPolarHBondContact CA-OG 3.49Å; I375-S378 PolarHBondContact O-OG 3.21Å; I375-S378 VanDerWaalsContact O-OG 3.11Å; I375-Y379 VanDerWaalsContact O-CB 3.32Å; I375-Y379 WeakPolarHBondContact O-CB 3.4Å; I375-Y379 PolarHBondContact O-N 2.89Å; I375-Y379 VanDerWaalsContact O-N 3.12Å; I375-S386 WeakPolarHBondContact O-CB 3.48Å; I375-F387 WeakPolarHBondContact CG2-O 3.43Å; I375-A388 HydrophobicContact CD1-CB 3.78Å; I375-A388 HydrophobicContact CG1-CB 4.48Å; I375-A388 HydrophobicContact CG2-CB 4.05Å
376D98.8Very high96.4Very high1 Ų120.4 Ų20.41%0.00512%0.117CC..Hα-helixtrans-68.4-46.2171.8-73.9-6.1000109.6A269 Y326 G327 Y328 G373 Y379 D380A269-D376 HydrophobicContact CB-CB 3.73Å; Y326-D376 VanDerWaalsContact CA-OD1 3.23Å; Y326-D376 WeakPolarHBondContact CA-OD1 3.1Å; Y326-D376 HydrophobicContact CD1-CB 4.24Å; G327-D376 VanDerWaalsContact CA-OD2 3.26Å; G327-D376 WeakPolarHBondContact CA-OD2 3.21Å; G327-D376 PolarHBondContact N-OD1 3.07Å; G327-D376 PolarHBondContact N-OD2 3.47Å; Y328-D376 HydrophobicContact CD1-CB 3.76Å; Y328-D376 WeakPolarHBondContact CD1-OD2 3.41Å; Y328-D376 HydrophobicContact CE1-CB 3.99Å; Y328-D376 PolarHBondContact N-OD2 3.07Å; G373-D376 PolarHBondContact O-N 3.26Å; D376-Y379 PolarHBondContact O-N 3.2Å; D376-D380 WeakPolarHBondContact O-CB 3.35Å; D376-D380 PolarHBondContact O-N 2.89Å
377W98.9Very high96.9Very high6 Ų619 Ų192%0.02311%0.11CC..Hα-helixtrans-61.1-47.7175.2168.382.9000111.9W267 A269 H291 V300 V303 Q304 F312 G373 S374 Y379 D380 V381W267-W377 HydrophobicContact CB-CB 3.86Å; W267-W377 HydrophobicContact CB-CG 4.35Å; W267-W377 HydrophobicContact CE3-CB 4.15Å; W267-W377 AromaticContact CE3-CD2 3.54Å; W267-W377 HydrophobicContact CE3-CD2 3.54Å; W267-W377 AromaticContact CE3-CE3 3.38Å; W267-W377 HydrophobicContact CE3-CE3 3.38Å; W267-W377 AromaticContact CE3-CG 3.87Å; W267-W377 HydrophobicContact CE3-CG 3.87Å; W267-W377 HydrophobicContact CE3-CZ3 4.04Å; W267-W377 HydrophobicContact CH2-CE3 4.45Å; W267-W377 HydrophobicContact CH2-CZ3 4.48Å; W267-W377 AromaticContact CZ3-CD2 3.89Å; W267-W377 HydrophobicContact CZ3-CD2 3.89Å; W267-W377 AromaticContact CZ3-CE3 3.3Å; W267-W377 HydrophobicContact CZ3-CE3 3.3Å; W267-W377 HydrophobicContact CZ3-CH2 4.19Å; W267-W377 AromaticContact CZ3-CZ3 3.48Å; W267-W377 HydrophobicContact CZ3-CZ3 3.48Å; W267-W377 VanDerWaalsContact CZ3-CZ3 3.48Å; A269-W377 HydrophobicContact CB-CB 3.88Å; H291-W377 AromaticContact CE1-NE1 3.88Å; H291-W377 AromaticContact NE2-CD1 3.92Å; H291-W377 AromaticContact NE2-NE1 3.86Å; V300-W377 HydrophobicContact CB-CH2 4.39Å; V300-W377 HydrophobicContact CB-CZ2 4.13Å; V300-W377 HydrophobicContact CG1-CZ2 3.88Å; V300-W377 HydrophobicContact CG2-CH2 4.09Å; V300-W377 HydrophobicContact CG2-CZ2 3.81Å; V303-W377 HydrophobicContact CB-CH2 3.88Å; V303-W377 HydrophobicContact CB-CZ3 4.43Å; V303-W377 HydrophobicContact CG1-CH2 3.75Å; V303-W377 HydrophobicContact CG1-CZ3 4.18Å; V303-W377 HydrophobicContact CG2-CH2 4.45Å; Q304-W377 HydrophobicContact CG-CZ2 4.3Å; F312-W377 HydrophobicContact CE2-CZ3 4.08Å; G373-W377 PolarHBondContact O-N 2.86Å; S374-W377 PolarHBondContact O-N 3.4Å; W377-Y379 VanDerWaalsContact C-N 3.26Å; W377-Y379 PolarHBondContact O-N 3.33Å; W377-D380 PolarHBondContact O-N 3.16Å; W377-V381 HydrophobicContact CH2-CG2 4.39Å; W377-V381 HydrophobicContact CZ2-CG1 4.31Å; W377-V381 HydrophobicContact CZ2-CG2 4.22Å; W377-V381 WeakPolarHBondContact O-CG2 3.44Å; W377-V381 PolarHBondContact O-N 3.27Å
378S98.9Very high97.5Very high0 Ų018.1 Ų18.10%011%0.105CC..Hα-helixtrans-62.3-37.4-178.562.60000111.5F312 S374 I375 V381 G382 I383 S386F312-S378 WeakPolarHBondContact CB-OG 3.35Å; F312-S378 VanDerWaalsContact CG-CB 3.48Å; S374-S378 PolarHBondContact O-N 3.27Å; S374-S378 PolarHBondContact O-OG 3.05Å; I375-S378 VanDerWaalsContact CA-OG 3.3Å; I375-S378 WeakPolarHBondContact CA-OG 3.49Å; I375-S378 PolarHBondContact O-OG 3.21Å; I375-S378 VanDerWaalsContact O-OG 3.11Å; S378-V381 VanDerWaalsContact O-CG2 3.29Å; S378-V381 WeakPolarHBondContact O-CG2 3.14Å; S378-G382 PolarHBondContact O-N 2.98Å; S378-I383 WeakPolarHBondContact O-CA 3.26Å; S378-I383 WeakPolarHBondContact O-CB 3.11Å; S378-I383 WeakPolarHBondContact O-CG1 3.25Å; S378-I383 PolarHBondContact O-N 2.9Å; S378-S386 WeakPolarHBondContact OG-CB 3.26Å; S378-S386 PolarHBondContact OG-OG 3.33Å
379Y98.8Very high98.1Very high21 Ų2116.6 Ų16.68%0.08210%0.1CC..Hα-helixtrans-68.9-44.4174.8-173.9-98.9000112.7P325 Y326 A333 A334 D335 L339 I375 D376 W377 V381 G382 I383 K384 S386P325-Y379 HydrophobicContact CB-CD1 4.23Å; P325-Y379 HydrophobicContact CB-CG 4.18Å; P325-Y379 HydrophobicContact CG-CD1 4.47Å; P325-Y379 HydrophobicContact CG-CD2 4.37Å; P325-Y379 HydrophobicContact CG-CG 3.92Å; Y326-Y379 AromaticContact CE1-CD1 3.82Å; Y326-Y379 HydrophobicContact CE1-CD1 3.82Å; Y326-Y379 HydrophobicContact CE1-CE1 4.42Å; Y326-Y379 HydrophobicContact CE2-CD1 4.3Å; Y326-Y379 HydrophobicContact CE2-CE1 4.11Å; Y326-Y379 AromaticContact CZ-CD1 3.55Å; Y326-Y379 AromaticContact CZ-CE1 3.7Å; Y326-Y379 VanDerWaalsContact OH-CD1 3.31Å; Y326-Y379 WeakPolarHBondContact OH-CD1 3.4Å; Y326-Y379 WeakPolarHBondContact OH-CE1 3.24Å; A333-Y379 HydrophobicContact CB-CE1 3.82Å; A334-Y379 PolarHBondContact N-OH 3.39Å; D335-Y379 PolarHBondContact N-OH 3.42Å; D335-Y379 PolarHBondContact OD2-OH 3.32Å; L339-Y379 HydrophobicContact CD1-CE2 4.17Å; I375-Y379 VanDerWaalsContact O-CB 3.32Å; I375-Y379 WeakPolarHBondContact O-CB 3.4Å; I375-Y379 PolarHBondContact O-N 2.89Å; I375-Y379 VanDerWaalsContact O-N 3.12Å; D376-Y379 PolarHBondContact O-N 3.2Å; W377-Y379 VanDerWaalsContact C-N 3.26Å; W377-Y379 PolarHBondContact O-N 3.33Å; Y379-V381 PolarHBondContact O-N 3.49Å; Y379-G382 WeakPolarHBondContact O-CA 3.31Å; Y379-G382 PolarHBondContact O-N 3.25Å; Y379-I383 WeakPolarHBondContact CA-O 3.4Å; Y379-K384 WeakPolarHBondContact CD2-O 3.42Å; Y379-S386 PolarHBondContact N-OG 3.23Å
380D98.6Very high98.4Very high71 Ų7114.4 Ų14.438%0.389%0.089SC..Hα-helixtrans-62.9-28.1177.9-79.1-17.2000112.8Y326 Y328 D376 W377 G382Y326-D380 WeakPolarHBondContact CE1-OD1 3.1Å; Y326-D380 VanDerWaalsContact CZ-OD1 3.3Å; Y326-D380 PolarHBondContact OH-OD1 3.08Å; Y328-D380 WeakPolarHBondContact CE1-OD2 3.25Å; Y328-D380 PolarHBondContact OH-OD2 3.48Å; Y328-D380 VanDerWaalsContact OH-OD2 3.07Å; D376-D380 WeakPolarHBondContact O-CB 3.35Å; D376-D380 PolarHBondContact O-N 2.89Å; W377-D380 PolarHBondContact O-N 3.16Å; D380-G382 VanDerWaalsContact C-N 3.3Å
381V98.3Very high98.6Very high70 Ų7014 Ų1442%0.4249%0.086SC..THydrogen-bonded Turntrans-87.58.1172.4-54.60000114W377 S378 Y379W377-V381 HydrophobicContact CH2-CG2 4.39Å; W377-V381 HydrophobicContact CZ2-CG1 4.31Å; W377-V381 HydrophobicContact CZ2-CG2 4.22Å; W377-V381 WeakPolarHBondContact O-CG2 3.44Å; W377-V381 PolarHBondContact O-N 3.27Å; S378-V381 VanDerWaalsContact O-CG2 3.29Å; S378-V381 WeakPolarHBondContact O-CG2 3.14Å; Y379-V381 PolarHBondContact O-N 3.49Å
382G98.3Very high98.7Very high44 Ų4415.3 Ų15.345%0.4549%0.091SC..THydrogen-bonded Turntrans99.311.4170.600000116S378 Y379 D380 K384 Y429S378-G382 PolarHBondContact O-N 2.98Å; Y379-G382 WeakPolarHBondContact O-CA 3.31Å; Y379-G382 PolarHBondContact O-N 3.25Å; D380-G382 VanDerWaalsContact C-N 3.3Å; G382-K384 PolarHBondContact O-N 3.38Å; G382-Y429 VanDerWaalsContact O-CE2 3.31Å; G382-Y429 WeakPolarHBondContact O-CE2 3.47Å; G382-Y429 PolarHBondContact O-OH 2.72Å
383I98.8Very high98.7Very high7 Ų716 Ų164%0.0369%0.094CC..  trans-86.888.9172.4-51.3174.6000109V303 F309 F312 S378 Y379 Y385 S386 Y429V303-I383 HydrophobicContact CG1-CD1 3.62Å; F309-I383 HydrophobicContact CB-CD1 3.75Å; F309-I383 HydrophobicContact CB-CG1 4.28Å; F312-I383 HydrophobicContact CB-CD1 4.42Å; F312-I383 HydrophobicContact CB-CG2 3.97Å; F312-I383 HydrophobicContact CD2-CD1 4.32Å; S378-I383 WeakPolarHBondContact O-CA 3.26Å; S378-I383 WeakPolarHBondContact O-CB 3.11Å; S378-I383 WeakPolarHBondContact O-CG1 3.25Å; S378-I383 PolarHBondContact O-N 2.9Å; Y379-I383 WeakPolarHBondContact CA-O 3.4Å; I383-Y385 PolarHBondContact O-N 3.46Å; I383-S386 PolarHBondContact O-OG 2.86Å; I383-Y429 VanDerWaalsContact CA-OH 3.28Å; I383-Y429 WeakPolarHBondContact CA-OH 3.21Å
384K98.7Very high98.6Very high30 Ų3018 Ų1813%0.1311%0.105CC..SBendtrans-53.1-52.1-174.9-178.9-179.8174.9177.80112.7D335 E338 L339 Y379 G382 S386 Y429D335-K384 HydrophobicContact CB-CG 4.2Å; D335-K384 WeakPolarHBondContact OD1-CE 3.23Å; D335-K384 IonicContact OD1-NZ 2.61Å; E338-K384 VanDerWaalsContact CD-NZ 3.28Å; E338-K384 IonicContact OE1-NZ 2.95Å; E338-K384 PolarHBondContact OE1-NZ 3.49Å; E338-K384 WeakPolarHBondContact OE2-CE 3.41Å; E338-K384 IonicContact OE2-NZ 3.84Å; E338-K384 PolarHBondContact OE2-NZ 2.91Å; L339-K384 WeakPolarHBondContact CD2-O 3.17Å; Y379-K384 WeakPolarHBondContact CD2-O 3.42Å; G382-K384 PolarHBondContact O-N 3.38Å; K384-S386 PolarHBondContact O-N 2.97Å; K384-Y429 HydrophobicContact CB-CD1 4.08Å; K384-Y429 HydrophobicContact CB-CE1 3.5Å; K384-Y429 VanDerWaalsContact CB-CE1 3.5Å; K384-Y429 HydrophobicContact CB-CE2 3.99Å; K384-Y429 VanDerWaalsContact CB-CZ 3.46Å; K384-Y429 HydrophobicContact CD-CD1 4.04Å; K384-Y429 HydrophobicContact CD-CE1 4.29Å; K384-Y429 HydrophobicContact CD-CG 4.36Å; K384-Y429 HydrophobicContact CG-CE1 4.49Å; K384-Y429 PolarHBondContact N-OH 3.44Å
385Y98.8Very high98.4Very high2 Ų218 Ų181%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-83.865.5-176.6-54.2-63.9000111.2K310 S311 F312 E338 L339 I383 Y423 V424 H427 Y429K310-Y385 VanDerWaalsContact O-CD2 3.3Å; K310-Y385 WeakPolarHBondContact O-CD2 3.2Å; S311-Y385 WeakPolarHBondContact CA-O 3.32Å; S311-Y385 WeakPolarHBondContact CB-O 3.43Å; S311-Y385 PolarHBondContact OG-O 2.94Å; F312-Y385 PolarHBondContact N-O 3.33Å; E338-Y385 PolarHBondContact OE1-OH 2.95Å; L339-Y385 HydrophobicContact CD2-CD1 4.25Å; I383-Y385 PolarHBondContact O-N 3.46Å; Y385-Y423 AromaticContact CE1-CD1 3.89Å; Y385-Y423 HydrophobicContact CE1-CD1 3.89Å; Y385-Y423 AromaticContact CE1-CE1 3.68Å; Y385-Y423 HydrophobicContact CE1-CE1 3.68Å; Y385-Y423 AromaticContact CZ-CE1 3.9Å; Y385-V424 HydrophobicContact CD1-CG2 4.41Å; Y385-V424 HydrophobicContact CD2-CB 4.01Å; Y385-V424 HydrophobicContact CD2-CG1 3.77Å; Y385-V424 HydrophobicContact CD2-CG2 3.4Å; Y385-V424 HydrophobicContact CE2-CB 4.3Å; Y385-V424 HydrophobicContact CE2-CG1 4.12Å; Y385-V424 HydrophobicContact CE2-CG2 4.04Å; Y385-V424 HydrophobicContact CG-CG2 3.62Å; Y385-H427 WeakPolarHBondContact CE2-O 3.38Å; Y385-H427 VanDerWaalsContact OH-CB 3.24Å; Y385-H427 WeakPolarHBondContact OH-CB 3.36Å; Y385-H427 PolarHBondContact OH-O 3.19Å; Y385-Y429 HydrophobicContact CD2-CD1 4.39Å; Y385-Y429 AromaticContact CD2-CE1 3.9Å; Y385-Y429 HydrophobicContact CD2-CE1 3.9Å; Y385-Y429 AromaticContact CE2-CD1 3.81Å; Y385-Y429 HydrophobicContact CE2-CD1 3.81Å; Y385-Y429 AromaticContact CE2-CE1 3.8Å; Y385-Y429 HydrophobicContact CE2-CE1 3.8Å
386S98.9Very high98.1Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-96.5118.4176.8-68.60000110.2F312 P325 I375 S378 Y379 I383 K384F312-S386 CarbonylContact O-C 3.51Å; F312-S386 VanDerWaalsContact O-CA 3.28Å; F312-S386 WeakPolarHBondContact O-CA 3.27Å; P325-S386 VanDerWaalsContact CD-O 3.22Å; P325-S386 WeakPolarHBondContact CD-O 3.43Å; I375-S386 WeakPolarHBondContact O-CB 3.48Å; S378-S386 WeakPolarHBondContact OG-CB 3.26Å; S378-S386 PolarHBondContact OG-OG 3.33Å; Y379-S386 PolarHBondContact N-OG 3.23Å; I383-S386 PolarHBondContact O-OG 2.86Å; K384-S386 PolarHBondContact O-N 2.97Å
387F98.9Very high98Very high0 Ų030.3 Ų30.30%015%0.152CC..EExtended strand (participates in β ladder)trans-133.8146.2-175.8-69.1-79.6000111.6F312 I313 S314 L322 M323 Y324 L339 V342 I375 I420F312-F387 PolarHBondContact O-N 2.85Å; I313-F387 VanDerWaalsContact CA-O 3.32Å; I313-F387 WeakPolarHBondContact CA-O 3.47Å; S314-F387 PolarHBondContact N-O 3.22Å; L322-F387 HydrophobicContact CD1-CB 4.09Å; L322-F387 HydrophobicContact CD1-CD1 4.1Å; L322-F387 HydrophobicContact CD1-CG 4.42Å; L322-F387 HydrophobicContact CG-CD1 4.47Å; M323-F387 CarbonylContact O-C 3.58Å; M323-F387 VanDerWaalsContact O-CA 3.27Å; M323-F387 WeakPolarHBondContact O-CA 3.43Å; Y324-F387 HydrophobicContact CD1-CE1 4.27Å; L339-F387 HydrophobicContact CB-CE1 4.39Å; L339-F387 HydrophobicContact CB-CZ 4.38Å; L339-F387 HydrophobicContact CD2-CE1 4.31Å; L339-F387 HydrophobicContact CD2-CE2 4.14Å; L339-F387 HydrophobicContact CD2-CZ 3.71Å; V342-F387 HydrophobicContact CB-CZ 4.12Å; V342-F387 HydrophobicContact CG1-CE2 4.23Å; V342-F387 HydrophobicContact CG1-CZ 3.92Å; I375-F387 WeakPolarHBondContact CG2-O 3.43Å; F387-I420 HydrophobicContact CD2-CD1 4.27Å; F387-I420 HydrophobicContact CD2-CG2 4.08Å; F387-I420 HydrophobicContact CE2-CG2 4.09Å; F387-I420 HydrophobicContact CG-CD1 4.4Å
388A98.9Very high97.9Very high4 Ų430 Ų303%0.03315%0.151CC..EExtended strand (participates in β ladder)trans-119.8132.8168.500000111S314 M323 I375S314-A388 CarbonylContact O-C 3.56Å; S314-A388 WeakPolarHBondContact O-CA 3.21Å; M323-A388 HydrophobicContact CB-CB 4.4Å; M323-A388 HydrophobicContact CE-CB 3.91Å; M323-A388 PolarHBondContact N-O 3.06Å; M323-A388 PolarHBondContact O-N 3.42Å; I375-A388 HydrophobicContact CD1-CB 3.78Å; I375-A388 HydrophobicContact CG1-CB 4.48Å; I375-A388 HydrophobicContact CG2-CB 4.05Å
389F98.9Very high97.9Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-98.8134.9171-79.9-97.4000109.6I313 S314 V315 H316 L321 L322 L350 Y358 L391 T413 A416 L417 I420I313-F389 HydrophobicContact CG2-CD2 3.86Å; I313-F389 HydrophobicContact CG2-CE2 4Å; S314-F389 PolarHBondContact O-N 3.25Å; V315-F389 HydrophobicContact CG1-CB 4.18Å; H316-F389 CarbonylContact C-O 3.58Å; H316-F389 WeakPolarHBondContact CA-O 3.36Å; H316-F389 VanDerWaalsContact CB-O 3.26Å; H316-F389 WeakPolarHBondContact CB-O 3.48Å; H316-F389 PolarHBondContact N-O 3.49Å; L321-F389 CarbonylContact O-C 3.6Å; L321-F389 WeakPolarHBondContact O-CA 3.3Å; L322-F389 HydrophobicContact CB-CE1 4.47Å; L322-F389 HydrophobicContact CD1-CD1 4.05Å; L322-F389 HydrophobicContact CD1-CD2 3.72Å; L322-F389 HydrophobicContact CD1-CE1 3.81Å; L322-F389 HydrophobicContact CD1-CE2 3.45Å; L322-F389 VanDerWaalsContact CD1-CE2 3.45Å; L322-F389 HydrophobicContact CD1-CG 4.01Å; L322-F389 HydrophobicContact CD1-CZ 3.5Å; L322-F389 HydrophobicContact CD2-CE1 4.22Å; L322-F389 HydrophobicContact CD2-CZ 4.01Å; L322-F389 HydrophobicContact CG-CE1 4.39Å; L322-F389 HydrophobicContact CG-CZ 4.32Å; L350-F389 HydrophobicContact CD1-CE1 4.49Å; Y358-F389 HydrophobicContact CE1-CD1 4.33Å; F389-L391 HydrophobicContact CB-CD2 4.23Å; F389-T413 HydrophobicContact CD1-CG2 4.24Å; F389-T413 HydrophobicContact CE1-CG2 4.31Å; F389-A416 HydrophobicContact CE1-CB 3.81Å; F389-A416 HydrophobicContact CZ-CB 3.76Å; F389-L417 HydrophobicContact CD2-CD2 4.35Å; F389-L417 HydrophobicContact CE2-CD2 3.75Å; F389-L417 HydrophobicContact CZ-CD2 4.21Å; F389-I420 HydrophobicContact CE2-CD1 3.9Å; F389-I420 HydrophobicContact CZ-CD1 3.9Å
390E98.8Very high97.9Very high24 Ų2429.7 Ų29.711%0.11215%0.15CC..EExtended strand (participates in β ladder)trans-106.5109.5157.4-70.1-72.1178.500107H316 A317 Y318 Q320 L321 M323 Y358H316-E390 VanDerWaalsContact CB-CD 3.47Å; H316-E390 HydrophobicContact CB-CG 4.47Å; H316-E390 VanDerWaalsContact CB-OE2 3.26Å; H316-E390 WeakPolarHBondContact CB-OE2 3.49Å; A317-E390 VanDerWaalsContact CA-OE2 3.24Å; A317-E390 WeakPolarHBondContact CA-OE2 3.36Å; A317-E390 PolarHBondContact N-OE2 3.33Å; Y318-E390 PolarHBondContact N-OE2 2.95Å; Q320-E390 CarbonylContact C-O 3.42Å; Q320-E390 WeakPolarHBondContact CA-O 3.32Å; Q320-E390 PolarHBondContact N-O 3.19Å; L321-E390 HydrophobicContact CB-CB 3.9Å; L321-E390 HydrophobicContact CB-CG 4.21Å; L321-E390 HydrophobicContact CD1-CB 4.47Å; L321-E390 HydrophobicContact CD1-CG 4.22Å; L321-E390 HydrophobicContact CG-CB 4.17Å; L321-E390 HydrophobicContact CG-CG 4.43Å; L321-E390 PolarHBondContact N-O 2.88Å; L321-E390 PolarHBondContact O-N 3.37Å; M323-E390 HydrophobicContact CE-CG 3.57Å; Y358-E390 VanDerWaalsContact CE1-O 3.29Å; Y358-E390 WeakPolarHBondContact CE1-O 3.43Å
391L98.9Very high97.9Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-71.8-169.8-174.6-62.8-178.5000112.5V194 T198 V315 H316 A317 Y318 S319 Q320 Y358 F389 T409 T413V194-L391 HydrophobicContact CG1-CB 4.23Å; V194-L391 HydrophobicContact CG1-CD1 4.28Å; T198-L391 HydrophobicContact CG2-CD1 4.29Å; V315-L391 HydrophobicContact CG1-CD1 3.6Å; V315-L391 HydrophobicContact CG1-CD2 4.08Å; V315-L391 HydrophobicContact CG1-CG 3.77Å; H316-L391 WeakPolarHBondContact O-CB 3.32Å; H316-L391 VanDerWaalsContact O-CG 3.24Å; H316-L391 WeakPolarHBondContact O-CG 3.43Å; H316-L391 PolarHBondContact O-N 3.47Å; A317-L391 HydrophobicContact CB-CB 4.12Å; Y318-L391 WeakPolarHBondContact CA-O 3.46Å; S319-L391 PolarHBondContact N-O 2.97Å; Q320-L391 PolarHBondContact N-O 2.98Å; Q320-L391 VanDerWaalsContact N-O 3.07Å; Y358-L391 WeakPolarHBondContact OH-CA 3.25Å; F389-L391 HydrophobicContact CB-CD2 4.23Å; L391-T409 HydrophobicContact CB-CG2 3.97Å; L391-T409 HydrophobicContact CD1-CG2 4.02Å; L391-T409 HydrophobicContact CD2-CG2 4.31Å; L391-T409 HydrophobicContact CG-CG2 4.33Å; L391-T413 HydrophobicContact CD2-CG2 3.76Å; L391-T413 WeakPolarHBondContact CD2-OG1 3.49Å
392R98.8Very high97.9Very high29 Ų2924.3 Ų24.311%0.10912%0.12CC..SBendtrans-58.3153.7172.5-67.7-165.7-171.5-170.90.9111.7Q320 T356 L401 T409 E412Q320-R392 HydrophobicContact CG-CG 4.46Å; T356-R392 HydrophobicContact CG2-CG 4.39Å; T356-R392 PolarHBondContact OG1-NH2 2.8Å; R392-L401 HydrophobicContact CB-CD1 4.43Å; R392-L401 HydrophobicContact CB-CD2 3.96Å; R392-T409 HydrophobicContact CB-CG2 4.32Å; R392-T409 WeakPolarHBondContact CD-OG1 3.37Å; R392-T409 HydrophobicContact CG-CG2 4.27Å; R392-E412 IonicContact CZ-OE1 3.97Å; R392-E412 IonicContact CZ-OE2 2.74Å; R392-E412 IonicContact NE-OE1 3.68Å; R392-E412 PolarHBondContact NE-OE1 3.46Å; R392-E412 IonicContact NE-OE2 3.84Å; R392-E412 VanDerWaalsContact NH2-CD 3.31Å; R392-E412 IonicContact NH2-OE1 2.67Å; R392-E412 PolarHBondContact NH2-OE1 2.94Å; R392-E412 IonicContact NH2-OE2 3.49Å; R392-E412 PolarHBondContact NH2-OE2 3.33Å
393D98.1Very high97.9Very high13 Ų1322.7 Ų22.77%0.0710%0.103CC..  cis-105-147.1-5.565.19.2000111.5S319 G395 W396 Y397 G398 L401S319-D393 CarbonylContact C-O 3.59Å; S319-D393 WeakPolarHBondContact CA-O 3.46Å; S319-D393 PolarHBondContact N-O 3.15Å; S319-D393 VanDerWaalsContact N-O 3.14Å; D393-G395 WeakPolarHBondContact OD1-CA 3.4Å; D393-G395 PolarHBondContact OD1-N 2.76Å; D393-W396 WeakPolarHBondContact OD2-CB 3.35Å; D393-W396 PolarHBondContact OD2-N 3.41Å; D393-Y397 WeakPolarHBondContact OD2-CB 3.42Å; D393-Y397 WeakPolarHBondContact OD2-CD2 3.33Å; D393-Y397 PolarHBondContact OD2-N 3.49Å; D393-G398 WeakPolarHBondContact OD1-CA 3.46Å; D393-G398 PolarHBondContact OD1-N 3.33Å; D393-L401 HydrophobicContact CB-CD1 3.91Å
394T96.2Very high97.9Very high51 Ų5127.4 Ų27.431%0.31313%0.128SC..SBendtrans-111.323.4175.154.20000112.1R37 Q320R37-T394 PolarHBondContact NH1-O 2.84Å; R37-T394 PolarHBondContact NH2-O 2.8Å; Q320-T394 HydrophobicContact CB-CG2 4.24Å; Q320-T394 HydrophobicContact CG-CG2 4.07Å
395G93.6Very high97.9Very high1 Ų128.8 Ų28.81%0.0114%0.135CC..SBendtrans1105.5171.200000116.5D393D393-G395 WeakPolarHBondContact OD1-CA 3.4Å; D393-G395 PolarHBondContact OD1-N 2.76Å
396W93.4Very high97.9Very high171 Ų17128.7 Ų28.765%0.64814%0.135SC*.SBendtrans-67.8-42.5173.5-74.696.2000111.3M99 I100 D393M99-W396 HydrophobicContact CE-CD2 4.04Å; M99-W396 HydrophobicContact CE-CE3 4.18Å; M99-W396 HydrophobicContact CE-CG 4.32Å; I100-W396 WeakPolarHBondContact CG1-O 3.33Å; D393-W396 WeakPolarHBondContact OD2-CB 3.35Å; D393-W396 PolarHBondContact OD2-N 3.41Å
397Y97Very high97.9Very high92 Ų9231.8 Ų31.836%0.36115%0.151SC..SBendtrans-114.8-25.5173.3-60.8-76.5000111.9L106 D393 F399 I400 L401 P402L106-Y397 HydrophobicContact CD1-CD1 4.27Å; L106-Y397 HydrophobicContact CD2-CD1 4.29Å; L106-Y397 HydrophobicContact CD2-CE1 4.25Å; D393-Y397 WeakPolarHBondContact OD2-CB 3.42Å; D393-Y397 WeakPolarHBondContact OD2-CD2 3.33Å; D393-Y397 PolarHBondContact OD2-N 3.49Å; Y397-F399 PolarHBondContact O-N 3.32Å; Y397-F399 VanDerWaalsContact O-N 3.13Å; Y397-I400 PolarHBondContact O-N 3.24Å; Y397-L401 HydrophobicContact CD2-CD1 4.26Å; Y397-P402 HydrophobicContact CD1-CG 3.83Å; Y397-P402 HydrophobicContact CD2-CG 4.15Å; Y397-P402 HydrophobicContact CE1-CG 3.65Å; Y397-P402 HydrophobicContact CE2-CG 3.98Å; Y397-P402 VanDerWaalsContact CG-CD 3.47Å; Y397-P402 HydrophobicContact CG-CG 4.08Å
398G97.4Very high97.9Very high1 Ų133.1 Ų33.11%0.0116%0.159CC..THydrogen-bonded Turntrans56-117.3-177.900000111.2D393 I400D393-G398 WeakPolarHBondContact OD1-CA 3.46Å; D393-G398 PolarHBondContact OD1-N 3.33Å; G398-I400 VanDerWaalsContact C-N 3.29Å; G398-I400 PolarHBondContact O-N 3Å
399F98.4Very high97.9Very high8 Ų832.9 Ų32.94%0.03516%0.158CC..THydrogen-bonded Turntrans-77.3-9-179.2-52.5-57.8000114.5W63 R191 E192 R244 A317 Y318 Y397W63-F399 HydrophobicContact CB-CD2 4.5Å; W63-F399 HydrophobicContact CB-CE2 3.63Å; W63-F399 HydrophobicContact CB-CZ 4.15Å; W63-F399 AromaticContact CD1-CE2 3.58Å; W63-F399 AromaticContact CD2-CD2 3.59Å; W63-F399 HydrophobicContact CD2-CD2 3.59Å; W63-F399 AromaticContact CD2-CE2 3.61Å; W63-F399 HydrophobicContact CD2-CE2 3.61Å; W63-F399 AromaticContact CE2-CD2 3.66Å; W63-F399 AromaticContact CE2-CE2 3.99Å; W63-F399 AromaticContact CE3-CD2 4Å; W63-F399 HydrophobicContact CE3-CD2 4Å; W63-F399 HydrophobicContact CE3-CE2 4.23Å; W63-F399 AromaticContact CG-CD2 3.85Å; W63-F399 HydrophobicContact CG-CD2 3.85Å; W63-F399 AromaticContact CG-CE2 3.33Å; W63-F399 HydrophobicContact CG-CE2 3.33Å; W63-F399 HydrophobicContact CG-CZ 4.32Å; W63-F399 HydrophobicContact CH2-CD2 4.48Å; W63-F399 HydrophobicContact CZ2-CD2 4.14Å; W63-F399 HydrophobicContact CZ3-CD2 4.42Å; W63-F399 AromaticContact NE1-CD2 3.92Å; W63-F399 AromaticContact NE1-CE2 3.93Å; R191-F399 HydrophobicContact CG-CB 4.49Å; R191-F399 HydrophobicContact CG-CD1 4.12Å; R191-F399 HydrophobicContact CG-CD2 4.24Å; R191-F399 HydrophobicContact CG-CE1 4.43Å; R191-F399 HydrophobicContact CG-CG 4.04Å; E192-F399 HydrophobicContact CG-CD1 4.07Å; E192-F399 HydrophobicContact CG-CE1 4.09Å; R244-F399 PolarHBondContact NH2-O 3.44Å; A317-F399 WeakPolarHBondContact O-CE1 3.43Å; Y318-F399 AromaticContact CD1-CD1 3.62Å; Y318-F399 HydrophobicContact CD1-CD1 3.62Å; Y318-F399 AromaticContact CD1-CE1 3.45Å; Y318-F399 HydrophobicContact CD1-CE1 3.45Å; Y318-F399 VanDerWaalsContact CD1-CE1 3.45Å; Y318-F399 HydrophobicContact CD1-CE2 4.47Å; Y318-F399 HydrophobicContact CD1-CG 4.2Å; Y318-F399 AromaticContact CD1-CZ 3.9Å; Y318-F399 HydrophobicContact CD1-CZ 3.9Å; Y318-F399 AromaticContact CE1-CD1 4Å; Y318-F399 HydrophobicContact CE1-CD1 4Å; Y318-F399 HydrophobicContact CE1-CD2 4.21Å; Y318-F399 AromaticContact CE1-CE1 3.66Å; Y318-F399 HydrophobicContact CE1-CE1 3.66Å; Y318-F399 AromaticContact CE1-CE2 3.89Å; Y318-F399 HydrophobicContact CE1-CE2 3.89Å; Y318-F399 HydrophobicContact CE1-CG 4.25Å; Y318-F399 AromaticContact CE1-CZ 3.58Å; Y318-F399 HydrophobicContact CE1-CZ 3.58Å; Y397-F399 PolarHBondContact O-N 3.32Å; Y397-F399 VanDerWaalsContact O-N 3.13Å
400I98.4Very high97.9Very high5 Ų532.9 Ų32.93%0.02616%0.158CC..SBendtrans-108.543.7-177.2-42.9167.5000109.6W63 V103 L106 L107 E110 M245 Y397 G398W63-I400 HydrophobicContact CH2-CD1 4.13Å; W63-I400 HydrophobicContact CH2-CG1 4.35Å; V103-I400 HydrophobicContact CG1-CD1 3.82Å; L106-I400 HydrophobicContact CB-CB 4.4Å; L106-I400 HydrophobicContact CB-CD1 4.22Å; L106-I400 HydrophobicContact CB-CG2 3.82Å; L106-I400 HydrophobicContact CD1-CD1 4.47Å; L107-I400 HydrophobicContact CD2-CD1 3.67Å; L107-I400 HydrophobicContact CD2-CG1 3.93Å; L107-I400 HydrophobicContact CD2-CG2 3.89Å; L107-I400 HydrophobicContact CG-CD1 4.08Å; E110-I400 HydrophobicContact CB-CG2 4.45Å; M245-I400 HydrophobicContact CE-CD1 3.83Å; M245-I400 HydrophobicContact CE-CG1 3.81Å; Y397-I400 PolarHBondContact O-N 3.24Å; G398-I400 VanDerWaalsContact C-N 3.29Å; G398-I400 PolarHBondContact O-N 3Å
401L98.6Very high97.9Very high5 Ų532.6 Ų32.63%0.02616%0.158CC..  trans-62.7127.4-177.8-16974.7000110.2Y132 V194 R392 D393 Y397 Q405Y132-L401 VanDerWaalsContact CE2-O 3.27Å; Y132-L401 WeakPolarHBondContact CE2-O 3.29Å; Y132-L401 PolarHBondContact OH-O 3.07Å; V194-L401 HydrophobicContact CB-CD2 4.1Å; V194-L401 HydrophobicContact CG1-CD2 4.45Å; V194-L401 HydrophobicContact CG2-CD2 3.69Å; R392-L401 HydrophobicContact CB-CD1 4.43Å; R392-L401 HydrophobicContact CB-CD2 3.96Å; D393-L401 HydrophobicContact CB-CD1 3.91Å; Y397-L401 HydrophobicContact CD2-CD1 4.26Å; L401-Q405 HydrophobicContact CD1-CB 4.25Å; L401-Q405 HydrophobicContact CD1-CG 4.28Å; L401-Q405 HydrophobicContact CD2-CB 3.76Å; L401-Q405 HydrophobicContact CG-CB 3.8Å; L401-Q405 HydrophobicContact CG-CG 4.28Å
402P98.5Very high97.9Very high23 Ų2332.6 Ų32.615%0.14916%0.158CC..  trans-56.8145.1-177.4-27.234.4000113.1Y397 N404 Q405Y397-P402 HydrophobicContact CD1-CG 3.83Å; Y397-P402 HydrophobicContact CD2-CG 4.15Å; Y397-P402 HydrophobicContact CE1-CG 3.65Å; Y397-P402 HydrophobicContact CE2-CG 3.98Å; Y397-P402 VanDerWaalsContact CG-CD 3.47Å; Y397-P402 HydrophobicContact CG-CG 4.08Å; P402-N404 PolarHBondContact O-N 3.2Å; P402-N404 VanDerWaalsContact O-N 3.1Å; P402-Q405 WeakPolarHBondContact O-CB 3.37Å; P402-Q405 PolarHBondContact O-N 3.31Å
403A98.3Very high97.9Very high10 Ų1031.2 Ų31.28%0.08315%0.153CC..G310 helixtrans-60.8-28.6-174.200000113.2E113 Q405 I406E113-A403 VanDerWaalsContact OE2-CB 3.26Å; E113-A403 WeakPolarHBondContact OE2-CB 3.18Å; E113-A403 PolarHBondContact OE2-N 3.18Å; A403-Q405 PolarHBondContact O-N 3.13Å; A403-Q405 VanDerWaalsContact O-N 3.15Å; A403-I406 HydrophobicContact CB-CD1 4.04Å; A403-I406 WeakPolarHBondContact O-CB 3.26Å; A403-I406 VanDerWaalsContact O-CG1 3.3Å; A403-I406 WeakPolarHBondContact O-CG1 3.29Å; A403-I406 PolarHBondContact O-N 3.39Å; A403-I406 VanDerWaalsContact O-N 3.07Å
404N98.3Very high97.9Very high107 Ų10731 Ų3157%0.57215%0.151SC*.G310 helixtrans-65.1-13.9175.669.622.4000114.3P402 P408P402-N404 PolarHBondContact O-N 3.2Å; P402-N404 VanDerWaalsContact O-N 3.1Å; N404-P408 WeakPolarHBondContact O-CD 3.31Å
405Q98.8Very high98.1Very high58 Ų5831.1 Ų31.127%0.27115%0.149SC..G310 helixtrans-91.1-7.7174.7-65.1-66-33.900113.2L401 P402 A403 P408 T409L401-Q405 HydrophobicContact CD1-CB 4.25Å; L401-Q405 HydrophobicContact CD1-CG 4.28Å; L401-Q405 HydrophobicContact CD2-CB 3.76Å; L401-Q405 HydrophobicContact CG-CB 3.8Å; L401-Q405 HydrophobicContact CG-CG 4.28Å; P402-Q405 WeakPolarHBondContact O-CB 3.37Å; P402-Q405 PolarHBondContact O-N 3.31Å; A403-Q405 PolarHBondContact O-N 3.13Å; A403-Q405 VanDerWaalsContact O-N 3.15Å; Q405-P408 WeakPolarHBondContact O-CD 3.23Å; Q405-T409 VanDerWaalsContact O-CB 3.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.4Å; Q405-T409 PolarHBondContact O-N 2.94Å; Q405-T409 PolarHBondContact O-OG1 2.8Å
406I98.9Very high98.3Very high0 Ų031.1 Ų31.10%015%0.149CC..Hα-helixtrans-60.5-54.3-178.8-66.7168.1000110.9F129 A131 Y132 A197 A403 T409 A410F129-I406 WeakPolarHBondContact O-CG2 3.41Å; A131-I406 VanDerWaalsContact C-CD1 3.45Å; Y132-I406 HydrophobicContact CD1-CD1 3.77Å; Y132-I406 HydrophobicContact CD2-CD1 4.25Å; Y132-I406 HydrophobicContact CE1-CD1 3.61Å; Y132-I406 HydrophobicContact CE1-CG1 3.89Å; Y132-I406 HydrophobicContact CE2-CD1 4.14Å; Y132-I406 HydrophobicContact CG-CD1 4.08Å; A197-I406 HydrophobicContact CB-CD1 4.1Å; A197-I406 HydrophobicContact CB-CG1 4.21Å; A197-I406 HydrophobicContact CB-CG2 3.66Å; A403-I406 HydrophobicContact CB-CD1 4.04Å; A403-I406 WeakPolarHBondContact O-CB 3.26Å; A403-I406 VanDerWaalsContact O-CG1 3.3Å; A403-I406 WeakPolarHBondContact O-CG1 3.29Å; A403-I406 PolarHBondContact O-N 3.39Å; A403-I406 VanDerWaalsContact O-N 3.07Å; I406-T409 PolarHBondContact O-N 3.39Å; I406-A410 WeakPolarHBondContact O-CB 3.48Å; I406-A410 PolarHBondContact O-N 2.9Å
407I98.9Very high98.6Very high66 Ų6623 Ų2334%0.33812%0.119SC..Hα-helixtrans-64.8-45.7-179.1-66.1179.5000111.8A130 T409 A410 S411A130-I407 HydrophobicContact CB-CD1 3.68Å; A130-I407 HydrophobicContact CB-CG1 4.11Å; I407-T409 VanDerWaalsContact C-N 3.31Å; I407-T409 PolarHBondContact O-N 2.82Å; I407-A410 PolarHBondContact O-N 2.98Å; I407-S411 VanDerWaalsContact O-CB 3.31Å; I407-S411 WeakPolarHBondContact O-CB 3.38Å; I407-S411 PolarHBondContact O-N 3.24Å; I407-S411 PolarHBondContact O-OG 3Å
408P98.9Very high98.7Very high27 Ų2720.2 Ų20.218%0.17511%0.108CC..Hα-helixtrans-54.1-45.8172.5-29.835.6000113.3Y354 N404 Q405 S411 E412Y354-P408 HydrophobicContact CD2-CB 4.25Å; Y354-P408 HydrophobicContact CE2-CB 3.85Å; Y354-P408 VanDerWaalsContact CE2-O 3.3Å; Y354-P408 WeakPolarHBondContact CE2-O 3.09Å; N404-P408 WeakPolarHBondContact O-CD 3.31Å; Q405-P408 WeakPolarHBondContact O-CD 3.23Å; P408-S411 PolarHBondContact O-OG 3.23Å; P408-E412 WeakPolarHBondContact O-CG 3.3Å; P408-E412 PolarHBondContact O-N 3.23Å
409T98.9Very high98.7Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-64.2-46.4178.4-55.40000111.5V194 L391 R392 Q405 I406 I407 E412 T413V194-T409 HydrophobicContact CG2-CG2 3.81Å; L391-T409 HydrophobicContact CB-CG2 3.97Å; L391-T409 HydrophobicContact CD1-CG2 4.02Å; L391-T409 HydrophobicContact CD2-CG2 4.31Å; L391-T409 HydrophobicContact CG-CG2 4.33Å; R392-T409 HydrophobicContact CB-CG2 4.32Å; R392-T409 WeakPolarHBondContact CD-OG1 3.37Å; R392-T409 HydrophobicContact CG-CG2 4.27Å; Q405-T409 VanDerWaalsContact O-CB 3.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.4Å; Q405-T409 PolarHBondContact O-N 2.94Å; Q405-T409 PolarHBondContact O-OG1 2.8Å; I406-T409 PolarHBondContact O-N 3.39Å; I407-T409 VanDerWaalsContact C-N 3.31Å; I407-T409 PolarHBondContact O-N 2.82Å; T409-E412 WeakPolarHBondContact O-CG 3.46Å; T409-T413 WeakPolarHBondContact O-CB 3.39Å; T409-T413 PolarHBondContact O-N 2.97Å; T409-T413 VanDerWaalsContact O-N 3.12Å; T409-T413 PolarHBondContact O-OG1 3.21Å
410A98.9Very high98.8Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-66.3-42.6-178.500000112.3T198 W201 I406 I407 T413 W414T198-A410 HydrophobicContact CG2-CB 4Å; W201-A410 HydrophobicContact CB-CB 3.87Å; W201-A410 HydrophobicContact CD2-CB 3.66Å; W201-A410 HydrophobicContact CE3-CB 3.7Å; W201-A410 HydrophobicContact CG-CB 3.74Å; I406-A410 WeakPolarHBondContact O-CB 3.48Å; I406-A410 PolarHBondContact O-N 2.9Å; I407-A410 PolarHBondContact O-N 2.98Å; A410-T413 PolarHBondContact O-N 3.37Å; A410-W414 WeakPolarHBondContact O-CB 3.32Å; A410-W414 PolarHBondContact O-N 3.16Å
411S98.8Very high98.8Very high17 Ų1721.1 Ų21.112%0.11911%0.112CC..Hα-helixtrans-71.9-36.1-176560000113.7Y354 I407 P408Y354-S411 WeakPolarHBondContact CE2-OG 3.41Å; Y354-S411 PolarHBondContact OH-OG 3.48Å; I407-S411 VanDerWaalsContact O-CB 3.31Å; I407-S411 WeakPolarHBondContact O-CB 3.38Å; I407-S411 PolarHBondContact O-N 3.24Å; I407-S411 PolarHBondContact O-OG 3Å; P408-S411 PolarHBondContact O-OG 3.23Å
412E98.9Very high98.8Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-72.2-40.6173.171.5-174.2-174.800111.6L350 L353 Y354 T356 R392 P408 T409 W414 L415L350-E412 HydrophobicContact CD1-CG 4.42Å; L350-E412 HydrophobicContact CD2-CB 4.07Å; L350-E412 HydrophobicContact CD2-CG 3.82Å; L350-E412 HydrophobicContact CG-CB 3.91Å; L350-E412 HydrophobicContact CG-CG 3.83Å; L353-E412 HydrophobicContact CB-CB 4.3Å; L353-E412 HydrophobicContact CD2-CB 4.13Å; Y354-E412 HydrophobicContact CD2-CB 4.01Å; Y354-E412 WeakPolarHBondContact CD2-OE2 3.49Å; Y354-E412 HydrophobicContact CE2-CB 4.4Å; T356-E412 VanDerWaalsContact CB-OE2 3.22Å; T356-E412 WeakPolarHBondContact CB-OE2 3.41Å; T356-E412 PolarHBondContact OG1-OE1 3.14Å; T356-E412 PolarHBondContact OG1-OE2 3.42Å; R392-E412 IonicContact CZ-OE1 3.97Å; R392-E412 IonicContact CZ-OE2 2.74Å; R392-E412 IonicContact NE-OE1 3.68Å; R392-E412 PolarHBondContact NE-OE1 3.46Å; R392-E412 IonicContact NE-OE2 3.84Å; R392-E412 VanDerWaalsContact NH2-CD 3.31Å; R392-E412 IonicContact NH2-OE1 2.67Å; R392-E412 PolarHBondContact NH2-OE1 2.94Å; R392-E412 IonicContact NH2-OE2 3.49Å; R392-E412 PolarHBondContact NH2-OE2 3.33Å; P408-E412 WeakPolarHBondContact O-CG 3.3Å; P408-E412 PolarHBondContact O-N 3.23Å; T409-E412 WeakPolarHBondContact O-CG 3.46Å; E412-W414 VanDerWaalsContact C-N 3.27Å; E412-W414 PolarHBondContact O-N 3.47Å; E412-L415 WeakPolarHBondContact O-CB 3.27Å; E412-L415 PolarHBondContact O-N 3.46Å; E412-L415 VanDerWaalsContact O-N 3.11Å
413T98.9Very high98.8Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-63.5-37.6178.6-57.60000110.6F389 L391 T409 A410 L415 A416 L417F389-T413 HydrophobicContact CD1-CG2 4.24Å; F389-T413 HydrophobicContact CE1-CG2 4.31Å; L391-T413 HydrophobicContact CD2-CG2 3.76Å; L391-T413 WeakPolarHBondContact CD2-OG1 3.49Å; T409-T413 WeakPolarHBondContact O-CB 3.39Å; T409-T413 PolarHBondContact O-N 2.97Å; T409-T413 VanDerWaalsContact O-N 3.12Å; T409-T413 PolarHBondContact O-OG1 3.21Å; A410-T413 PolarHBondContact O-N 3.37Å; T413-L415 PolarHBondContact O-N 2.75Å; T413-A416 WeakPolarHBondContact O-CB 3.48Å; T413-A416 PolarHBondContact O-N 2.99Å; T413-L417 HydrophobicContact CG2-CD1 3.95Å; T413-L417 HydrophobicContact CG2-CG 4.1Å; T413-L417 WeakPolarHBondContact O-CG 3.49Å; T413-L417 PolarHBondContact O-N 2.85Å
414W98.9Very high98.8Very high10 Ų1023 Ų234%0.03812%0.116CC..Hα-helixtrans-55.5-36.7174.2173.6-116.2000113.4W201 T202 K205 I206 L216 A410 E412 A416 L417 K418 M421W201-W414 HydrophobicContact CH2-CB 4.19Å; W201-W414 HydrophobicContact CH2-CG 4.28Å; W201-W414 HydrophobicContact CZ3-CB 3.67Å; W201-W414 AromaticContact CZ3-CG 3.92Å; W201-W414 HydrophobicContact CZ3-CG 3.92Å; T202-W414 HydrophobicContact CG2-CE3 3.9Å; T202-W414 HydrophobicContact CG2-CZ3 4Å; K205-W414 HydrophobicContact CG-CD2 4.02Å; K205-W414 HydrophobicContact CG-CG 4.27Å; K205-W414 HydrophobicContact CG-CZ2 4.1Å; I206-W414 HydrophobicContact CD1-CZ3 4.23Å; I206-W414 HydrophobicContact CG1-CH2 3.65Å; I206-W414 HydrophobicContact CG1-CZ3 3.71Å; L216-W414 HydrophobicContact CD1-CH2 3.86Å; L216-W414 HydrophobicContact CD1-CZ2 4.36Å; L216-W414 HydrophobicContact CD2-CH2 4.19Å; L216-W414 HydrophobicContact CD2-CZ2 4.13Å; A410-W414 WeakPolarHBondContact O-CB 3.32Å; A410-W414 PolarHBondContact O-N 3.16Å; E412-W414 VanDerWaalsContact C-N 3.27Å; E412-W414 PolarHBondContact O-N 3.47Å; W414-A416 VanDerWaalsContact C-N 3.35Å; W414-L417 HydrophobicContact CE3-CB 4.46Å; W414-L417 PolarHBondContact O-N 3.45Å; W414-K418 HydrophobicContact CZ2-CB 4.49Å; W414-K418 HydrophobicContact CZ2-CD 4.39Å; W414-K418 WeakPolarHBondContact O-CB 3.06Å; W414-K418 PolarHBondContact O-N 3.24Å; W414-M421 HydrophobicContact CH2-CE 3.78Å; W414-M421 HydrophobicContact CZ3-CE 3.63Å
415L98.9Very high98.8Very high53 Ų5320.2 Ų20.228%0.27710%0.097SC..Hα-helixtrans-66.2-38.2177-60.2-178.5000111.9K349 L353 E412 T413 H419K349-L415 HydrophobicContact CB-CB 3.98Å; K349-L415 WeakPolarHBondContact O-CD1 3.27Å; L353-L415 HydrophobicContact CB-CD1 3.89Å; L353-L415 HydrophobicContact CD2-CD1 4.24Å; L353-L415 HydrophobicContact CG-CD1 4.47Å; E412-L415 WeakPolarHBondContact O-CB 3.27Å; E412-L415 PolarHBondContact O-N 3.46Å; E412-L415 VanDerWaalsContact O-N 3.11Å; T413-L415 PolarHBondContact O-N 2.75Å; L415-H419 PolarHBondContact O-N 3.01Å
416A98.9Very high98.8Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-67.6-48.9173.200000111.7A346 L350 F389 T413 W414 K418 H419 I420A346-A416 HydrophobicContact CB-CB 3.96Å; A346-A416 WeakPolarHBondContact O-CB 3.19Å; L350-A416 HydrophobicContact CB-CB 4.16Å; L350-A416 HydrophobicContact CD1-CB 4.2Å; F389-A416 HydrophobicContact CE1-CB 3.81Å; F389-A416 HydrophobicContact CZ-CB 3.76Å; T413-A416 WeakPolarHBondContact O-CB 3.48Å; T413-A416 PolarHBondContact O-N 2.99Å; W414-A416 VanDerWaalsContact C-N 3.35Å; A416-K418 VanDerWaalsContact C-N 3.35Å; A416-K418 PolarHBondContact O-N 3.06Å; A416-H419 WeakPolarHBondContact O-CB 3.29Å; A416-H419 PolarHBondContact O-N 3.31Å; A416-H419 VanDerWaalsContact O-N 3.17Å; A416-I420 WeakPolarHBondContact O-CG1 3.4Å; A416-I420 PolarHBondContact O-N 3.13Å
417L98.9Very high98.7Very high2 Ų225.6 Ų25.61%0.0113%0.125CC..Hα-helixtrans-57.4-48.6179-69.2172.5000111M184 T202 I313 F389 T413 W414 H419 I420 M421M184-L417 HydrophobicContact CE-CD1 3.93Å; M184-L417 HydrophobicContact CE-CD2 3.78Å; M184-L417 HydrophobicContact CE-CG 4.31Å; M184-L417 HydrophobicContact SD-CD1 4.14Å; T202-L417 HydrophobicContact CG2-CD1 4.32Å; I313-L417 HydrophobicContact CD1-CD2 3.97Å; I313-L417 HydrophobicContact CG2-CD2 3.87Å; F389-L417 HydrophobicContact CD2-CD2 4.35Å; F389-L417 HydrophobicContact CE2-CD2 3.75Å; F389-L417 HydrophobicContact CZ-CD2 4.21Å; T413-L417 HydrophobicContact CG2-CD1 3.95Å; T413-L417 HydrophobicContact CG2-CG 4.1Å; T413-L417 WeakPolarHBondContact O-CG 3.49Å; T413-L417 PolarHBondContact O-N 2.85Å; W414-L417 HydrophobicContact CE3-CB 4.46Å; W414-L417 PolarHBondContact O-N 3.45Å; L417-H419 VanDerWaalsContact C-N 3.29Å; L417-H419 PolarHBondContact O-N 2.97Å; L417-I420 PolarHBondContact O-N 3.39Å; L417-M421 VanDerWaalsContact O-CG 3.27Å; L417-M421 WeakPolarHBondContact O-CG 3.45Å; L417-M421 PolarHBondContact O-N 3.15Å
418K98.8Very high98.1Very high32 Ų3226.7 Ų26.714%0.13914%0.137CC..Hα-helixtrans-57.6-42.8177.5-174.7179.2178.5-176.60111.8D213 S215 W414 A416 M421 E422D213-K418 WeakPolarHBondContact OD1-CE 3.08Å; D213-K418 IonicContact OD1-NZ 2.69Å; D213-K418 PolarHBondContact OD1-NZ 3.25Å; D213-K418 IonicContact OD2-NZ 3.71Å; D213-K418 PolarHBondContact OD2-NZ 2.94Å; S215-K418 VanDerWaalsContact CB-CE 3.5Å; W414-K418 HydrophobicContact CZ2-CB 4.49Å; W414-K418 HydrophobicContact CZ2-CD 4.39Å; W414-K418 WeakPolarHBondContact O-CB 3.06Å; W414-K418 PolarHBondContact O-N 3.24Å; A416-K418 VanDerWaalsContact C-N 3.35Å; A416-K418 PolarHBondContact O-N 3.06Å; K418-M421 HydrophobicContact CB-CE 4.47Å; K418-M421 PolarHBondContact O-N 2.78Å; K418-E422 WeakPolarHBondContact CE-OE1 3.41Å; K418-E422 WeakPolarHBondContact O-CB 3.39Å; K418-E422 VanDerWaalsContact O-CG 3.24Å; K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 3.38Å
419H98.8Very high97.6Very high32 Ų3231.1 Ų31.115%0.14815%0.151CC..Hα-helixtrans-62.9-44.2176.6-174.764.1000112.8A345 A346 K349 L415 A416 L417 M421 E422 Y423A345-H419 WeakPolarHBondContact CB-NE2 3.27Å; A346-H419 HydrophobicContact CB-CB 4.42Å; A346-H419 PolarHBondContact N-CD2 3.08Å; K349-H419 HydrophobicContact CG-CB 4.14Å; L415-H419 PolarHBondContact O-N 3.01Å; A416-H419 WeakPolarHBondContact O-CB 3.29Å; A416-H419 PolarHBondContact O-N 3.31Å; A416-H419 VanDerWaalsContact O-N 3.17Å; L417-H419 VanDerWaalsContact C-N 3.29Å; L417-H419 PolarHBondContact O-N 2.97Å; H419-M421 VanDerWaalsContact C-N 3.35Å; H419-M421 PolarHBondContact O-N 3.31Å; H419-E422 IonicContact ND1-OE2 2.59Å; H419-E422 PolarHBondContact O-N 2.98Å; H419-Y423 PolarHBondContact O-N 3.12Å
420I98.9Very high97.5Very high0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-60.6-46.7176-65.6167.9000110.1I313 L322 V342 A346 F387 F389 A416 L417 E422 Y423 V424I313-I420 HydrophobicContact CD1-CG2 4.1Å; L322-I420 HydrophobicContact CD2-CD1 4.43Å; V342-I420 HydrophobicContact CG1-CG1 4.08Å; A346-I420 HydrophobicContact CB-CD1 4.18Å; A346-I420 HydrophobicContact CB-CG1 3.88Å; F387-I420 HydrophobicContact CD2-CD1 4.27Å; F387-I420 HydrophobicContact CD2-CG2 4.08Å; F387-I420 HydrophobicContact CE2-CG2 4.09Å; F387-I420 HydrophobicContact CG-CD1 4.4Å; F389-I420 HydrophobicContact CE2-CD1 3.9Å; F389-I420 HydrophobicContact CZ-CD1 3.9Å; A416-I420 WeakPolarHBondContact O-CG1 3.4Å; A416-I420 PolarHBondContact O-N 3.13Å; L417-I420 PolarHBondContact O-N 3.39Å; I420-E422 PolarHBondContact O-N 3.31Å; I420-Y423 PolarHBondContact O-N 3.21Å; I420-V424 HydrophobicContact CG2-CG2 4.19Å; I420-V424 WeakPolarHBondContact O-CG2 3.29Å; I420-V424 PolarHBondContact O-N 3.36Å
421M98.8Very high97.4Very high1 Ų134.4 Ų34.41%0.00517%0.167CC..Hα-helixtrans-63-40.3179.7-65.9-170.6-67.500112.8I182 V219 I225 W414 L417 K418 H419 V424 R425I182-M421 HydrophobicContact CD1-CB 3.99Å; I182-M421 HydrophobicContact CD1-CG 3.76Å; I182-M421 HydrophobicContact CD1-SD 4.22Å; I182-M421 HydrophobicContact CG2-CG 4.48Å; V219-M421 HydrophobicContact CG1-CB 4.12Å; V219-M421 HydrophobicContact CG2-CB 4.3Å; I225-M421 HydrophobicContact CD1-SD 3.61Å; I225-M421 HydrophobicContact CG1-SD 4.37Å; W414-M421 HydrophobicContact CH2-CE 3.78Å; W414-M421 HydrophobicContact CZ3-CE 3.63Å; L417-M421 VanDerWaalsContact O-CG 3.27Å; L417-M421 WeakPolarHBondContact O-CG 3.45Å; L417-M421 PolarHBondContact O-N 3.15Å; K418-M421 HydrophobicContact CB-CE 4.47Å; K418-M421 PolarHBondContact O-N 2.78Å; H419-M421 VanDerWaalsContact C-N 3.35Å; H419-M421 PolarHBondContact O-N 3.31Å; M421-V424 PolarHBondContact O-N 3.11Å; M421-R425 WeakPolarHBondContact O-CB 3.03Å; M421-R425 PolarHBondContact O-N 3.13Å
422E98.8Very high97.3Very high46 Ų4635.3 Ų35.322%0.21517%0.169CC..Hα-helixtrans-59.3-47.4172.1-74.8165.8179.600111.2S215 V219 K418 H419 I420 V424 R425 D426S215-E422 VanDerWaalsContact CB-OE1 3.29Å; S215-E422 WeakPolarHBondContact CB-OE1 3.36Å; S215-E422 WeakPolarHBondContact OG-CG 3.5Å; S215-E422 PolarHBondContact OG-OE1 3.26Å; V219-E422 HydrophobicContact CG2-CG 4.43Å; K418-E422 WeakPolarHBondContact CE-OE1 3.41Å; K418-E422 WeakPolarHBondContact O-CB 3.39Å; K418-E422 VanDerWaalsContact O-CG 3.24Å; K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 3.38Å; H419-E422 IonicContact ND1-OE2 2.59Å; H419-E422 PolarHBondContact O-N 2.98Å; I420-E422 PolarHBondContact O-N 3.31Å; E422-V424 PolarHBondContact O-N 2.71Å; E422-R425 WeakPolarHBondContact O-CB 3.31Å; E422-R425 PolarHBondContact O-N 3.09Å; E422-D426 PolarHBondContact O-N 3.06Å; E422-D426 VanDerWaalsContact O-N 3.14Å
423Y98.8Very high97.2Very high31 Ų3137.4 Ų37.412%0.12218%0.179CC..Hα-helixtrans-62-44.7179.7-169.5-83.6000111.5E338 Y341 V342 Y385 H419 I420 R425 D426 H427E338-Y423 HydrophobicContact CG-CE1 4.22Å; E338-Y423 WeakPolarHBondContact CG-OH 3.07Å; E338-Y423 VanDerWaalsContact OE1-CE1 3.28Å; E338-Y423 WeakPolarHBondContact OE1-CE1 3.4Å; E338-Y423 PolarHBondContact OE1-OH 3.24Å; Y341-Y423 HydrophobicContact CD1-CE2 4.21Å; Y341-Y423 AromaticContact CE1-CE2 3.96Å; Y341-Y423 HydrophobicContact CE1-CE2 3.96Å; V342-Y423 HydrophobicContact CG1-CD1 4.45Å; V342-Y423 HydrophobicContact CG1-CG 4.32Å; V342-Y423 HydrophobicContact CG2-CD1 3.43Å; V342-Y423 VanDerWaalsContact CG2-CD1 3.43Å; V342-Y423 HydrophobicContact CG2-CD2 3.75Å; V342-Y423 HydrophobicContact CG2-CE1 3.41Å; V342-Y423 VanDerWaalsContact CG2-CE1 3.41Å; V342-Y423 HydrophobicContact CG2-CE2 3.73Å; V342-Y423 HydrophobicContact CG2-CG 3.6Å; Y385-Y423 AromaticContact CE1-CD1 3.89Å; Y385-Y423 HydrophobicContact CE1-CD1 3.89Å; Y385-Y423 AromaticContact CE1-CE1 3.68Å; Y385-Y423 HydrophobicContact CE1-CE1 3.68Å; Y385-Y423 AromaticContact CZ-CE1 3.9Å; H419-Y423 PolarHBondContact O-N 3.12Å; I420-Y423 PolarHBondContact O-N 3.21Å; Y423-R425 VanDerWaalsContact C-N 3.34Å; Y423-R425 PolarHBondContact O-N 3.03Å; Y423-D426 PolarHBondContact O-N 2.9Å; Y423-H427 HydrophobicContact CD1-CB 4.36Å; Y423-H427 AromaticContact CD1-ND1 3.76Å; Y423-H427 AromaticContact CD2-CE1 3.84Å; Y423-H427 AromaticContact CD2-ND1 3.82Å; Y423-H427 HydrophobicContact CE1-CB 3.98Å; Y423-H427 AromaticContact CE1-CG 3.77Å; Y423-H427 AromaticContact CE1-ND1 3.65Å; Y423-H427 AromaticContact CE2-CE1 3.56Å; Y423-H427 AromaticContact CE2-ND1 3.72Å; Y423-H427 AromaticContact CG-ND1 3.84Å; Y423-H427 AromaticContact CZ-CE1 3.8Å; Y423-H427 AromaticContact CZ-CG 3.86Å; Y423-H427 AromaticContact CZ-ND1 3.64Å; Y423-H427 WeakPolarHBondContact O-CB 3.34Å; Y423-H427 PolarHBondContact O-N 2.99Å; Y423-H427 PolarHBondContact O-ND1 3.29Å
424V98.5Very high97.1Very high1 Ų139.8 Ų39.81%0.00619%0.19CC..Hα-helixtrans-63.3-40.3178.7178.80000111.5M223 K310 Y385 I420 M421 E422 D426 H427M223-V424 HydrophobicContact CE-CG1 3.58Å; M223-V424 HydrophobicContact SD-CG1 4.09Å; K310-V424 HydrophobicContact CB-CG1 3.7Å; Y385-V424 HydrophobicContact CD1-CG2 4.41Å; Y385-V424 HydrophobicContact CD2-CB 4.01Å; Y385-V424 HydrophobicContact CD2-CG1 3.77Å; Y385-V424 HydrophobicContact CD2-CG2 3.4Å; Y385-V424 HydrophobicContact CE2-CB 4.3Å; Y385-V424 HydrophobicContact CE2-CG1 4.12Å; Y385-V424 HydrophobicContact CE2-CG2 4.04Å; Y385-V424 HydrophobicContact CG-CG2 3.62Å; I420-V424 HydrophobicContact CG2-CG2 4.19Å; I420-V424 WeakPolarHBondContact O-CG2 3.29Å; I420-V424 PolarHBondContact O-N 3.36Å; M421-V424 PolarHBondContact O-N 3.11Å; E422-V424 PolarHBondContact O-N 2.71Å; V424-D426 VanDerWaalsContact C-N 3.28Å; V424-D426 PolarHBondContact O-N 3.08Å; V424-H427 CarbonylContact O-C 3.56Å; V424-H427 PolarHBondContact O-N 2.04Å
425R98.4Very high97Very high48 Ų4841.7 Ų41.718%0.18120%0.201CC..Hα-helixtrans-57.8-42.3174.9179.7-15967.8-138.9-11111.5S218 V219 T222 M223 M421 E422 Y423S218-R425 PolarHBondContact OG-NH1 3.36Å; V219-R425 HydrophobicContact CG2-CB 4.45Å; T222-R425 HydrophobicContact CG2-CG 4.06Å; M223-R425 HydrophobicContact SD-CB 4.07Å; M421-R425 WeakPolarHBondContact O-CB 3.03Å; M421-R425 PolarHBondContact O-N 3.13Å; E422-R425 WeakPolarHBondContact O-CB 3.31Å; E422-R425 PolarHBondContact O-N 3.09Å; Y423-R425 VanDerWaalsContact C-N 3.34Å; Y423-R425 PolarHBondContact O-N 3.03Å
426D98.4Very high96.9Very high91 Ų9140.9 Ų40.949%0.48720%0.195SC..Hα-helixtrans-83.5-19.1-174.2-65.3-16.4000113.3E422 Y423 V424 P428E422-D426 PolarHBondContact O-N 3.06Å; E422-D426 VanDerWaalsContact O-N 3.14Å; Y423-D426 PolarHBondContact O-N 2.9Å; V424-D426 VanDerWaalsContact C-N 3.28Å; V424-D426 PolarHBondContact O-N 3.08Å; D426-P428 WeakPolarHBondContact O-CD 3.44Å
427H97.8Very high96.7Very high80 Ų8044.1 Ų44.137%0.3721%0.21SC..SBendtrans-125.758.6-178-53.683000111.9Y385 Y423 V424Y385-H427 WeakPolarHBondContact CE2-O 3.38Å; Y385-H427 VanDerWaalsContact OH-CB 3.24Å; Y385-H427 WeakPolarHBondContact OH-CB 3.36Å; Y385-H427 PolarHBondContact OH-O 3.19Å; Y423-H427 HydrophobicContact CD1-CB 4.36Å; Y423-H427 AromaticContact CD1-ND1 3.76Å; Y423-H427 AromaticContact CD2-CE1 3.84Å; Y423-H427 AromaticContact CD2-ND1 3.82Å; Y423-H427 HydrophobicContact CE1-CB 3.98Å; Y423-H427 AromaticContact CE1-CG 3.77Å; Y423-H427 AromaticContact CE1-ND1 3.65Å; Y423-H427 AromaticContact CE2-CE1 3.56Å; Y423-H427 AromaticContact CE2-ND1 3.72Å; Y423-H427 AromaticContact CG-ND1 3.84Å; Y423-H427 AromaticContact CZ-CE1 3.8Å; Y423-H427 AromaticContact CZ-CG 3.86Å; Y423-H427 AromaticContact CZ-ND1 3.64Å; Y423-H427 WeakPolarHBondContact O-CB 3.34Å; Y423-H427 PolarHBondContact O-N 2.99Å; Y423-H427 PolarHBondContact O-ND1 3.29Å; V424-H427 CarbonylContact O-C 3.56Å; V424-H427 PolarHBondContact O-N 2.04Å
428P85.9Confident96.6Very high89 Ų8947.6 Ų47.658%0.57823%0.227SC*.  trans-67.4141.8173.331.4-34.2000109.7D426D426-P428 WeakPolarHBondContact O-CD 3.44Å
429Y87.1Confident96.4Very high120 Ų12049 Ų4947%0.47124%0.235SC..  trans-125.70179.565.2-86.3000111.6K310 G382 I383 K384 Y385K310-Y429 HydrophobicContact CB-CE1 4.29Å; K310-Y429 HydrophobicContact CD-CE1 4.07Å; K310-Y429 PolarHBondContact NZ-O 3.04Å; K310-Y429 PolarHBondContact O-OH 3.15Å; G382-Y429 VanDerWaalsContact O-CE2 3.31Å; G382-Y429 WeakPolarHBondContact O-CE2 3.47Å; G382-Y429 PolarHBondContact O-OH 2.72Å; I383-Y429 VanDerWaalsContact CA-OH 3.28Å; I383-Y429 WeakPolarHBondContact CA-OH 3.21Å; K384-Y429 HydrophobicContact CB-CD1 4.08Å; K384-Y429 HydrophobicContact CB-CE1 3.5Å; K384-Y429 VanDerWaalsContact CB-CE1 3.5Å; K384-Y429 HydrophobicContact CB-CE2 3.99Å; K384-Y429 VanDerWaalsContact CB-CZ 3.46Å; K384-Y429 HydrophobicContact CD-CD1 4.04Å; K384-Y429 HydrophobicContact CD-CE1 4.29Å; K384-Y429 HydrophobicContact CD-CG 4.36Å; K384-Y429 HydrophobicContact CG-CE1 4.49Å; K384-Y429 PolarHBondContact N-OH 3.44Å; Y385-Y429 HydrophobicContact CD2-CD1 4.39Å; Y385-Y429 AromaticContact CD2-CE1 3.9Å; Y385-Y429 HydrophobicContact CD2-CE1 3.9Å; Y385-Y429 AromaticContact CE2-CD1 3.81Å; Y385-Y429 HydrophobicContact CE2-CD1 3.81Å; Y385-Y429 AromaticContact CE2-CE1 3.8Å; Y385-Y429 HydrophobicContact CE2-CE1 3.8Å

Retrieved 429 of 429 residues in 889 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).