A0A087YBM7_POEFO Loading...

Hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase

AlphaFold DB , UniProt , Accession A0A087YBM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T49.5Very low73.3Confident139 Ų139102.5 Ų102.585%0.85351%0.513SS*.  0118.60-2.90000107.7E3 E4T1-E3 PolarHBondContact O-N 3.16Å; T1-E4 PolarHBondContact O-N 3.12Å; T1-E4 PolarHBondContact OG1-OE2 3.16Å
2M47.1Very low75.4Confident196 Ų19694 Ų9497%0.96647%0.471SS*.THydrogen-bonded Turntrans-59.2-16.8-172.3-76.5-176.6174.400114.3
3E49Very low77.3Confident176 Ų17686.8 Ų86.882%0.82244%0.435SS*.THydrogen-bonded Turntrans-74.8-27.1173.9-90.9178.8147.500114.8T1 N5T1-E3 PolarHBondContact O-N 3.16Å; E3-N5 PolarHBondContact O-N 2.89Å
4E51.7Low78.8Confident129 Ų12980.6 Ų80.660%0.60340%0.404SS*.THydrogen-bonded Turntrans-75-24.5-177.2-80.9170.4139.500113.4T1T1-E4 PolarHBondContact O-N 3.12Å; T1-E4 PolarHBondContact OG1-OE2 3.16Å
5N57.2Low80.1Confident150 Ų15075.9 Ų75.980%0.80238%0.384SS*.THydrogen-bonded Turntrans-93.55.5179.6-87.47.2000113.9E3 R7E3-N5 PolarHBondContact O-N 2.89Å; N5-R7 PolarHBondContact O-N 3.38Å
6K78.4Confident81.1Confident145 Ų14571.2 Ų71.263%0.6336%0.36SS*.  trans-76.8114.6-179.4-163178.7-178.5-179.80110.4T8K6-T8 HydrophobicContact CB-CG2 4.33Å; K6-T8 HydrophobicContact CD-CG2 4.19Å; K6-T8 HydrophobicContact CG-CG2 4.01Å; K6-T8 PolarHBondContact O-N 3.34Å; K6-T8 PolarHBondContact O-OG1 3.44Å
7R85.8Confident81.9Confident84 Ų8467.7 Ų67.732%0.31734%0.343SS..  trans-63.3123.9167-74.7172.1178.8175.715.2109.4N5 E33 K34 L35 A36 E57N5-R7 PolarHBondContact O-N 3.38Å; R7-E33 WeakPolarHBondContact CG-O 3.48Å; R7-E33 PolarHBondContact NE-O 3.4Å; R7-K34 WeakPolarHBondContact CA-O 3.24Å; R7-L35 WeakPolarHBondContact CB-O 3.29Å; R7-L35 WeakPolarHBondContact CD-O 3.28Å; R7-L35 VanDerWaalsContact CG-O 3.23Å; R7-L35 WeakPolarHBondContact CG-O 3.48Å; R7-A36 HydrophobicContact CB-CB 4.09Å; R7-E57 IonicContact CZ-OE2 2.67Å; R7-E57 VanDerWaalsContact NH1-C 3.3Å; R7-E57 PolarHBondContact NH1-O 2.83Å; R7-E57 IonicContact NH1-OE2 3.84Å; R7-E57 PolarHBondContact NH1-OE2 3.13Å; R7-E57 IonicContact NH2-OE2 3.42Å; R7-E57 PolarHBondContact NH2-OE2 2.89Å
8T93.9Very high82.7Confident77 Ų7765.7 Ų65.747%0.47234%0.342SS..  trans-141.3-17.4-171.845.60000113.2K6 K34K6-T8 HydrophobicContact CB-CG2 4.33Å; K6-T8 HydrophobicContact CD-CG2 4.19Å; K6-T8 HydrophobicContact CG-CG2 4.01Å; K6-T8 PolarHBondContact O-N 3.34Å; K6-T8 PolarHBondContact O-OG1 3.44Å; T8-K34 PolarHBondContact N-O 2.84Å
9L96.9Very high83.4Confident12 Ų1264.8 Ų64.86%0.06334%0.335CS..EExtended strand (participates in β ladder)trans-85.5131.1-173.3-64.5-177.9000111.9Y11 K34 A36 E37 D81L9-Y11 HydrophobicContact CB-CD2 4.14Å; L9-Y11 HydrophobicContact CB-CE2 3.78Å; L9-Y11 HydrophobicContact CD1-CE2 3.89Å; L9-Y11 HydrophobicContact CG-CE2 4.47Å; L9-K34 HydrophobicContact CD1-CB 3.92Å; L9-K34 HydrophobicContact CG-CB 4.04Å; L9-K34 PolarHBondContact N-O 2.67Å; L9-A36 PolarHBondContact O-N 3.41Å; L9-E37 PolarHBondContact O-N 3.45Å; L9-D81 WeakPolarHBondContact CA-OD2 3.5Å; L9-D81 HydrophobicContact CD2-CB 4.09Å
10V98.4Very high84.1Confident19 Ų1962.2 Ų62.212%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-104119.5169.9-178.10000109.1E37 V80 D81 V82V10-E37 WeakPolarHBondContact CA-O 3.41Å; V10-E37 HydrophobicContact CB-CB 4.49Å; V10-E37 HydrophobicContact CG1-CB 4.14Å; V10-E37 HydrophobicContact CG1-CG 4.38Å; V10-E37 WeakPolarHBondContact CG1-OE2 3.36Å; V10-E37 HydrophobicContact CG2-CB 4.13Å; V10-V80 HydrophobicContact CG1-CG2 4.06Å; V10-D81 PolarHBondContact N-OD2 3.35Å; V10-D81 PolarHBondContact O-N 3.06Å; V10-V82 PolarHBondContact O-N 3.32Å
11Y98.8Very high84.7Confident0 Ų059.2 Ų59.20%031%0.306CS..EExtended strand (participates in β ladder)trans-103.2140.9174.6-80.2-111.1000110.7L9 L28 E32 L35 E37 V38 R39 V82 I84 A243L9-Y11 HydrophobicContact CB-CD2 4.14Å; L9-Y11 HydrophobicContact CB-CE2 3.78Å; L9-Y11 HydrophobicContact CD1-CE2 3.89Å; L9-Y11 HydrophobicContact CG-CE2 4.47Å; Y11-L28 HydrophobicContact CD1-CD1 4.07Å; Y11-L28 HydrophobicContact CD1-CD2 3.67Å; Y11-L28 HydrophobicContact CD2-CD2 4.45Å; Y11-L28 HydrophobicContact CE1-CD2 3.69Å; Y11-L28 HydrophobicContact CE2-CD2 4.44Å; Y11-L28 HydrophobicContact CG-CD1 4.34Å; Y11-L28 HydrophobicContact CG-CD2 4.07Å; Y11-E32 HydrophobicContact CE2-CG 3.83Å; Y11-L35 HydrophobicContact CD2-CD1 3.36Å; Y11-L35 HydrophobicContact CE2-CD1 4.03Å; Y11-L35 HydrophobicContact CG-CD1 4.03Å; Y11-E37 PolarHBondContact N-O 3.48Å; Y11-V38 CarbonylContact O-C 3.53Å; Y11-V38 WeakPolarHBondContact O-CA 3.21Å; Y11-R39 PolarHBondContact O-N 3.36Å; Y11-V82 CarbonylContact C-O 3.47Å; Y11-V82 WeakPolarHBondContact CA-O 2.97Å; Y11-V82 HydrophobicContact CD1-CB 3.65Å; Y11-V82 HydrophobicContact CD1-CG1 3.79Å; Y11-V82 HydrophobicContact CD1-CG2 4.33Å; Y11-V82 HydrophobicContact CD2-CB 4.44Å; Y11-V82 HydrophobicContact CE1-CB 3.6Å; Y11-V82 HydrophobicContact CE1-CG1 3.54Å; Y11-V82 HydrophobicContact CE1-CG2 3.85Å; Y11-V82 HydrophobicContact CE2-CB 4.42Å; Y11-V82 HydrophobicContact CE2-CG2 4.14Å; Y11-V82 HydrophobicContact CG-CB 4.09Å; Y11-I84 HydrophobicContact CD1-CD1 4.1Å; Y11-I84 HydrophobicContact CD1-CG1 4.4Å; Y11-I84 HydrophobicContact CE1-CD1 4.42Å; Y11-A243 HydrophobicContact CE1-CB 4.06Å
12L98.9Very high87Confident1 Ų155.3 Ų55.31%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-112.3121.9167.2174.264.8000109.8T14 R39 F41 A76 V80 V82 V83 I84L12-T14 HydrophobicContact CD2-CG2 4.43Å; L12-T14 HydrophobicContact CG-CG2 4.38Å; L12-R39 WeakPolarHBondContact CA-O 3.35Å; L12-R39 HydrophobicContact CD1-CB 3.67Å; L12-F41 HydrophobicContact CD1-CB 3.7Å; L12-A76 HydrophobicContact CD1-CB 4.09Å; L12-A76 HydrophobicContact CD2-CB 4.23Å; L12-V80 HydrophobicContact CB-CB 4.47Å; L12-V80 HydrophobicContact CB-CG1 3.76Å; L12-V80 HydrophobicContact CB-CG2 3.9Å; L12-V82 PolarHBondContact N-O 3.41Å; L12-V83 HydrophobicContact CB-CG2 4.19Å; L12-V83 HydrophobicContact CD2-CG2 4.14Å; L12-V83 WeakPolarHBondContact O-CA 3.37Å; L12-I84 PolarHBondContact O-N 2.95Å
13I98.9Very high89.4Confident0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-103.6112.8170.3-49.7171000107.9L24 L25 L28 V38 R39 F41 I84I13-L24 HydrophobicContact CD1-CB 4.09Å; I13-L24 HydrophobicContact CG2-CB 4.43Å; I13-L24 HydrophobicContact CG2-CD1 4.17Å; I13-L25 HydrophobicContact CD1-CB 3.94Å; I13-L28 HydrophobicContact CD1-CD1 3.74Å; I13-L28 HydrophobicContact CG1-CD1 4.01Å; I13-V38 HydrophobicContact CD1-CG1 3.62Å; I13-V38 HydrophobicContact CG1-CG1 3.94Å; I13-R39 PolarHBondContact N-O 2.77Å; I13-F41 PolarHBondContact O-N 2.99Å; I13-I84 WeakPolarHBondContact CA-O 3.5Å
14T98.8Very high91.8Very high1 Ų138.4 Ų38.41%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-84.7139.8167680000109.7L12 G16 F41 I67 I84 H85 S86 A87 V112L12-T14 HydrophobicContact CD2-CG2 4.43Å; L12-T14 HydrophobicContact CG-CG2 4.38Å; T14-G16 VanDerWaalsContact C-N 3.27Å; T14-F41 CarbonylContact C-O 3.51Å; T14-F41 WeakPolarHBondContact CA-O 3.24Å; T14-F41 HydrophobicContact CG2-CD1 4.14Å; T14-I67 HydrophobicContact CG2-CD1 3.87Å; T14-I84 PolarHBondContact N-O 3.46Å; T14-H85 VanDerWaalsContact OG1-CA 3.29Å; T14-H85 WeakPolarHBondContact OG1-CA 3.28Å; T14-H85 PolarHBondContact OG1-ND1 2.98Å; T14-S86 CarbonylContact O-C 3.5Å; T14-S86 WeakPolarHBondContact O-CA 3.4Å; T14-S86 WeakPolarHBondContact O-CB 3.25Å; T14-S86 PolarHBondContact O-N 3.34Å; T14-S86 PolarHBondContact OG1-N 3.44Å; T14-A87 PolarHBondContact O-N 2.63Å; T14-A87 PolarHBondContact OG1-N 2.87Å; T14-V112 HydrophobicContact CG2-CG2 4.25Å
15G97.8Very high93.9Very high10 Ų1032.3 Ų32.310%0.10317%0.168CC..THydrogen-bonded Turntrans71.926.4-171.800000112.1C17 G18 F41 D42G15-C17 PolarHBondContact O-N 2.87Å; G15-G18 PolarHBondContact O-N 3.34Å; G15-F41 PolarHBondContact N-O 2.99Å; G15-D42 VanDerWaalsContact CA-OD2 3.26Å; G15-D42 WeakPolarHBondContact CA-OD2 3.35Å
16G96.6Very high95.8Very high0 Ų028 Ų280%015%0.145CC..THydrogen-bonded Turntrans-68.9-17.2-171.100000114.4T14 G21 K22 F41 D42T14-G16 VanDerWaalsContact C-N 3.27Å; G16-G21 CarbonylContact O-C 3.39Å; G16-K22 PolarHBondContact O-N 3.09Å; G16-F41 PolarHBondContact N-O 3.38Å; G16-D42 PolarHBondContact N-OD2 3.02Å
17C95.7Very high96.8Very high12 Ų1221.3 Ų21.38%0.08112%0.116CC..THydrogen-bonded Turntrans-90.4-6.2172.8-61.20000113.1G15 K22 D42 H44 F49G15-C17 PolarHBondContact O-N 2.87Å; C17-K22 WeakPolarHBondContact O-CE 3.45Å; C17-D42 WeakPolarHBondContact CA-OD2 3.33Å; C17-D42 HydrophobicContact CB-CB 3.86Å; C17-D42 WeakPolarHBondContact CB-OD2 3.46Å; C17-D42 PolarHBondContact N-OD2 3.29Å; C17-H44 WeakPolarHBondContact CB-O 3.47Å; C17-F49 HydrophobicContact CB-CD2 4.27Å; C17-F49 HydrophobicContact CB-CE2 4.03Å
18G95Very high97.3Very high31 Ų3117.3 Ų17.332%0.3210%0.101SC..SBendtrans-71.8177.6175.700000113.9G15 G21 K22G15-G18 PolarHBondContact O-N 3.34Å; G18-G21 PolarHBondContact O-N 3.49Å; G18-K22 WeakPolarHBondContact O-CG 3.4Å; G18-K22 PolarHBondContact O-N 3.16Å; G18-K22 VanDerWaalsContact O-N 3.15Å
19F96Very high97.4Very high49 Ų4915.6 Ų15.622%0.2159%0.089CC..Hα-helixtrans-54.6-61.6-179.5166.7-129.7000112G21 H23 I195 E198 G199 H200 A232F19-G21 VanDerWaalsContact C-N 3.34Å; F19-G21 PolarHBondContact O-N 3.21Å; F19-H23 AromaticContact CE2-NE2 3.88Å; F19-H23 PolarHBondContact O-CD2 3.49Å; F19-I195 HydrophobicContact CE1-CB 3.98Å; F19-I195 HydrophobicContact CE1-CG2 3.49Å; F19-I195 VanDerWaalsContact CE1-CG2 3.49Å; F19-I195 HydrophobicContact CZ-CG2 3.89Å; F19-E198 WeakPolarHBondContact CD2-O 3.25Å; F19-E198 WeakPolarHBondContact CE2-O 3.11Å; F19-G199 VanDerWaalsContact CD2-C 3.48Å; F19-H200 AromaticContact CD1-CD2 3.95Å; F19-H200 HydrophobicContact CD2-CB 4.31Å; F19-H200 HydrophobicContact CE1-CB 4.07Å; F19-H200 AromaticContact CE1-CD2 3.65Å; F19-H200 HydrophobicContact CE2-CB 3.8Å; F19-H200 HydrophobicContact CZ-CB 3.67Å; F19-A232 HydrophobicContact CE1-CB 4.32Å; F19-A232 HydrophobicContact CE2-CB 3.95Å; F19-A232 HydrophobicContact CZ-CB 3.65Å
20L98.1Very high97.4Very high12 Ų1220.4 Ų20.46%0.06311%0.111CC..Hα-helixtrans-67.3-34.3178.2-178.662.7000112.5K22 H23 L24 T127 I195 V235L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.13Å; L20-H23 PolarHBondContact O-N 3.37Å; L20-H23 VanDerWaalsContact O-N 3.15Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CD2-CD1 4.32Å; L20-L24 HydrophobicContact CG-CD1 3.93Å; L20-L24 HydrophobicContact CG-CG 4.15Å; L20-L24 WeakPolarHBondContact O-CG 3.12Å; L20-L24 PolarHBondContact O-N 3.05Å; L20-T127 HydrophobicContact CD2-CG2 3.52Å; L20-I195 HydrophobicContact CD2-CD1 4.28Å; L20-V235 HydrophobicContact CD1-CB 3.83Å; L20-V235 HydrophobicContact CD1-CG1 3.66Å; L20-V235 HydrophobicContact CD2-CG1 3.81Å; L20-V235 HydrophobicContact CG-CG1 4.4Å
21G97.4Very high97.3Very high0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-56-39.8-179.600000114G16 G18 F19 L24 L25G16-G21 CarbonylContact O-C 3.39Å; G18-G21 PolarHBondContact O-N 3.49Å; F19-G21 VanDerWaalsContact C-N 3.34Å; F19-G21 PolarHBondContact O-N 3.21Å; G21-L24 WeakPolarHBondContact O-CB 3.03Å; G21-L24 PolarHBondContact O-N 2.77Å; G21-L25 PolarHBondContact O-N 3.04Å
22K96.3Very high97.1Very high58 Ų5823 Ų2325%0.25212%0.121SC..Hα-helixtrans-64.9-45.4175.9-69.6177.7-161.4-172.30112.2G16 C17 G18 L20 L24 L25 D26 Y46 F49G16-K22 PolarHBondContact O-N 3.09Å; C17-K22 WeakPolarHBondContact O-CE 3.45Å; G18-K22 WeakPolarHBondContact O-CG 3.4Å; G18-K22 PolarHBondContact O-N 3.16Å; G18-K22 VanDerWaalsContact O-N 3.15Å; L20-K22 VanDerWaalsContact C-N 3.3Å; L20-K22 PolarHBondContact O-N 3.13Å; K22-L24 VanDerWaalsContact C-N 3.31Å; K22-L24 PolarHBondContact O-N 3.41Å; K22-L25 PolarHBondContact O-N 3.1Å; K22-D26 WeakPolarHBondContact O-CB 3.47Å; K22-D26 PolarHBondContact O-N 2.66Å; K22-Y46 WeakPolarHBondContact CE-OH 3.35Å; K22-Y46 PolarHBondContact NZ-OH 3.31Å; K22-F49 HydrophobicContact CD-CE2 4.46Å; K22-F49 HydrophobicContact CG-CE2 3.91Å; K22-F49 HydrophobicContact CG-CZ 4.44Å
23H98.1Very high96.9Very high17 Ų1730.5 Ų30.58%0.07916%0.156CC..Hα-helixtrans-63.5-37.8175.5-72.4-86.8000111.6F19 L20 D26 V27 E198 A232 A236F19-H23 AromaticContact CE2-NE2 3.88Å; F19-H23 PolarHBondContact O-CD2 3.49Å; L20-H23 PolarHBondContact O-N 3.37Å; L20-H23 VanDerWaalsContact O-N 3.15Å; H23-D26 PolarHBondContact O-N 3.4Å; H23-V27 WeakPolarHBondContact O-CB 3.16Å; H23-V27 VanDerWaalsContact O-CG2 3.29Å; H23-V27 WeakPolarHBondContact O-CG2 3.03Å; H23-V27 PolarHBondContact O-N 2.75Å; H23-E198 IonicContact CE1-OE2 3.73Å; H23-E198 PolarHBondContact CE1-OE2 2.96Å; H23-E198 PolarHBondContact NE2-O 2.97Å; H23-A232 HydrophobicContact CB-CB 4.23Å; H23-A232 VanDerWaalsContact CD2-CB 3.43Å; H23-A232 WeakPolarHBondContact CD2-CB 3.38Å; H23-A236 HydrophobicContact CB-CB 4.08Å; H23-A236 WeakPolarHBondContact O-CB 3.45Å
24L98.6Very high96.7Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-60.2-46.5173.6-77.3165.8000112.1I13 L20 G21 K22 L28 I84 A236 H239I13-L24 HydrophobicContact CD1-CB 4.09Å; I13-L24 HydrophobicContact CG2-CB 4.43Å; I13-L24 HydrophobicContact CG2-CD1 4.17Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CD2-CD1 4.32Å; L20-L24 HydrophobicContact CG-CD1 3.93Å; L20-L24 HydrophobicContact CG-CG 4.15Å; L20-L24 WeakPolarHBondContact O-CG 3.12Å; L20-L24 PolarHBondContact O-N 3.05Å; G21-L24 WeakPolarHBondContact O-CB 3.03Å; G21-L24 PolarHBondContact O-N 2.77Å; K22-L24 VanDerWaalsContact C-N 3.31Å; K22-L24 PolarHBondContact O-N 3.41Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-I84 HydrophobicContact CD1-CG2 3.73Å; L24-I84 HydrophobicContact CD2-CD1 4.22Å; L24-I84 HydrophobicContact CD2-CG2 4.06Å; L24-A236 HydrophobicContact CD2-CB 3.88Å; L24-A236 HydrophobicContact CG-CB 4.1Å; L24-H239 HydrophobicContact CD2-CB 3.58Å
25L97.6Very high96.6Very high0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-63.1-48.7176.8176.856.5000111.2I13 G21 K22 V27 L28 L29 V38 V40 F49 R53 V60I13-L25 HydrophobicContact CD1-CB 3.94Å; G21-L25 PolarHBondContact O-N 3.04Å; K22-L25 PolarHBondContact O-N 3.1Å; L25-V27 PolarHBondContact O-N 3.21Å; L25-L28 PolarHBondContact O-N 2.84Å; L25-L29 HydrophobicContact CD1-CD1 3.87Å; L25-L29 HydrophobicContact CD1-CD2 4.48Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 2.89Å; L25-V38 HydrophobicContact CD1-CB 3.86Å; L25-V38 HydrophobicContact CD1-CG1 3.64Å; L25-V38 HydrophobicContact CD1-CG2 4.09Å; L25-V40 HydrophobicContact CD1-CG2 4.35Å; L25-V40 HydrophobicContact CD2-CG2 3.77Å; L25-F49 HydrophobicContact CD2-CE1 3.61Å; L25-F49 HydrophobicContact CD2-CZ 3.74Å; L25-R53 HydrophobicContact CD2-CB 4.37Å; L25-R53 HydrophobicContact CD2-CG 4.41Å; L25-V60 HydrophobicContact CD1-CG1 4.33Å; L25-V60 HydrophobicContact CD2-CG1 4.36Å
26D96.6Very high96.5Very high61 Ų6135.8 Ų35.833%0.32618%0.182SC..Hα-helixtrans-61-44.6-178.5-63.6-20.2000111.1K22 H23 E30 R53K22-D26 WeakPolarHBondContact O-CB 3.47Å; K22-D26 PolarHBondContact O-N 2.66Å; H23-D26 PolarHBondContact O-N 3.4Å; D26-E30 WeakPolarHBondContact O-CB 3.43Å; D26-E30 PolarHBondContact O-N 2.63Å; D26-E30 VanDerWaalsContact O-N 3.08Å; D26-R53 WeakPolarHBondContact OD1-CD 3.35Å; D26-R53 IonicContact OD1-CZ 2.82Å; D26-R53 IonicContact OD1-NE 3.74Å; D26-R53 PolarHBondContact OD1-NE 2.94Å; D26-R53 IonicContact OD1-NH2 2.99Å; D26-R53 PolarHBondContact OD1-NH2 2.99Å; D26-R53 IonicContact OD2-CZ 3.5Å; D26-R53 IonicContact OD2-NE 2.74Å; D26-R53 IonicContact OD2-NH2 3.44Å; D26-R53 PolarHBondContact OD2-NH2 2.76Å
27V97.9Very high96.6Very high4 Ų436.8 Ų36.82%0.02419%0.186CC..Hα-helixtrans-71-35.1177.7174.40000112.4H23 L25 E30 K31 A236 W237 V240 L344H23-V27 WeakPolarHBondContact O-CB 3.16Å; H23-V27 VanDerWaalsContact O-CG2 3.29Å; H23-V27 WeakPolarHBondContact O-CG2 3.03Å; H23-V27 PolarHBondContact O-N 2.75Å; L25-V27 PolarHBondContact O-N 3.21Å; V27-E30 PolarHBondContact O-N 3.45Å; V27-K31 HydrophobicContact CG1-CB 4.35Å; V27-K31 HydrophobicContact CG1-CG 4Å; V27-K31 VanDerWaalsContact O-CB 3.25Å; V27-K31 WeakPolarHBondContact O-CB 2.98Å; V27-K31 PolarHBondContact O-N 3.25Å; V27-A236 HydrophobicContact CB-CB 4.01Å; V27-A236 HydrophobicContact CG2-CB 3.84Å; V27-W237 HydrophobicContact CG1-CB 4.26Å; V27-W237 HydrophobicContact CG1-CE3 4.17Å; V27-V240 HydrophobicContact CG1-CG2 4.03Å; V27-L344 HydrophobicContact CG1-CD2 4.4Å; V27-L344 HydrophobicContact CG2-CD2 4.47Å
28L97.9Very high96.7Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-63-48.5174.1-86.1167.9000111.1Y11 I13 L24 L25 E30 K31 E32 L35 V38 I84 V240Y11-L28 HydrophobicContact CD1-CD1 4.07Å; Y11-L28 HydrophobicContact CD1-CD2 3.67Å; Y11-L28 HydrophobicContact CD2-CD2 4.45Å; Y11-L28 HydrophobicContact CE1-CD2 3.69Å; Y11-L28 HydrophobicContact CE2-CD2 4.44Å; Y11-L28 HydrophobicContact CG-CD1 4.34Å; Y11-L28 HydrophobicContact CG-CD2 4.07Å; I13-L28 HydrophobicContact CD1-CD1 3.74Å; I13-L28 HydrophobicContact CG1-CD1 4.01Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.43Å; L24-L28 PolarHBondContact O-N 3.22Å; L25-L28 PolarHBondContact O-N 2.84Å; L28-E30 VanDerWaalsContact C-N 3.25Å; L28-E30 PolarHBondContact O-N 3.36Å; L28-K31 PolarHBondContact O-N 3.32Å; L28-E32 HydrophobicContact CD2-CB 3.98Å; L28-E32 HydrophobicContact CD2-CG 4.42Å; L28-E32 WeakPolarHBondContact O-CB 3.19Å; L28-E32 PolarHBondContact O-N 2.79Å; L28-L35 HydrophobicContact CB-CD2 4.03Å; L28-L35 VanDerWaalsContact O-CD2 3.31Å; L28-L35 WeakPolarHBondContact O-CD2 3.49Å; L28-V38 HydrophobicContact CB-CG2 4.44Å; L28-V38 HydrophobicContact CD1-CG1 4.48Å; L28-I84 HydrophobicContact CD1-CD1 3.93Å; L28-V240 HydrophobicContact CD2-CG2 3.8Å; L28-V240 HydrophobicContact CG-CG2 4.08Å
29L96.3Very high96.9Very high40 Ų4036.6 Ų36.621%0.20917%0.174CC..Hα-helixtrans-60-36.6178-68.7173.8000112.1L25 L35 V38 R53 T55 V58 V60L25-L29 HydrophobicContact CD1-CD1 3.87Å; L25-L29 HydrophobicContact CD1-CD2 4.48Å; L25-L29 HydrophobicContact CD1-CG 3.97Å; L25-L29 HydrophobicContact CG-CD1 4.08Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 2.89Å; L29-L35 HydrophobicContact CD2-CD2 4.22Å; L29-V38 HydrophobicContact CD2-CG2 4.4Å; L29-R53 HydrophobicContact CD1-CB 4.42Å; L29-T55 HydrophobicContact CD1-CG2 4.09Å; L29-T55 HydrophobicContact CD2-CG2 3.96Å; L29-T55 HydrophobicContact CG-CG2 4.48Å; L29-V58 HydrophobicContact CD2-CB 3.93Å; L29-V58 HydrophobicContact CD2-CG1 3.75Å; L29-V58 HydrophobicContact CD2-CG2 4.44Å; L29-V60 HydrophobicContact CD1-CG2 4.41Å; L29-V60 HydrophobicContact CD2-CG2 3.99Å
30E95.5Very high97Very high113 Ų11334.3 Ų34.353%0.52816%0.164SC..Hα-helixtrans-81.2-40-179.3-165.5-167.3150.500113.1D26 V27 L28D26-E30 WeakPolarHBondContact O-CB 3.43Å; D26-E30 PolarHBondContact O-N 2.63Å; D26-E30 VanDerWaalsContact O-N 3.08Å; V27-E30 PolarHBondContact O-N 3.45Å; L28-E30 VanDerWaalsContact C-N 3.25Å; L28-E30 PolarHBondContact O-N 3.36Å
31K96.4Very high97Very high60 Ų6034 Ų3426%0.26116%0.162SC..Hα-helixtrans-110.2-21.1-164.3-58-53.3-168.2-165.40114.7V27 L28 E33 W237 R244 L344V27-K31 HydrophobicContact CG1-CB 4.35Å; V27-K31 HydrophobicContact CG1-CG 4Å; V27-K31 VanDerWaalsContact O-CB 3.25Å; V27-K31 WeakPolarHBondContact O-CB 2.98Å; V27-K31 PolarHBondContact O-N 3.25Å; L28-K31 PolarHBondContact O-N 3.32Å; K31-E33 PolarHBondContact O-N 2.94Å; K31-W237 HydrophobicContact CB-CE3 4.14Å; K31-W237 HydrophobicContact CB-CZ3 3.7Å; K31-W237 HydrophobicContact CG-CE3 4.15Å; K31-W237 HydrophobicContact CG-CZ3 4.06Å; K31-R244 PolarHBondContact O-NH2 2.99Å; K31-L344 VanDerWaalsContact CE-CD1 3.48Å; K31-L344 HydrophobicContact CG-CD2 4.27Å
32E95.9Very high97Very high15 Ų1535 Ų357%0.0717%0.168CC..  trans-89.590.8-179.2-173.152.9-135.300112.2Y11 L28 K34 L35 R244Y11-E32 HydrophobicContact CE2-CG 3.83Å; L28-E32 HydrophobicContact CD2-CB 3.98Å; L28-E32 HydrophobicContact CD2-CG 4.42Å; L28-E32 WeakPolarHBondContact O-CB 3.19Å; L28-E32 PolarHBondContact O-N 2.79Å; E32-K34 PolarHBondContact O-N 2.87Å; E32-K34 VanDerWaalsContact O-N 3.12Å; E32-L35 HydrophobicContact CB-CB 4Å; E32-L35 HydrophobicContact CB-CD2 4.36Å; E32-L35 HydrophobicContact CG-CB 3.88Å; E32-L35 WeakPolarHBondContact O-CB 3.33Å; E32-L35 PolarHBondContact O-N 2.98Å; E32-R244 IonicContact OE2-CZ 2.84Å; E32-R244 VanDerWaalsContact OE2-CZ 3.3Å; E32-R244 IonicContact OE2-NE 2.69Å; E32-R244 PolarHBondContact OE2-NE 2.94Å; E32-R244 IonicContact OE2-NH2 2.69Å; E32-R244 PolarHBondContact OE2-NH2 3.45Å
33E93.3Very high97.1Very high158 Ų15837 Ų3774%0.73818%0.176SC*.THydrogen-bonded Turntrans-56.9-32.1-174.5-62.3172.4-176.700114R7 K31R7-E33 WeakPolarHBondContact CG-O 3.48Å; R7-E33 PolarHBondContact NE-O 3.4Å; K31-E33 PolarHBondContact O-N 2.94Å
34K94.8Very high96.9Very high91 Ų9142.4 Ų42.440%0.39620%0.201SC..THydrogen-bonded Turntrans-92.35.7-177.7-64.7-171.7177-176.10113.8R7 T8 L9 E32 A36R7-K34 WeakPolarHBondContact CA-O 3.24Å; T8-K34 PolarHBondContact N-O 2.84Å; L9-K34 HydrophobicContact CD1-CB 3.92Å; L9-K34 HydrophobicContact CG-CB 4.04Å; L9-K34 PolarHBondContact N-O 2.67Å; E32-K34 PolarHBondContact O-N 2.87Å; E32-K34 VanDerWaalsContact O-N 3.12Å; K34-A36 PolarHBondContact O-N 3.17Å
35L96.7Very high96.6Very high0 Ų044.4 Ų44.40%021%0.212CC..EExtended strand (participates in β ladder)trans-68.3117.5-177-172.262.5000111.4R7 Y11 L28 L29 E32 E37 V38 V58R7-L35 WeakPolarHBondContact CB-O 3.29Å; R7-L35 WeakPolarHBondContact CD-O 3.28Å; R7-L35 VanDerWaalsContact CG-O 3.23Å; R7-L35 WeakPolarHBondContact CG-O 3.48Å; Y11-L35 HydrophobicContact CD2-CD1 3.36Å; Y11-L35 HydrophobicContact CE2-CD1 4.03Å; Y11-L35 HydrophobicContact CG-CD1 4.03Å; L28-L35 HydrophobicContact CB-CD2 4.03Å; L28-L35 VanDerWaalsContact O-CD2 3.31Å; L28-L35 WeakPolarHBondContact O-CD2 3.49Å; L29-L35 HydrophobicContact CD2-CD2 4.22Å; E32-L35 HydrophobicContact CB-CB 4Å; E32-L35 HydrophobicContact CB-CD2 4.36Å; E32-L35 HydrophobicContact CG-CB 3.88Å; E32-L35 WeakPolarHBondContact O-CB 3.33Å; E32-L35 PolarHBondContact O-N 2.98Å; L35-E37 WeakPolarHBondContact CD1-O 3.14Å; L35-V38 HydrophobicContact CD1-CG2 3.64Å; L35-V38 HydrophobicContact CD2-CG2 3.47Å; L35-V38 VanDerWaalsContact CD2-CG2 3.47Å; L35-V38 HydrophobicContact CG-CG2 3.85Å; L35-V58 HydrophobicContact CD2-CG1 3.9Å; L35-V58 HydrophobicContact CG-CG1 3.72Å
36A97.1Very high96Very high31 Ų3147.9 Ų47.926%0.25623%0.225SC..EExtended strand (participates in β ladder)trans-95.6-41.317300000111.7R7 L9 K34 E59R7-A36 HydrophobicContact CB-CB 4.09Å; L9-A36 PolarHBondContact O-N 3.41Å; K34-A36 PolarHBondContact O-N 3.17Å; A36-E59 PolarHBondContact O-N 3.1Å
37E97.6Very high95.3Very high20 Ų2051.1 Ų51.19%0.09325%0.25CC..EExtended strand (participates in β ladder)trans-142.6140.4-177.2-175.3-170.4175.800110.3L9 V10 Y11 L35 R39 E59 T61L9-E37 PolarHBondContact O-N 3.45Å; V10-E37 WeakPolarHBondContact CA-O 3.41Å; V10-E37 HydrophobicContact CB-CB 4.49Å; V10-E37 HydrophobicContact CG1-CB 4.14Å; V10-E37 HydrophobicContact CG1-CG 4.38Å; V10-E37 WeakPolarHBondContact CG1-OE2 3.36Å; V10-E37 HydrophobicContact CG2-CB 4.13Å; Y11-E37 PolarHBondContact N-O 3.48Å; L35-E37 WeakPolarHBondContact CD1-O 3.14Å; E37-R39 VanDerWaalsContact CD-NE 3.31Å; E37-R39 HydrophobicContact CG-CG 4.23Å; E37-R39 WeakPolarHBondContact OE1-CG 3.13Å; E37-R39 IonicContact OE1-CZ 2.86Å; E37-R39 IonicContact OE1-NE 2.81Å; E37-R39 PolarHBondContact OE1-NE 2.66Å; E37-R39 IonicContact OE1-NH2 2.68Å; E37-R39 IonicContact OE2-CZ 2.67Å; E37-R39 IonicContact OE2-NE 3.3Å; E37-R39 PolarHBondContact OE2-NE 2.99Å; E37-R39 IonicContact OE2-NH2 3.78Å; E37-R39 PolarHBondContact OE2-NH2 3.48Å; E37-E59 CarbonylContact C-O 3.2Å; E37-E59 WeakPolarHBondContact CA-O 3.32Å; E37-E59 HydrophobicContact CB-CB 4.24Å; E37-E59 HydrophobicContact CG-CB 4.07Å; E37-E59 HydrophobicContact CG-CG 4.18Å; E37-T61 WeakPolarHBondContact OE1-CB 3.36Å; E37-T61 PolarHBondContact OE1-OG1 3.02Å
38V98.2Very high94.4Very high0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-116.6121.2162.2-172.20000109.4Y11 I13 L25 L28 L29 L35 V40 V58 E59 V60 T61Y11-V38 CarbonylContact O-C 3.53Å; Y11-V38 WeakPolarHBondContact O-CA 3.21Å; I13-V38 HydrophobicContact CD1-CG1 3.62Å; I13-V38 HydrophobicContact CG1-CG1 3.94Å; L25-V38 HydrophobicContact CD1-CB 3.86Å; L25-V38 HydrophobicContact CD1-CG1 3.64Å; L25-V38 HydrophobicContact CD1-CG2 4.09Å; L28-V38 HydrophobicContact CB-CG2 4.44Å; L28-V38 HydrophobicContact CD1-CG1 4.48Å; L29-V38 HydrophobicContact CD2-CG2 4.4Å; L35-V38 HydrophobicContact CD1-CG2 3.64Å; L35-V38 HydrophobicContact CD2-CG2 3.47Å; L35-V38 VanDerWaalsContact CD2-CG2 3.47Å; L35-V38 HydrophobicContact CG-CG2 3.85Å; V38-V40 HydrophobicContact CG1-CG2 4.44Å; V38-V58 HydrophobicContact CG2-CG1 4.49Å; V38-E59 PolarHBondContact N-O 2.87Å; V38-V60 CarbonylContact O-C 3.55Å; V38-V60 WeakPolarHBondContact O-CA 3.49Å; V38-T61 PolarHBondContact O-N 3.03Å
39R98.3Very high93.8Very high40 Ų4052.1 Ų52.115%0.15126%0.261CS..EExtended strand (participates in β ladder)trans-92.6123170.3-63.2-177.6-178170.413.1109.9Y11 L12 I13 E37 T61 I63 A76 K78Y11-R39 PolarHBondContact O-N 3.36Å; L12-R39 WeakPolarHBondContact CA-O 3.35Å; L12-R39 HydrophobicContact CD1-CB 3.67Å; I13-R39 PolarHBondContact N-O 2.77Å; E37-R39 VanDerWaalsContact CD-NE 3.31Å; E37-R39 HydrophobicContact CG-CG 4.23Å; E37-R39 WeakPolarHBondContact OE1-CG 3.13Å; E37-R39 IonicContact OE1-CZ 2.86Å; E37-R39 IonicContact OE1-NE 2.81Å; E37-R39 PolarHBondContact OE1-NE 2.66Å; E37-R39 IonicContact OE1-NH2 2.68Å; E37-R39 IonicContact OE2-CZ 2.67Å; E37-R39 IonicContact OE2-NE 3.3Å; E37-R39 PolarHBondContact OE2-NE 2.99Å; E37-R39 IonicContact OE2-NH2 3.78Å; E37-R39 PolarHBondContact OE2-NH2 3.48Å; R39-T61 CarbonylContact C-O 3.41Å; R39-T61 WeakPolarHBondContact CA-O 3.43Å; R39-I63 HydrophobicContact CB-CD1 4.15Å; R39-I63 HydrophobicContact CG-CD1 4.25Å; R39-A76 WeakPolarHBondContact CD-O 3.48Å; R39-A76 PolarHBondContact NH1-O 3.36Å; R39-K78 PolarHBondContact NH1-O 2.69Å
40V98.3Very high93Very high0 Ų053.5 Ų53.50%027%0.266CS..EExtended strand (participates in β ladder)trans-102.8102.8177.7-177.10000107.2L25 V38 F49 V60 T61 L62 I63L25-V40 HydrophobicContact CD1-CG2 4.35Å; L25-V40 HydrophobicContact CD2-CG2 3.77Å; V38-V40 HydrophobicContact CG1-CG2 4.44Å; V40-F49 HydrophobicContact CB-CE1 4.49Å; V40-F49 HydrophobicContact CG1-CE1 3.9Å; V40-F49 HydrophobicContact CG1-CZ 3.99Å; V40-F49 HydrophobicContact CG2-CE1 4.18Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; V40-T61 PolarHBondContact N-O 3.12Å; V40-L62 HydrophobicContact CB-CD2 3.64Å; V40-L62 HydrophobicContact CG1-CD2 4.15Å; V40-L62 HydrophobicContact CG2-CD2 3.86Å; V40-I63 PolarHBondContact O-N 3.04Å
41F98.6Very high92.2Very high5 Ų554.6 Ų54.62%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-99.6118.1177.5178.9-95.5000110.5L12 I13 T14 G15 G16 I63 G65 I67 V73 A76L12-F41 HydrophobicContact CD1-CB 3.7Å; I13-F41 PolarHBondContact O-N 2.99Å; T14-F41 CarbonylContact C-O 3.51Å; T14-F41 WeakPolarHBondContact CA-O 3.24Å; T14-F41 HydrophobicContact CG2-CD1 4.14Å; G15-F41 PolarHBondContact N-O 2.99Å; G16-F41 PolarHBondContact N-O 3.38Å; F41-I63 WeakPolarHBondContact CA-O 3.4Å; F41-I63 HydrophobicContact CD2-CB 4.16Å; F41-I63 HydrophobicContact CD2-CG2 3.81Å; F41-I63 HydrophobicContact CE2-CG2 4.34Å; F41-G65 VanDerWaalsContact CZ-C 3.4Å; F41-I67 HydrophobicContact CD1-CD1 4.29Å; F41-I67 HydrophobicContact CE1-CB 4.26Å; F41-I67 HydrophobicContact CE1-CD1 3.9Å; F41-V73 HydrophobicContact CE1-CG2 4.18Å; F41-V73 HydrophobicContact CZ-CG2 4.07Å; F41-A76 HydrophobicContact CB-CB 4.39Å; F41-A76 HydrophobicContact CD2-CB 3.61Å; F41-A76 HydrophobicContact CE2-CB 4.15Å; F41-A76 HydrophobicContact CG-CB 4.19Å
42D98.3Very high91.1Very high23 Ų2357.9 Ų57.912%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-149.5153179.8-151.9-64.6000111.6G15 G16 C17 H44 I45 I63 Q64 G65G15-D42 VanDerWaalsContact CA-OD2 3.26Å; G15-D42 WeakPolarHBondContact CA-OD2 3.35Å; G16-D42 PolarHBondContact N-OD2 3.02Å; C17-D42 WeakPolarHBondContact CA-OD2 3.33Å; C17-D42 HydrophobicContact CB-CB 3.86Å; C17-D42 WeakPolarHBondContact CB-OD2 3.46Å; C17-D42 PolarHBondContact N-OD2 3.29Å; D42-H44 VanDerWaalsContact C-N 3.28Å; D42-H44 PolarHBondContact OD1-N 3.3Å; D42-I45 HydrophobicContact CB-CG1 4.41Å; D42-I63 PolarHBondContact N-O 3.36Å; D42-Q64 WeakPolarHBondContact O-CA 3.2Å; D42-G65 CarbonylContact C-O 3.21Å; D42-G65 VanDerWaalsContact C-O 3.26Å; D42-G65 PolarHBondContact O-N 3.22Å
43K96.6Very high90.4Very high98 Ų9858.7 Ų58.743%0.42629%0.29SS..SBendtrans-69.1-32.6174.9-175172.5-178.4151.60111.3Q64 G65 D66K43-Q64 PolarHBondContact O-NE2 2.91Å; K43-G65 WeakPolarHBondContact CA-O 3.43Å; K43-G65 PolarHBondContact N-O 3.49Å; K43-D66 WeakPolarHBondContact CD-OD2 3.46Å; K43-D66 VanDerWaalsContact CE-OD2 3.3Å; K43-D66 WeakPolarHBondContact CE-OD2 3.36Å; K43-D66 IonicContact NZ-OD2 3.02Å; K43-D66 PolarHBondContact NZ-OD2 3.2Å
44H93.8Very high89.8Confident131 Ų13158.2 Ų58.261%0.60629%0.286SS*.  trans-126.8105.6-176.3-61.4-55.1000110.7C17 D42C17-H44 WeakPolarHBondContact CB-O 3.47Å; D42-H44 VanDerWaalsContact C-N 3.28Å; D42-H44 PolarHBondContact OD1-N 3.3Å
45I92.9Very high89.3Confident43 Ų4356.2 Ų56.222%0.22128%0.281CS..PPolyproline II helixtrans-102.4119.7172.8-55.1-166.5000107.8D42 L62 Q64D42-I45 HydrophobicContact CB-CG1 4.41Å; I45-L62 HydrophobicContact CD1-CB 3.93Å; I45-L62 HydrophobicContact CG2-CD1 3.8Å; I45-Q64 HydrophobicContact CD1-CB 3.89Å; I45-Q64 HydrophobicContact CG1-CB 4.13Å; I45-Q64 HydrophobicContact CG1-CG 4.38Å
46Y86.1Confident88.7Confident72 Ų7264 Ų6428%0.28232%0.323SS..PPolyproline II helixtrans-92148.1-17959.8-96.2000111.5K22 G48 F49K22-Y46 WeakPolarHBondContact CE-OH 3.35Å; K22-Y46 PolarHBondContact NZ-OH 3.31Å; Y46-G48 PolarHBondContact O-N 3.06Å; Y46-F49 HydrophobicContact CD1-CD2 4.28Å; Y46-F49 HydrophobicContact CD2-CB 4.16Å; Y46-F49 AromaticContact CE1-CD2 3.5Å; Y46-F49 HydrophobicContact CE1-CD2 3.5Å; Y46-F49 HydrophobicContact CE1-CE2 4.22Å; Y46-F49 HydrophobicContact CE1-CG 4.48Å; Y46-F49 HydrophobicContact CE2-CB 3.9Å; Y46-F49 HydrophobicContact CE2-CD2 4.07Å; Y46-F49 HydrophobicContact CE2-CG 4.48Å; Y46-F49 AromaticContact CZ-CD2 3.38Å; Y46-F49 WeakPolarHBondContact O-CB 3.46Å; Y46-F49 PolarHBondContact O-N 3.04Å; Y46-F49 VanDerWaalsContact OH-CD2 3.3Å; Y46-F49 WeakPolarHBondContact OH-CD2 3.42Å
47P81.6Confident88.3Confident129 Ų12969 Ų6984%0.83834%0.341SS*.THydrogen-bonded Turntrans-56.5135.9175.6-23.133.2000111.3
48G79.3Confident88.1Confident26 Ų2668.6 Ų68.627%0.26834%0.34SS..THydrogen-bonded Turntrans91.9-7.9-178.700000115.1Y46 H50 E51 Q52Y46-G48 PolarHBondContact O-N 3.06Å; G48-H50 VanDerWaalsContact C-N 3.32Å; G48-H50 PolarHBondContact O-N 2.89Å; G48-E51 WeakPolarHBondContact CA-OE2 3.43Å; G48-E51 PolarHBondContact N-OE2 3.06Å; G48-Q52 WeakPolarHBondContact O-CG 3.32Å; G48-Q52 PolarHBondContact O-N 3.39Å
49F83.9Confident88Confident0 Ų074.6 Ų74.60%037%0.368CS..THydrogen-bonded Turntrans-60.6-43.4179.9-174.4-80.2000111.7C17 K22 L25 V40 Y46 L62C17-F49 HydrophobicContact CB-CD2 4.27Å; C17-F49 HydrophobicContact CB-CE2 4.03Å; K22-F49 HydrophobicContact CD-CE2 4.46Å; K22-F49 HydrophobicContact CG-CE2 3.91Å; K22-F49 HydrophobicContact CG-CZ 4.44Å; L25-F49 HydrophobicContact CD2-CE1 3.61Å; L25-F49 HydrophobicContact CD2-CZ 3.74Å; V40-F49 HydrophobicContact CB-CE1 4.49Å; V40-F49 HydrophobicContact CG1-CE1 3.9Å; V40-F49 HydrophobicContact CG1-CZ 3.99Å; V40-F49 HydrophobicContact CG2-CE1 4.18Å; Y46-F49 HydrophobicContact CD1-CD2 4.28Å; Y46-F49 HydrophobicContact CD2-CB 4.16Å; Y46-F49 AromaticContact CE1-CD2 3.5Å; Y46-F49 HydrophobicContact CE1-CD2 3.5Å; Y46-F49 HydrophobicContact CE1-CE2 4.22Å; Y46-F49 HydrophobicContact CE1-CG 4.48Å; Y46-F49 HydrophobicContact CE2-CB 3.9Å; Y46-F49 HydrophobicContact CE2-CD2 4.07Å; Y46-F49 HydrophobicContact CE2-CG 4.48Å; Y46-F49 AromaticContact CZ-CD2 3.38Å; Y46-F49 WeakPolarHBondContact O-CB 3.46Å; Y46-F49 PolarHBondContact O-N 3.04Å; Y46-F49 VanDerWaalsContact OH-CD2 3.3Å; Y46-F49 WeakPolarHBondContact OH-CD2 3.42Å; F49-L62 HydrophobicContact CB-CD1 4.31Å; F49-L62 HydrophobicContact CD1-CD1 3.95Å; F49-L62 HydrophobicContact CD1-CD2 3.62Å; F49-L62 HydrophobicContact CD1-CG 4.48Å; F49-L62 HydrophobicContact CE1-CD2 3.83Å
50H79.5Confident87.9Confident68 Ų6873.1 Ų73.132%0.31536%0.363SS..THydrogen-bonded Turntrans-68-45.4-176.7-174-102.3000111.5G48 Q52 R53 K54 V60 L62G48-H50 VanDerWaalsContact C-N 3.32Å; G48-H50 PolarHBondContact O-N 2.89Å; H50-Q52 PolarHBondContact O-N 2.94Å; H50-R53 CarbonylContact O-C 3.49Å; H50-R53 PolarHBondContact O-N 2.98Å; H50-K54 PolarHBondContact O-N 3.46Å; H50-K54 VanDerWaalsContact O-N 3.11Å; H50-V60 PolarHBondContact CD2-O 3.09Å; H50-V60 PolarHBondContact NE2-O 3.32Å; H50-L62 HydrophobicContact CB-CD1 3.7Å; H50-L62 HydrophobicContact CB-CG 4.42Å
51E78.6Confident87.8Confident137 Ų13774.9 Ų74.964%0.6437%0.374SS*.G310 helixtrans-62.9-32.5-175.2-66.279.5179.900112.2G48 R53G48-E51 WeakPolarHBondContact CA-OE2 3.43Å; G48-E51 PolarHBondContact N-OE2 3.06Å; E51-R53 PolarHBondContact O-N 3.08Å
52Q74.8Confident87.7Confident128 Ų12877.1 Ų77.160%0.59839%0.386SS*.G310 helixtrans-71.2-16.8177.8-70.4172.46.600113.7G48 H50G48-Q52 WeakPolarHBondContact O-CG 3.32Å; G48-Q52 PolarHBondContact O-N 3.39Å; H50-Q52 PolarHBondContact O-N 2.94Å
53R79.6Confident87.6Confident32 Ų3277.9 Ų77.912%0.12139%0.39CS..G310 helixtrans-135.821-168.3-65-177.9170.165.414.4113L25 D26 L29 H50 E51L25-R53 HydrophobicContact CD2-CB 4.37Å; L25-R53 HydrophobicContact CD2-CG 4.41Å; D26-R53 WeakPolarHBondContact OD1-CD 3.35Å; D26-R53 IonicContact OD1-CZ 2.82Å; D26-R53 IonicContact OD1-NE 3.74Å; D26-R53 PolarHBondContact OD1-NE 2.94Å; D26-R53 IonicContact OD1-NH2 2.99Å; D26-R53 PolarHBondContact OD1-NH2 2.99Å; D26-R53 IonicContact OD2-CZ 3.5Å; D26-R53 IonicContact OD2-NE 2.74Å; D26-R53 IonicContact OD2-NH2 3.44Å; D26-R53 PolarHBondContact OD2-NH2 2.76Å; L29-R53 HydrophobicContact CD1-CB 4.42Å; H50-R53 CarbonylContact O-C 3.49Å; H50-R53 PolarHBondContact O-N 2.98Å; E51-R53 PolarHBondContact O-N 3.08Å
54K80.7Confident87.7Confident148 Ų14879.7 Ų79.764%0.64340%0.4SS*.  trans-70.3135.4174.6-169178.6178.8-174.40109.1H50H50-K54 PolarHBondContact O-N 3.46Å; H50-K54 VanDerWaalsContact O-N 3.11Å
55T84.8Confident87.9Confident49 Ų4974 Ų7430%0.30138%0.376SS..  trans-127.7153.117183.70000108.9L29 E57 V58L29-T55 HydrophobicContact CD1-CG2 4.09Å; L29-T55 HydrophobicContact CD2-CG2 3.96Å; L29-T55 HydrophobicContact CG-CG2 4.48Å; T55-E57 VanDerWaalsContact C-N 3.25Å; T55-V58 WeakPolarHBondContact OG1-CA 3.33Å; T55-V58 WeakPolarHBondContact OG1-CB 3.09Å; T55-V58 PolarHBondContact OG1-N 2.75Å; T55-V58 PolarHBondContact OG1-O 3.37Å
56D84.5Confident88.2Confident164 Ų16473.6 Ų73.688%0.87738%0.375SS*.SBendtrans-79.3-14.6178.2-66.4-34.2000112.4
57E88.1Confident88.7Confident137 Ų13770.7 Ų70.764%0.6436%0.364SS*.SBendtrans-122.1-12-165.8-47.2-179.415300114.5R7 T55R7-E57 IonicContact CZ-OE2 2.67Å; R7-E57 VanDerWaalsContact NH1-C 3.3Å; R7-E57 PolarHBondContact NH1-O 2.83Å; R7-E57 IonicContact NH1-OE2 3.84Å; R7-E57 PolarHBondContact NH1-OE2 3.13Å; R7-E57 IonicContact NH2-OE2 3.42Å; R7-E57 PolarHBondContact NH2-OE2 2.89Å; T55-E57 VanDerWaalsContact C-N 3.25Å
58V94.1Very high89.5Confident10 Ų1066.7 Ų66.76%0.06134%0.337CS..SBendtrans-129.2129.2175.6-178.10000108.8L29 L35 V38 T55L29-V58 HydrophobicContact CD2-CB 3.93Å; L29-V58 HydrophobicContact CD2-CG1 3.75Å; L29-V58 HydrophobicContact CD2-CG2 4.44Å; L35-V58 HydrophobicContact CD2-CG1 3.9Å; L35-V58 HydrophobicContact CG-CG1 3.72Å; V38-V58 HydrophobicContact CG2-CG1 4.49Å; T55-V58 WeakPolarHBondContact OG1-CA 3.33Å; T55-V58 WeakPolarHBondContact OG1-CB 3.09Å; T55-V58 PolarHBondContact OG1-N 2.75Å; T55-V58 PolarHBondContact OG1-O 3.37Å
59E95.4Very high90.5Very high126 Ų12668.5 Ų68.559%0.58934%0.341SS*.EExtended strand (participates in β ladder)trans-75.4128.6175.8-175.4171.4-169.500110.6A36 E37 V38A36-E59 PolarHBondContact O-N 3.1Å; E37-E59 CarbonylContact C-O 3.2Å; E37-E59 WeakPolarHBondContact CA-O 3.32Å; E37-E59 HydrophobicContact CB-CB 4.24Å; E37-E59 HydrophobicContact CG-CB 4.07Å; E37-E59 HydrophobicContact CG-CG 4.18Å; V38-E59 PolarHBondContact N-O 2.87Å
60V96.3Very high91.2Very high9 Ų970 Ų706%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-114100.2175.9-178.30000109L25 L29 V38 V40 H50 L62L25-V60 HydrophobicContact CD1-CG1 4.33Å; L25-V60 HydrophobicContact CD2-CG1 4.36Å; L29-V60 HydrophobicContact CD1-CG2 4.41Å; L29-V60 HydrophobicContact CD2-CG2 3.99Å; V38-V60 CarbonylContact O-C 3.55Å; V38-V60 WeakPolarHBondContact O-CA 3.49Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; H50-V60 PolarHBondContact CD2-O 3.09Å; H50-V60 PolarHBondContact NE2-O 3.32Å; V60-L62 HydrophobicContact CG1-CD2 4.24Å
61T95.9Very high92.1Very high37 Ų3771.7 Ų71.723%0.22736%0.358CS..EExtended strand (participates in β ladder)trans-95.1123.2-176.3-55.50000110.2E37 V38 R39 V40 I63E37-T61 WeakPolarHBondContact OE1-CB 3.36Å; E37-T61 PolarHBondContact OE1-OG1 3.02Å; V38-T61 PolarHBondContact O-N 3.03Å; R39-T61 CarbonylContact C-O 3.41Å; R39-T61 WeakPolarHBondContact CA-O 3.43Å; V40-T61 PolarHBondContact N-O 3.12Å; T61-I63 HydrophobicContact CG2-CD1 4.33Å; T61-I63 HydrophobicContact CG2-CG1 3.99Å
62L96.6Very high93Very high52 Ų5266.8 Ų66.827%0.27234%0.338SS..EExtended strand (participates in β ladder)trans-95124.9176.5-59.4-165.3000110.3V40 I45 F49 H50 V60V40-L62 HydrophobicContact CB-CD2 3.64Å; V40-L62 HydrophobicContact CG1-CD2 4.15Å; V40-L62 HydrophobicContact CG2-CD2 3.86Å; I45-L62 HydrophobicContact CD1-CB 3.93Å; I45-L62 HydrophobicContact CG2-CD1 3.8Å; F49-L62 HydrophobicContact CB-CD1 4.31Å; F49-L62 HydrophobicContact CD1-CD1 3.95Å; F49-L62 HydrophobicContact CD1-CD2 3.62Å; F49-L62 HydrophobicContact CD1-CG 4.48Å; F49-L62 HydrophobicContact CE1-CD2 3.83Å; H50-L62 HydrophobicContact CB-CD1 3.7Å; H50-L62 HydrophobicContact CB-CG 4.42Å; V60-L62 HydrophobicContact CG1-CD2 4.24Å
63I97.4Very high94.2Very high40 Ų4060.7 Ų60.721%0.20531%0.31CS..EExtended strand (participates in β ladder)trans-125.3107-178.3-53.5178000108.7R39 V40 F41 D42 T61 A76R39-I63 HydrophobicContact CB-CD1 4.15Å; R39-I63 HydrophobicContact CG-CD1 4.25Å; V40-I63 PolarHBondContact O-N 3.04Å; F41-I63 WeakPolarHBondContact CA-O 3.4Å; F41-I63 HydrophobicContact CD2-CB 4.16Å; F41-I63 HydrophobicContact CD2-CG2 3.81Å; F41-I63 HydrophobicContact CE2-CG2 4.34Å; D42-I63 PolarHBondContact N-O 3.36Å; T61-I63 HydrophobicContact CG2-CD1 4.33Å; T61-I63 HydrophobicContact CG2-CG1 3.99Å; I63-A76 HydrophobicContact CD1-CB 3.98Å; I63-A76 HydrophobicContact CG2-CB 4.23Å
64Q97.9Very high95.1Very high136 Ų13660 Ų6064%0.63631%0.309SS*.EExtended strand (participates in β ladder)trans-80.7123.3175.5-170.8176-400109.9D42 K43 I45D42-Q64 WeakPolarHBondContact O-CA 3.2Å; K43-Q64 PolarHBondContact O-NE2 2.91Å; I45-Q64 HydrophobicContact CD1-CB 3.89Å; I45-Q64 HydrophobicContact CG1-CB 4.13Å; I45-Q64 HydrophobicContact CG1-CG 4.38Å
65G97.9Very high95.9Very high11 Ų1157.9 Ų57.911%0.11330%0.301CS..  trans-170.7165.2177.800000112.9F41 D42 K43F41-G65 VanDerWaalsContact CZ-C 3.4Å; D42-G65 CarbonylContact C-O 3.21Å; D42-G65 VanDerWaalsContact C-O 3.26Å; D42-G65 PolarHBondContact O-N 3.22Å; K43-G65 WeakPolarHBondContact CA-O 3.43Å; K43-G65 PolarHBondContact N-O 3.49Å
66D98.3Very high96.6Very high35 Ų3555.6 Ų55.619%0.18729%0.287CS..  trans-100.2128.9179-163.2-46.1000110K43 T68 D69K43-D66 WeakPolarHBondContact CD-OD2 3.46Å; K43-D66 VanDerWaalsContact CE-OD2 3.3Å; K43-D66 WeakPolarHBondContact CE-OD2 3.36Å; K43-D66 IonicContact NZ-OD2 3.02Å; K43-D66 PolarHBondContact NZ-OD2 3.2Å; D66-T68 PolarHBondContact O-N 2.9Å; D66-T68 VanDerWaalsContact O-N 3.16Å; D66-T68 WeakPolarHBondContact OD1-CB 3.25Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.41Å; D66-T68 PolarHBondContact OD1-N 3.49Å; D66-T68 PolarHBondContact OD1-OG1 2.9Å; D66-D69 PolarHBondContact O-N 3.31Å
67I98.6Very high97.3Very high10 Ų1047.8 Ų47.85%0.05125%0.245CC..THydrogen-bonded Turntrans-62-22.8178.4-16172.5000112.5T14 F41 D69 V73 A87 V104 G108 N111 V112T14-I67 HydrophobicContact CG2-CD1 3.87Å; F41-I67 HydrophobicContact CD1-CD1 4.29Å; F41-I67 HydrophobicContact CE1-CB 4.26Å; F41-I67 HydrophobicContact CE1-CD1 3.9Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-V73 HydrophobicContact CD1-CG2 3.83Å; I67-V73 HydrophobicContact CG1-CG2 4.41Å; I67-A87 HydrophobicContact CD1-CB 4.36Å; I67-A87 HydrophobicContact CG1-CB 4.27Å; I67-V104 HydrophobicContact CG2-CG1 3.86Å; I67-G108 WeakPolarHBondContact O-CA 3.17Å; I67-N111 PolarHBondContact O-ND2 3.29Å; I67-V112 HydrophobicContact CD1-CG2 3.42Å; I67-V112 VanDerWaalsContact CD1-CG2 3.42Å; I67-V112 HydrophobicContact CG1-CG2 4.25Å
68T98.4Very high97.7Very high45 Ų4546 Ų4628%0.27624%0.235SC..THydrogen-bonded Turntrans-77.3-19.6176.265.20000112.7D66 S103 V104 N111D66-T68 PolarHBondContact O-N 2.9Å; D66-T68 VanDerWaalsContact O-N 3.16Å; D66-T68 WeakPolarHBondContact OD1-CB 3.25Å; D66-T68 WeakPolarHBondContact OD1-CG2 3.41Å; D66-T68 PolarHBondContact OD1-N 3.49Å; D66-T68 PolarHBondContact OD1-OG1 2.9Å; T68-S103 WeakPolarHBondContact CG2-OG 3.39Å; T68-V104 HydrophobicContact CG2-CG2 3.89Å; T68-N111 PolarHBondContact O-ND2 3.17Å; T68-N111 VanDerWaalsContact O-ND2 3.07Å
69D98.6Very high97.9Very high65 Ų6548.2 Ų48.235%0.34826%0.26SS..  trans-89.8110.9171.5172.527.3000110.5D66 I67 N71 S72 V73D66-D69 PolarHBondContact O-N 3.31Å; I67-D69 VanDerWaalsContact C-N 3.33Å; D69-N71 VanDerWaalsContact C-N 3.3Å; D69-N71 PolarHBondContact O-N 3.41Å; D69-N71 PolarHBondContact OD1-N 3.49Å; D69-N71 VanDerWaalsContact OD1-N 3.12Å; D69-S72 PolarHBondContact O-N 3.41Å; D69-S72 WeakPolarHBondContact OD2-CB 3.23Å; D69-S72 PolarHBondContact OD2-N 3.15Å; D69-S72 PolarHBondContact OD2-OG 3.31Å; D69-V73 WeakPolarHBondContact O-CG2 3.37Å; D69-V73 PolarHBondContact O-N 2.89Å
70Y98.8Very high98Very high32 Ų3242.5 Ų42.513%0.12523%0.234CC..Hα-helixtrans-57.9-40.3-179.4178.2-119.8000113.6S72 V73 L74 N111 R114 A115 E118Y70-S72 PolarHBondContact O-N 3.04Å; Y70-V73 PolarHBondContact O-N 3.28Å; Y70-L74 HydrophobicContact CE1-CB 4.47Å; Y70-L74 HydrophobicContact CE1-CD2 4.1Å; Y70-L74 HydrophobicContact CE2-CB 4.47Å; Y70-L74 WeakPolarHBondContact O-CB 3.16Å; Y70-L74 PolarHBondContact O-N 3.21Å; Y70-N111 HydrophobicContact CD2-CB 4.14Å; Y70-R114 HydrophobicContact CE2-CB 3.83Å; Y70-R114 HydrophobicContact CE2-CG 3.72Å; Y70-R114 VanDerWaalsContact CG-CZ 3.5Å; Y70-R114 VanDerWaalsContact CZ-NE 3.29Å; Y70-R114 WeakPolarHBondContact OH-CG 3.47Å; Y70-A115 HydrophobicContact CE2-CB 4.16Å; Y70-E118 PolarHBondContact OH-OE2 3.11Å
71N98.5Very high98.1Very high102 Ų10244.6 Ų44.655%0.54525%0.245SC..Hα-helixtrans-67.4-41.7-175.2-69-36.6000110.5D69 V73 L74 E75D69-N71 VanDerWaalsContact C-N 3.3Å; D69-N71 PolarHBondContact O-N 3.41Å; D69-N71 PolarHBondContact OD1-N 3.49Å; D69-N71 VanDerWaalsContact OD1-N 3.12Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 3.48Å; N71-L74 PolarHBondContact O-N 3.03Å; N71-E75 WeakPolarHBondContact O-CG 3.26Å; N71-E75 PolarHBondContact O-N 3.02Å
72S98.1Very high98.2Very high34 Ų3442.9 Ų42.924%0.23823%0.234CC..Hα-helixtrans-55.5-44.8171.9-68.60000112.2D69 Y70 A76D69-S72 PolarHBondContact O-N 3.41Å; D69-S72 WeakPolarHBondContact OD2-CB 3.23Å; D69-S72 PolarHBondContact OD2-N 3.15Å; D69-S72 PolarHBondContact OD2-OG 3.31Å; Y70-S72 PolarHBondContact O-N 3.04Å; S72-A76 PolarHBondContact O-N 2.84Å
73V98.8Very high98.4Very high1 Ų140.4 Ų40.41%0.00622%0.221CC..Hα-helixtrans-67.2-42.5178-1790000111.5F41 I67 D69 Y70 N71 A76 T77 N111 V112 A115F41-V73 HydrophobicContact CE1-CG2 4.18Å; F41-V73 HydrophobicContact CZ-CG2 4.07Å; I67-V73 HydrophobicContact CD1-CG2 3.83Å; I67-V73 HydrophobicContact CG1-CG2 4.41Å; D69-V73 WeakPolarHBondContact O-CG2 3.37Å; D69-V73 PolarHBondContact O-N 2.89Å; Y70-V73 PolarHBondContact O-N 3.28Å; N71-V73 VanDerWaalsContact C-N 3.31Å; N71-V73 PolarHBondContact O-N 3.48Å; V73-A76 PolarHBondContact O-N 3.35Å; V73-T77 WeakPolarHBondContact O-CB 3.21Å; V73-T77 PolarHBondContact O-N 3.49Å; V73-T77 VanDerWaalsContact O-N 3.12Å; V73-T77 PolarHBondContact O-OG1 3.06Å; V73-N111 HydrophobicContact CG2-CB 4.34Å; V73-V112 HydrophobicContact CG1-CG2 3.94Å; V73-A115 HydrophobicContact CG1-CB 3.87Å
74L98.8Very high98.4Very high16 Ų1638.5 Ų38.58%0.08421%0.212CC..Hα-helixtrans-60.3-48.5179.1-178.965.7000111.1Y70 N71 A76 T77 K78 A115 E118Y70-L74 HydrophobicContact CE1-CB 4.47Å; Y70-L74 HydrophobicContact CE1-CD2 4.1Å; Y70-L74 HydrophobicContact CE2-CB 4.47Å; Y70-L74 WeakPolarHBondContact O-CB 3.16Å; Y70-L74 PolarHBondContact O-N 3.21Å; N71-L74 PolarHBondContact O-N 3.03Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 2.69Å; L74-T77 PolarHBondContact O-N 3.23Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-K78 PolarHBondContact O-N 3.33Å; L74-A115 HydrophobicContact CD1-CB 4.36Å; L74-E118 HydrophobicContact CD1-CB 4.06Å; L74-E118 HydrophobicContact CD1-CG 4.08Å
75E98.5Very high98.5Very high105 Ų10532 Ų3249%0.49118%0.181SC..Hα-helixtrans-59.4-44.6177.6-69.3-52.4129.800111.9N71 T77 K78N71-E75 WeakPolarHBondContact O-CG 3.26Å; N71-E75 PolarHBondContact O-N 3.02Å; E75-T77 PolarHBondContact O-N 3.49Å; E75-K78 PolarHBondContact O-N 3.36Å; E75-K78 VanDerWaalsContact OE1-CE 3.28Å; E75-K78 WeakPolarHBondContact OE1-CE 3.28Å; E75-K78 IonicContact OE1-NZ 3.39Å; E75-K78 PolarHBondContact OE1-NZ 3.17Å; E75-K78 WeakPolarHBondContact OE2-CE 3.28Å; E75-K78 IonicContact OE2-NZ 3.29Å; E75-K78 PolarHBondContact OE2-NZ 2.9Å
76A98.6Very high98.5Very high0 Ų032.3 Ų32.30%018%0.182CC..Hα-helixtrans-62.7-28.1178.200000113.2L12 R39 F41 I63 S72 V73 L74 V80L12-A76 HydrophobicContact CD1-CB 4.09Å; L12-A76 HydrophobicContact CD2-CB 4.23Å; R39-A76 WeakPolarHBondContact CD-O 3.48Å; R39-A76 PolarHBondContact NH1-O 3.36Å; F41-A76 HydrophobicContact CB-CB 4.39Å; F41-A76 HydrophobicContact CD2-CB 3.61Å; F41-A76 HydrophobicContact CE2-CB 4.15Å; F41-A76 HydrophobicContact CG-CB 4.19Å; I63-A76 HydrophobicContact CD1-CB 3.98Å; I63-A76 HydrophobicContact CG2-CB 4.23Å; S72-A76 PolarHBondContact O-N 2.84Å; V73-A76 PolarHBondContact O-N 3.35Å; L74-A76 VanDerWaalsContact C-N 3.35Å; L74-A76 PolarHBondContact O-N 2.69Å; A76-V80 WeakPolarHBondContact O-CG2 3.38Å
77T98.8Very high98.5Very high0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-87.5-13.1-173.1-52.30000113.6V73 L74 E75 G79 V80 V83 A115 C119 V121V73-T77 WeakPolarHBondContact O-CB 3.21Å; V73-T77 PolarHBondContact O-N 3.49Å; V73-T77 VanDerWaalsContact O-N 3.12Å; V73-T77 PolarHBondContact O-OG1 3.06Å; L74-T77 PolarHBondContact O-N 3.23Å; L74-T77 VanDerWaalsContact O-N 3.14Å; E75-T77 PolarHBondContact O-N 3.49Å; T77-G79 PolarHBondContact O-N 3.1Å; T77-V80 VanDerWaalsContact O-CB 3.32Å; T77-V80 WeakPolarHBondContact O-CB 3.2Å; T77-V80 WeakPolarHBondContact O-CG2 3.47Å; T77-V80 PolarHBondContact O-N 3.05Å; T77-V80 VanDerWaalsContact O-N 3.14Å; T77-V83 HydrophobicContact CG2-CG2 4.34Å; T77-A115 HydrophobicContact CG2-CB 4.18Å; T77-C119 HydrophobicContact CG2-CB 3.9Å; T77-V121 HydrophobicContact CG2-CG2 3.46Å; T77-V121 VanDerWaalsContact CG2-CG2 3.46Å
78K98.3Very high98.4Very high99 Ų9932.5 Ų32.543%0.4319%0.188SC..THydrogen-bonded Turntrans-61118.9-176.6-73.6178.3-178.2171.60112.8R39 L74 E75 V80R39-K78 PolarHBondContact NH1-O 2.69Å; L74-K78 PolarHBondContact O-N 3.33Å; E75-K78 PolarHBondContact O-N 3.36Å; E75-K78 VanDerWaalsContact OE1-CE 3.28Å; E75-K78 WeakPolarHBondContact OE1-CE 3.28Å; E75-K78 IonicContact OE1-NZ 3.39Å; E75-K78 PolarHBondContact OE1-NZ 3.17Å; E75-K78 WeakPolarHBondContact OE2-CE 3.28Å; E75-K78 IonicContact OE2-NZ 3.29Å; E75-K78 PolarHBondContact OE2-NZ 2.9Å; K78-V80 VanDerWaalsContact C-N 3.3Å
79G97.2Very high98.3Very high57 Ų5732.8 Ų32.859%0.58819%0.187SC*.THydrogen-bonded Turntrans75.915.7178.600000114.4T77T77-G79 PolarHBondContact O-N 3.1Å
80V98.4Very high98.1Very high7 Ų733.7 Ų33.74%0.04220%0.195CC..  trans-82139.9174.4170.90000110.6V10 L12 A76 T77 K78 V82 V83 V121V10-V80 HydrophobicContact CG1-CG2 4.06Å; L12-V80 HydrophobicContact CB-CB 4.47Å; L12-V80 HydrophobicContact CB-CG1 3.76Å; L12-V80 HydrophobicContact CB-CG2 3.9Å; A76-V80 WeakPolarHBondContact O-CG2 3.38Å; T77-V80 VanDerWaalsContact O-CB 3.32Å; T77-V80 WeakPolarHBondContact O-CB 3.2Å; T77-V80 WeakPolarHBondContact O-CG2 3.47Å; T77-V80 PolarHBondContact O-N 3.05Å; T77-V80 VanDerWaalsContact O-N 3.14Å; K78-V80 VanDerWaalsContact C-N 3.3Å; V80-V82 WeakPolarHBondContact CG1-O 3.13Å; V80-V83 HydrophobicContact CG1-CG2 3.86Å; V80-V121 HydrophobicContact CB-CG2 4.32Å
81D97.9Very high97.8Very high53 Ų5332.4 Ų32.428%0.28319%0.19SC..SBendtrans-92.5-33.1174.7-63.8-71.8000113.1L9 V10L9-D81 WeakPolarHBondContact CA-OD2 3.5Å; L9-D81 HydrophobicContact CD2-CB 4.09Å; V10-D81 PolarHBondContact N-OD2 3.35Å; V10-D81 PolarHBondContact O-N 3.06Å
82V98.8Very high97.3Very high0 Ų028 Ų280%017%0.167CC..EExtended strand (participates in β ladder)trans-139.3130.3-176.6-172.20000110.6V10 Y11 L12 V80 R123 A243V10-V82 PolarHBondContact O-N 3.32Å; Y11-V82 CarbonylContact C-O 3.47Å; Y11-V82 WeakPolarHBondContact CA-O 2.97Å; Y11-V82 HydrophobicContact CD1-CB 3.65Å; Y11-V82 HydrophobicContact CD1-CG1 3.79Å; Y11-V82 HydrophobicContact CD1-CG2 4.33Å; Y11-V82 HydrophobicContact CD2-CB 4.44Å; Y11-V82 HydrophobicContact CE1-CB 3.6Å; Y11-V82 HydrophobicContact CE1-CG1 3.54Å; Y11-V82 HydrophobicContact CE1-CG2 3.85Å; Y11-V82 HydrophobicContact CE2-CB 4.42Å; Y11-V82 HydrophobicContact CE2-CG2 4.14Å; Y11-V82 HydrophobicContact CG-CB 4.09Å; L12-V82 PolarHBondContact N-O 3.41Å; V80-V82 WeakPolarHBondContact CG1-O 3.13Å; V82-R123 WeakPolarHBondContact CA-O 3.48Å; V82-R123 HydrophobicContact CG1-CB 4.24Å; V82-R123 HydrophobicContact CG2-CB 4.27Å; V82-A243 HydrophobicContact CG1-CB 3.89Å
83V98.9Very high96.9Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-105.8125.9169.4178.30000109.9L12 T77 V80 H85 V112 V121 R123 L124 V125L12-V83 HydrophobicContact CB-CG2 4.19Å; L12-V83 HydrophobicContact CD2-CG2 4.14Å; L12-V83 WeakPolarHBondContact O-CA 3.37Å; T77-V83 HydrophobicContact CG2-CG2 4.34Å; V80-V83 HydrophobicContact CG1-CG2 3.86Å; V83-H85 HydrophobicContact CG1-CB 4.43Å; V83-V112 HydrophobicContact CG1-CG1 3.82Å; V83-V121 HydrophobicContact CG2-CG1 3.98Å; V83-V121 HydrophobicContact CG2-CG2 4.35Å; V83-R123 PolarHBondContact N-O 3.19Å; V83-L124 HydrophobicContact CB-CD1 3.85Å; V83-L124 HydrophobicContact CG1-CD1 3.68Å; V83-L124 WeakPolarHBondContact O-CA 3.38Å; V83-V125 PolarHBondContact O-N 3.46Å
84I98.9Very high96.4Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans-101.9108.2164.2-61.3178000107.9Y11 L12 I13 T14 L24 L28 S86 V125 H239Y11-I84 HydrophobicContact CD1-CD1 4.1Å; Y11-I84 HydrophobicContact CD1-CG1 4.4Å; Y11-I84 HydrophobicContact CE1-CD1 4.42Å; L12-I84 PolarHBondContact O-N 2.95Å; I13-I84 WeakPolarHBondContact CA-O 3.5Å; T14-I84 PolarHBondContact N-O 3.46Å; L24-I84 HydrophobicContact CD1-CG2 3.73Å; L24-I84 HydrophobicContact CD2-CD1 4.22Å; L24-I84 HydrophobicContact CD2-CG2 4.06Å; L28-I84 HydrophobicContact CD1-CD1 3.93Å; I84-S86 PolarHBondContact O-N 2.56Å; I84-V125 WeakPolarHBondContact CA-O 3.49Å; I84-H239 HydrophobicContact CD1-CB 4.15Å
85H98.9Very high96Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-94.791.7-177.3-176.835.5000111.5T14 V83 T109 V112 L124 V125 Y126 T127T14-H85 VanDerWaalsContact OG1-CA 3.29Å; T14-H85 WeakPolarHBondContact OG1-CA 3.28Å; T14-H85 PolarHBondContact OG1-ND1 2.98Å; V83-H85 HydrophobicContact CG1-CB 4.43Å; H85-T109 PolarHBondContact CD2-OG1 3.1Å; H85-T109 WeakPolarHBondContact NE2-CA 3.46Å; H85-T109 PolarHBondContact NE2-OG1 3.19Å; H85-V112 HydrophobicContact CB-CG1 4.35Å; H85-L124 HydrophobicContact CB-CD1 3.89Å; H85-V125 PolarHBondContact N-O 3.39Å; H85-Y126 HydrophobicContact CB-CD2 4.07Å; H85-Y126 AromaticContact CD2-CD2 3.31Å; H85-Y126 WeakPolarHBondContact CD2-CD2 3.43Å; H85-Y126 AromaticContact CD2-CE2 3.39Å; H85-Y126 WeakPolarHBondContact CD2-CE2 3.3Å; H85-Y126 AromaticContact CG-CD2 3.91Å; H85-Y126 AromaticContact NE2-CE2 3.78Å; H85-Y126 WeakPolarHBondContact O-CD2 3.41Å; H85-T127 PolarHBondContact O-N 3.27Å; H85-T127 PolarHBondContact O-OG1 3.3Å
86S98.6Very high95.8Very high18 Ų1832.4 Ų32.413%0.12618%0.181CC..  trans-108.1-3.9177.6-176.30000113.7T14 I84 S88 T127T14-S86 CarbonylContact O-C 3.5Å; T14-S86 WeakPolarHBondContact O-CA 3.4Å; T14-S86 WeakPolarHBondContact O-CB 3.25Å; T14-S86 PolarHBondContact O-N 3.34Å; T14-S86 PolarHBondContact OG1-N 3.44Å; I84-S86 PolarHBondContact O-N 2.56Å; S86-S88 PolarHBondContact O-N 3.43Å; S86-T127 WeakPolarHBondContact CB-OG1 3.4Å
87A98Very high95.6Very high12 Ų1236.2 Ų36.210%0.09921%0.205CC..  trans-64.3119.7177.200000110.8T14 I67T14-A87 PolarHBondContact O-N 2.63Å; T14-A87 PolarHBondContact OG1-N 2.87Å; I67-A87 HydrophobicContact CD1-CB 4.36Å; I67-A87 HydrophobicContact CG1-CB 4.27Å
88S96.9Very high95.4Very high37 Ų3738.7 Ų38.726%0.25923%0.226SC..  trans-161.1145.3-180-172.10000110.1S86 N105S86-S88 PolarHBondContact O-N 3.43Å; S88-N105 WeakPolarHBondContact CA-OD1 3.21Å; S88-N105 PolarHBondContact OG-ND2 3.14Å; S88-N105 PolarHBondContact OG-OD1 3.34Å
89L96.9Very high95.4Very high50 Ų5038.5 Ų38.526%0.26224%0.237SC..  trans-89.4128.5160.4-66.3178.6000108.9I96 L100 V104 N105 Y160L89-I96 HydrophobicContact CB-CD1 4.13Å; L89-I96 HydrophobicContact CD1-CD1 4.29Å; L89-I96 HydrophobicContact CD1-CG2 3.99Å; L89-I96 HydrophobicContact CD2-CD1 4.18Å; L89-I96 HydrophobicContact CG-CD1 4.42Å; L89-L100 HydrophobicContact CD1-CD2 4.26Å; L89-L100 HydrophobicContact CD1-CG 3.81Å; L89-V104 HydrophobicContact CD1-CB 4.03Å; L89-V104 HydrophobicContact CD1-CG1 4.48Å; L89-V104 HydrophobicContact CD1-CG2 3.69Å; L89-V104 HydrophobicContact CG-CB 4.05Å; L89-V104 HydrophobicContact CG-CG1 3.98Å; L89-V104 HydrophobicContact CG-CG2 4.07Å; L89-N105 PolarHBondContact N-OD1 2.93Å; L89-N105 PolarHBondContact O-ND2 3.18Å; L89-N105 PolarHBondContact O-OD1 2.71Å; L89-Y160 WeakPolarHBondContact O-CD2 3.44Å
90V94.1Very high95.4Very high85 Ų8539.4 Ų39.452%0.51523%0.228SC..  trans-113.1110.1178.2-176.10000107.8Y160V90-Y160 HydrophobicContact CB-CD2 4.39Å; V90-Y160 HydrophobicContact CB-CE2 4.05Å; V90-Y160 HydrophobicContact CG1-CD1 4.27Å; V90-Y160 HydrophobicContact CG1-CD2 4.4Å; V90-Y160 HydrophobicContact CG1-CE1 3.93Å; V90-Y160 HydrophobicContact CG1-CE2 4.05Å; V90-Y160 HydrophobicContact CG1-CG 4.49Å; V90-Y160 HydrophobicContact CG2-CD2 4.44Å; V90-Y160 HydrophobicContact CG2-CE2 3.68Å
91D92.3Very high95.4Very high4 Ų439.1 Ų39.12%0.02123%0.227CC..  trans-150.1120.3176.1177.349.3000111.3W93 H94 K95 I96 I101 Y160D91-W93 PolarHBondContact OD1-N 3.29Å; D91-H94 PolarHBondContact OD1-N 3.4Å; D91-H94 VanDerWaalsContact OD2-C 3.31Å; D91-H94 WeakPolarHBondContact OD2-CA 3.21Å; D91-H94 PolarHBondContact OD2-N 3.2Å; D91-K95 PolarHBondContact OD1-N 2.86Å; D91-K95 PolarHBondContact OD2-N 2.94Å; D91-I96 HydrophobicContact CB-CB 4.11Å; D91-I96 HydrophobicContact CB-CD1 3.96Å; D91-I96 HydrophobicContact CB-CG1 3.98Å; D91-I96 PolarHBondContact OD2-N 3.02Å; D91-I101 HydrophobicContact CB-CD1 4.14Å; D91-Y160 VanDerWaalsContact O-CB 3.26Å; D91-Y160 WeakPolarHBondContact O-CB 3.46Å
92V87.7Confident95.4Very high11 Ų1140.2 Ų40.27%0.06723%0.227CC..SBendtrans-118.116.5172.9-62.20000111.9M158 Y160 N317 Y319 T320V92-M158 VanDerWaalsContact C-CE 3.41Å; V92-M158 VanDerWaalsContact O-CE 3.28Å; V92-M158 WeakPolarHBondContact O-CE 3.07Å; V92-Y160 HydrophobicContact CG1-CD1 3.98Å; V92-N317 PolarHBondContact O-ND2 2.84Å; V92-Y319 HydrophobicContact CB-CD1 4.1Å; V92-Y319 HydrophobicContact CB-CE1 3.88Å; V92-Y319 HydrophobicContact CG1-CE1 3.89Å; V92-T320 HydrophobicContact CG2-CG2 4.1Å
93W90.1Very high95.4Very high46 Ų4642.1 Ų42.117%0.17424%0.24CC..SBendtrans-118.24.8-179-59.3-79.4000113.5D91 K95 L202 T313 L315D91-W93 PolarHBondContact OD1-N 3.29Å; W93-K95 HydrophobicContact CB-CD 4.36Å; W93-K95 HydrophobicContact CB-CG 4.13Å; W93-K95 PolarHBondContact O-N 2.67Å; W93-L202 HydrophobicContact CH2-CD2 4.1Å; W93-L202 HydrophobicContact CZ2-CD2 4.36Å; W93-T313 WeakPolarHBondContact O-CG2 3.49Å; W93-L315 HydrophobicContact CD2-CD2 4.38Å; W93-L315 HydrophobicContact CZ2-CD2 4.26Å; W93-L315 PolarHBondContact NE1-O 3Å
94H88.2Confident95.4Very high64 Ų6442.9 Ų42.930%0.29625%0.245SC..SBendtrans61.327.8-175.5-53.3-81.1000113.9D91 I96 M158 R303D91-H94 PolarHBondContact OD1-N 3.4Å; D91-H94 VanDerWaalsContact OD2-C 3.31Å; D91-H94 WeakPolarHBondContact OD2-CA 3.21Å; D91-H94 PolarHBondContact OD2-N 3.2Å; H94-I96 VanDerWaalsContact C-N 3.28Å; H94-M158 WeakPolarHBondContact CE1-CE 3.44Å; H94-M158 PolarHBondContact CE1-SD 2.92Å; H94-M158 WeakPolarHBondContact NE2-CE 3.49Å; H94-M158 PolarHBondContact NE2-SD 2.93Å; H94-M158 VanDerWaalsContact NE2-SD 3.41Å; H94-R303 PolarHBondContact CD2-NH1 3.05Å; H94-R303 PolarHBondContact ND1-NH2 3.39Å; H94-R303 PolarHBondContact NE2-NH1 3.02Å; H94-R303 VanDerWaalsContact NE2-NH1 3.16Å
95K90.3Very high95.4Very high93 Ų9342.9 Ų42.940%0.40425%0.245SC..  trans-68.9-31.9170.9-68.2177.4179.2-178.30111.4D91 W93 T313D91-K95 PolarHBondContact OD1-N 2.86Å; D91-K95 PolarHBondContact OD2-N 2.94Å; W93-K95 HydrophobicContact CB-CD 4.36Å; W93-K95 HydrophobicContact CB-CG 4.13Å; W93-K95 PolarHBondContact O-N 2.67Å; K95-T313 HydrophobicContact CB-CG2 4.5Å; K95-T313 HydrophobicContact CG-CG2 3.84Å; K95-T313 WeakPolarHBondContact CG-OG1 3.16Å
96I93.5Very high95.4Very high44 Ų4443 Ų4323%0.22625%0.246CC..SBendtrans-111.9132.7-175.3-55.2-179.2000109.2L89 D91 H94 A98 L100 I101L89-I96 HydrophobicContact CB-CD1 4.13Å; L89-I96 HydrophobicContact CD1-CD1 4.29Å; L89-I96 HydrophobicContact CD1-CG2 3.99Å; L89-I96 HydrophobicContact CD2-CD1 4.18Å; L89-I96 HydrophobicContact CG-CD1 4.42Å; D91-I96 HydrophobicContact CB-CB 4.11Å; D91-I96 HydrophobicContact CB-CD1 3.96Å; D91-I96 HydrophobicContact CB-CG1 3.98Å; D91-I96 PolarHBondContact OD2-N 3.02Å; H94-I96 VanDerWaalsContact C-N 3.28Å; I96-A98 PolarHBondContact O-N 2.86Å; I96-L100 HydrophobicContact CG2-CB 4.16Å; I96-L100 HydrophobicContact CG2-CD2 4Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; I96-I101 HydrophobicContact CB-CD1 4.11Å; I96-I101 HydrophobicContact CB-CG1 4.01Å; I96-I101 HydrophobicContact CG2-CD1 4.31Å; I96-I101 HydrophobicContact CG2-CG1 3.67Å
97P94.2Very high95.4Very high80 Ų8045 Ų4552%0.51926%0.257SS..  trans-55.7136.2174-25.334.3000111.7S99 L100 I101P97-S99 PolarHBondContact O-N 3.26Å; P97-L100 HydrophobicContact CB-CB 4.47Å; P97-L100 PolarHBondContact O-N 2.85Å; P97-I101 PolarHBondContact O-N 3.29Å; P97-I101 VanDerWaalsContact O-N 3.12Å
98A95.8Very high95.4Very high53 Ų5344.4 Ų44.444%0.43825%0.252SS..Hα-helixtrans-56.2-40.1-179.400000112I96 L100 I101 Y102 A159I96-A98 PolarHBondContact O-N 2.86Å; A98-L100 VanDerWaalsContact C-N 3.27Å; A98-L100 PolarHBondContact O-N 3.3Å; A98-I101 WeakPolarHBondContact O-CB 3.31Å; A98-I101 PolarHBondContact O-N 3.48Å; A98-I101 VanDerWaalsContact O-N 3.15Å; A98-Y102 VanDerWaalsContact O-CD2 3.31Å; A98-Y102 WeakPolarHBondContact O-CD2 3.39Å; A98-Y102 PolarHBondContact O-N 3.27Å; A98-A159 HydrophobicContact CB-CB 3.77Å
99S97.3Very high95.5Very high95 Ų9542.6 Ų42.666%0.66424%0.24SC*.Hα-helixtrans-56-41176.551.50000112.7P97 Y102 S103P97-S99 PolarHBondContact O-N 3.26Å; S99-Y102 PolarHBondContact O-N 3.46Å; S99-S103 WeakPolarHBondContact O-CB 3.38Å; S99-S103 PolarHBondContact O-N 2.86Å
100L97.8Very high95.6Very high75 Ų7543.9 Ų43.939%0.39325%0.245SC..Hα-helixtrans-71-39.9177.8-177.458.2000111.7L89 I96 P97 A98 Y102 S103 V104L89-L100 HydrophobicContact CD1-CD2 4.26Å; L89-L100 HydrophobicContact CD1-CG 3.81Å; I96-L100 HydrophobicContact CG2-CB 4.16Å; I96-L100 HydrophobicContact CG2-CD2 4Å; I96-L100 HydrophobicContact CG2-CG 4.2Å; P97-L100 HydrophobicContact CB-CB 4.47Å; P97-L100 PolarHBondContact O-N 2.85Å; A98-L100 VanDerWaalsContact C-N 3.27Å; A98-L100 PolarHBondContact O-N 3.3Å; L100-Y102 VanDerWaalsContact C-N 3.33Å; L100-Y102 PolarHBondContact O-N 2.95Å; L100-S103 PolarHBondContact O-N 2.58Å; L100-V104 HydrophobicContact CD1-CG2 4.21Å; L100-V104 PolarHBondContact O-N 2.85Å
101I98.2Very high95.8Very high2 Ų240.2 Ų40.21%0.0122%0.222CC..Hα-helixtrans-58.6-45173.3-65.7171.4000110.7D91 I96 P97 A98 N105 A159 S163D91-I101 HydrophobicContact CB-CD1 4.14Å; I96-I101 HydrophobicContact CB-CD1 4.11Å; I96-I101 HydrophobicContact CB-CG1 4.01Å; I96-I101 HydrophobicContact CG2-CD1 4.31Å; I96-I101 HydrophobicContact CG2-CG1 3.67Å; P97-I101 PolarHBondContact O-N 3.29Å; P97-I101 VanDerWaalsContact O-N 3.12Å; A98-I101 WeakPolarHBondContact O-CB 3.31Å; A98-I101 PolarHBondContact O-N 3.48Å; A98-I101 VanDerWaalsContact O-N 3.15Å; I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 VanDerWaalsContact O-CG 3.3Å; I101-N105 PolarHBondContact O-N 2.95Å; I101-A159 HydrophobicContact CD1-CB 3.92Å; I101-A159 HydrophobicContact CG2-CB 4.36Å; I101-S163 WeakPolarHBondContact CG2-OG 3.31Å
102Y98.6Very high96.2Very high75 Ų7540.1 Ų40.129%0.29422%0.222SC..Hα-helixtrans-68.5-40.7177.4-86.7-92.9000112.2A98 S99 L100 V104 V106 T107 A159 K162 K166A98-Y102 VanDerWaalsContact O-CD2 3.31Å; A98-Y102 WeakPolarHBondContact O-CD2 3.39Å; A98-Y102 PolarHBondContact O-N 3.27Å; S99-Y102 PolarHBondContact O-N 3.46Å; L100-Y102 VanDerWaalsContact C-N 3.33Å; L100-Y102 PolarHBondContact O-N 2.95Å; Y102-V104 PolarHBondContact O-N 2.89Å; Y102-V106 HydrophobicContact CD1-CG2 3.74Å; Y102-V106 HydrophobicContact CE1-CG2 4.35Å; Y102-V106 WeakPolarHBondContact O-CA 3.38Å; Y102-V106 WeakPolarHBondContact O-CB 3.25Å; Y102-V106 PolarHBondContact O-N 3.44Å; Y102-T107 PolarHBondContact O-N 3.25Å; Y102-A159 HydrophobicContact CE2-CB 4.25Å; Y102-K162 VanDerWaalsContact OH-CB 3.22Å; Y102-K162 WeakPolarHBondContact OH-CB 3.33Å; Y102-K166 HydrophobicContact CE1-CD 4.47Å
103S98.5Very high96.7Very high40 Ų4040.4 Ų40.428%0.2822%0.223SC..Iπ-helixtrans-57.8-49.5176.3-1750000111.1T68 S99 L100 T107 G108T68-S103 WeakPolarHBondContact CG2-OG 3.39Å; S99-S103 WeakPolarHBondContact O-CB 3.38Å; S99-S103 PolarHBondContact O-N 2.86Å; L100-S103 PolarHBondContact O-N 2.58Å; S103-T107 CarbonylContact O-C 3.58Å; S103-T107 WeakPolarHBondContact O-CA 3.15Å; S103-T107 VanDerWaalsContact O-CB 3.26Å; S103-T107 WeakPolarHBondContact O-CB 3.43Å; S103-T107 PolarHBondContact O-N 2.9Å; S103-G108 PolarHBondContact O-N 3.23Å
104V98.6Very high97.1Very high16 Ų1644.3 Ų44.310%0.09724%0.237CC..Iπ-helixtrans-71-52.5179.7174.30000111.9I67 T68 L89 L100 Y102 G108I67-V104 HydrophobicContact CG2-CG1 3.86Å; T68-V104 HydrophobicContact CG2-CG2 3.89Å; L89-V104 HydrophobicContact CD1-CB 4.03Å; L89-V104 HydrophobicContact CD1-CG1 4.48Å; L89-V104 HydrophobicContact CD1-CG2 3.69Å; L89-V104 HydrophobicContact CG-CB 4.05Å; L89-V104 HydrophobicContact CG-CG1 3.98Å; L89-V104 HydrophobicContact CG-CG2 4.07Å; L100-V104 HydrophobicContact CD1-CG2 4.21Å; L100-V104 PolarHBondContact O-N 2.85Å; Y102-V104 PolarHBondContact O-N 2.89Å; V104-G108 WeakPolarHBondContact O-CA 3.43Å; V104-G108 PolarHBondContact O-N 2.85Å
105N98.7Very high97.6Very high0 Ų041.2 Ų41.20%022%0.223CC..Iπ-helixtrans-80.2-24.8-168.8-62.85.2000113.2S88 L89 I101 T109 S163 A167S88-N105 WeakPolarHBondContact CA-OD1 3.21Å; S88-N105 PolarHBondContact OG-ND2 3.14Å; S88-N105 PolarHBondContact OG-OD1 3.34Å; L89-N105 PolarHBondContact N-OD1 2.93Å; L89-N105 PolarHBondContact O-ND2 3.18Å; L89-N105 PolarHBondContact O-OD1 2.71Å; I101-N105 WeakPolarHBondContact O-CB 3.26Å; I101-N105 VanDerWaalsContact O-CG 3.3Å; I101-N105 PolarHBondContact O-N 2.95Å; N105-T109 PolarHBondContact O-OG1 2.93Å; N105-S163 WeakPolarHBondContact CB-OG 3.43Å; N105-S163 PolarHBondContact ND2-OG 3.4Å; N105-A167 WeakPolarHBondContact O-CB 3.25Å
106V98.8Very high98Very high3 Ų336.8 Ų36.82%0.01820%0.204CC..Iπ-helixtrans-108.1-60.6-178-175.10000110.2Y102 G108 T109 E110 K166 I170Y102-V106 HydrophobicContact CD1-CG2 3.74Å; Y102-V106 HydrophobicContact CE1-CG2 4.35Å; Y102-V106 WeakPolarHBondContact O-CA 3.38Å; Y102-V106 WeakPolarHBondContact O-CB 3.25Å; Y102-V106 PolarHBondContact O-N 3.44Å; V106-G108 VanDerWaalsContact C-N 3.3Å; V106-G108 PolarHBondContact O-N 2.89Å; V106-T109 WeakPolarHBondContact O-CB 3.38Å; V106-T109 PolarHBondContact O-N 2.82Å; V106-T109 VanDerWaalsContact O-N 3.09Å; V106-E110 WeakPolarHBondContact O-CG 3.49Å; V106-E110 PolarHBondContact O-N 2.87Å; V106-K166 HydrophobicContact CG1-CD 3.8Å; V106-K166 HydrophobicContact CG1-CG 4.01Å; V106-K166 HydrophobicContact CG2-CB 4.24Å; V106-K166 HydrophobicContact CG2-CD 4.2Å; V106-K166 HydrophobicContact CG2-CG 4.34Å; V106-I170 HydrophobicContact CG1-CD1 3.65Å
107T98.8Very high98.3Very high59 Ų5936.8 Ų36.836%0.36221%0.206SC..Iπ-helixtrans-65.4-36.1-179.1-55.10000111.3Y102 S103 T109 E110 N111Y102-T107 PolarHBondContact O-N 3.25Å; S103-T107 CarbonylContact O-C 3.58Å; S103-T107 WeakPolarHBondContact O-CA 3.15Å; S103-T107 VanDerWaalsContact O-CB 3.26Å; S103-T107 WeakPolarHBondContact O-CB 3.43Å; S103-T107 PolarHBondContact O-N 2.9Å; T107-T109 PolarHBondContact O-N 2.87Å; T107-E110 WeakPolarHBondContact O-CB 3.41Å; T107-E110 PolarHBondContact O-N 2.98Å; T107-N111 PolarHBondContact O-N 2.99Å
108G98.8Very high98.5Very high0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-61.5-40.6171.100000113.3I67 S103 V104 V106 N111 V112I67-G108 WeakPolarHBondContact O-CA 3.17Å; S103-G108 PolarHBondContact O-N 3.23Å; V104-G108 WeakPolarHBondContact O-CA 3.43Å; V104-G108 PolarHBondContact O-N 2.85Å; V106-G108 VanDerWaalsContact C-N 3.3Å; V106-G108 PolarHBondContact O-N 2.89Å; G108-N111 WeakPolarHBondContact O-CB 3.32Å; G108-N111 PolarHBondContact O-N 3.22Å; G108-V112 WeakPolarHBondContact O-CG2 3.29Å; G108-V112 PolarHBondContact O-N 2.84Å
109T98.9Very high98.6Very high0 Ų036.7 Ų36.70%019%0.193CC..Hα-helixtrans-66.1-40.6174.1-61.90000112.1H85 N105 V106 T107 N111 V112 I113 Y126 A167 V171H85-T109 PolarHBondContact CD2-OG1 3.1Å; H85-T109 WeakPolarHBondContact NE2-CA 3.46Å; H85-T109 PolarHBondContact NE2-OG1 3.19Å; N105-T109 PolarHBondContact O-OG1 2.93Å; V106-T109 WeakPolarHBondContact O-CB 3.38Å; V106-T109 PolarHBondContact O-N 2.82Å; V106-T109 VanDerWaalsContact O-N 3.09Å; T107-T109 PolarHBondContact O-N 2.87Å; T109-N111 VanDerWaalsContact C-N 3.31Å; T109-N111 PolarHBondContact O-N 3.12Å; T109-V112 PolarHBondContact O-N 3.28Å; T109-I113 HydrophobicContact CG2-CD1 4.01Å; T109-I113 WeakPolarHBondContact O-CG1 3.48Å; T109-I113 PolarHBondContact O-N 2.9Å; T109-Y126 HydrophobicContact CG2-CE2 4.38Å; T109-A167 HydrophobicContact CG2-CB 4.26Å; T109-V171 HydrophobicContact CG2-CG2 3.48Å; T109-V171 VanDerWaalsContact CG2-CG2 3.48Å
110E98.9Very high98.6Very high77 Ų7733 Ų3336%0.3617%0.17SC..Hα-helixtrans-59.4-42.1173.2-70.5166.8171.800111.3V106 T107 I113 R114 I170V106-E110 WeakPolarHBondContact O-CG 3.49Å; V106-E110 PolarHBondContact O-N 2.87Å; T107-E110 WeakPolarHBondContact O-CB 3.41Å; T107-E110 PolarHBondContact O-N 2.98Å; E110-I113 PolarHBondContact O-N 3.4Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 PolarHBondContact O-N 3.5Å; E110-I170 HydrophobicContact CG-CD1 4.04Å; E110-I170 HydrophobicContact CG-CG2 4.17Å; E110-I170 WeakPolarHBondContact OE1-CD1 3.39Å
111N98.9Very high98.7Very high8 Ų829.4 Ų29.44%0.04315%0.151CC..Hα-helixtrans-61.5-45175.3-76.9-24.7000112.3I67 T68 Y70 V73 T107 G108 T109 R114 A115I67-N111 PolarHBondContact O-ND2 3.29Å; T68-N111 PolarHBondContact O-ND2 3.17Å; T68-N111 VanDerWaalsContact O-ND2 3.07Å; Y70-N111 HydrophobicContact CD2-CB 4.14Å; V73-N111 HydrophobicContact CG2-CB 4.34Å; T107-N111 PolarHBondContact O-N 2.99Å; G108-N111 WeakPolarHBondContact O-CB 3.32Å; G108-N111 PolarHBondContact O-N 3.22Å; T109-N111 VanDerWaalsContact C-N 3.31Å; T109-N111 PolarHBondContact O-N 3.12Å; N111-R114 PolarHBondContact O-N 3.1Å; N111-R114 PolarHBondContact OD1-NH2 2.95Å; N111-A115 WeakPolarHBondContact O-CB 3.34Å; N111-A115 PolarHBondContact O-N 3.08Å
112V98.9Very high98.6Very high1 Ų132.2 Ų32.21%0.00616%0.164CC..Hα-helixtrans-60.1-47.7177.1170.70000111T14 I67 V73 V83 H85 G108 T109 R114 A115 C116 L124T14-V112 HydrophobicContact CG2-CG2 4.25Å; I67-V112 HydrophobicContact CD1-CG2 3.42Å; I67-V112 VanDerWaalsContact CD1-CG2 3.42Å; I67-V112 HydrophobicContact CG1-CG2 4.25Å; V73-V112 HydrophobicContact CG1-CG2 3.94Å; V83-V112 HydrophobicContact CG1-CG1 3.82Å; H85-V112 HydrophobicContact CB-CG1 4.35Å; G108-V112 WeakPolarHBondContact O-CG2 3.29Å; G108-V112 PolarHBondContact O-N 2.84Å; T109-V112 PolarHBondContact O-N 3.28Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 3.42Å; V112-A115 PolarHBondContact O-N 3.05Å; V112-C116 PolarHBondContact O-N 2.9Å; V112-C116 PolarHBondContact O-SG 2.81Å; V112-L124 HydrophobicContact CG1-CD1 3.91Å
113I98.9Very high98.6Very high18 Ų1829.3 Ų29.39%0.09215%0.153CC..Hα-helixtrans-61.1-44.9179-68.7163.5000110.6T109 E110 A115 C116 V117 L124 I170 V171 A174 L185T109-I113 HydrophobicContact CG2-CD1 4.01Å; T109-I113 WeakPolarHBondContact O-CG1 3.48Å; T109-I113 PolarHBondContact O-N 2.9Å; E110-I113 PolarHBondContact O-N 3.4Å; I113-A115 VanDerWaalsContact C-N 3.35Å; I113-A115 PolarHBondContact O-N 3.12Å; I113-C116 WeakPolarHBondContact O-CB 3.07Å; I113-C116 PolarHBondContact O-N 3.33Å; I113-V117 WeakPolarHBondContact O-CG2 3.13Å; I113-V117 PolarHBondContact O-N 3.49Å; I113-L124 HydrophobicContact CG1-CD2 3.73Å; I113-I170 HydrophobicContact CD1-CG2 3.62Å; I113-V171 HydrophobicContact CD1-CG2 3.98Å; I113-A174 HydrophobicContact CD1-CB 4.08Å; I113-A174 HydrophobicContact CG1-CB 4.35Å; I113-A174 HydrophobicContact CG2-CB 3.57Å; I113-L185 HydrophobicContact CG2-CD2 4.38Å
114R98.8Very high98.6Very high127 Ų12727.4 Ų27.448%0.47914%0.139SC..Hα-helixtrans-61.2-43.7177.8-173.2174.854.6-175.8-11.3111.6Y70 E110 N111 V112 V117 E118Y70-R114 HydrophobicContact CE2-CB 3.83Å; Y70-R114 HydrophobicContact CE2-CG 3.72Å; Y70-R114 VanDerWaalsContact CG-CZ 3.5Å; Y70-R114 VanDerWaalsContact CZ-NE 3.29Å; Y70-R114 WeakPolarHBondContact OH-CG 3.47Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 PolarHBondContact O-N 3.5Å; N111-R114 PolarHBondContact O-N 3.1Å; N111-R114 PolarHBondContact OD1-NH2 2.95Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 3.42Å; R114-V117 PolarHBondContact O-N 2.81Å; R114-E118 PolarHBondContact O-N 2.65Å
115A98.9Very high98.6Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-64.8-41.1176.700000111.8Y70 V73 L74 T77 N111 V112 I113 V117 E118 C119Y70-A115 HydrophobicContact CE2-CB 4.16Å; V73-A115 HydrophobicContact CG1-CB 3.87Å; L74-A115 HydrophobicContact CD1-CB 4.36Å; T77-A115 HydrophobicContact CG2-CB 4.18Å; N111-A115 WeakPolarHBondContact O-CB 3.34Å; N111-A115 PolarHBondContact O-N 3.08Å; V112-A115 PolarHBondContact O-N 3.05Å; I113-A115 VanDerWaalsContact C-N 3.35Å; I113-A115 PolarHBondContact O-N 3.12Å; A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.94Å; A115-E118 PolarHBondContact O-N 2.97Å; A115-C119 VanDerWaalsContact O-CB 3.25Å; A115-C119 WeakPolarHBondContact O-CB 3.37Å; A115-C119 PolarHBondContact O-N 3.45Å; A115-C119 PolarHBondContact O-SG 2.87Å
116C98.8Very high98.6Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-56.1-46.8173.7-73.40000111.6V112 I113 G120 V121 L185V112-C116 PolarHBondContact O-N 2.9Å; V112-C116 PolarHBondContact O-SG 2.81Å; I113-C116 WeakPolarHBondContact O-CB 3.07Å; I113-C116 PolarHBondContact O-N 3.33Å; C116-G120 PolarHBondContact O-N 3.25Å; C116-V121 HydrophobicContact CB-CB 3.84Å; C116-V121 HydrophobicContact CB-CG1 4.37Å; C116-V121 HydrophobicContact CB-CG2 4.3Å; C116-V121 PolarHBondContact O-N 3.31Å; C116-L185 HydrophobicContact CB-CD1 4.03Å; C116-L185 HydrophobicContact CB-CD2 4.28Å
117V98.6Very high98.6Very high44 Ų4427.1 Ų27.127%0.26714%0.137SC..Hα-helixtrans-62.4-47.2178.3168.40000111.6I113 R114 A115 Q178 V179 K180 L185I113-V117 WeakPolarHBondContact O-CG2 3.13Å; I113-V117 PolarHBondContact O-N 3.49Å; R114-V117 PolarHBondContact O-N 2.81Å; A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.94Å; V117-Q178 WeakPolarHBondContact CG1-O 3.48Å; V117-V179 HydrophobicContact CG2-CG1 4.33Å; V117-K180 PolarHBondContact O-N 3.35Å; V117-L185 HydrophobicContact CG2-CD2 4.4Å
118E98.4Very high98.6Very high96 Ų9624.5 Ų24.545%0.44912%0.122SC..Hα-helixtrans-68.9-36.8-177.7-169175.2151.300112.8Y70 L74 R114 A115 K180Y70-E118 PolarHBondContact OH-OE2 3.11Å; L74-E118 HydrophobicContact CD1-CB 4.06Å; L74-E118 HydrophobicContact CD1-CG 4.08Å; R114-E118 PolarHBondContact O-N 2.65Å; A115-E118 PolarHBondContact O-N 2.97Å; E118-K180 WeakPolarHBondContact O-CB 3.49Å; E118-K180 WeakPolarHBondContact O-CD 3.25Å
119C98.5Very high98.5Very high34 Ų3425.1 Ų25.123%0.2313%0.126CC..Hα-helixtrans-86.7-7.4-178.9-67.80000114.3T77 A115 V121T77-C119 HydrophobicContact CG2-CB 3.9Å; A115-C119 VanDerWaalsContact O-CB 3.25Å; A115-C119 WeakPolarHBondContact O-CB 3.37Å; A115-C119 PolarHBondContact O-N 3.45Å; A115-C119 PolarHBondContact O-SG 2.87Å; C119-V121 HydrophobicContact CB-CG2 4.29Å
120G98.1Very high98.3Very high18 Ų1825.3 Ų25.319%0.18613%0.127CC..THydrogen-bonded Turntrans8122.2-179.900000114.3C116 K180C116-G120 PolarHBondContact O-N 3.25Å; G120-K180 WeakPolarHBondContact CA-O 3.33Å
121V98.4Very high98.1Very high0 Ų023.1 Ų23.10%012%0.116CC..  trans-68.8130.3178.2178.70000109.6T77 V80 V83 C116 C119 R123 L185T77-V121 HydrophobicContact CG2-CG2 3.46Å; T77-V121 VanDerWaalsContact CG2-CG2 3.46Å; V80-V121 HydrophobicContact CB-CG2 4.32Å; V83-V121 HydrophobicContact CG2-CG1 3.98Å; V83-V121 HydrophobicContact CG2-CG2 4.35Å; C116-V121 HydrophobicContact CB-CB 3.84Å; C116-V121 HydrophobicContact CB-CG1 4.37Å; C116-V121 HydrophobicContact CB-CG2 4.3Å; C116-V121 PolarHBondContact O-N 3.31Å; C119-V121 HydrophobicContact CB-CG2 4.29Å; V121-R123 WeakPolarHBondContact CG1-O 3.17Å; V121-L185 WeakPolarHBondContact O-CD1 3.39Å
122E96.1Very high97.8Very high60 Ų6023.1 Ų23.128%0.2812%0.117SC..  trans-91.6-22-177-64.3-176.3-122.900113.6K183 Y186E122-K183 HydrophobicContact CG-CB 4.25Å; E122-K183 HydrophobicContact CG-CD 3.78Å; E122-K183 WeakPolarHBondContact OE1-CD 3.41Å; E122-K183 WeakPolarHBondContact OE1-CE 3.46Å; E122-K183 IonicContact OE1-NZ 2.66Å; E122-K183 PolarHBondContact OE1-NZ 2.96Å; E122-K183 WeakPolarHBondContact OE2-CD 3.41Å; E122-Y186 PolarHBondContact O-N 3.45Å
123R98.5Very high97.6Very high15 Ų1524.5 Ų24.56%0.05712%0.124CC..EExtended strand (participates in β ladder)trans-135.3123.8-168.6-67172.3-73.4157.10.6111.9V82 V83 V121 Y186 A243 L246V82-R123 WeakPolarHBondContact CA-O 3.48Å; V82-R123 HydrophobicContact CG1-CB 4.24Å; V82-R123 HydrophobicContact CG2-CB 4.27Å; V83-R123 PolarHBondContact N-O 3.19Å; V121-R123 WeakPolarHBondContact CG1-O 3.17Å; R123-Y186 WeakPolarHBondContact CA-O 3.43Å; R123-A243 PolarHBondContact NH1-O 3.34Å; R123-L246 HydrophobicContact CB-CD1 4.33Å; R123-L246 HydrophobicContact CG-CB 3.96Å
124L98.9Very high97.1Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-127114.7175.9171.563000110.3V83 H85 V112 I113 V171 L185 Y186 T187 C188V83-L124 HydrophobicContact CB-CD1 3.85Å; V83-L124 HydrophobicContact CG1-CD1 3.68Å; V83-L124 WeakPolarHBondContact O-CA 3.38Å; H85-L124 HydrophobicContact CB-CD1 3.89Å; V112-L124 HydrophobicContact CG1-CD1 3.91Å; I113-L124 HydrophobicContact CG1-CD2 3.73Å; L124-V171 HydrophobicContact CD2-CG1 4.46Å; L124-L185 HydrophobicContact CB-CD1 4.05Å; L124-Y186 PolarHBondContact N-O 2.67Å; L124-T187 HydrophobicContact CB-CG2 4.19Å; L124-T187 HydrophobicContact CD2-CG2 4.23Å; L124-T187 VanDerWaalsContact O-CA 3.25Å; L124-T187 WeakPolarHBondContact O-CA 3.45Å; L124-C188 PolarHBondContact O-N 2.85Å; L124-C188 VanDerWaalsContact O-N 3.08Å
125V98.9Very high96.6Very high0 Ų017.6 Ų17.60%010%0.097CC..EExtended strand (participates in β ladder)trans-102.1116.8171.4-174.30000108.3V83 I84 H85 L190 H239 A242 A243 L246V83-V125 PolarHBondContact O-N 3.46Å; I84-V125 WeakPolarHBondContact CA-O 3.49Å; H85-V125 PolarHBondContact N-O 3.39Å; V125-L190 HydrophobicContact CG1-CD1 3.8Å; V125-L190 HydrophobicContact CG1-CG 3.98Å; V125-H239 HydrophobicContact CG1-CB 4.41Å; V125-A242 HydrophobicContact CG1-CB 4.2Å; V125-A242 HydrophobicContact CG2-CB 4.31Å; V125-A243 HydrophobicContact CG2-CB 4Å; V125-L246 HydrophobicContact CG2-CD1 3.81Å
126Y98.9Very high96Very high1 Ų117.6 Ų17.60%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-96.7128.3178.8179.3-122.1000111.5H85 T109 S128 K164 A167 E168 V171 C188 S189 L190H85-Y126 HydrophobicContact CB-CD2 4.07Å; H85-Y126 AromaticContact CD2-CD2 3.31Å; H85-Y126 WeakPolarHBondContact CD2-CD2 3.43Å; H85-Y126 AromaticContact CD2-CE2 3.39Å; H85-Y126 WeakPolarHBondContact CD2-CE2 3.3Å; H85-Y126 AromaticContact CG-CD2 3.91Å; H85-Y126 AromaticContact NE2-CE2 3.78Å; H85-Y126 WeakPolarHBondContact O-CD2 3.41Å; T109-Y126 HydrophobicContact CG2-CE2 4.38Å; Y126-S128 PolarHBondContact O-N 3.27Å; Y126-K164 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K164 WeakPolarHBondContact OH-CE 3.39Å; Y126-K164 PolarHBondContact OH-NZ 3.48Å; Y126-A167 HydrophobicContact CE1-CB 4.27Å; Y126-A167 WeakPolarHBondContact OH-CB 3.49Å; Y126-E168 HydrophobicContact CD1-CB 4.47Å; Y126-E168 HydrophobicContact CE1-CB 4.16Å; Y126-V171 HydrophobicContact CD1-CG2 4.07Å; Y126-V171 HydrophobicContact CD2-CG2 4.22Å; Y126-V171 HydrophobicContact CG-CG2 3.83Å; Y126-C188 PolarHBondContact N-O 2.97Å; Y126-S189 WeakPolarHBondContact O-CA 3.46Å; Y126-L190 PolarHBondContact O-N 3.09Å
127T98.8Very high95.3Very high11 Ų1119.9 Ų19.97%0.06711%0.111CC..EExtended strand (participates in β ladder)trans-79.3100.2167.8-47.40000108.3L20 H85 S86 K164 P192 H239L20-T127 HydrophobicContact CD2-CG2 3.52Å; H85-T127 PolarHBondContact O-N 3.27Å; H85-T127 PolarHBondContact O-OG1 3.3Å; S86-T127 WeakPolarHBondContact CB-OG1 3.4Å; T127-K164 PolarHBondContact O-NZ 3.24Å; T127-P192 HydrophobicContact CG2-CG 4.21Å; T127-H239 PolarHBondContact OG1-NE2 2.98Å
128S98.4Very high94.7Very high5 Ų522.3 Ų22.34%0.03512%0.117CC..  trans-84.4-150.7169.4-166.80000111Y126 V132 E168 L190Y126-S128 PolarHBondContact O-N 3.27Å; S128-V132 WeakPolarHBondContact OG-CG2 3.26Å; S128-E168 WeakPolarHBondContact CB-OE2 3.29Å; S128-E168 PolarHBondContact OG-OE2 3.38Å; S128-L190 CarbonylContact C-O 3.59Å; S128-L190 WeakPolarHBondContact CA-O 3.34Å; S128-L190 WeakPolarHBondContact CB-O 3.37Å; S128-L190 PolarHBondContact N-O 3.22Å
129S97.4Very high93.9Very high12 Ų1219.1 Ų19.18%0.08411%0.11CC..  trans-155.9150.4178.2-179.40000110.9E131 V132 Y160S129-E131 PolarHBondContact O-N 2.89Å; S129-E131 PolarHBondContact OG-N 2.88Å; S129-V132 WeakPolarHBondContact O-CB 3.43Å; S129-V132 WeakPolarHBondContact O-CG2 3.46Å; S129-V132 PolarHBondContact O-N 2.86Å; S129-V132 VanDerWaalsContact O-N 3.08Å; S129-Y160 WeakPolarHBondContact CB-OH 3.37Å
130M94.9Very high93.3Very high5 Ų520.5 Ų20.53%0.02512%0.115CC..G310 helixtrans-56.1-30.2168.175.1171-164.400112.4V132 I133 G134 P192 T193 F259 F328M130-V132 PolarHBondContact O-N 2.91Å; M130-I133 PolarHBondContact O-N 3.45Å; M130-G134 CarbonylContact C-O 3.48Å; M130-G134 PolarHBondContact O-N 3.29Å; M130-P192 PolarHBondContact N-O 3.4Å; M130-T193 HydrophobicContact SD-CG2 4.16Å; M130-F259 HydrophobicContact CB-CE1 4.25Å; M130-F328 HydrophobicContact CB-CE1 3.89Å; M130-F328 HydrophobicContact CB-CZ 4.47Å; M130-F328 HydrophobicContact CG-CE1 4.32Å; M130-F328 HydrophobicContact SD-CD1 3.75Å; M130-F328 HydrophobicContact SD-CE1 3.95Å
131E93.2Very high92.8Very high30 Ų3023 Ų2314%0.1412%0.122CC..G310 helixtrans-65.1-7.3178.3-72.3-161.4-113.900113.3S129 I133 H156 Y160 P161 Y319S129-E131 PolarHBondContact O-N 2.89Å; S129-E131 PolarHBondContact OG-N 2.88Å; E131-I133 PolarHBondContact O-N 3.32Å; E131-H156 PolarHBondContact O-CE1 3.29Å; E131-H156 PolarHBondContact O-NE2 3.31Å; E131-Y160 HydrophobicContact CB-CE1 4.33Å; E131-P161 HydrophobicContact CB-CB 4.39Å; E131-P161 HydrophobicContact CB-CG 4.33Å; E131-P161 WeakPolarHBondContact O-CB 3.38Å; E131-P161 WeakPolarHBondContact OE2-CG 3.42Å; E131-Y319 PolarHBondContact OE2-OH 3.12Å
132V94.2Very high92.4Very high9 Ų923.1 Ų23.16%0.05512%0.123CC..G310 helixtrans-65.1-27.5165.9172.40000111.5S128 S129 M130 V154 K164 A165S128-V132 WeakPolarHBondContact OG-CG2 3.26Å; S129-V132 WeakPolarHBondContact O-CB 3.43Å; S129-V132 WeakPolarHBondContact O-CG2 3.46Å; S129-V132 PolarHBondContact O-N 2.86Å; S129-V132 VanDerWaalsContact O-N 3.08Å; M130-V132 PolarHBondContact O-N 2.91Å; V132-V154 VanDerWaalsContact O-CG1 3.26Å; V132-V154 WeakPolarHBondContact O-CG1 3.22Å; V132-K164 HydrophobicContact CG2-CB 3.57Å; V132-A165 HydrophobicContact CB-CB 4.43Å; V132-A165 HydrophobicContact CG1-CB 3.75Å; V132-A165 HydrophobicContact CG2-CB 4.38Å
133I93.4Very high91.1Very high30 Ų3027.4 Ų27.415%0.15414%0.14CC..THydrogen-bonded Turntrans-108.5-51.6-179.1-55.2-58.5000110.4M130 E131 F142 Y152 V154 F259 F328M130-I133 PolarHBondContact O-N 3.45Å; E131-I133 PolarHBondContact O-N 3.32Å; I133-F142 HydrophobicContact CG2-CD2 4.48Å; I133-F142 HydrophobicContact CG2-CE2 3.92Å; I133-Y152 HydrophobicContact CG2-CD1 3.65Å; I133-Y152 HydrophobicContact CG2-CE1 4.44Å; I133-Y152 HydrophobicContact CG2-CG 4.3Å; I133-Y152 VanDerWaalsContact O-CD1 3.31Å; I133-Y152 WeakPolarHBondContact O-CD1 3.48Å; I133-Y152 WeakPolarHBondContact O-CE1 3.28Å; I133-V154 HydrophobicContact CD1-CG2 4.28Å; I133-V154 HydrophobicContact CG2-CG2 4.35Å; I133-F259 HydrophobicContact CB-CZ 4.44Å; I133-F259 HydrophobicContact CG1-CZ 4.14Å; I133-F328 HydrophobicContact CB-CZ 4.4Å; I133-F328 HydrophobicContact CG2-CE2 4.4Å; I133-F328 HydrophobicContact CG2-CZ 4.35Å
134G89.8Confident89.9Confident0 Ų032.1 Ų32.10%018%0.176CC..  trans174.5-169.4-178.300000113.4M130 F328M130-G134 CarbonylContact C-O 3.48Å; M130-G134 PolarHBondContact O-N 3.29Å; G134-F328 VanDerWaalsContact C-CD2 3.44Å; G134-F328 VanDerWaalsContact CA-CE2 3.48Å
135P88.1Confident89.3Confident0 Ų038.1 Ų38.10%020%0.198CC..SBendcis-62.3157.4-5.99.6-5.6000111.8H156 V323 T326 F328P135-H156 PolarHBondContact O-CE1 2.88Å; P135-V323 HydrophobicContact CB-CG1 4.33Å; P135-V323 HydrophobicContact CG-CG1 3.8Å; P135-T326 HydrophobicContact CB-CG2 3.84Å; P135-F328 HydrophobicContact CB-CB 3.96Å; P135-F328 HydrophobicContact CB-CD2 4.1Å; P135-F328 HydrophobicContact CB-CG 4.33Å; P135-F328 VanDerWaalsContact CD-CG 3.48Å; P135-F328 HydrophobicContact CG-CB 3.45Å; P135-F328 VanDerWaalsContact CG-CB 3.45Å; P135-F328 HydrophobicContact CG-CD2 4.16Å; P135-F328 HydrophobicContact CG-CG 3.93Å; P135-F328 VanDerWaalsContact N-CD2 3.26Å
136N84.9Confident88.9Confident0 Ų038.4 Ų38.40%020%0.201CC..  trans-138.3176.9-171.678.546.2000112.7K138 G139 Y152 E153 K155N136-K138 PolarHBondContact O-N 3.3Å; N136-K138 VanDerWaalsContact O-N 3.11Å; N136-K138 VanDerWaalsContact OD1-CB 3.23Å; N136-K138 WeakPolarHBondContact OD1-CB 3.05Å; N136-K138 PolarHBondContact OD1-N 3.21Å; N136-G139 PolarHBondContact O-N 2.96Å; N136-Y152 WeakPolarHBondContact ND2-CE1 3.48Å; N136-E153 PolarHBondContact ND2-O 3.25Å; N136-K155 WeakPolarHBondContact CB-O 3.39Å; N136-K155 PolarHBondContact ND2-N 2.92Å
137V85.3Confident88.7Confident48 Ų4839.7 Ų39.729%0.29121%0.208SC..THydrogen-bonded Turntrans-70.1-9.5-169.5-55.40000114.6G139 K155 T157 Y319V137-G139 VanDerWaalsContact C-N 3.27Å; V137-K155 HydrophobicContact CG2-CD 4.42Å; V137-K155 HydrophobicContact CG2-CG 4.18Å; V137-K155 WeakPolarHBondContact CG2-O 3.45Å; V137-K155 PolarHBondContact N-O 3.28Å; V137-T157 HydrophobicContact CG1-CG2 4.2Å; V137-T157 HydrophobicContact CG2-CG2 4.26Å; V137-Y319 HydrophobicContact CG1-CD2 3.42Å; V137-Y319 VanDerWaalsContact CG1-CD2 3.42Å; V137-Y319 HydrophobicContact CG1-CE2 3.8Å
138K85.6Confident88.5Confident94 Ų9440.7 Ų40.741%0.40921%0.212SC..THydrogen-bonded Turntrans-72.6-24.6176.1-167.2175.4171-155.50111.7N136 D140 E153N136-K138 PolarHBondContact O-N 3.3Å; N136-K138 VanDerWaalsContact O-N 3.11Å; N136-K138 VanDerWaalsContact OD1-CB 3.23Å; N136-K138 WeakPolarHBondContact OD1-CB 3.05Å; N136-K138 PolarHBondContact OD1-N 3.21Å; K138-D140 VanDerWaalsContact C-N 3.26Å; K138-D140 WeakPolarHBondContact CD-OD2 3.36Å; K138-D140 WeakPolarHBondContact CE-OD2 3.43Å; K138-D140 IonicContact NZ-OD2 3.73Å; K138-D140 PolarHBondContact NZ-OD2 3.38Å; K138-E153 IonicContact NZ-OE2 2.85Å; K138-E153 PolarHBondContact NZ-OE2 2.68Å
139G81.9Confident88.2Confident29 Ų2946.3 Ų46.330%0.29924%0.242SC..  trans797-17800000114.1N136 V137 H141 T326N136-G139 PolarHBondContact O-N 2.96Å; V137-G139 VanDerWaalsContact C-N 3.27Å; G139-H141 PolarHBondContact O-N 3.18Å; G139-T326 WeakPolarHBondContact CA-OG1 3.42Å
140D86.3Confident87.9Confident63 Ų6348.2 Ų48.234%0.33725%0.253SS..  trans-69.8121.3176.5-71.8-9.7000109.1K138 Y152 T326K138-D140 VanDerWaalsContact C-N 3.26Å; K138-D140 WeakPolarHBondContact CD-OD2 3.36Å; K138-D140 WeakPolarHBondContact CE-OD2 3.43Å; K138-D140 IonicContact NZ-OD2 3.73Å; K138-D140 PolarHBondContact NZ-OD2 3.38Å; D140-Y152 HydrophobicContact CB-CE2 3.93Å; D140-Y152 WeakPolarHBondContact O-CE2 3.46Å; D140-Y152 PolarHBondContact O-OH 3.14Å; D140-T326 VanDerWaalsContact O-CG2 3.25Å; D140-T326 WeakPolarHBondContact O-CG2 3.46Å
141H87.8Confident87.7Confident71 Ų7157.9 Ų57.933%0.32930%0.295SS..  trans-66.9137.5176.4-60.1-111.2000109.9G139 K143 T327G139-H141 PolarHBondContact O-N 3.18Å; H141-K143 HydrophobicContact CB-CG 3.69Å; H141-K143 PolarHBondContact O-N 3.01Å; H141-T327 WeakPolarHBondContact CA-O 2.86Å; H141-T327 WeakPolarHBondContact ND1-CB 3.49Å; H141-T327 PolarHBondContact ND1-N 3.03Å; H141-T327 PolarHBondContact ND1-OG1 3.08Å
142F88.3Confident87.5Confident3 Ų358.2 Ų58.21%0.01330%0.295CS..EExtended strand (participates in β ladder)trans-80.674.1168.6-159.8-101.9000108I133 T150 Y152 F259 T327 F328 T329 V330I133-F142 HydrophobicContact CG2-CD2 4.48Å; I133-F142 HydrophobicContact CG2-CE2 3.92Å; F142-T150 HydrophobicContact CD2-CG2 4.29Å; F142-T150 HydrophobicContact CE1-CG2 4.25Å; F142-T150 HydrophobicContact CE2-CG2 3.72Å; F142-T150 HydrophobicContact CZ-CG2 3.7Å; F142-Y152 HydrophobicContact CB-CE2 4.35Å; F142-Y152 HydrophobicContact CD2-CD1 4.07Å; F142-Y152 AromaticContact CD2-CD2 3.55Å; F142-Y152 HydrophobicContact CD2-CD2 3.55Å; F142-Y152 HydrophobicContact CD2-CE1 4.5Å; F142-Y152 HydrophobicContact CD2-CE2 4.05Å; F142-Y152 AromaticContact CD2-CG 3.55Å; F142-Y152 HydrophobicContact CD2-CG 3.55Å; F142-Y152 HydrophobicContact CE2-CD1 4.41Å; F142-Y152 HydrophobicContact CE2-CD2 4.28Å; F142-Y152 AromaticContact CE2-CG 3.88Å; F142-Y152 HydrophobicContact CE2-CG 3.88Å; F142-F259 HydrophobicContact CZ-CE2 4.35Å; F142-F259 HydrophobicContact CZ-CZ 4.37Å; F142-T327 PolarHBondContact N-O 2.92Å; F142-F328 HydrophobicContact CB-CB 4.48Å; F142-F328 HydrophobicContact CB-CD2 3.37Å; F142-F328 HydrophobicContact CB-CE2 3.65Å; F142-F328 HydrophobicContact CB-CG 3.99Å; F142-F328 HydrophobicContact CB-CZ 4.46Å; F142-F328 HydrophobicContact CD1-CE2 4.22Å; F142-F328 HydrophobicContact CD1-CZ 4.25Å; F142-F328 HydrophobicContact CD2-CD2 4.36Å; F142-F328 AromaticContact CD2-CE2 3.74Å; F142-F328 HydrophobicContact CD2-CE2 3.74Å; F142-F328 HydrophobicContact CD2-CZ 4.27Å; F142-F328 HydrophobicContact CE2-CE2 4.4Å; F142-F328 AromaticContact CG-CD2 3.91Å; F142-F328 HydrophobicContact CG-CD2 3.91Å; F142-F328 AromaticContact CG-CE2 3.64Å; F142-F328 HydrophobicContact CG-CE2 3.64Å; F142-F328 HydrophobicContact CG-CZ 4.11Å; F142-T329 WeakPolarHBondContact CD1-O 3.22Å; F142-V330 HydrophobicContact CD1-CG1 4.18Å; F142-V330 HydrophobicContact CE1-CG1 3.98Å
143K69Low87.3Confident150 Ų15063.1 Ų63.165%0.65232%0.318SS*.EExtended strand (participates in β ladder)trans-64.8151.7-166.2-65.1-173.6-179.2-178.70112.3H141H141-K143 HydrophobicContact CB-CG 3.69Å; H141-K143 PolarHBondContact O-N 3.01Å
144S73.1Confident87.2Confident114 Ų11465 Ų6580%0.79733%0.33SS*.EExtended strand (participates in β ladder)trans65.932.2169.3-50.80000116.2
145R87.6Confident87.3Confident125 Ų12570.5 Ų70.547%0.47235%0.354SS..EExtended strand (participates in β ladder)trans56.459.2178.5-49.4174.3179.5179.7-1.2111.2Y266 T329 Q331R145-Y266 HydrophobicContact CG-CE2 4.14Å; R145-T329 CarbonylContact C-O 3.55Å; R145-T329 VanDerWaalsContact CA-O 3.29Å; R145-T329 WeakPolarHBondContact CA-O 3.49Å; R145-T329 WeakPolarHBondContact CA-OG1 3.22Å; R145-T329 PolarHBondContact N-OG1 3.45Å; R145-Q331 HydrophobicContact CB-CG 3.84Å; R145-Q331 VanDerWaalsContact O-CD 3.32Å; R145-Q331 WeakPolarHBondContact O-CG 3.23Å
146G90.4Very high87.4Confident6 Ų671.5 Ų71.56%0.06236%0.359CS..EExtended strand (participates in β ladder)trans-63.4169.1-172.200000114T150 T329 V330 Q331G146-T150 VanDerWaalsContact CA-OG1 3.23Å; G146-T150 WeakPolarHBondContact CA-OG1 3.36Å; G146-T329 PolarHBondContact N-O 2.96Å; G146-T329 VanDerWaalsContact N-O 3.13Å; G146-V330 CarbonylContact O-C 3.57Å; G146-V330 WeakPolarHBondContact O-CA 3.23Å; G146-Q331 PolarHBondContact O-N 2.84Å
147N94.1Very high87.7Confident29 Ų2975.3 Ų75.316%0.15538%0.382CS..  trans-127.7-166.117866.112000110.6D149 T150 D333N147-D149 PolarHBondContact O-N 3.28Å; N147-D149 PolarHBondContact OD1-N 3.04Å; N147-D149 VanDerWaalsContact OD1-N 3.1Å; N147-T150 PolarHBondContact N-OG1 3.12Å; N147-T150 WeakPolarHBondContact O-CB 3.35Å; N147-T150 PolarHBondContact O-N 2.67Å; N147-T150 VanDerWaalsContact O-N 3.13Å; N147-T150 PolarHBondContact O-OG1 2.94Å; N147-T150 PolarHBondContact OD1-N 3.35Å; N147-D333 VanDerWaalsContact CB-OD1 3.26Å; N147-D333 WeakPolarHBondContact CB-OD1 3.34Å; N147-D333 PolarHBondContact ND2-OD1 2.77Å
148E94.8Very high88.1Confident31 Ų3173.2 Ų73.215%0.14537%0.369CS..THydrogen-bonded Turntrans-65-19.4-176.4-61.382.4179.700114.2A257 F258 F259 K334E148-A257 WeakPolarHBondContact CG-O 3.48Å; E148-F258 WeakPolarHBondContact OE1-CA 3.45Å; E148-F259 HydrophobicContact CG-CD2 4.02Å; E148-F259 HydrophobicContact CG-CE2 4.39Å; E148-F259 PolarHBondContact OE1-N 3.47Å; E148-K334 HydrophobicContact CB-CD 4.06Å; E148-K334 HydrophobicContact CG-CD 3.88Å; E148-K334 WeakPolarHBondContact OE2-CB 3.38Å; E148-K334 WeakPolarHBondContact OE2-CD 3.23Å
149D91.8Very high88.6Confident123 Ų12369.6 Ų69.666%0.65836%0.356SS*.THydrogen-bonded Turntrans-90.9-10.4178.2-60.4-45.6000112.5N147 K151N147-D149 PolarHBondContact O-N 3.28Å; N147-D149 PolarHBondContact OD1-N 3.04Å; N147-D149 VanDerWaalsContact OD1-N 3.1Å; D149-K151 PolarHBondContact O-N 3.44Å; D149-K151 VanDerWaalsContact O-N 3.16Å
150T91.9Very high89.3Confident53 Ų5368.9 Ų68.933%0.32535%0.345SS..  trans-65116.6179.6-63.80000110.5F142 G146 N147 Y152F142-T150 HydrophobicContact CD2-CG2 4.29Å; F142-T150 HydrophobicContact CE1-CG2 4.25Å; F142-T150 HydrophobicContact CE2-CG2 3.72Å; F142-T150 HydrophobicContact CZ-CG2 3.7Å; G146-T150 VanDerWaalsContact CA-OG1 3.23Å; G146-T150 WeakPolarHBondContact CA-OG1 3.36Å; N147-T150 PolarHBondContact N-OG1 3.12Å; N147-T150 WeakPolarHBondContact O-CB 3.35Å; N147-T150 PolarHBondContact O-N 2.67Å; N147-T150 VanDerWaalsContact O-N 3.13Å; N147-T150 PolarHBondContact O-OG1 2.94Å; N147-T150 PolarHBondContact OD1-N 3.35Å; T150-Y152 PolarHBondContact O-N 3.37Å
151K89.9Confident89.7Confident207 Ų20765.9 Ų65.990%0.933%0.329SS*.  trans-67.3122.5174.5-65.7-175.4-178.3179.20110.1D149D149-K151 PolarHBondContact O-N 3.44Å; D149-K151 VanDerWaalsContact O-N 3.16Å
152Y89.4Confident90.2Very high37 Ų3766.8 Ų66.815%0.14533%0.332CS..  trans-144.6131.8179.5-171.8-109.9000110.2I133 N136 D140 F142 T150 V154 F328I133-Y152 HydrophobicContact CG2-CD1 3.65Å; I133-Y152 HydrophobicContact CG2-CE1 4.44Å; I133-Y152 HydrophobicContact CG2-CG 4.3Å; I133-Y152 VanDerWaalsContact O-CD1 3.31Å; I133-Y152 WeakPolarHBondContact O-CD1 3.48Å; I133-Y152 WeakPolarHBondContact O-CE1 3.28Å; N136-Y152 WeakPolarHBondContact ND2-CE1 3.48Å; D140-Y152 HydrophobicContact CB-CE2 3.93Å; D140-Y152 WeakPolarHBondContact O-CE2 3.46Å; D140-Y152 PolarHBondContact O-OH 3.14Å; F142-Y152 HydrophobicContact CB-CE2 4.35Å; F142-Y152 HydrophobicContact CD2-CD1 4.07Å; F142-Y152 AromaticContact CD2-CD2 3.55Å; F142-Y152 HydrophobicContact CD2-CD2 3.55Å; F142-Y152 HydrophobicContact CD2-CE1 4.5Å; F142-Y152 HydrophobicContact CD2-CE2 4.05Å; F142-Y152 AromaticContact CD2-CG 3.55Å; F142-Y152 HydrophobicContact CD2-CG 3.55Å; F142-Y152 HydrophobicContact CE2-CD1 4.41Å; F142-Y152 HydrophobicContact CE2-CD2 4.28Å; F142-Y152 AromaticContact CE2-CG 3.88Å; F142-Y152 HydrophobicContact CE2-CG 3.88Å; T150-Y152 PolarHBondContact O-N 3.37Å; Y152-V154 HydrophobicContact CD1-CG2 4.45Å; Y152-V154 PolarHBondContact O-N 2.62Å; Y152-F328 HydrophobicContact CE1-CE2 4.43Å
153E90.1Very high90.7Very high113 Ų11366.7 Ų66.753%0.52833%0.331SS..  trans-79.8111.7178.3-170.1-172.4158.600109.7N136 K138N136-E153 PolarHBondContact ND2-O 3.25Å; K138-E153 IonicContact NZ-OE2 2.85Å; K138-E153 PolarHBondContact NZ-OE2 2.68Å
154V91.7Very high92.1Very high68 Ų6859.8 Ų59.841%0.41230%0.301SS..  trans-86.4115.8-176.2-177.90000110.5V132 I133 Y152V132-V154 VanDerWaalsContact O-CG1 3.26Å; V132-V154 WeakPolarHBondContact O-CG1 3.22Å; I133-V154 HydrophobicContact CD1-CG2 4.28Å; I133-V154 HydrophobicContact CG2-CG2 4.35Å; Y152-V154 HydrophobicContact CD1-CG2 4.45Å; Y152-V154 PolarHBondContact O-N 2.62Å
155K91.5Very high93.3Very high116 Ų11656 Ų5650%0.50428%0.277SS..  trans-136.894176.8-169.8176.2-176.81750112.5N136 V137N136-K155 WeakPolarHBondContact CB-O 3.39Å; N136-K155 PolarHBondContact ND2-N 2.92Å; V137-K155 HydrophobicContact CG2-CD 4.42Å; V137-K155 HydrophobicContact CG2-CG 4.18Å; V137-K155 WeakPolarHBondContact CG2-O 3.45Å; V137-K155 PolarHBondContact N-O 3.28Å
156H90.4Very high93.8Very high21 Ų2155 Ų5510%0.09728%0.276CS..  trans-101.8146.4173.8-65.1-82.8000112.2E131 P135 P161 K162 Y319E131-H156 PolarHBondContact O-CE1 3.29Å; E131-H156 PolarHBondContact O-NE2 3.31Å; P135-H156 PolarHBondContact O-CE1 2.88Å; H156-P161 HydrophobicContact CB-CB 3.6Å; H156-P161 HydrophobicContact CB-CG 4.1Å; H156-P161 WeakPolarHBondContact ND1-CB 3.39Å; H156-K162 HydrophobicContact CB-CG 4.38Å; H156-K162 WeakPolarHBondContact O-CE 3.39Å; H156-K162 PolarHBondContact O-NZ 2.67Å; H156-Y319 AromaticContact ND1-CZ 3.98Å; H156-Y319 PolarHBondContact ND1-OH 2.69Å
157T90.5Very high94.2Very high80 Ų8054.7 Ų54.749%0.49127%0.273SS..  trans-97.8-33.3169.650.10000111.6V137 K162 Y319V137-T157 HydrophobicContact CG1-CG2 4.2Å; V137-T157 HydrophobicContact CG2-CG2 4.26Å; T157-K162 PolarHBondContact O-NZ 2.96Å; T157-K162 VanDerWaalsContact O-NZ 3.1Å; T157-Y319 WeakPolarHBondContact OG1-CD2 3.02Å
158M93.6Very high94.4Very high5 Ų553.8 Ų53.83%0.02527%0.268CS..SBendtrans-74.5153.1-174.2-59.9-55-68.800113.7V92 H94 P161 K162 Y319V92-M158 VanDerWaalsContact C-CE 3.41Å; V92-M158 VanDerWaalsContact O-CE 3.28Å; V92-M158 WeakPolarHBondContact O-CE 3.07Å; H94-M158 WeakPolarHBondContact CE1-CE 3.44Å; H94-M158 PolarHBondContact CE1-SD 2.92Å; H94-M158 WeakPolarHBondContact NE2-CE 3.49Å; H94-M158 PolarHBondContact NE2-SD 2.93Å; H94-M158 VanDerWaalsContact NE2-SD 3.41Å; M158-P161 HydrophobicContact CB-CG 4.14Å; M158-K162 WeakPolarHBondContact O-CD 3.4Å; M158-K162 WeakPolarHBondContact O-CG 3.1Å; M158-Y319 HydrophobicContact CB-CD2 4.45Å; M158-Y319 HydrophobicContact CB-CE1 4.33Å; M158-Y319 HydrophobicContact CB-CE2 4.18Å; M158-Y319 HydrophobicContact CG-CD1 3.49Å; M158-Y319 VanDerWaalsContact CG-CD1 3.49Å; M158-Y319 HydrophobicContact CG-CD2 3.42Å; M158-Y319 VanDerWaalsContact CG-CD2 3.42Å; M158-Y319 HydrophobicContact CG-CE1 3.67Å; M158-Y319 HydrophobicContact CG-CE2 3.59Å; M158-Y319 HydrophobicContact CG-CG 3.37Å; M158-Y319 HydrophobicContact SD-CD2 4.48Å; M158-Y319 HydrophobicContact SD-CG 4.19Å
159A95.8Very high94.6Very high17 Ų1755.3 Ų55.314%0.1428%0.277CS..Hα-helixtrans-70-40-177.200000112.7A98 I101 Y102 K162 S163A98-A159 HydrophobicContact CB-CB 3.77Å; I101-A159 HydrophobicContact CD1-CB 3.92Å; I101-A159 HydrophobicContact CG2-CB 4.36Å; Y102-A159 HydrophobicContact CE2-CB 4.25Å; A159-K162 PolarHBondContact O-N 3.21Å; A159-S163 WeakPolarHBondContact O-CB 3.39Å; A159-S163 PolarHBondContact O-N 3.32Å; A159-S163 PolarHBondContact O-OG 3.21Å
160Y96.6Very high94.9Very high15 Ų1551.2 Ų51.26%0.05926%0.255CS..Hα-helixtrans-59.3-55-178.4167.3-106.9000113.8L89 V90 D91 V92 S129 E131 K162 S163 K164L89-Y160 WeakPolarHBondContact O-CD2 3.44Å; V90-Y160 HydrophobicContact CB-CD2 4.39Å; V90-Y160 HydrophobicContact CB-CE2 4.05Å; V90-Y160 HydrophobicContact CG1-CD1 4.27Å; V90-Y160 HydrophobicContact CG1-CD2 4.4Å; V90-Y160 HydrophobicContact CG1-CE1 3.93Å; V90-Y160 HydrophobicContact CG1-CE2 4.05Å; V90-Y160 HydrophobicContact CG1-CG 4.49Å; V90-Y160 HydrophobicContact CG2-CD2 4.44Å; V90-Y160 HydrophobicContact CG2-CE2 3.68Å; D91-Y160 VanDerWaalsContact O-CB 3.26Å; D91-Y160 WeakPolarHBondContact O-CB 3.46Å; V92-Y160 HydrophobicContact CG1-CD1 3.98Å; S129-Y160 WeakPolarHBondContact CB-OH 3.37Å; E131-Y160 HydrophobicContact CB-CE1 4.33Å; Y160-K162 VanDerWaalsContact C-N 3.28Å; Y160-K162 PolarHBondContact O-N 2.95Å; Y160-S163 PolarHBondContact O-N 3.19Å; Y160-S163 PolarHBondContact O-OG 3.46Å; Y160-K164 HydrophobicContact CD2-CD 4.37Å; Y160-K164 HydrophobicContact CD2-CG 3.83Å; Y160-K164 HydrophobicContact CE1-CG 4.39Å; Y160-K164 HydrophobicContact CE2-CD 3.68Å; Y160-K164 HydrophobicContact CE2-CG 3.36Å; Y160-K164 WeakPolarHBondContact O-CG 3.41Å; Y160-K164 PolarHBondContact O-N 2.78Å
161P96.2Very high95.3Very high0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-54.5-44176.3-2733.4000113.2E131 H156 M158 K164 A165 Y319E131-P161 HydrophobicContact CB-CB 4.39Å; E131-P161 HydrophobicContact CB-CG 4.33Å; E131-P161 WeakPolarHBondContact O-CB 3.38Å; E131-P161 WeakPolarHBondContact OE2-CG 3.42Å; H156-P161 HydrophobicContact CB-CB 3.6Å; H156-P161 HydrophobicContact CB-CG 4.1Å; H156-P161 WeakPolarHBondContact ND1-CB 3.39Å; M158-P161 HydrophobicContact CB-CG 4.14Å; P161-K164 PolarHBondContact O-N 3.42Å; P161-A165 WeakPolarHBondContact O-CB 3.28Å; P161-A165 PolarHBondContact O-N 3.27Å; P161-Y319 WeakPolarHBondContact CG-OH 3.36Å
162K97.3Very high95.7Very high90 Ų9040.9 Ų40.939%0.39121%0.207SC..Hα-helixtrans-65.9-41.3-179.7-67.8175.7179.3170.50112.1Y102 H156 T157 M158 A159 Y160 A165 K166Y102-K162 VanDerWaalsContact OH-CB 3.22Å; Y102-K162 WeakPolarHBondContact OH-CB 3.33Å; H156-K162 HydrophobicContact CB-CG 4.38Å; H156-K162 WeakPolarHBondContact O-CE 3.39Å; H156-K162 PolarHBondContact O-NZ 2.67Å; T157-K162 PolarHBondContact O-NZ 2.96Å; T157-K162 VanDerWaalsContact O-NZ 3.1Å; M158-K162 WeakPolarHBondContact O-CD 3.4Å; M158-K162 WeakPolarHBondContact O-CG 3.1Å; A159-K162 PolarHBondContact O-N 3.21Å; Y160-K162 VanDerWaalsContact C-N 3.28Å; Y160-K162 PolarHBondContact O-N 2.95Å; K162-A165 PolarHBondContact O-N 2.64Å; K162-K166 WeakPolarHBondContact O-CB 3.38Å; K162-K166 PolarHBondContact O-N 2.89Å
163S98.5Very high96.1Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-68.7-40.9178.9720000111.1I101 N105 A159 Y160 K166 A167I101-S163 WeakPolarHBondContact CG2-OG 3.31Å; N105-S163 WeakPolarHBondContact CB-OG 3.43Å; N105-S163 PolarHBondContact ND2-OG 3.4Å; A159-S163 WeakPolarHBondContact O-CB 3.39Å; A159-S163 PolarHBondContact O-N 3.32Å; A159-S163 PolarHBondContact O-OG 3.21Å; Y160-S163 PolarHBondContact O-N 3.19Å; Y160-S163 PolarHBondContact O-OG 3.46Å; S163-K166 PolarHBondContact O-N 2.97Å; S163-A167 VanDerWaalsContact O-CB 3.28Å; S163-A167 WeakPolarHBondContact O-CB 3.43Å; S163-A167 PolarHBondContact O-N 2.79Å
164K98.3Very high96.5Very high5 Ų543.2 Ų43.22%0.02221%0.213CC..Hα-helixtrans-61.8-42.6173-67-59.5-64.5-178.70112.5Y126 T127 V132 Y160 P161 K166 A167 E168Y126-K164 VanDerWaalsContact CZ-NZ 3.27Å; Y126-K164 WeakPolarHBondContact OH-CE 3.39Å; Y126-K164 PolarHBondContact OH-NZ 3.48Å; T127-K164 PolarHBondContact O-NZ 3.24Å; V132-K164 HydrophobicContact CG2-CB 3.57Å; Y160-K164 HydrophobicContact CD2-CD 4.37Å; Y160-K164 HydrophobicContact CD2-CG 3.83Å; Y160-K164 HydrophobicContact CE1-CG 4.39Å; Y160-K164 HydrophobicContact CE2-CD 3.68Å; Y160-K164 HydrophobicContact CE2-CG 3.36Å; Y160-K164 WeakPolarHBondContact O-CG 3.41Å; Y160-K164 PolarHBondContact O-N 2.78Å; P161-K164 PolarHBondContact O-N 3.42Å; K164-K166 PolarHBondContact O-N 3.19Å; K164-A167 PolarHBondContact O-N 2.81Å; K164-E168 WeakPolarHBondContact O-CB 3.5Å; K164-E168 PolarHBondContact O-N 3.21Å
165A98.3Very high96.8Very high34 Ų3442.4 Ų42.428%0.28121%0.206SC..Hα-helixtrans-62.6-43.6177.300000111.7V132 P161 K162 N169V132-A165 HydrophobicContact CB-CB 4.43Å; V132-A165 HydrophobicContact CG1-CB 3.75Å; V132-A165 HydrophobicContact CG2-CB 4.38Å; P161-A165 WeakPolarHBondContact O-CB 3.28Å; P161-A165 PolarHBondContact O-N 3.27Å; K162-A165 PolarHBondContact O-N 2.64Å; A165-N169 WeakPolarHBondContact O-CB 3.49Å; A165-N169 PolarHBondContact O-N 2.68Å; A165-N169 VanDerWaalsContact O-N 3.1Å
166K98.6Very high97.1Very high104 Ų10438.2 Ų38.245%0.45220%0.196SC..Hα-helixtrans-64-45.8176.2-175.3173.2176-171.40111.5Y102 V106 K162 S163 K164 N169 I170Y102-K166 HydrophobicContact CE1-CD 4.47Å; V106-K166 HydrophobicContact CG1-CD 3.8Å; V106-K166 HydrophobicContact CG1-CG 4.01Å; V106-K166 HydrophobicContact CG2-CB 4.24Å; V106-K166 HydrophobicContact CG2-CD 4.2Å; V106-K166 HydrophobicContact CG2-CG 4.34Å; K162-K166 WeakPolarHBondContact O-CB 3.38Å; K162-K166 PolarHBondContact O-N 2.89Å; S163-K166 PolarHBondContact O-N 2.97Å; K164-K166 PolarHBondContact O-N 3.19Å; K166-N169 PolarHBondContact O-N 2.79Å; K166-I170 HydrophobicContact CG-CD1 4.02Å; K166-I170 WeakPolarHBondContact O-CD1 3.47Å; K166-I170 VanDerWaalsContact O-CG1 3.28Å; K166-I170 WeakPolarHBondContact O-CG1 3.1Å; K166-I170 PolarHBondContact O-N 2.92Å
167A98.8Very high97.5Very high0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-65.2-43.7-179.700000112.6N105 T109 Y126 S163 K164 N169 I170 V171N105-A167 WeakPolarHBondContact O-CB 3.25Å; T109-A167 HydrophobicContact CG2-CB 4.26Å; Y126-A167 HydrophobicContact CE1-CB 4.27Å; Y126-A167 WeakPolarHBondContact OH-CB 3.49Å; S163-A167 VanDerWaalsContact O-CB 3.28Å; S163-A167 WeakPolarHBondContact O-CB 3.43Å; S163-A167 PolarHBondContact O-N 2.79Å; K164-A167 PolarHBondContact O-N 2.81Å; A167-N169 VanDerWaalsContact C-N 3.31Å; A167-N169 PolarHBondContact O-N 3.38Å; A167-I170 PolarHBondContact O-N 3.37Å; A167-V171 WeakPolarHBondContact O-CG2 3.18Å; A167-V171 PolarHBondContact O-N 2.76Å
168E98.8Very high97.8Very high10 Ų1043.2 Ų43.25%0.04722%0.218CC..Hα-helixtrans-56.7-46.5173.1-173-177.586.400110.8Y126 S128 K164 I170 V171 L172 R191Y126-E168 HydrophobicContact CD1-CB 4.47Å; Y126-E168 HydrophobicContact CE1-CB 4.16Å; S128-E168 WeakPolarHBondContact CB-OE2 3.29Å; S128-E168 PolarHBondContact OG-OE2 3.38Å; K164-E168 WeakPolarHBondContact O-CB 3.5Å; K164-E168 PolarHBondContact O-N 3.21Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.45Å; E168-V171 PolarHBondContact O-N 2.82Å; E168-L172 HydrophobicContact CG-CD1 4.13Å; E168-L172 HydrophobicContact CG-CG 4.33Å; E168-L172 WeakPolarHBondContact O-CG 3.41Å; E168-L172 PolarHBondContact O-N 2.93Å; E168-R191 IonicContact OE1-CZ 2.71Å; E168-R191 IonicContact OE1-NE 2.66Å; E168-R191 PolarHBondContact OE1-NE 2.99Å; E168-R191 IonicContact OE1-NH2 3.18Å; E168-R191 PolarHBondContact OE1-NH2 2.86Å; E168-R191 WeakPolarHBondContact OE2-CG 3.39Å; E168-R191 IonicContact OE2-CZ 3.21Å; E168-R191 IonicContact OE2-NE 3.75Å; E168-R191 PolarHBondContact OE2-NE 2.59Å; E168-R191 IonicContact OE2-NH2 3.41Å
169N98.6Very high98Very high64 Ų6443.3 Ų43.334%0.34222%0.219SC..Hα-helixtrans-60.6-40177.7-175.8-102.2000113A165 K166 A167 R173A165-N169 WeakPolarHBondContact O-CB 3.49Å; A165-N169 PolarHBondContact O-N 2.68Å; A165-N169 VanDerWaalsContact O-N 3.1Å; K166-N169 PolarHBondContact O-N 2.79Å; A167-N169 VanDerWaalsContact C-N 3.31Å; A167-N169 PolarHBondContact O-N 3.38Å; N169-R173 WeakPolarHBondContact O-CB 3.5Å; N169-R173 VanDerWaalsContact O-CG 3.24Å; N169-R173 WeakPolarHBondContact O-CG 3.26Å; N169-R173 PolarHBondContact O-N 3.47Å; N169-R173 WeakPolarHBondContact OD1-CD 3.5Å; N169-R173 PolarHBondContact OD1-NE 2.72Å; N169-R173 VanDerWaalsContact OD1-NE 3.12Å; N169-R173 PolarHBondContact OD1-NH1 2.6Å
170I98.7Very high97.9Very high36 Ų3649.9 Ų49.919%0.18525%0.245CC..Hα-helixtrans-65-44.2176.4-65.4161.5000110.3V106 E110 I113 K166 A167 E168 R173 A174V106-I170 HydrophobicContact CG1-CD1 3.65Å; E110-I170 HydrophobicContact CG-CD1 4.04Å; E110-I170 HydrophobicContact CG-CG2 4.17Å; E110-I170 WeakPolarHBondContact OE1-CD1 3.39Å; I113-I170 HydrophobicContact CD1-CG2 3.62Å; K166-I170 HydrophobicContact CG-CD1 4.02Å; K166-I170 WeakPolarHBondContact O-CD1 3.47Å; K166-I170 VanDerWaalsContact O-CG1 3.28Å; K166-I170 WeakPolarHBondContact O-CG1 3.1Å; K166-I170 PolarHBondContact O-N 2.92Å; A167-I170 PolarHBondContact O-N 3.37Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.45Å; I170-R173 PolarHBondContact O-N 2.76Å; I170-A174 WeakPolarHBondContact O-CB 3.37Å; I170-A174 PolarHBondContact O-N 3.36Å
171V98.9Very high97.6Very high0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-59.2-53.2176.6171.30000110.8T109 I113 L124 Y126 A167 E168 R173 A174 N175 T187T109-V171 HydrophobicContact CG2-CG2 3.48Å; T109-V171 VanDerWaalsContact CG2-CG2 3.48Å; I113-V171 HydrophobicContact CD1-CG2 3.98Å; L124-V171 HydrophobicContact CD2-CG1 4.46Å; Y126-V171 HydrophobicContact CD1-CG2 4.07Å; Y126-V171 HydrophobicContact CD2-CG2 4.22Å; Y126-V171 HydrophobicContact CG-CG2 3.83Å; A167-V171 WeakPolarHBondContact O-CG2 3.18Å; A167-V171 PolarHBondContact O-N 2.76Å; E168-V171 PolarHBondContact O-N 2.82Å; V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 2.82Å; V171-A174 WeakPolarHBondContact O-CB 3.26Å; V171-A174 PolarHBondContact O-N 3.03Å; V171-N175 PolarHBondContact O-N 3.33Å; V171-T187 HydrophobicContact CG1-CG2 4.35Å; V171-T187 PolarHBondContact O-OG1 2.96Å; V171-T187 VanDerWaalsContact O-OG1 3.06Å
172L98.6Very high97.3Very high43 Ų4356.1 Ų56.123%0.22531%0.313CS..Hα-helixtrans-62.6-34.1-177.9-61.5-179.9000112.1E168 N175 E256 A257E168-L172 HydrophobicContact CG-CD1 4.13Å; E168-L172 HydrophobicContact CG-CG 4.33Å; E168-L172 WeakPolarHBondContact O-CG 3.41Å; E168-L172 PolarHBondContact O-N 2.93Å; L172-N175 WeakPolarHBondContact O-CB 3.48Å; L172-N175 PolarHBondContact O-N 3.16Å; L172-E256 WeakPolarHBondContact CD2-O 3.22Å; L172-A257 HydrophobicContact CD1-CB 4.4Å
173R98.6Very high97.1Very high191 Ų19156.9 Ų56.972%0.72132%0.317SS*.Hα-helixtrans-71.5-27174.3-76.9176.1173.6170.22.9113.7N169 I170 V171 N175N169-R173 WeakPolarHBondContact O-CB 3.5Å; N169-R173 VanDerWaalsContact O-CG 3.24Å; N169-R173 WeakPolarHBondContact O-CG 3.26Å; N169-R173 PolarHBondContact O-N 3.47Å; N169-R173 WeakPolarHBondContact OD1-CD 3.5Å; N169-R173 PolarHBondContact OD1-NE 2.72Å; N169-R173 VanDerWaalsContact OD1-NE 3.12Å; N169-R173 PolarHBondContact OD1-NH1 2.6Å; I170-R173 PolarHBondContact O-N 2.76Å; V171-R173 VanDerWaalsContact C-N 3.26Å; V171-R173 PolarHBondContact O-N 2.82Å; R173-N175 PolarHBondContact O-N 3.29Å
174A98.5Very high97Very high9 Ų964 Ų647%0.07434%0.344CS..Hα-helixtrans-74.5-13.2176.700000112.7I113 I170 V171 G176 S177 L185I113-A174 HydrophobicContact CD1-CB 4.08Å; I113-A174 HydrophobicContact CG1-CB 4.35Å; I113-A174 HydrophobicContact CG2-CB 3.57Å; I170-A174 WeakPolarHBondContact O-CB 3.37Å; I170-A174 PolarHBondContact O-N 3.36Å; V171-A174 WeakPolarHBondContact O-CB 3.26Å; V171-A174 PolarHBondContact O-N 3.03Å; A174-G176 PolarHBondContact O-N 2.76Å; A174-S177 VanDerWaalsContact O-CB 3.25Å; A174-S177 WeakPolarHBondContact O-CB 3.45Å; A174-S177 PolarHBondContact O-N 2.87Å; A174-S177 PolarHBondContact O-OG 2.89Å; A174-L185 HydrophobicContact CB-CD2 4.42Å
175N98.5Very high97Very high50 Ų5063.7 Ų63.727%0.26734%0.343SS..THydrogen-bonded Turntrans-53130.8173.8-16957.1000111.9V171 L172 R173 S177 T187 A254 G255V171-N175 PolarHBondContact O-N 3.33Å; L172-N175 WeakPolarHBondContact O-CB 3.48Å; L172-N175 PolarHBondContact O-N 3.16Å; R173-N175 PolarHBondContact O-N 3.29Å; N175-S177 VanDerWaalsContact C-N 3.31Å; N175-T187 WeakPolarHBondContact CB-OG1 3.49Å; N175-T187 PolarHBondContact OD1-N 2.84Å; N175-A254 WeakPolarHBondContact OD1-CB 3.49Å; N175-G255 VanDerWaalsContact CG-N 3.31Å; N175-G255 PolarHBondContact ND2-N 2.59Å; N175-G255 PolarHBondContact OD1-N 3.34Å
176G97.8Very high97Very high29 Ų2965.4 Ų65.430%0.29934%0.342SS..THydrogen-bonded Turntrans82.71-178.600000115A174 Q178 L185A174-G176 PolarHBondContact O-N 2.76Å; G176-Q178 PolarHBondContact O-N 2.87Å; G176-L185 PolarHBondContact N-O 2.87Å
177S98.1Very high97.1Very high42 Ų4260.4 Ų60.429%0.29432%0.321SS..  trans-56.2137.8173.1-63.10000110.8A174 N175 V179 R184 L185A174-S177 VanDerWaalsContact O-CB 3.25Å; A174-S177 WeakPolarHBondContact O-CB 3.45Å; A174-S177 PolarHBondContact O-N 2.87Å; A174-S177 PolarHBondContact O-OG 2.89Å; N175-S177 VanDerWaalsContact C-N 3.31Å; S177-V179 PolarHBondContact O-N 2.96Å; S177-R184 CarbonylContact O-C 3.33Å; S177-R184 WeakPolarHBondContact O-CA 3.48Å; S177-L185 PolarHBondContact O-N 3.39Å
178Q97.7Very high97.1Very high163 Ų16360.4 Ų60.476%0.76232%0.321SS*.BIsolated β-bridgetrans-69.7129.6173-69.3-175.40.400109.3V117 G176V117-Q178 WeakPolarHBondContact CG1-O 3.48Å; G176-Q178 PolarHBondContact O-N 2.87Å
179V97.1Very high97.1Very high7 Ų760 Ų604%0.04232%0.318CS..  trans-106.9159.6176.2-51.80000110.3V117 S177 G181 G182 K183 L185V117-V179 HydrophobicContact CG2-CG1 4.33Å; S177-V179 PolarHBondContact O-N 2.96Å; V179-G181 PolarHBondContact O-N 3.46Å; V179-G182 PolarHBondContact O-N 3.26Å; V179-G182 VanDerWaalsContact O-N 3.09Å; V179-K183 HydrophobicContact CG2-CB 3.81Å; V179-K183 PolarHBondContact N-O 3.43Å; V179-L185 HydrophobicContact CG1-CB 3.63Å
180K93.9Very high97.1Very high155 Ų15556.9 Ų56.967%0.67430%0.302SS*.THydrogen-bonded Turntrans-52.7133.8175.5-170.5176.2-179.3178.10110.3V117 E118 G120V117-K180 PolarHBondContact O-N 3.35Å; E118-K180 WeakPolarHBondContact O-CB 3.49Å; E118-K180 WeakPolarHBondContact O-CD 3.25Å; G120-K180 WeakPolarHBondContact CA-O 3.33Å
181G90.8Very high97.1Very high74 Ų7456.5 Ų56.576%0.76330%0.298SS*.THydrogen-bonded Turntrans92.37.4-173.300000114.9V179 K183V179-G181 PolarHBondContact O-N 3.46Å; G181-K183 VanDerWaalsContact C-N 3.32Å; G181-K183 PolarHBondContact O-N 2.82Å
182G88.8Confident97Very high72 Ų7256.6 Ų56.674%0.74230%0.299SS*.SBendtrans81.27.6169.100000115.1V179V179-G182 PolarHBondContact O-N 3.26Å; V179-G182 VanDerWaalsContact O-N 3.09Å
183K93.4Very high96.9Very high106 Ų10654.8 Ų54.846%0.46129%0.29SS..  trans-88.9-175.5176.1-57.2-171.9-175.8171.80111E122 V179 G181E122-K183 HydrophobicContact CG-CB 4.25Å; E122-K183 HydrophobicContact CG-CD 3.78Å; E122-K183 WeakPolarHBondContact OE1-CD 3.41Å; E122-K183 WeakPolarHBondContact OE1-CE 3.46Å; E122-K183 IonicContact OE1-NZ 2.66Å; E122-K183 PolarHBondContact OE1-NZ 2.96Å; E122-K183 WeakPolarHBondContact OE2-CD 3.41Å; V179-K183 HydrophobicContact CG2-CB 3.81Å; V179-K183 PolarHBondContact N-O 3.43Å; G181-K183 VanDerWaalsContact C-N 3.32Å; G181-K183 PolarHBondContact O-N 2.82Å
184R96.8Very high96.7Very high149 Ų14946.3 Ų46.356%0.56226%0.262SS*.BIsolated β-bridgetrans-120.7146.8178.3-64.9-176.9-180-163.9-1.1111.1S177 Y186S177-R184 CarbonylContact O-C 3.33Å; S177-R184 WeakPolarHBondContact O-CA 3.48Å; R184-Y186 HydrophobicContact CB-CE2 4.46Å
185L98.5Very high96.6Very high0 Ų047.6 Ų47.60%027%0.267CS..  trans-82.4117170.1-178.562.4000109.3I113 C116 V117 V121 L124 A174 G176 S177 V179 T187I113-L185 HydrophobicContact CG2-CD2 4.38Å; C116-L185 HydrophobicContact CB-CD1 4.03Å; C116-L185 HydrophobicContact CB-CD2 4.28Å; V117-L185 HydrophobicContact CG2-CD2 4.4Å; V121-L185 WeakPolarHBondContact O-CD1 3.39Å; L124-L185 HydrophobicContact CB-CD1 4.05Å; A174-L185 HydrophobicContact CB-CD2 4.42Å; G176-L185 PolarHBondContact N-O 2.87Å; S177-L185 PolarHBondContact O-N 3.39Å; V179-L185 HydrophobicContact CG1-CB 3.63Å; L185-T187 HydrophobicContact CD1-CG2 4.48Å; L185-T187 HydrophobicContact CD2-CG2 3.92Å; L185-T187 HydrophobicContact CG-CG2 3.76Å
186Y98.6Very high96.6Very high69 Ų6945.3 Ų45.327%0.27125%0.254SS..EExtended strand (participates in β ladder)trans-97.8125.7170.1-58.9-71.7000109.5E122 R123 L124 R184 P250 A254E122-Y186 PolarHBondContact O-N 3.45Å; R123-Y186 WeakPolarHBondContact CA-O 3.43Å; L124-Y186 PolarHBondContact N-O 2.67Å; R184-Y186 HydrophobicContact CB-CE2 4.46Å; Y186-P250 HydrophobicContact CD1-CB 3.75Å; Y186-P250 HydrophobicContact CE1-CB 3.74Å; Y186-P250 HydrophobicContact CE1-CG 4.43Å; Y186-P250 HydrophobicContact CG-CB 4.14Å; Y186-A254 HydrophobicContact CD1-CB 3.66Å; Y186-A254 HydrophobicContact CG-CB 4.28Å
187T98.8Very high96.5Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-122.2146.1-176.9700000111.3L124 V171 N175 L185 A254 G255L124-T187 HydrophobicContact CB-CG2 4.19Å; L124-T187 HydrophobicContact CD2-CG2 4.23Å; L124-T187 VanDerWaalsContact O-CA 3.25Å; L124-T187 WeakPolarHBondContact O-CA 3.45Å; V171-T187 HydrophobicContact CG1-CG2 4.35Å; V171-T187 PolarHBondContact O-OG1 2.96Å; V171-T187 VanDerWaalsContact O-OG1 3.06Å; N175-T187 WeakPolarHBondContact CB-OG1 3.49Å; N175-T187 PolarHBondContact OD1-N 2.84Å; L185-T187 HydrophobicContact CD1-CG2 4.48Å; L185-T187 HydrophobicContact CD2-CG2 3.92Å; L185-T187 HydrophobicContact CG-CG2 3.76Å; T187-A254 CarbonylContact O-C 3.5Å; T187-A254 WeakPolarHBondContact O-CA 3.42Å; T187-G255 PolarHBondContact O-N 3.1Å
188C98.8Very high96.4Very high0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-141.9159.9161.867.10000110.9L124 Y126 L246 V253 E256 F258L124-C188 PolarHBondContact O-N 2.85Å; L124-C188 VanDerWaalsContact O-N 3.08Å; Y126-C188 PolarHBondContact N-O 2.97Å; C188-L246 HydrophobicContact CB-CD2 4.17Å; C188-V253 HydrophobicContact CB-CG1 4Å; C188-V253 WeakPolarHBondContact CB-O 3.43Å; C188-E256 WeakPolarHBondContact CA-O 3.46Å; C188-E256 WeakPolarHBondContact CB-O 3.15Å; C188-F258 HydrophobicContact CB-CE2 4.19Å
189S98.8Very high96.2Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-118.1133.5178.3-640000111.7Y126 E256 A257 F258Y126-S189 WeakPolarHBondContact O-CA 3.46Å; S189-E256 PolarHBondContact N-O 3.42Å; S189-A257 CarbonylContact O-C 3.54Å; S189-A257 WeakPolarHBondContact O-CA 3.5Å; S189-F258 PolarHBondContact O-N 3.38Å
190L98.8Very high96.1Very high0 Ų038.9 Ų38.90%022%0.219CC..EExtended strand (participates in β ladder)trans-107.5129.5177.9-63.3-170.5000108.9V125 Y126 S128 P192 M238 H239 A242 F258V125-L190 HydrophobicContact CG1-CD1 3.8Å; V125-L190 HydrophobicContact CG1-CG 3.98Å; Y126-L190 PolarHBondContact O-N 3.09Å; S128-L190 CarbonylContact C-O 3.59Å; S128-L190 WeakPolarHBondContact CA-O 3.34Å; S128-L190 WeakPolarHBondContact CB-O 3.37Å; S128-L190 PolarHBondContact N-O 3.22Å; L190-P192 WeakPolarHBondContact O-CD 3.3Å; L190-M238 HydrophobicContact CD1-CB 4.31Å; L190-M238 HydrophobicContact CD1-CG 4.11Å; L190-M238 HydrophobicContact CD2-CE 4.18Å; L190-M238 HydrophobicContact CD2-CG 4.41Å; L190-H239 HydrophobicContact CD1-CB 4.21Å; L190-A242 HydrophobicContact CD1-CB 4.16Å; L190-A242 HydrophobicContact CD2-CB 4.29Å; L190-F258 CarbonylContact C-O 3.46Å; L190-F258 WeakPolarHBondContact CA-O 3.28Å; L190-F258 HydrophobicContact CD2-CB 3.94Å; L190-F258 HydrophobicContact CD2-CD2 4.09Å; L190-F258 HydrophobicContact CD2-CG 4.4Å
191R98.4Very high95.9Very high27 Ų2737.4 Ų37.410%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-110.879.5-177.9-64.7173.7-178.7161.3-2.9109.7E168 T193 F258 F259 C260E168-R191 IonicContact OE1-CZ 2.71Å; E168-R191 IonicContact OE1-NE 2.66Å; E168-R191 PolarHBondContact OE1-NE 2.99Å; E168-R191 IonicContact OE1-NH2 3.18Å; E168-R191 PolarHBondContact OE1-NH2 2.86Å; E168-R191 WeakPolarHBondContact OE2-CG 3.39Å; E168-R191 IonicContact OE2-CZ 3.21Å; E168-R191 IonicContact OE2-NE 3.75Å; E168-R191 PolarHBondContact OE2-NE 2.59Å; E168-R191 IonicContact OE2-NH2 3.41Å; R191-T193 PolarHBondContact O-N 2.9Å; R191-F258 PolarHBondContact N-O 3.3Å; R191-F259 HydrophobicContact CB-CD1 3.81Å; R191-F259 HydrophobicContact CB-CE1 4.19Å; R191-F259 WeakPolarHBondContact O-CA 3.38Å; R191-C260 PolarHBondContact O-N 3.38Å
192P98.1Very high95.9Very high3 Ų335.9 Ų35.92%0.01919%0.189CC..EExtended strand (participates in β ladder)trans-54.9139.6171-23.432.1000111.2T127 M130 L190 I195 V230 V235 C260T127-P192 HydrophobicContact CG2-CG 4.21Å; M130-P192 PolarHBondContact N-O 3.4Å; L190-P192 WeakPolarHBondContact O-CD 3.3Å; P192-I195 HydrophobicContact CB-CD1 3.65Å; P192-I195 HydrophobicContact CB-CG1 3.63Å; P192-I195 HydrophobicContact CG-CD1 4.01Å; P192-V230 HydrophobicContact CB-CG1 3.99Å; P192-V235 HydrophobicContact CB-CG1 4.23Å; P192-V235 HydrophobicContact CB-CG2 3.95Å; P192-V235 HydrophobicContact CG-CG1 3.57Å; P192-V235 HydrophobicContact CG-CG2 4.21Å; P192-C260 HydrophobicContact CB-CB 4.39Å; P192-C260 HydrophobicContact CG-CB 4.44Å
193T95.4Very high96Very high5 Ų532.7 Ų32.73%0.03116%0.155CC..  trans-70.9-166.2162.263.90000110M130 R191 I195 G228 R229 V230 C260 V330M130-T193 HydrophobicContact SD-CG2 4.16Å; R191-T193 PolarHBondContact O-N 2.9Å; T193-I195 WeakPolarHBondContact O-CG1 3.44Å; T193-I195 PolarHBondContact O-N 3.3Å; T193-G228 VanDerWaalsContact CB-O 3.26Å; T193-G228 WeakPolarHBondContact CB-O 3.22Å; T193-G228 PolarHBondContact OG1-O 3.04Å; T193-R229 WeakPolarHBondContact OG1-CA 3.3Å; T193-V230 WeakPolarHBondContact OG1-CB 3.25Å; T193-V230 WeakPolarHBondContact OG1-CG1 3.46Å; T193-V230 PolarHBondContact OG1-N 3.1Å; T193-C260 PolarHBondContact N-O 2.89Å; T193-C260 PolarHBondContact OG1-O 3.39Å; T193-V330 HydrophobicContact CG2-CG2 3.41Å; T193-V330 VanDerWaalsContact CG2-CG2 3.41Å
194G94.3Very high96Very high13 Ų1331.5 Ų31.513%0.13415%0.147CC..EExtended strand (participates in β ladder)trans-59.4102.5-179.200000112.1R229 V230G194-R229 WeakPolarHBondContact O-CA 3.27Å; G194-R229 WeakPolarHBondContact O-CD 3.23Å; G194-V230 PolarHBondContact O-N 2.99Å
195I97.3Very high95.7Very high35 Ų3528 Ų2818%0.17914%0.14CC..EExtended strand (participates in β ladder)trans-69.6135.3-175.3-46.8-179000110.4F19 L20 P192 T193 V230 A232 V235F19-I195 HydrophobicContact CE1-CB 3.98Å; F19-I195 HydrophobicContact CE1-CG2 3.49Å; F19-I195 VanDerWaalsContact CE1-CG2 3.49Å; F19-I195 HydrophobicContact CZ-CG2 3.89Å; L20-I195 HydrophobicContact CD2-CD1 4.28Å; P192-I195 HydrophobicContact CB-CD1 3.65Å; P192-I195 HydrophobicContact CB-CG1 3.63Å; P192-I195 HydrophobicContact CG-CD1 4.01Å; T193-I195 WeakPolarHBondContact O-CG1 3.44Å; T193-I195 PolarHBondContact O-N 3.3Å; I195-V230 CarbonylContact C-O 3.57Å; I195-V230 VanDerWaalsContact CA-O 3.25Å; I195-V230 WeakPolarHBondContact CA-O 3.45Å; I195-V230 HydrophobicContact CG1-CG1 4.11Å; I195-A232 HydrophobicContact CG2-CB 3.75Å; I195-V235 HydrophobicContact CD1-CG2 4.37Å; I195-V235 HydrophobicContact CG1-CG2 4.36Å; I195-V235 HydrophobicContact CG2-CG2 4.45Å
196Y97.6Very high95.3Very high2 Ų231.4 Ų31.41%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-132.6167.1171.474.5-81.9000111R229 V230 Y231 A232 S264 F272 L276 W347 C350 T354Y196-R229 HydrophobicContact CD1-CB 4.04Å; Y196-R229 HydrophobicContact CE1-CB 4.23Å; Y196-V230 VanDerWaalsContact CD1-C 3.46Å; Y196-V230 WeakPolarHBondContact CD1-O 3.29Å; Y196-V230 PolarHBondContact N-O 3.47Å; Y196-Y231 HydrophobicContact CD2-CD2 4.3Å; Y196-Y231 VanDerWaalsContact CE1-N 3.28Å; Y196-Y231 AromaticContact CE2-CD2 3.89Å; Y196-Y231 HydrophobicContact CE2-CD2 3.89Å; Y196-A232 PolarHBondContact O-N 3.46Å; Y196-S264 PolarHBondContact OH-OG 2.99Å; Y196-F272 AromaticContact CD1-CE1 3.78Å; Y196-F272 HydrophobicContact CD1-CE1 3.78Å; Y196-F272 AromaticContact CD1-CZ 3.71Å; Y196-F272 HydrophobicContact CD1-CZ 3.71Å; Y196-F272 HydrophobicContact CD2-CE1 4.2Å; Y196-F272 HydrophobicContact CD2-CZ 4.44Å; Y196-F272 HydrophobicContact CE1-CE1 4.12Å; Y196-F272 AromaticContact CE1-CZ 3.59Å; Y196-F272 HydrophobicContact CE1-CZ 3.59Å; Y196-F272 HydrophobicContact CE2-CZ 4.34Å; Y196-F272 AromaticContact CG-CE1 3.83Å; Y196-F272 HydrophobicContact CG-CE1 3.83Å; Y196-F272 HydrophobicContact CG-CZ 4.16Å; Y196-F272 AromaticContact CZ-CZ 3.94Å; Y196-L276 HydrophobicContact CD2-CD1 4.19Å; Y196-L276 HydrophobicContact CD2-CD2 4.07Å; Y196-L276 HydrophobicContact CE2-CD2 4.2Å; Y196-W347 HydrophobicContact CE1-CZ3 4.36Å; Y196-W347 HydrophobicContact CE2-CZ3 4.09Å; Y196-W347 AromaticContact CZ-CZ3 3.64Å; Y196-W347 WeakPolarHBondContact OH-CZ3 3.2Å; Y196-C350 HydrophobicContact CE2-CB 4.19Å; Y196-C350 WeakPolarHBondContact OH-CB 3.36Å; Y196-T354 HydrophobicContact CD2-CG2 4.43Å
197G97.2Very high95Very high1 Ų128.8 Ų28.81%0.0114%0.144CC..SBendtrans133.3-170.5179.600000113G199 H200 W357G197-G199 PolarHBondContact O-N 2.89Å; G197-H200 VanDerWaalsContact O-CB 3.25Å; G197-H200 WeakPolarHBondContact O-CB 3.23Å; G197-H200 PolarHBondContact O-N 3.35Å; G197-W357 WeakPolarHBondContact O-CZ3 3.31Å
198E96Very high94.7Very high44 Ų4431.5 Ų31.521%0.20616%0.159CC..THydrogen-bonded Turntrans-65.4127.9-173.5-54.695129.300111.9F19 H23 Y231 R353 W357F19-E198 WeakPolarHBondContact CD2-O 3.25Å; F19-E198 WeakPolarHBondContact CE2-O 3.11Å; H23-E198 IonicContact CE1-OE2 3.73Å; H23-E198 PolarHBondContact CE1-OE2 2.96Å; H23-E198 PolarHBondContact NE2-O 2.97Å; E198-Y231 PolarHBondContact OE1-OH 2.85Å; E198-Y231 WeakPolarHBondContact OE2-CE2 3.33Å; E198-Y231 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y231 PolarHBondContact OE2-OH 3.35Å; E198-R353 WeakPolarHBondContact OE1-CB 3.19Å; E198-W357 HydrophobicContact CB-CB 3.99Å; E198-W357 HydrophobicContact CB-CD2 4.15Å; E198-W357 HydrophobicContact CB-CG 3.82Å; E198-W357 HydrophobicContact CG-CB 3.46Å; E198-W357 VanDerWaalsContact CG-CB 3.46Å; E198-W357 HydrophobicContact CG-CD2 4.48Å; E198-W357 HydrophobicContact CG-CG 3.89Å
199G92.4Very high94.3Very high28 Ų2833.8 Ų33.829%0.28917%0.171SC..THydrogen-bonded Turntrans91.43.2-178.300000114.5F19 G197 Q201 W357F19-G199 VanDerWaalsContact CD2-C 3.48Å; G197-G199 PolarHBondContact O-N 2.89Å; G199-Q201 PolarHBondContact O-N 2.88Å; G199-Q201 VanDerWaalsContact O-N 3.12Å; G199-W357 VanDerWaalsContact CA-CZ2 3.44Å
200H94.4Very high93.9Very high34 Ų3433.9 Ų33.916%0.15717%0.172CC..  trans-72.4100178.8-173.6-125.8000112.5F19 G197 L202 M203 R204 W357F19-H200 AromaticContact CD1-CD2 3.95Å; F19-H200 HydrophobicContact CD2-CB 4.31Å; F19-H200 HydrophobicContact CE1-CB 4.07Å; F19-H200 AromaticContact CE1-CD2 3.65Å; F19-H200 HydrophobicContact CE2-CB 3.8Å; F19-H200 HydrophobicContact CZ-CB 3.67Å; G197-H200 VanDerWaalsContact O-CB 3.25Å; G197-H200 WeakPolarHBondContact O-CB 3.23Å; G197-H200 PolarHBondContact O-N 3.35Å; H200-L202 VanDerWaalsContact C-N 3.33Å; H200-L202 PolarHBondContact O-N 2.96Å; H200-M203 HydrophobicContact CB-CB 4.21Å; H200-M203 PolarHBondContact ND1-N 2.86Å; H200-M203 WeakPolarHBondContact O-CB 3.41Å; H200-M203 PolarHBondContact O-N 2.99Å; H200-R204 PolarHBondContact O-N 3.45Å; H200-W357 HydrophobicContact CB-CH2 4.27Å; H200-W357 HydrophobicContact CB-CZ3 4.48Å; H200-W357 VanDerWaalsContact N-CH2 3.3Å; H200-W357 WeakPolarHBondContact O-CH2 3.49Å
201Q90.9Very high93.6Very high124 Ų12435.4 Ų35.458%0.57918%0.181SC*.Hα-helixtrans-55.4-41.9-173.2-64.9-62.8-16.800114G199 M203 R204 D205G199-Q201 PolarHBondContact O-N 2.88Å; G199-Q201 VanDerWaalsContact O-N 3.12Å; Q201-M203 VanDerWaalsContact C-N 3.27Å; Q201-M203 PolarHBondContact O-N 3.16Å; Q201-R204 WeakPolarHBondContact O-CA 3.47Å; Q201-R204 WeakPolarHBondContact O-CB 3.37Å; Q201-R204 PolarHBondContact O-N 3.36Å; Q201-D205 PolarHBondContact O-N 3.48Å
202L90Very high93.2Very high42 Ų4241.4 Ų41.422%0.2221%0.21CC..Hα-helixtrans-64.7-31.4-179.8-176.166000112.4W93 H200 R204 D205 F206 L315W93-L202 HydrophobicContact CH2-CD2 4.1Å; W93-L202 HydrophobicContact CZ2-CD2 4.36Å; H200-L202 VanDerWaalsContact C-N 3.33Å; H200-L202 PolarHBondContact O-N 2.96Å; L202-R204 VanDerWaalsContact C-N 3.34Å; L202-D205 PolarHBondContact O-N 2.9Å; L202-F206 HydrophobicContact CD1-CD2 4.44Å; L202-F206 HydrophobicContact CD1-CE2 3.96Å; L202-F206 HydrophobicContact CD1-CZ 4.12Å; L202-F206 HydrophobicContact CD2-CE2 3.82Å; L202-F206 HydrophobicContact CD2-CZ 4.33Å; L202-F206 HydrophobicContact CG-CD2 3.97Å; L202-F206 HydrophobicContact CG-CE2 3.5Å; L202-F206 HydrophobicContact CG-CZ 4.13Å; L202-F206 WeakPolarHBondContact O-CD2 3.39Å; L202-F206 WeakPolarHBondContact O-CG 3.26Å; L202-F206 PolarHBondContact O-N 3.07Å; L202-L315 HydrophobicContact CD1-CD2 4.26Å
203M92.4Very high92.9Very high4 Ų446.3 Ų46.32%0.0223%0.228CC..Hα-helixtrans-66.1-38.9173.2-175.771.6-91.300111.3H200 Q201 F206 Y207 L276 L277 W357 I358H200-M203 HydrophobicContact CB-CB 4.21Å; H200-M203 PolarHBondContact ND1-N 2.86Å; H200-M203 WeakPolarHBondContact O-CB 3.41Å; H200-M203 PolarHBondContact O-N 2.99Å; Q201-M203 VanDerWaalsContact C-N 3.27Å; Q201-M203 PolarHBondContact O-N 3.16Å; M203-F206 HydrophobicContact CE-CB 3.8Å; M203-F206 HydrophobicContact CE-CD2 4.49Å; M203-F206 PolarHBondContact O-N 3.22Å; M203-Y207 PolarHBondContact O-N 2.99Å; M203-L276 HydrophobicContact SD-CB 4.45Å; M203-L276 HydrophobicContact SD-CD1 3.84Å; M203-L277 HydrophobicContact CE-CD1 3.81Å; M203-L277 HydrophobicContact CE-CD2 4.12Å; M203-L277 HydrophobicContact CE-CG 4.04Å; M203-W357 HydrophobicContact CB-CH2 4.41Å; M203-W357 HydrophobicContact CB-CZ3 4.22Å; M203-W357 HydrophobicContact CG-CZ3 4.16Å; M203-I358 HydrophobicContact CG-CD1 4.18Å
204R92.4Very high92.7Very high81 Ų8149.5 Ų49.531%0.30626%0.262SS..Hα-helixtrans-64.4-42.7174.3179.9178.7-69-130.3-3.7111.5H200 Q201 L202 F206 Y207 N208 F361H200-R204 PolarHBondContact O-N 3.45Å; Q201-R204 WeakPolarHBondContact O-CA 3.47Å; Q201-R204 WeakPolarHBondContact O-CB 3.37Å; Q201-R204 PolarHBondContact O-N 3.36Å; L202-R204 VanDerWaalsContact C-N 3.34Å; R204-F206 VanDerWaalsContact C-N 3.35Å; R204-F206 PolarHBondContact O-N 3.34Å; R204-Y207 PolarHBondContact O-N 3.22Å; R204-N208 VanDerWaalsContact O-CG 3.29Å; R204-N208 PolarHBondContact O-N 3.2Å; R204-N208 PolarHBondContact O-ND2 2.81Å; R204-F361 HydrophobicContact CB-CE2 3.96Å; R204-F361 HydrophobicContact CB-CZ 3.92Å; R204-F361 HydrophobicContact CG-CD2 4.47Å; R204-F361 HydrophobicContact CG-CE2 4.14Å; R204-F361 HydrophobicContact CG-CZ 4.24Å; R204-F361 VanDerWaalsContact NH2-CE1 3.26Å
205D90.6Very high92.5Very high76 Ų7649.2 Ų49.241%0.40626%0.26SS..Hα-helixtrans-61.2-43.6176.3-66.3-18.4000111.5Q201 L202 N208 L209Q201-D205 PolarHBondContact O-N 3.48Å; L202-D205 PolarHBondContact O-N 2.9Å; D205-N208 PolarHBondContact O-N 3.5Å; D205-L209 VanDerWaalsContact O-CB 3.29Å; D205-L209 WeakPolarHBondContact O-CB 3.31Å; D205-L209 PolarHBondContact O-N 3.12Å
206F89.9Confident92.2Very high72 Ų7251.3 Ų51.332%0.31627%0.271SS..Hα-helixtrans-63.7-40.6175.1-75.7-49.6000112.8L202 M203 R204 A210 L315L202-F206 HydrophobicContact CD1-CD2 4.44Å; L202-F206 HydrophobicContact CD1-CE2 3.96Å; L202-F206 HydrophobicContact CD1-CZ 4.12Å; L202-F206 HydrophobicContact CD2-CE2 3.82Å; L202-F206 HydrophobicContact CD2-CZ 4.33Å; L202-F206 HydrophobicContact CG-CD2 3.97Å; L202-F206 HydrophobicContact CG-CE2 3.5Å; L202-F206 HydrophobicContact CG-CZ 4.13Å; L202-F206 WeakPolarHBondContact O-CD2 3.39Å; L202-F206 WeakPolarHBondContact O-CG 3.26Å; L202-F206 PolarHBondContact O-N 3.07Å; M203-F206 HydrophobicContact CE-CB 3.8Å; M203-F206 HydrophobicContact CE-CD2 4.49Å; M203-F206 PolarHBondContact O-N 3.22Å; R204-F206 VanDerWaalsContact C-N 3.35Å; R204-F206 PolarHBondContact O-N 3.34Å; F206-A210 WeakPolarHBondContact O-CB 3.4Å; F206-A210 PolarHBondContact O-N 3.3Å; F206-L315 HydrophobicContact CE1-CD1 4.31Å
207Y92.6Very high91.8Very high13 Ų1352.4 Ų52.45%0.05128%0.278CS..Hα-helixtrans-60.5-51.9174.2175.2-85.8000111.1M203 R204 L209 A210 V211 L277 F280 F282 I358 F361M203-Y207 PolarHBondContact O-N 2.99Å; R204-Y207 PolarHBondContact O-N 3.22Å; Y207-L209 VanDerWaalsContact C-N 3.3Å; Y207-L209 PolarHBondContact O-N 2.93Å; Y207-A210 WeakPolarHBondContact O-CB 3.32Å; Y207-A210 PolarHBondContact O-N 3.2Å; Y207-A210 VanDerWaalsContact O-N 3.08Å; Y207-V211 HydrophobicContact CD1-CG2 3.98Å; Y207-V211 HydrophobicContact CE1-CG2 3.57Å; Y207-V211 HydrophobicContact CE2-CG2 4.48Å; Y207-V211 WeakPolarHBondContact O-CG2 3.37Å; Y207-V211 PolarHBondContact O-N 3.22Å; Y207-L277 HydrophobicContact CD2-CD2 3.94Å; Y207-F280 AromaticContact CE2-CD1 3.77Å; Y207-F280 HydrophobicContact CE2-CD1 3.77Å; Y207-F280 HydrophobicContact CE2-CD2 4.49Å; Y207-F280 AromaticContact CE2-CE1 3.8Å; Y207-F280 HydrophobicContact CE2-CE1 3.8Å; Y207-F280 HydrophobicContact CE2-CG 4.14Å; Y207-F280 HydrophobicContact CE2-CZ 4.22Å; Y207-F282 AromaticContact CD2-CE2 3.68Å; Y207-F282 HydrophobicContact CD2-CE2 3.68Å; Y207-F282 AromaticContact CD2-CZ 3.9Å; Y207-F282 HydrophobicContact CD2-CZ 3.9Å; Y207-F282 AromaticContact CE2-CE2 3.94Å; Y207-F282 HydrophobicContact CE2-CE2 3.94Å; Y207-F282 AromaticContact CE2-CZ 3.79Å; Y207-F282 HydrophobicContact CE2-CZ 3.79Å; Y207-F282 HydrophobicContact CG-CE2 4.44Å; Y207-I358 HydrophobicContact CD2-CG2 3.63Å; Y207-I358 HydrophobicContact CE2-CG2 3.9Å; Y207-I358 HydrophobicContact CG-CG2 4.43Å; Y207-F361 HydrophobicContact CD1-CB 4.15Å; Y207-F361 AromaticContact CD1-CD2 3.53Å; Y207-F361 HydrophobicContact CD1-CD2 3.53Å; Y207-F361 HydrophobicContact CD1-CE2 4.42Å; Y207-F361 HydrophobicContact CD1-CG 4.34Å; Y207-F361 HydrophobicContact CD2-CD2 4.03Å; Y207-F361 HydrophobicContact CE1-CB 3.77Å; Y207-F361 AromaticContact CE1-CD2 3.99Å; Y207-F361 HydrophobicContact CE1-CD2 3.99Å; Y207-F361 HydrophobicContact CE1-CG 4.42Å; Y207-F361 HydrophobicContact CE2-CD2 4.45Å; Y207-F361 AromaticContact CG-CD2 3.55Å; Y207-F361 HydrophobicContact CG-CD2 3.55Å; Y207-F361 HydrophobicContact CG-CE2 4.1Å
208N92.1Very high91.3Very high57 Ų5755.9 Ų55.931%0.30530%0.295SS..Hα-helixtrans-59.4-43.4-179.4-69.6-16.5000111.2R204 D205 A210 V211 E212R204-N208 VanDerWaalsContact O-CG 3.29Å; R204-N208 PolarHBondContact O-N 3.2Å; R204-N208 PolarHBondContact O-ND2 2.81Å; D205-N208 PolarHBondContact O-N 3.5Å; N208-A210 VanDerWaalsContact C-N 3.3Å; N208-A210 PolarHBondContact O-N 2.8Å; N208-V211 WeakPolarHBondContact O-CB 3.2Å; N208-V211 PolarHBondContact O-N 3.22Å; N208-E212 WeakPolarHBondContact O-CB 3.39Å; N208-E212 WeakPolarHBondContact O-CG 3.35Å; N208-E212 PolarHBondContact O-N 2.94Å
209L89.8Confident90.9Very high48 Ų4853.8 Ų53.825%0.25129%0.286SS..Hα-helixtrans-63.2-36.1177.2-173.263.4000112.4D205 Y207 R213D205-L209 VanDerWaalsContact O-CB 3.29Å; D205-L209 WeakPolarHBondContact O-CB 3.31Å; D205-L209 PolarHBondContact O-N 3.12Å; Y207-L209 VanDerWaalsContact C-N 3.3Å; Y207-L209 PolarHBondContact O-N 2.93Å; L209-R213 WeakPolarHBondContact O-CB 3.37Å; L209-R213 WeakPolarHBondContact O-CD 3.31Å; L209-R213 WeakPolarHBondContact O-CG 3.43Å; L209-R213 PolarHBondContact O-N 3.47Å
210A91.1Very high90.5Very high2 Ų253.1 Ų53.12%0.01728%0.279CS..Hα-helixtrans-66.9-43.4174.600000111.2F206 Y207 N208 R213 G214 G215 L216 V217 F282F206-A210 WeakPolarHBondContact O-CB 3.4Å; F206-A210 PolarHBondContact O-N 3.3Å; Y207-A210 WeakPolarHBondContact O-CB 3.32Å; Y207-A210 PolarHBondContact O-N 3.2Å; Y207-A210 VanDerWaalsContact O-N 3.08Å; N208-A210 VanDerWaalsContact C-N 3.3Å; N208-A210 PolarHBondContact O-N 2.8Å; A210-R213 CarbonylContact O-C 3.48Å; A210-R213 PolarHBondContact O-N 2.94Å; A210-G214 PolarHBondContact O-N 3.27Å; A210-G215 VanDerWaalsContact O-CA 3.26Å; A210-G215 WeakPolarHBondContact O-CA 3.46Å; A210-G215 PolarHBondContact O-N 3.39Å; A210-L216 PolarHBondContact O-N 3.36Å; A210-V217 HydrophobicContact CB-CG2 3.75Å; A210-F282 HydrophobicContact CB-CD1 4.37Å; A210-F282 HydrophobicContact CB-CD2 3.94Å; A210-F282 HydrophobicContact CB-CE1 4.2Å; A210-F282 HydrophobicContact CB-CE2 3.76Å; A210-F282 HydrophobicContact CB-CG 4.24Å; A210-F282 HydrophobicContact CB-CZ 3.9Å
211V91.9Very high90.2Very high32 Ų3252 Ų5219%0.19427%0.274CS..Hα-helixtrans-60-51.1175.3173.60000111.1Y207 N208 R213 G214 F282 D364Y207-V211 HydrophobicContact CD1-CG2 3.98Å; Y207-V211 HydrophobicContact CE1-CG2 3.57Å; Y207-V211 HydrophobicContact CE2-CG2 4.48Å; Y207-V211 WeakPolarHBondContact O-CG2 3.37Å; Y207-V211 PolarHBondContact O-N 3.22Å; N208-V211 WeakPolarHBondContact O-CB 3.2Å; N208-V211 PolarHBondContact O-N 3.22Å; V211-R213 PolarHBondContact O-N 3.26Å; V211-R213 VanDerWaalsContact O-N 3.1Å; V211-G214 PolarHBondContact O-N 3.3Å; V211-F282 HydrophobicContact CG2-CE1 4.1Å; V211-F282 HydrophobicContact CG2-CZ 3.71Å; V211-D364 HydrophobicContact CG1-CB 4.34Å; V211-D364 WeakPolarHBondContact CG1-OD2 3.32Å
212E91.3Very high89.8Confident153 Ų15349 Ų4972%0.71527%0.265SS*.Hα-helixtrans-57-28.5178-74.1172.8-171.600112.9N208 G214N208-E212 WeakPolarHBondContact O-CB 3.39Å; N208-E212 WeakPolarHBondContact O-CG 3.35Å; N208-E212 PolarHBondContact O-N 2.94Å; E212-G214 VanDerWaalsContact C-N 3.34Å
213R91.1Very high89.4Confident106 Ų10652.4 Ų52.440%0.428%0.284SS..THydrogen-bonded Turntrans-92.214.8178.2-68.2172.5176.7173.5-2.9113.7L209 A210 V211 L216L209-R213 WeakPolarHBondContact O-CB 3.37Å; L209-R213 WeakPolarHBondContact O-CD 3.31Å; L209-R213 WeakPolarHBondContact O-CG 3.43Å; L209-R213 PolarHBondContact O-N 3.47Å; A210-R213 CarbonylContact O-C 3.48Å; A210-R213 PolarHBondContact O-N 2.94Å; V211-R213 PolarHBondContact O-N 3.26Å; V211-R213 VanDerWaalsContact O-N 3.1Å; R213-L216 HydrophobicContact CB-CB 4.23Å
214G90.9Very high89.1Confident72 Ų7258.7 Ų58.774%0.74231%0.313SS*.THydrogen-bonded Turntrans69.832179.600000113.5A210 V211 E212A210-G214 PolarHBondContact O-N 3.27Å; V211-G214 PolarHBondContact O-N 3.3Å; E212-G214 VanDerWaalsContact C-N 3.34Å
215G90.8Very high89Confident8 Ų855 Ų558%0.08230%0.299CS..SBendtrans8714.4-179.600000114.8A210 F282 R283A210-G215 VanDerWaalsContact O-CA 3.26Å; A210-G215 WeakPolarHBondContact O-CA 3.46Å; A210-G215 PolarHBondContact O-N 3.39Å; G215-F282 VanDerWaalsContact CA-CD1 3.47Å; G215-F282 CarbonylContact O-C 3.58Å; G215-F282 WeakPolarHBondContact O-CA 3.35Å; G215-R283 PolarHBondContact O-N 3.47Å
216L91.1Very high89.2Confident78 Ų7855 Ų5541%0.40830%0.297SS..EExtended strand (participates in β ladder)trans-95.3120.4179.5-59.3172.7000111.6A210 R213 R283 V285A210-L216 PolarHBondContact O-N 3.36Å; R213-L216 HydrophobicContact CB-CB 4.23Å; L216-R283 HydrophobicContact CD2-CB 4.4Å; L216-V285 HydrophobicContact CD2-CG2 3.76Å
217V89.5Confident89.3Confident26 Ų2651.6 Ų51.616%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-98.6119.5171.1179.30000108.2A210 M274 F282 R283 K284 V285A210-V217 HydrophobicContact CB-CG2 3.75Å; V217-M274 HydrophobicContact CB-SD 3.86Å; V217-M274 HydrophobicContact CG1-SD 4.04Å; V217-M274 HydrophobicContact CG2-SD 3.86Å; V217-F282 HydrophobicContact CG2-CB 4.19Å; V217-F282 HydrophobicContact CG2-CD2 4.43Å; V217-R283 PolarHBondContact N-O 2.77Å; V217-K284 CarbonylContact O-C 3.51Å; V217-K284 WeakPolarHBondContact O-CA 3.37Å; V217-V285 PolarHBondContact O-N 3.42Å
218I86.9Confident89.4Confident73 Ų7351 Ų5137%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-80.9124.7177.6-60.5-178.4000108.4M287I218-M287 HydrophobicContact CG2-CB 4.39Å; I218-M287 HydrophobicContact CG2-CE 4.05Å
219G87.2Confident89.5Confident1 Ų149 Ų491%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-123.7-17017000000112.7E270 V285 M287G219-E270 VanDerWaalsContact CA-OE1 3.27Å; G219-E270 WeakPolarHBondContact CA-OE1 3.39Å; G219-E270 WeakPolarHBondContact CA-OE2 3.18Å; G219-V285 PolarHBondContact N-O 2.94Å; G219-M287 WeakPolarHBondContact O-CB 3.35Å; G219-M287 PolarHBondContact O-N 3.02Å
220G84.5Confident89.9Confident14 Ų1446.7 Ų46.714%0.14426%0.256CS..  trans154.43174.800000114.7E270 M287G220-E270 VanDerWaalsContact N-CD 3.26Å; G220-E270 PolarHBondContact N-OE1 3.47Å; G220-E270 PolarHBondContact N-OE2 2.88Å; G220-M287 WeakPolarHBondContact CA-O 3.25Å
221V86.3Confident90.3Very high9 Ų946.7 Ų46.76%0.05526%0.255CS..SBendtrans-69.6134162.21770000108.9I225 E270 A324V221-I225 HydrophobicContact CG1-CB 3.77Å; V221-I225 HydrophobicContact CG1-CG1 3.88Å; V221-I225 HydrophobicContact CG1-CG2 4.04Å; V221-E270 WeakPolarHBondContact CG2-OE1 3.16Å; V221-E270 PolarHBondContact N-OE1 3.24Å; V221-E270 VanDerWaalsContact N-OE1 3.14Å; V221-E270 PolarHBondContact N-OE2 3.24Å; V221-A324 WeakPolarHBondContact CG1-O 3.24Å; V221-A324 HydrophobicContact CG2-CB 4.02Å
222P83.6Confident90.6Very high61 Ų6145.2 Ų45.240%0.39625%0.246SC..  trans-60141.7179.3-23.933.5000113.3H224 I225P222-H224 WeakPolarHBondContact CB-CE1 3.16Å; P222-H224 WeakPolarHBondContact CB-ND1 3.46Å; P222-H224 PolarHBondContact O-N 3.36Å; P222-I225 HydrophobicContact CB-CG1 4.25Å; P222-I225 HydrophobicContact CG-CG1 4.45Å; P222-I225 WeakPolarHBondContact O-CB 3.26Å; P222-I225 WeakPolarHBondContact O-CG1 3.39Å; P222-I225 PolarHBondContact O-N 3.01Å
223D81.5Confident90.9Very high114 Ų11438 Ų3861%0.6121%0.213SC*.THydrogen-bonded Turntrans-63.2-18.8-175.7-56.5-29.2000113.9I225 K284D223-I225 VanDerWaalsContact C-N 3.26Å; D223-I225 PolarHBondContact O-N 2.81Å; D223-K284 IonicContact OD1-NZ 3.55Å; D223-K284 PolarHBondContact OD1-NZ 2.62Å
224H86.4Confident91.3Very high136 Ų13632.9 Ų32.963%0.6319%0.194SC*.THydrogen-bonded Turntrans-80.3-4.5176.269.4-91.6000113.7P222P222-H224 WeakPolarHBondContact CB-CE1 3.16Å; P222-H224 WeakPolarHBondContact CB-ND1 3.46Å; P222-H224 PolarHBondContact O-N 3.36Å
225I91Very high91.7Very high4 Ų429.5 Ų29.52%0.02116%0.158CC..  trans-82.5122.5174.6-58.3-56.5000108.9V221 P222 D223 H227 K267 S268 A324 S325V221-I225 HydrophobicContact CG1-CB 3.77Å; V221-I225 HydrophobicContact CG1-CG1 3.88Å; V221-I225 HydrophobicContact CG1-CG2 4.04Å; P222-I225 HydrophobicContact CB-CG1 4.25Å; P222-I225 HydrophobicContact CG-CG1 4.45Å; P222-I225 WeakPolarHBondContact O-CB 3.26Å; P222-I225 WeakPolarHBondContact O-CG1 3.39Å; P222-I225 PolarHBondContact O-N 3.01Å; D223-I225 VanDerWaalsContact C-N 3.26Å; D223-I225 PolarHBondContact O-N 2.81Å; I225-H227 WeakPolarHBondContact CG2-NE2 3.4Å; I225-K267 CarbonylContact O-C 3.59Å; I225-S268 VanDerWaalsContact O-CA 3.27Å; I225-S268 WeakPolarHBondContact O-CA 3.42Å; I225-S268 PolarHBondContact O-N 3.18Å; I225-A324 WeakPolarHBondContact CG2-O 3.35Å; I225-S325 VanDerWaalsContact CD1-O 3.27Å; I225-S325 WeakPolarHBondContact CD1-O 3.28Å
226E92.9Very high92.1Very high76 Ų7629.1 Ų29.136%0.35515%0.154SC..  trans-113.7135.8-176.4-67.2179.6153.200111.2T327 F328 T329E226-T327 HydrophobicContact CB-CG2 3.95Å; E226-T327 CarbonylContact O-C 3.26Å; E226-T327 VanDerWaalsContact O-CA 3.26Å; E226-T327 WeakPolarHBondContact O-CA 3.38Å; E226-T327 WeakPolarHBondContact O-CG2 3.5Å; E226-F328 PolarHBondContact O-N 2.67Å; E226-T329 HydrophobicContact CB-CG2 3.64Å
227H93.7Very high92.4Very high0 Ų027.2 Ų27.20%014%0.142CC..BIsolated β-bridgetrans-125.5137.3172.2-69.9-91.1000110.3I225 K267 Y269 V323 A324 T326 F328I225-H227 WeakPolarHBondContact CG2-NE2 3.4Å; H227-K267 PolarHBondContact N-O 3.46Å; H227-Y269 HydrophobicContact CB-CE2 4.37Å; H227-Y269 AromaticContact CD2-CD2 3.72Å; H227-Y269 AromaticContact CD2-CE2 3.77Å; H227-Y269 AromaticContact CE1-CE2 3.43Å; H227-Y269 VanDerWaalsContact CE1-CE2 3.43Å; H227-Y269 WeakPolarHBondContact CE1-CE2 3.38Å; H227-Y269 AromaticContact CG-CD2 3.92Å; H227-Y269 AromaticContact CG-CE2 3.58Å; H227-Y269 AromaticContact ND1-CE2 3.37Å; H227-Y269 WeakPolarHBondContact ND1-CE2 3.32Å; H227-Y269 AromaticContact ND1-CZ 3.87Å; H227-Y269 AromaticContact NE2-CD2 3.79Å; H227-Y269 AromaticContact NE2-CE2 3.65Å; H227-V323 PolarHBondContact CE1-O 3.04Å; H227-V323 VanDerWaalsContact CE1-O 3.24Å; H227-A324 PolarHBondContact NE2-O 3.04Å; H227-T326 PolarHBondContact CE1-O 3.38Å; H227-T326 PolarHBondContact NE2-O 2.91Å; H227-F328 WeakPolarHBondContact CA-O 3.41Å
228G93.4Very high92.9Very high0 Ų026 Ų260%013%0.134CC..  trans-71.4136.6164.900000110.7T193 F328T193-G228 VanDerWaalsContact CB-O 3.26Å; T193-G228 WeakPolarHBondContact CB-O 3.22Å; T193-G228 PolarHBondContact OG1-O 3.04Å; G228-F328 PolarHBondContact N-O 3.49Å
229R95.4Very high93.4Very high16 Ų1622.5 Ų22.56%0.0612%0.116CC..EExtended strand (participates in β ladder)trans-126157.2174.2-60.5-80.9-92.6171.8-12.5108.2T193 G194 Y196 Y261 F272 N273T193-R229 WeakPolarHBondContact OG1-CA 3.3Å; G194-R229 WeakPolarHBondContact O-CA 3.27Å; G194-R229 WeakPolarHBondContact O-CD 3.23Å; Y196-R229 HydrophobicContact CD1-CB 4.04Å; Y196-R229 HydrophobicContact CE1-CB 4.23Å; R229-Y261 VanDerWaalsContact O-CD2 3.25Å; R229-Y261 WeakPolarHBondContact O-CD2 3.31Å; R229-F272 HydrophobicContact CB-CD1 4.48Å; R229-F272 HydrophobicContact CB-CD2 4.18Å; R229-F272 HydrophobicContact CB-CE1 3.96Å; R229-F272 HydrophobicContact CB-CE2 3.63Å; R229-F272 HydrophobicContact CB-CZ 3.48Å; R229-F272 VanDerWaalsContact CB-CZ 3.48Å; R229-F272 HydrophobicContact CG-CD1 4Å; R229-F272 HydrophobicContact CG-CD2 3.78Å; R229-F272 HydrophobicContact CG-CE1 3.98Å; R229-F272 HydrophobicContact CG-CE2 3.78Å; R229-F272 HydrophobicContact CG-CG 3.87Å; R229-F272 HydrophobicContact CG-CZ 3.86Å; R229-N273 PolarHBondContact NH2-OD1 3.24Å
230V97.9Very high94Very high0 Ų022.4 Ų22.40%012%0.116CC..EExtended strand (participates in β ladder)trans-143.8136.3-178.565.30000110.6P192 T193 G194 I195 Y196 N234 V235 D262P192-V230 HydrophobicContact CB-CG1 3.99Å; T193-V230 WeakPolarHBondContact OG1-CB 3.25Å; T193-V230 WeakPolarHBondContact OG1-CG1 3.46Å; T193-V230 PolarHBondContact OG1-N 3.1Å; G194-V230 PolarHBondContact O-N 2.99Å; I195-V230 CarbonylContact C-O 3.57Å; I195-V230 VanDerWaalsContact CA-O 3.25Å; I195-V230 WeakPolarHBondContact CA-O 3.45Å; I195-V230 HydrophobicContact CG1-CG1 4.11Å; Y196-V230 VanDerWaalsContact CD1-C 3.46Å; Y196-V230 WeakPolarHBondContact CD1-O 3.29Å; Y196-V230 PolarHBondContact N-O 3.47Å; V230-N234 HydrophobicContact CG2-CB 4.49Å; V230-V235 HydrophobicContact CB-CG2 4.15Å; V230-V235 HydrophobicContact CG1-CG2 3.46Å; V230-V235 VanDerWaalsContact CG1-CG2 3.46Å; V230-V235 HydrophobicContact CG2-CG2 3.6Å; V230-D262 HydrophobicContact CG2-CB 4Å
231Y98.6Very high94.6Very high2 Ų222.9 Ų22.91%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-73.4136.9178.7-179.2-120.4000111.1Y196 E198 G233 N234 V235 D262 Y345 C350 R353Y196-Y231 HydrophobicContact CD2-CD2 4.3Å; Y196-Y231 VanDerWaalsContact CE1-N 3.28Å; Y196-Y231 AromaticContact CE2-CD2 3.89Å; Y196-Y231 HydrophobicContact CE2-CD2 3.89Å; E198-Y231 PolarHBondContact OE1-OH 2.85Å; E198-Y231 WeakPolarHBondContact OE2-CE2 3.33Å; E198-Y231 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y231 PolarHBondContact OE2-OH 3.35Å; Y231-G233 VanDerWaalsContact C-N 3.28Å; Y231-G233 PolarHBondContact O-N 3.07Å; Y231-N234 WeakPolarHBondContact O-CB 3.26Å; Y231-N234 PolarHBondContact O-N 2.95Å; Y231-V235 PolarHBondContact O-N 2.87Å; Y231-D262 VanDerWaalsContact CB-OD2 3.25Å; Y231-D262 WeakPolarHBondContact CB-OD2 3.34Å; Y231-D262 PolarHBondContact N-OD2 2.87Å; Y231-Y345 AromaticContact CD1-CD2 3.77Å; Y231-Y345 HydrophobicContact CD1-CD2 3.77Å; Y231-Y345 HydrophobicContact CD1-CG 4.38Å; Y231-Y345 AromaticContact CE1-CD2 3.52Å; Y231-Y345 HydrophobicContact CE1-CD2 3.52Å; Y231-Y345 AromaticContact CE1-CE2 3.98Å; Y231-Y345 HydrophobicContact CE1-CE2 3.98Å; Y231-Y345 HydrophobicContact CE1-CG 4.12Å; Y231-C350 WeakPolarHBondContact CB-SG 3.41Å; Y231-C350 HydrophobicContact CD1-CB 4.31Å; Y231-C350 WeakPolarHBondContact CD1-SG 3.44Å; Y231-C350 HydrophobicContact CD2-CB 4.03Å; Y231-C350 HydrophobicContact CG-CB 3.87Å; Y231-R353 WeakPolarHBondContact OH-CD 3.27Å
232A98.6Very high95.2Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-57.1-38.6-176.900000113.3F19 H23 I195 Y196 N234 V235 A236F19-A232 HydrophobicContact CE1-CB 4.32Å; F19-A232 HydrophobicContact CE2-CB 3.95Å; F19-A232 HydrophobicContact CZ-CB 3.65Å; H23-A232 HydrophobicContact CB-CB 4.23Å; H23-A232 VanDerWaalsContact CD2-CB 3.43Å; H23-A232 WeakPolarHBondContact CD2-CB 3.38Å; I195-A232 HydrophobicContact CG2-CB 3.75Å; Y196-A232 PolarHBondContact O-N 3.46Å; A232-N234 VanDerWaalsContact C-N 3.34Å; A232-N234 PolarHBondContact O-N 2.87Å; A232-V235 PolarHBondContact O-N 3.24Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.49Å
233G98.4Very high95.9Very high1 Ų119.6 Ų19.61%0.019%0.093CC..Hα-helixtrans-65.2-35.3174.900000113.2Y231 A236 W237Y231-G233 VanDerWaalsContact C-N 3.28Å; Y231-G233 PolarHBondContact O-N 3.07Å; G233-A236 PolarHBondContact O-N 3.46Å; G233-W237 WeakPolarHBondContact O-CB 3.4Å; G233-W237 PolarHBondContact O-N 2.81Å
234N98.8Very high96.7Very high0 Ų017.6 Ų17.60%08%0.077CC..Hα-helixtrans-72.5-37.1175.9-74.2-26000111.9V230 Y231 A232 A236 W237 M238 D262 L344 Y345V230-N234 HydrophobicContact CG2-CB 4.49Å; Y231-N234 WeakPolarHBondContact O-CB 3.26Å; Y231-N234 PolarHBondContact O-N 2.95Å; A232-N234 VanDerWaalsContact C-N 3.34Å; A232-N234 PolarHBondContact O-N 2.87Å; N234-A236 VanDerWaalsContact C-N 3.34Å; N234-W237 PolarHBondContact O-N 2.7Å; N234-M238 PolarHBondContact O-N 2.88Å; N234-D262 HydrophobicContact CB-CB 3.93Å; N234-D262 WeakPolarHBondContact ND2-CB 3.28Å; N234-D262 PolarHBondContact ND2-OD2 2.85Å; N234-L344 PolarHBondContact OD1-N 3.25Å; N234-Y345 PolarHBondContact ND2-O 3.06Å; N234-Y345 PolarHBondContact OD1-N 3.22Å
235V98.8Very high97.3Very high0 Ų011.4 Ų11.40%05%0.05CC..Hα-helixtrans-59.8-47.6169.4177.90000110.2L20 P192 I195 V230 Y231 A232 W237 M238 H239L20-V235 HydrophobicContact CD1-CB 3.83Å; L20-V235 HydrophobicContact CD1-CG1 3.66Å; L20-V235 HydrophobicContact CD2-CG1 3.81Å; L20-V235 HydrophobicContact CG-CG1 4.4Å; P192-V235 HydrophobicContact CB-CG1 4.23Å; P192-V235 HydrophobicContact CB-CG2 3.95Å; P192-V235 HydrophobicContact CG-CG1 3.57Å; P192-V235 HydrophobicContact CG-CG2 4.21Å; I195-V235 HydrophobicContact CD1-CG2 4.37Å; I195-V235 HydrophobicContact CG1-CG2 4.36Å; I195-V235 HydrophobicContact CG2-CG2 4.45Å; V230-V235 HydrophobicContact CB-CG2 4.15Å; V230-V235 HydrophobicContact CG1-CG2 3.46Å; V230-V235 VanDerWaalsContact CG1-CG2 3.46Å; V230-V235 HydrophobicContact CG2-CG2 3.6Å; Y231-V235 PolarHBondContact O-N 2.87Å; A232-V235 PolarHBondContact O-N 3.24Å; V235-W237 VanDerWaalsContact C-N 3.33Å; V235-W237 PolarHBondContact O-N 2.98Å; V235-M238 WeakPolarHBondContact O-CB 3.44Å; V235-M238 PolarHBondContact O-N 3.35Å; V235-H239 PolarHBondContact O-N 2.92Å; V235-H239 PolarHBondContact O-ND1 2.98Å
236A98.8Very high97.6Very high0 Ų011.2 Ų11.20%05%0.049CC..Hα-helixtrans-59.8-43.7178.400000112.1H23 L24 V27 A232 G233 N234 M238 H239 V240H23-A236 HydrophobicContact CB-CB 4.08Å; H23-A236 WeakPolarHBondContact O-CB 3.45Å; L24-A236 HydrophobicContact CD2-CB 3.88Å; L24-A236 HydrophobicContact CG-CB 4.1Å; V27-A236 HydrophobicContact CB-CB 4.01Å; V27-A236 HydrophobicContact CG2-CB 3.84Å; A232-A236 WeakPolarHBondContact O-CB 3.38Å; A232-A236 PolarHBondContact O-N 3.49Å; G233-A236 PolarHBondContact O-N 3.46Å; N234-A236 VanDerWaalsContact C-N 3.34Å; A236-M238 VanDerWaalsContact C-N 3.32Å; A236-M238 PolarHBondContact O-N 3.15Å; A236-H239 WeakPolarHBondContact O-CB 3.49Å; A236-H239 PolarHBondContact O-N 3.27Å; A236-H239 VanDerWaalsContact O-N 3.08Å; A236-V240 PolarHBondContact O-N 2.91Å
237W98.7Very high97.8Very high38 Ų3813.4 Ų13.414%0.1446%0.057CC..Hα-helixtrans-59-42.3174.5175.4-129000112.9V27 K31 G233 N234 V235 H239 V240 L241 Q342 L344V27-W237 HydrophobicContact CG1-CB 4.26Å; V27-W237 HydrophobicContact CG1-CE3 4.17Å; K31-W237 HydrophobicContact CB-CE3 4.14Å; K31-W237 HydrophobicContact CB-CZ3 3.7Å; K31-W237 HydrophobicContact CG-CE3 4.15Å; K31-W237 HydrophobicContact CG-CZ3 4.06Å; G233-W237 WeakPolarHBondContact O-CB 3.4Å; G233-W237 PolarHBondContact O-N 2.81Å; N234-W237 PolarHBondContact O-N 2.7Å; V235-W237 VanDerWaalsContact C-N 3.33Å; V235-W237 PolarHBondContact O-N 2.98Å; W237-H239 PolarHBondContact O-N 3.3Å; W237-V240 HydrophobicContact CE3-CB 4.01Å; W237-V240 HydrophobicContact CE3-CG1 4.27Å; W237-V240 HydrophobicContact CZ3-CB 4.15Å; W237-V240 HydrophobicContact CZ3-CG1 3.9Å; W237-V240 PolarHBondContact O-N 2.9Å; W237-V240 VanDerWaalsContact O-N 3.12Å; W237-L241 HydrophobicContact CD2-CD1 4.21Å; W237-L241 HydrophobicContact CD2-CG 4.06Å; W237-L241 HydrophobicContact CE3-CG 4.38Å; W237-L241 HydrophobicContact CH2-CD2 3.63Å; W237-L241 HydrophobicContact CH2-CG 4.01Å; W237-L241 HydrophobicContact CZ2-CD1 3.81Å; W237-L241 HydrophobicContact CZ2-CD2 3.5Å; W237-L241 VanDerWaalsContact CZ2-CD2 3.5Å; W237-L241 HydrophobicContact CZ2-CG 3.67Å; W237-L241 HydrophobicContact CZ3-CD2 4.31Å; W237-L241 HydrophobicContact CZ3-CG 4.34Å; W237-L241 PolarHBondContact O-N 2.66Å; W237-Q342 VanDerWaalsContact CD1-O 3.23Å; W237-Q342 PolarHBondContact NE1-O 3.43Å; W237-Q342 VanDerWaalsContact NE1-O 3.1Å; W237-L344 HydrophobicContact CB-CB 3.87Å; W237-L344 HydrophobicContact CB-CD2 4.18Å; W237-L344 HydrophobicContact CD2-CB 4.37Å; W237-L344 HydrophobicContact CG-CB 3.67Å; W237-L344 HydrophobicContact CG-CD2 4.29Å
238M98.7Very high97.9Very high0 Ų020.5 Ų20.50%09%0.092CC..Hα-helixtrans-60.4-34175.5-162.1166.9179.300112.7L190 N234 V235 A236 L241 A242 F258 F259 C260 T332 A335 F339 Y341L190-M238 HydrophobicContact CD1-CB 4.31Å; L190-M238 HydrophobicContact CD1-CG 4.11Å; L190-M238 HydrophobicContact CD2-CE 4.18Å; L190-M238 HydrophobicContact CD2-CG 4.41Å; N234-M238 PolarHBondContact O-N 2.88Å; V235-M238 WeakPolarHBondContact O-CB 3.44Å; V235-M238 PolarHBondContact O-N 3.35Å; A236-M238 VanDerWaalsContact C-N 3.32Å; A236-M238 PolarHBondContact O-N 3.15Å; M238-L241 PolarHBondContact O-N 2.92Å; M238-A242 VanDerWaalsContact O-CB 3.28Å; M238-A242 WeakPolarHBondContact O-CB 3.43Å; M238-A242 PolarHBondContact O-N 3.43Å; M238-F258 HydrophobicContact CE-CB 3.9Å; M238-F259 VanDerWaalsContact CE-O 3.3Å; M238-F259 WeakPolarHBondContact CE-O 3.4Å; M238-C260 HydrophobicContact SD-CB 3.41Å; M238-C260 WeakPolarHBondContact SD-CB 3.35Å; M238-C260 PolarHBondContact SD-SG 2.97Å; M238-T332 HydrophobicContact CE-CG2 3.94Å; M238-T332 HydrophobicContact SD-CG2 4.49Å; M238-A335 HydrophobicContact CE-CB 3.23Å; M238-F339 HydrophobicContact CE-CE2 3.92Å; M238-F339 HydrophobicContact CE-CZ 3.56Å; M238-F339 HydrophobicContact CG-CE2 3.94Å; M238-F339 HydrophobicContact CG-CZ 4.26Å; M238-Y341 HydrophobicContact CB-CD2 3.8Å; M238-Y341 HydrophobicContact CB-CE2 3.55Å; M238-Y341 HydrophobicContact CE-CG 4.45Å; M238-Y341 HydrophobicContact CG-CD2 3.6Å; M238-Y341 HydrophobicContact CG-CE2 3.78Å; M238-Y341 HydrophobicContact CG-CG 4.26Å; M238-Y341 HydrophobicContact SD-CD2 4.03Å; M238-Y341 HydrophobicContact SD-CE1 4.44Å; M238-Y341 HydrophobicContact SD-CE2 3.99Å; M238-Y341 HydrophobicContact SD-CG 4.28Å
239H98.8Very high98Very high0 Ų021.9 Ų21.90%010%0.1CC..Hα-helixtrans-66.6-41.3174.8-71.172.1000112L24 I84 V125 T127 L190 V235 A236 W237 A242 A243L24-H239 HydrophobicContact CD2-CB 3.58Å; I84-H239 HydrophobicContact CD1-CB 4.15Å; V125-H239 HydrophobicContact CG1-CB 4.41Å; T127-H239 PolarHBondContact OG1-NE2 2.98Å; L190-H239 HydrophobicContact CD1-CB 4.21Å; V235-H239 PolarHBondContact O-N 2.92Å; V235-H239 PolarHBondContact O-ND1 2.98Å; A236-H239 WeakPolarHBondContact O-CB 3.49Å; A236-H239 PolarHBondContact O-N 3.27Å; A236-H239 VanDerWaalsContact O-N 3.08Å; W237-H239 PolarHBondContact O-N 3.3Å; H239-A242 PolarHBondContact O-N 3.08Å; H239-A243 WeakPolarHBondContact O-CB 3.43Å; H239-A243 PolarHBondContact O-N 3.23Å
240V98.6Very high98Very high0 Ų022.6 Ų22.60%011%0.106CC..Hα-helixtrans-62.6-46.3175.8178.20000110.4V27 L28 A236 W237 A242 A243 R244V27-V240 HydrophobicContact CG1-CG2 4.03Å; L28-V240 HydrophobicContact CD2-CG2 3.8Å; L28-V240 HydrophobicContact CG-CG2 4.08Å; A236-V240 PolarHBondContact O-N 2.91Å; W237-V240 HydrophobicContact CE3-CB 4.01Å; W237-V240 HydrophobicContact CE3-CG1 4.27Å; W237-V240 HydrophobicContact CZ3-CB 4.15Å; W237-V240 HydrophobicContact CZ3-CG1 3.9Å; W237-V240 PolarHBondContact O-N 2.9Å; W237-V240 VanDerWaalsContact O-N 3.12Å; V240-A242 PolarHBondContact O-N 2.84Å; V240-A243 PolarHBondContact O-N 2.88Å; V240-R244 WeakPolarHBondContact O-CG 3.37Å; V240-R244 PolarHBondContact O-N 3.1Å
241L98.6Very high97.9Very high24 Ų2429.3 Ų29.313%0.12614%0.138CC..Hα-helixtrans-61.9-44176.6-72179.7000112.5W237 M238 A243 R244 A245 F339 Y341W237-L241 HydrophobicContact CD2-CD1 4.21Å; W237-L241 HydrophobicContact CD2-CG 4.06Å; W237-L241 HydrophobicContact CE3-CG 4.38Å; W237-L241 HydrophobicContact CH2-CD2 3.63Å; W237-L241 HydrophobicContact CH2-CG 4.01Å; W237-L241 HydrophobicContact CZ2-CD1 3.81Å; W237-L241 HydrophobicContact CZ2-CD2 3.5Å; W237-L241 VanDerWaalsContact CZ2-CD2 3.5Å; W237-L241 HydrophobicContact CZ2-CG 3.67Å; W237-L241 HydrophobicContact CZ3-CD2 4.31Å; W237-L241 HydrophobicContact CZ3-CG 4.34Å; W237-L241 PolarHBondContact O-N 2.66Å; M238-L241 PolarHBondContact O-N 2.92Å; L241-A243 PolarHBondContact O-N 3.49Å; L241-R244 PolarHBondContact O-N 3.45Å; L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.32Å; L241-A245 PolarHBondContact O-N 3.5Å; L241-F339 HydrophobicContact CB-CD2 3.92Å; L241-F339 HydrophobicContact CB-CE2 4.36Å; L241-Y341 HydrophobicContact CD1-CD2 3.98Å
242A98.6Very high97.8Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-62.6-42.1176.400000112V125 L190 M238 H239 V240 R244 A245 L246V125-A242 HydrophobicContact CG1-CB 4.2Å; V125-A242 HydrophobicContact CG2-CB 4.31Å; L190-A242 HydrophobicContact CD1-CB 4.16Å; L190-A242 HydrophobicContact CD2-CB 4.29Å; M238-A242 VanDerWaalsContact O-CB 3.28Å; M238-A242 WeakPolarHBondContact O-CB 3.43Å; M238-A242 PolarHBondContact O-N 3.43Å; H239-A242 PolarHBondContact O-N 3.08Å; V240-A242 PolarHBondContact O-N 2.84Å; A242-R244 VanDerWaalsContact C-N 3.32Å; A242-R244 PolarHBondContact O-N 2.9Å; A242-A245 PolarHBondContact O-N 3.21Å; A242-L246 WeakPolarHBondContact O-CG 3.18Å; A242-L246 PolarHBondContact O-N 3.23Å
243A98.4Very high97.7Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-62.9-36.2176.900000113.1Y11 V82 R123 V125 H239 V240 L241Y11-A243 HydrophobicContact CE1-CB 4.06Å; V82-A243 HydrophobicContact CG1-CB 3.89Å; R123-A243 PolarHBondContact NH1-O 3.34Å; V125-A243 HydrophobicContact CG2-CB 4Å; H239-A243 WeakPolarHBondContact O-CB 3.43Å; H239-A243 PolarHBondContact O-N 3.23Å; V240-A243 PolarHBondContact O-N 2.88Å; L241-A243 PolarHBondContact O-N 3.49Å
244R97.9Very high97.7Very high72 Ų7234.8 Ų34.827%0.27216%0.164SC..Hα-helixtrans-67.8-45.5171.8-70.4170.9-179.8-173.6-2.4111.2K31 E32 V240 L241 A242 L246 K247 M248K31-R244 PolarHBondContact O-NH2 2.99Å; E32-R244 IonicContact OE2-CZ 2.84Å; E32-R244 VanDerWaalsContact OE2-CZ 3.3Å; E32-R244 IonicContact OE2-NE 2.69Å; E32-R244 PolarHBondContact OE2-NE 2.94Å; E32-R244 IonicContact OE2-NH2 2.69Å; E32-R244 PolarHBondContact OE2-NH2 3.45Å; V240-R244 WeakPolarHBondContact O-CG 3.37Å; V240-R244 PolarHBondContact O-N 3.1Å; L241-R244 PolarHBondContact O-N 3.45Å; A242-R244 VanDerWaalsContact C-N 3.32Å; A242-R244 PolarHBondContact O-N 2.9Å; R244-L246 PolarHBondContact O-N 3.41Å; R244-K247 WeakPolarHBondContact O-CA 3.27Å; R244-K247 WeakPolarHBondContact O-CB 3.42Å; R244-K247 PolarHBondContact O-N 3.31Å; R244-M248 WeakPolarHBondContact O-CG 3.34Å; R244-M248 PolarHBondContact O-N 3.45Å
245A98.2Very high97.7Very high6 Ų635.9 Ų35.95%0.0518%0.176CC..Hα-helixtrans-67.1-36.2-177.100000112.8L241 A242 K247 M248 N249 V253 F339L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.32Å; L241-A245 PolarHBondContact O-N 3.5Å; A242-A245 PolarHBondContact O-N 3.21Å; A245-K247 PolarHBondContact O-N 3.01Å; A245-K247 VanDerWaalsContact O-N 3.1Å; A245-M248 PolarHBondContact O-N 3.22Å; A245-N249 WeakPolarHBondContact CA-OD1 3.45Å; A245-N249 VanDerWaalsContact CB-OD1 3.28Å; A245-N249 WeakPolarHBondContact CB-OD1 3.2Å; A245-N249 CarbonylContact O-C 3.36Å; A245-N249 PolarHBondContact O-N 3.15Å; A245-N249 PolarHBondContact O-OD1 3.12Å; A245-V253 HydrophobicContact CB-CB 4.43Å; A245-V253 HydrophobicContact CB-CG1 4.44Å; A245-V253 HydrophobicContact CB-CG2 3.72Å; A245-F339 HydrophobicContact CB-CB 3.43Å; A245-F339 VanDerWaalsContact CB-CB 3.43Å; A245-F339 HydrophobicContact CB-CD1 4.47Å; A245-F339 HydrophobicContact CB-CG 4.18Å
246L98.1Very high97.7Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-58.1-24.9170.9-73.3174.4000113R123 V125 C188 A242 R244 V253 A254R123-L246 HydrophobicContact CB-CD1 4.33Å; R123-L246 HydrophobicContact CG-CB 3.96Å; V125-L246 HydrophobicContact CG2-CD1 3.81Å; C188-L246 HydrophobicContact CB-CD2 4.17Å; A242-L246 WeakPolarHBondContact O-CG 3.18Å; A242-L246 PolarHBondContact O-N 3.23Å; R244-L246 PolarHBondContact O-N 3.41Å; L246-V253 HydrophobicContact CD2-CB 4.19Å; L246-V253 HydrophobicContact CD2-CG1 3.84Å; L246-V253 HydrophobicContact CG-CG1 4.12Å; L246-A254 HydrophobicContact CD2-CB 4.04Å
247K96.2Very high97.6Very high122 Ų12239.7 Ų39.753%0.5320%0.195SC..Hα-helixtrans-86.4-44.2173.2-176.3174.2178.1172.20112.3R244 A245R244-K247 WeakPolarHBondContact O-CA 3.27Å; R244-K247 WeakPolarHBondContact O-CB 3.42Å; R244-K247 PolarHBondContact O-N 3.31Å; A245-K247 PolarHBondContact O-N 3.01Å; A245-K247 VanDerWaalsContact O-N 3.1Å
248M96.4Very high97.6Very high150 Ų15037.9 Ų37.974%0.73919%0.188SC*.Hα-helixtrans-83.9-34.2-169.2-65.5-57.8-61.800113.6R244 A245R244-M248 WeakPolarHBondContact O-CG 3.34Å; R244-M248 PolarHBondContact O-N 3.45Å; A245-M248 PolarHBondContact O-N 3.22Å
249N96.1Very high97.6Very high29 Ų2938 Ų3816%0.15519%0.188CC..  trans-147.158.9-175.761.1-43000111.6A245 E251 K252 V253 Y338A245-N249 WeakPolarHBondContact CA-OD1 3.45Å; A245-N249 VanDerWaalsContact CB-OD1 3.28Å; A245-N249 WeakPolarHBondContact CB-OD1 3.2Å; A245-N249 CarbonylContact O-C 3.36Å; A245-N249 PolarHBondContact O-N 3.15Å; A245-N249 PolarHBondContact O-OD1 3.12Å; N249-E251 VanDerWaalsContact CA-OE2 3.29Å; N249-E251 WeakPolarHBondContact CA-OE2 3.25Å; N249-E251 WeakPolarHBondContact CB-OE1 3.46Å; N249-E251 PolarHBondContact O-N 3.41Å; N249-E251 VanDerWaalsContact O-N 3.16Å; N249-K252 PolarHBondContact O-N 2.65Å; N249-K252 VanDerWaalsContact O-N 3.12Å; N249-V253 PolarHBondContact O-N 2.92Å; N249-Y338 PolarHBondContact ND2-O 2.88Å
250P95.9Very high97.5Very high30 Ų3038 Ų3820%0.19519%0.188CC..Hα-helixtrans-57.2-29.9-178.123.6-33.6000113Y186 K252 V253 A254Y186-P250 HydrophobicContact CD1-CB 3.75Å; Y186-P250 HydrophobicContact CE1-CB 3.74Å; Y186-P250 HydrophobicContact CE1-CG 4.43Å; Y186-P250 HydrophobicContact CG-CB 4.14Å; P250-K252 PolarHBondContact O-N 2.71Å; P250-K252 VanDerWaalsContact O-N 3.16Å; P250-V253 PolarHBondContact O-N 3.44Å; P250-A254 HydrophobicContact CB-CB 4.32Å; P250-A254 WeakPolarHBondContact O-CB 3.26Å; P250-A254 PolarHBondContact O-N 3.41Å
251E95.5Very high97.4Very high142 Ų14238.9 Ų38.966%0.66419%0.192SC*.Hα-helixtrans-62.1-22.2179.974.3-67.2161.800114N249N249-E251 VanDerWaalsContact CA-OE2 3.29Å; N249-E251 WeakPolarHBondContact CA-OE2 3.25Å; N249-E251 WeakPolarHBondContact CB-OE1 3.46Å; N249-E251 PolarHBondContact O-N 3.41Å; N249-E251 VanDerWaalsContact O-N 3.16Å
252K95.4Very high97.3Very high101 Ų10138 Ų3844%0.43919%0.187SC..Hα-helixtrans-96.8-41.5175-64.5-174-176.5176.70112N249 P250 E256 Y338N249-K252 PolarHBondContact O-N 2.65Å; N249-K252 VanDerWaalsContact O-N 3.12Å; P250-K252 PolarHBondContact O-N 2.71Å; P250-K252 VanDerWaalsContact O-N 3.16Å; K252-E256 WeakPolarHBondContact O-CG 3.21Å; K252-Y338 HydrophobicContact CB-CD2 3.82Å; K252-Y338 HydrophobicContact CB-CE2 4.17Å; K252-Y338 HydrophobicContact CB-CG 4.28Å; K252-Y338 WeakPolarHBondContact O-CD2 3.33Å; K252-Y338 WeakPolarHBondContact O-CE2 3.48Å
253V97.7Very high97.1Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-95.4-30.5-166.7-175.80000113.2C188 A245 L246 N249 P250 G255 E256 F258 F339C188-V253 HydrophobicContact CB-CG1 4Å; C188-V253 WeakPolarHBondContact CB-O 3.43Å; A245-V253 HydrophobicContact CB-CB 4.43Å; A245-V253 HydrophobicContact CB-CG1 4.44Å; A245-V253 HydrophobicContact CB-CG2 3.72Å; L246-V253 HydrophobicContact CD2-CB 4.19Å; L246-V253 HydrophobicContact CD2-CG1 3.84Å; L246-V253 HydrophobicContact CG-CG1 4.12Å; N249-V253 PolarHBondContact O-N 2.92Å; P250-V253 PolarHBondContact O-N 3.44Å; V253-G255 PolarHBondContact O-N 3.21Å; V253-E256 WeakPolarHBondContact O-CB 3.43Å; V253-E256 PolarHBondContact O-N 2.98Å; V253-F258 HydrophobicContact CG1-CE2 3.93Å; V253-F258 HydrophobicContact CG1-CZ 4.14Å; V253-F339 HydrophobicContact CG1-CD1 4.42Å; V253-F339 HydrophobicContact CG2-CD1 3.98Å
254A97.8Very high96.9Very high17 Ų1744.8 Ų44.814%0.1422%0.219CC..THydrogen-bonded Turntrans-73.9130.6-173.300000111.4N175 Y186 T187 L246 P250 E256N175-A254 WeakPolarHBondContact OD1-CB 3.49Å; Y186-A254 HydrophobicContact CD1-CB 3.66Å; Y186-A254 HydrophobicContact CG-CB 4.28Å; T187-A254 CarbonylContact O-C 3.5Å; T187-A254 WeakPolarHBondContact O-CA 3.42Å; L246-A254 HydrophobicContact CD2-CB 4.04Å; P250-A254 HydrophobicContact CB-CB 4.32Å; P250-A254 WeakPolarHBondContact O-CB 3.26Å; P250-A254 PolarHBondContact O-N 3.41Å; A254-E256 VanDerWaalsContact C-N 3.31Å
255G98.1Very high96.8Very high23 Ų2342.9 Ų42.924%0.23722%0.216CC..THydrogen-bonded Turntrans84.13.4-176.400000114.1N175 T187 V253N175-G255 VanDerWaalsContact CG-N 3.31Å; N175-G255 PolarHBondContact ND2-N 2.59Å; N175-G255 PolarHBondContact OD1-N 3.34Å; T187-G255 PolarHBondContact O-N 3.1Å; V253-G255 PolarHBondContact O-N 3.21Å
256E98.4Very high96.6Very high72 Ų7244.2 Ų44.234%0.33622%0.22SC..  trans-104155.1-176.3-64.3-62.4145.600113.1L172 C188 S189 K252 V253 A254 F258 K334 Y338L172-E256 WeakPolarHBondContact CD2-O 3.22Å; C188-E256 WeakPolarHBondContact CA-O 3.46Å; C188-E256 WeakPolarHBondContact CB-O 3.15Å; S189-E256 PolarHBondContact N-O 3.42Å; K252-E256 WeakPolarHBondContact O-CG 3.21Å; V253-E256 WeakPolarHBondContact O-CB 3.43Å; V253-E256 PolarHBondContact O-N 2.98Å; A254-E256 VanDerWaalsContact C-N 3.31Å; E256-F258 HydrophobicContact CB-CD2 4.5Å; E256-F258 HydrophobicContact CB-CE1 4.45Å; E256-F258 HydrophobicContact CB-CE2 3.54Å; E256-F258 HydrophobicContact CB-CZ 3.51Å; E256-F258 HydrophobicContact CG-CZ 4.36Å; E256-K334 WeakPolarHBondContact OE2-CE 3.15Å; E256-K334 IonicContact OE2-NZ 3.18Å; E256-K334 PolarHBondContact OE2-NZ 3.23Å; E256-Y338 HydrophobicContact CG-CE2 4.39Å
257A98.4Very high96.3Very high8 Ų847.6 Ų47.67%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-108.3152166.500000111E148 L172 S189 K334E148-A257 WeakPolarHBondContact CG-O 3.48Å; L172-A257 HydrophobicContact CD1-CB 4.4Å; S189-A257 CarbonylContact O-C 3.54Å; S189-A257 WeakPolarHBondContact O-CA 3.5Å; A257-K334 PolarHBondContact O-NZ 3.01Å
258F98.5Very high96.1Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-141131.9-177.9-56-89.9000111.8E148 C188 S189 L190 R191 M238 V253 E256 K334 A335 Y338 F339E148-F258 WeakPolarHBondContact OE1-CA 3.45Å; C188-F258 HydrophobicContact CB-CE2 4.19Å; S189-F258 PolarHBondContact O-N 3.38Å; L190-F258 CarbonylContact C-O 3.46Å; L190-F258 WeakPolarHBondContact CA-O 3.28Å; L190-F258 HydrophobicContact CD2-CB 3.94Å; L190-F258 HydrophobicContact CD2-CD2 4.09Å; L190-F258 HydrophobicContact CD2-CG 4.4Å; R191-F258 PolarHBondContact N-O 3.3Å; M238-F258 HydrophobicContact CE-CB 3.9Å; V253-F258 HydrophobicContact CG1-CE2 3.93Å; V253-F258 HydrophobicContact CG1-CZ 4.14Å; E256-F258 HydrophobicContact CB-CD2 4.5Å; E256-F258 HydrophobicContact CB-CE1 4.45Å; E256-F258 HydrophobicContact CB-CE2 3.54Å; E256-F258 HydrophobicContact CB-CZ 3.51Å; E256-F258 HydrophobicContact CG-CZ 4.36Å; F258-K334 HydrophobicContact CD1-CB 4.27Å; F258-K334 HydrophobicContact CD1-CD 3.82Å; F258-K334 HydrophobicContact CD1-CG 3.88Å; F258-K334 HydrophobicContact CE1-CD 3.81Å; F258-K334 HydrophobicContact CE1-CG 3.75Å; F258-A335 HydrophobicContact CB-CB 4.41Å; F258-A335 HydrophobicContact CD1-CB 4.09Å; F258-Y338 AromaticContact CE1-CD2 3.64Å; F258-Y338 HydrophobicContact CE1-CD2 3.64Å; F258-Y338 HydrophobicContact CE1-CE2 4.38Å; F258-Y338 AromaticContact CE1-CG 3.95Å; F258-Y338 HydrophobicContact CE1-CG 3.95Å; F258-Y338 AromaticContact CZ-CD2 3.76Å; F258-Y338 HydrophobicContact CZ-CD2 3.76Å; F258-Y338 HydrophobicContact CZ-CE2 4.47Å; F258-Y338 HydrophobicContact CZ-CG 4.43Å; F258-F339 HydrophobicContact CB-CZ 4.5Å; F258-F339 AromaticContact CD1-CE1 3.7Å; F258-F339 HydrophobicContact CD1-CE1 3.7Å; F258-F339 HydrophobicContact CD1-CZ 4.26Å; F258-F339 AromaticContact CD2-CE1 3.99Å; F258-F339 HydrophobicContact CD2-CE1 3.99Å; F258-F339 HydrophobicContact CD2-CZ 4.47Å; F258-F339 HydrophobicContact CE1-CD1 4.36Å; F258-F339 AromaticContact CE1-CE1 3.7Å; F258-F339 HydrophobicContact CE1-CE1 3.7Å; F258-F339 HydrophobicContact CE2-CE1 4.02Å; F258-F339 AromaticContact CG-CE1 3.84Å; F258-F339 HydrophobicContact CG-CE1 3.84Å; F258-F339 HydrophobicContact CG-CZ 4.15Å; F258-F339 HydrophobicContact CZ-CD1 4.46Å; F258-F339 AromaticContact CZ-CE1 3.88Å; F258-F339 HydrophobicContact CZ-CE1 3.88Å
259F98Very high95.8Very high1 Ų137.3 Ų37.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-69.2142168.5-76.6-68.1000111.1M130 I133 F142 E148 R191 M238 F328 V330 T332M130-F259 HydrophobicContact CB-CE1 4.25Å; I133-F259 HydrophobicContact CB-CZ 4.44Å; I133-F259 HydrophobicContact CG1-CZ 4.14Å; F142-F259 HydrophobicContact CZ-CE2 4.35Å; F142-F259 HydrophobicContact CZ-CZ 4.37Å; E148-F259 HydrophobicContact CG-CD2 4.02Å; E148-F259 HydrophobicContact CG-CE2 4.39Å; E148-F259 PolarHBondContact OE1-N 3.47Å; R191-F259 HydrophobicContact CB-CD1 3.81Å; R191-F259 HydrophobicContact CB-CE1 4.19Å; R191-F259 WeakPolarHBondContact O-CA 3.38Å; M238-F259 VanDerWaalsContact CE-O 3.3Å; M238-F259 WeakPolarHBondContact CE-O 3.4Å; F259-F328 HydrophobicContact CE1-CE1 4.35Å; F259-F328 HydrophobicContact CE1-CZ 4.34Å; F259-F328 HydrophobicContact CZ-CZ 4.42Å; F259-V330 HydrophobicContact CB-CB 4.29Å; F259-V330 HydrophobicContact CB-CG2 4.01Å; F259-V330 HydrophobicContact CD1-CB 4.31Å; F259-V330 HydrophobicContact CD1-CG1 3.97Å; F259-V330 HydrophobicContact CD1-CG2 4.29Å; F259-V330 HydrophobicContact CD2-CB 4.31Å; F259-V330 HydrophobicContact CD2-CG1 4.35Å; F259-V330 HydrophobicContact CE1-CG1 4Å; F259-V330 HydrophobicContact CE2-CG1 4.37Å; F259-V330 HydrophobicContact CG-CB 4.06Å; F259-V330 HydrophobicContact CG-CG1 4.14Å; F259-V330 HydrophobicContact CG-CG2 4.18Å; F259-V330 HydrophobicContact CZ-CG1 4.2Å; F259-T332 VanDerWaalsContact O-CG2 3.28Å; F259-T332 WeakPolarHBondContact O-CG2 3.48Å
260C97.6Very high95.5Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-110.8107.2172.3-33.40000109.1R191 P192 T193 M238R191-C260 PolarHBondContact O-N 3.38Å; P192-C260 HydrophobicContact CB-CB 4.39Å; P192-C260 HydrophobicContact CG-CB 4.44Å; T193-C260 PolarHBondContact N-O 2.89Å; T193-C260 PolarHBondContact OG1-O 3.39Å; M238-C260 HydrophobicContact SD-CB 3.41Å; M238-C260 WeakPolarHBondContact SD-CB 3.35Å; M238-C260 PolarHBondContact SD-SG 2.97Å
261Y96.4Very high95.3Very high19 Ų1937.6 Ų37.68%0.07518%0.184CC..  trans-138.2143.5171.8168.8-104000108.9R229 E263 S264 Y266 V330 T332 Y341R229-Y261 VanDerWaalsContact O-CD2 3.25Å; R229-Y261 WeakPolarHBondContact O-CD2 3.31Å; Y261-E263 VanDerWaalsContact CE1-CA 3.41Å; Y261-E263 HydrophobicContact CE1-CB 4.43Å; Y261-E263 HydrophobicContact CE1-CG 4.38Å; Y261-E263 VanDerWaalsContact CE1-N 3.32Å; Y261-E263 VanDerWaalsContact CZ-CA 3.41Å; Y261-E263 WeakPolarHBondContact OH-CA 3.49Å; Y261-S264 WeakPolarHBondContact CE2-O 3.27Å; Y261-S264 PolarHBondContact OH-O 3.19Å; Y261-Y266 HydrophobicContact CD2-CE1 4.41Å; Y261-Y266 HydrophobicContact CE1-CE1 4.21Å; Y261-Y266 HydrophobicContact CE1-CE2 4.29Å; Y261-Y266 AromaticContact CE1-CZ 3.65Å; Y261-Y266 WeakPolarHBondContact CE1-OH 3.4Å; Y261-Y266 HydrophobicContact CE2-CD1 4.3Å; Y261-Y266 AromaticContact CE2-CE1 3.68Å; Y261-Y266 HydrophobicContact CE2-CE1 3.68Å; Y261-Y266 AromaticContact CE2-CZ 3.98Å; Y261-Y266 AromaticContact CZ-CE1 3.54Å; Y261-Y266 AromaticContact CZ-CE2 3.92Å; Y261-Y266 AromaticContact CZ-CZ 3.33Å; Y261-Y266 WeakPolarHBondContact OH-CE1 3.05Å; Y261-Y266 VanDerWaalsContact OH-CE2 3.26Å; Y261-Y266 WeakPolarHBondContact OH-CE2 3.22Å; Y261-V330 WeakPolarHBondContact CD1-O 3.43Å; Y261-V330 HydrophobicContact CG-CG2 4.41Å; Y261-T332 WeakPolarHBondContact CA-OG1 3.3Å; Y261-T332 WeakPolarHBondContact CB-OG1 3.19Å; Y261-T332 PolarHBondContact N-OG1 3.05Å; Y261-T332 VanDerWaalsContact N-OG1 3.1Å; Y261-T332 PolarHBondContact O-OG1 2.85Å; Y261-Y341 WeakPolarHBondContact O-CE1 3.29Å
262D95.7Very high95.3Very high5 Ų530.9 Ų30.93%0.02715%0.152CC..  trans-123.626.9-167.565.1-4.3000113.9V230 Y231 N234 S264 P343V230-D262 HydrophobicContact CG2-CB 4Å; Y231-D262 VanDerWaalsContact CB-OD2 3.25Å; Y231-D262 WeakPolarHBondContact CB-OD2 3.34Å; Y231-D262 PolarHBondContact N-OD2 2.87Å; N234-D262 HydrophobicContact CB-CB 3.93Å; N234-D262 WeakPolarHBondContact ND2-CB 3.28Å; N234-D262 PolarHBondContact ND2-OD2 2.85Å; D262-S264 PolarHBondContact O-N 2.95Å; D262-S264 VanDerWaalsContact O-N 3.16Å; D262-S264 VanDerWaalsContact OD1-CB 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.09Å; D262-S264 PolarHBondContact OD1-N 3.45Å; D262-S264 PolarHBondContact OD1-OG 2.71Å; D262-P343 HydrophobicContact CB-CB 4.05Å; D262-P343 HydrophobicContact CB-CG 3.84Å
263E93.8Very high95.2Very high143 Ų14326.7 Ų26.767%0.66814%0.135SC*.  trans67.49.3178.2-50.2-171.3153.200115Y261Y261-E263 VanDerWaalsContact CE1-CA 3.41Å; Y261-E263 HydrophobicContact CE1-CB 4.43Å; Y261-E263 HydrophobicContact CE1-CG 4.38Å; Y261-E263 VanDerWaalsContact CE1-N 3.32Å; Y261-E263 VanDerWaalsContact CZ-CA 3.41Å; Y261-E263 WeakPolarHBondContact OH-CA 3.49Å
264S95Very high95Very high0 Ų028.5 Ų28.50%014%0.144CC..  trans-53.4142.4169-65.90000112Y196 Y261 D262 Y266Y196-S264 PolarHBondContact OH-OG 2.99Å; Y261-S264 WeakPolarHBondContact CE2-O 3.27Å; Y261-S264 PolarHBondContact OH-O 3.19Å; D262-S264 PolarHBondContact O-N 2.95Å; D262-S264 VanDerWaalsContact O-N 3.16Å; D262-S264 VanDerWaalsContact OD1-CB 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.09Å; D262-S264 PolarHBondContact OD1-N 3.45Å; D262-S264 PolarHBondContact OD1-OG 2.71Å; S264-Y266 PolarHBondContact O-N 2.92Å
265P94.9Very high94.8Very high33 Ų3329.7 Ų29.721%0.21415%0.147CC..  trans-51.7129-174.4-27.433.7000114K267 W347P265-K267 HydrophobicContact CB-CD 4.33Å; P265-K267 HydrophobicContact CB-CG 4.24Å; P265-K267 PolarHBondContact O-N 3.34Å; P265-W347 VanDerWaalsContact CD-CE2 3.42Å; P265-W347 VanDerWaalsContact CD-CE3 3.45Å; P265-W347 HydrophobicContact CG-CD2 3.91Å; P265-W347 HydrophobicContact CG-CG 4.18Å; P265-W347 HydrophobicContact CG-CZ2 4.01Å
266Y93.9Very high94.6Very high34 Ų3428.7 Ų28.713%0.13314%0.136CC..  trans-68.8115.3169.6-69.1-57.9000110.1R145 Y261 S264 T329 V330R145-Y266 HydrophobicContact CG-CE2 4.14Å; Y261-Y266 HydrophobicContact CD2-CE1 4.41Å; Y261-Y266 HydrophobicContact CE1-CE1 4.21Å; Y261-Y266 HydrophobicContact CE1-CE2 4.29Å; Y261-Y266 AromaticContact CE1-CZ 3.65Å; Y261-Y266 WeakPolarHBondContact CE1-OH 3.4Å; Y261-Y266 HydrophobicContact CE2-CD1 4.3Å; Y261-Y266 AromaticContact CE2-CE1 3.68Å; Y261-Y266 HydrophobicContact CE2-CE1 3.68Å; Y261-Y266 AromaticContact CE2-CZ 3.98Å; Y261-Y266 AromaticContact CZ-CE1 3.54Å; Y261-Y266 AromaticContact CZ-CE2 3.92Å; Y261-Y266 AromaticContact CZ-CZ 3.33Å; Y261-Y266 WeakPolarHBondContact OH-CE1 3.05Å; Y261-Y266 VanDerWaalsContact OH-CE2 3.26Å; Y261-Y266 WeakPolarHBondContact OH-CE2 3.22Å; S264-Y266 PolarHBondContact O-N 2.92Å; Y266-T329 HydrophobicContact CD1-CG2 3.37Å; Y266-T329 HydrophobicContact CE1-CG2 3.63Å; Y266-T329 HydrophobicContact CG-CG2 3.95Å; Y266-V330 PolarHBondContact OH-O 3.36Å
267K93.3Very high94.3Very high71 Ų7125.3 Ų25.331%0.30912%0.12SC..BIsolated β-bridgetrans-148.9165.5-178-68.3-169.1175.2-170.10110.5I225 H227 P265 D271 F272 E275I225-K267 CarbonylContact O-C 3.59Å; H227-K267 PolarHBondContact N-O 3.46Å; P265-K267 HydrophobicContact CB-CD 4.33Å; P265-K267 HydrophobicContact CB-CG 4.24Å; P265-K267 PolarHBondContact O-N 3.34Å; K267-D271 HydrophobicContact CB-CB 4.16Å; K267-D271 HydrophobicContact CD-CB 4.23Å; K267-F272 HydrophobicContact CB-CB 4.12Å; K267-E275 WeakPolarHBondContact CD-OE2 3.3Å; K267-E275 WeakPolarHBondContact CE-OE2 3.28Å; K267-E275 IonicContact NZ-OE2 2.62Å; K267-E275 PolarHBondContact NZ-OE2 3.03Å
268S92.3Very high94Very high1 Ų128.5 Ų28.51%0.00714%0.142CC..  trans-60.1156.2164.6780000109.5I225 E270 D271 F272I225-S268 VanDerWaalsContact O-CA 3.27Å; I225-S268 WeakPolarHBondContact O-CA 3.42Å; I225-S268 PolarHBondContact O-N 3.18Å; S268-E270 PolarHBondContact O-N 3.15Å; S268-D271 PolarHBondContact O-N 2.86Å; S268-D271 WeakPolarHBondContact OG-CB 3.3Å; S268-D271 PolarHBondContact OG-N 3.18Å; S268-D271 PolarHBondContact OG-OD2 3.06Å; S268-F272 WeakPolarHBondContact O-CB 3.35Å; S268-F272 PolarHBondContact O-N 3.44Å
269Y89.6Confident93.6Very high54 Ų5433 Ų3321%0.21216%0.163CC..Hα-helixtrans-54.5-37.5175.6-80.2-78.6000112.2H227 N273 A324H227-Y269 HydrophobicContact CB-CE2 4.37Å; H227-Y269 AromaticContact CD2-CD2 3.72Å; H227-Y269 AromaticContact CD2-CE2 3.77Å; H227-Y269 AromaticContact CE1-CE2 3.43Å; H227-Y269 VanDerWaalsContact CE1-CE2 3.43Å; H227-Y269 WeakPolarHBondContact CE1-CE2 3.38Å; H227-Y269 AromaticContact CG-CD2 3.92Å; H227-Y269 AromaticContact CG-CE2 3.58Å; H227-Y269 AromaticContact ND1-CE2 3.37Å; H227-Y269 WeakPolarHBondContact ND1-CE2 3.32Å; H227-Y269 AromaticContact ND1-CZ 3.87Å; H227-Y269 AromaticContact NE2-CD2 3.79Å; H227-Y269 AromaticContact NE2-CE2 3.65Å; Y269-N273 WeakPolarHBondContact O-CB 3.48Å; Y269-N273 PolarHBondContact O-N 2.86Å; Y269-N273 VanDerWaalsContact O-N 3.08Å; Y269-N273 PolarHBondContact O-ND2 3.14Å; Y269-N273 PolarHBondContact O-OD1 3.47Å; Y269-A324 HydrophobicContact CD2-CB 4.14Å
270E89.8Confident93.2Very high30 Ų3034.9 Ų34.914%0.1417%0.171CC..Hα-helixtrans-70-49.5-177.7-61.6167.9-173.900110.9G219 G220 V221 S268 F272 N273 M274 K284G219-E270 VanDerWaalsContact CA-OE1 3.27Å; G219-E270 WeakPolarHBondContact CA-OE1 3.39Å; G219-E270 WeakPolarHBondContact CA-OE2 3.18Å; G220-E270 VanDerWaalsContact N-CD 3.26Å; G220-E270 PolarHBondContact N-OE1 3.47Å; G220-E270 PolarHBondContact N-OE2 2.88Å; V221-E270 WeakPolarHBondContact CG2-OE1 3.16Å; V221-E270 PolarHBondContact N-OE1 3.24Å; V221-E270 VanDerWaalsContact N-OE1 3.14Å; V221-E270 PolarHBondContact N-OE2 3.24Å; S268-E270 PolarHBondContact O-N 3.15Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 3.06Å; E270-N273 PolarHBondContact O-N 3.29Å; E270-M274 WeakPolarHBondContact O-CG 3.3Å; E270-M274 PolarHBondContact O-N 3.39Å; E270-K284 HydrophobicContact CB-CD 4.48Å
271D92.1Very high92.8Very high36 Ų3641.3 Ų41.319%0.19321%0.205CC..Hα-helixtrans-67.7-36.8-179.3-64.8-43.6000112.2K267 S268 M274 E275 K284K267-D271 HydrophobicContact CB-CB 4.16Å; K267-D271 HydrophobicContact CD-CB 4.23Å; S268-D271 PolarHBondContact O-N 2.86Å; S268-D271 WeakPolarHBondContact OG-CB 3.3Å; S268-D271 PolarHBondContact OG-N 3.18Å; S268-D271 PolarHBondContact OG-OD2 3.06Å; D271-M274 PolarHBondContact O-N 2.67Å; D271-E275 PolarHBondContact O-N 2.68Å; D271-K284 IonicContact OD1-NZ 3.21Å; D271-K284 PolarHBondContact OD1-NZ 3Å; D271-K284 IonicContact OD2-NZ 3.71Å
272F94.4Very high92.6Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-62.2-45.5173.3-167.5-86.6000111.2Y196 R229 K267 S268 E270 M274 E275 L276 W347Y196-F272 AromaticContact CD1-CE1 3.78Å; Y196-F272 HydrophobicContact CD1-CE1 3.78Å; Y196-F272 AromaticContact CD1-CZ 3.71Å; Y196-F272 HydrophobicContact CD1-CZ 3.71Å; Y196-F272 HydrophobicContact CD2-CE1 4.2Å; Y196-F272 HydrophobicContact CD2-CZ 4.44Å; Y196-F272 HydrophobicContact CE1-CE1 4.12Å; Y196-F272 AromaticContact CE1-CZ 3.59Å; Y196-F272 HydrophobicContact CE1-CZ 3.59Å; Y196-F272 HydrophobicContact CE2-CZ 4.34Å; Y196-F272 AromaticContact CG-CE1 3.83Å; Y196-F272 HydrophobicContact CG-CE1 3.83Å; Y196-F272 HydrophobicContact CG-CZ 4.16Å; Y196-F272 AromaticContact CZ-CZ 3.94Å; R229-F272 HydrophobicContact CB-CD1 4.48Å; R229-F272 HydrophobicContact CB-CD2 4.18Å; R229-F272 HydrophobicContact CB-CE1 3.96Å; R229-F272 HydrophobicContact CB-CE2 3.63Å; R229-F272 HydrophobicContact CB-CZ 3.48Å; R229-F272 VanDerWaalsContact CB-CZ 3.48Å; R229-F272 HydrophobicContact CG-CD1 4Å; R229-F272 HydrophobicContact CG-CD2 3.78Å; R229-F272 HydrophobicContact CG-CE1 3.98Å; R229-F272 HydrophobicContact CG-CE2 3.78Å; R229-F272 HydrophobicContact CG-CG 3.87Å; R229-F272 HydrophobicContact CG-CZ 3.86Å; K267-F272 HydrophobicContact CB-CB 4.12Å; S268-F272 WeakPolarHBondContact O-CB 3.35Å; S268-F272 PolarHBondContact O-N 3.44Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 3.06Å; F272-M274 VanDerWaalsContact C-N 3.32Å; F272-M274 PolarHBondContact O-N 3.32Å; F272-E275 WeakPolarHBondContact O-CB 3.42Å; F272-E275 PolarHBondContact O-N 2.96Å; F272-L276 HydrophobicContact CD1-CD1 4.1Å; F272-L276 HydrophobicContact CD1-CG 4.26Å; F272-L276 HydrophobicContact CE1-CD1 3.89Å; F272-L276 HydrophobicContact CE1-CD2 4.3Å; F272-L276 HydrophobicContact CE1-CG 4.11Å; F272-L276 PolarHBondContact O-N 3.27Å; F272-L276 VanDerWaalsContact O-N 3.16Å; F272-W347 HydrophobicContact CD2-CH2 4.49Å; F272-W347 HydrophobicContact CE1-CH2 4.34Å; F272-W347 AromaticContact CE2-CH2 3.65Å; F272-W347 HydrophobicContact CE2-CH2 3.65Å; F272-W347 AromaticContact CE2-CZ3 3.74Å; F272-W347 HydrophobicContact CE2-CZ3 3.74Å; F272-W347 AromaticContact CZ-CH2 3.58Å; F272-W347 HydrophobicContact CZ-CH2 3.58Å; F272-W347 AromaticContact CZ-CZ3 3.52Å; F272-W347 HydrophobicContact CZ-CZ3 3.52Å
273N93Very high92.4Very high14 Ų1449.8 Ų49.88%0.07524%0.238CC..Hα-helixtrans-64.7-37.3176.4-70.3-12.5000111.6R229 Y269 E270 E275 L276 L277R229-N273 PolarHBondContact NH2-OD1 3.24Å; Y269-N273 WeakPolarHBondContact O-CB 3.48Å; Y269-N273 PolarHBondContact O-N 2.86Å; Y269-N273 VanDerWaalsContact O-N 3.08Å; Y269-N273 PolarHBondContact O-ND2 3.14Å; Y269-N273 PolarHBondContact O-OD1 3.47Å; E270-N273 PolarHBondContact O-N 3.29Å; N273-E275 VanDerWaalsContact C-N 3.26Å; N273-E275 PolarHBondContact O-N 3.42Å; N273-L276 PolarHBondContact O-N 3.44Å; N273-L277 WeakPolarHBondContact O-CB 3.5Å; N273-L277 VanDerWaalsContact O-CG 3.24Å; N273-L277 WeakPolarHBondContact O-CG 3.34Å; N273-L277 PolarHBondContact O-N 2.9Å
274M93.2Very high92.3Very high38 Ų3845.8 Ų45.819%0.18722%0.218CC..Hα-helixtrans-63.3-32.3174.6-72.7-56.1-55.900112.3V217 E270 D271 F272 L277 S278 F282 K284V217-M274 HydrophobicContact CB-SD 3.86Å; V217-M274 HydrophobicContact CG1-SD 4.04Å; V217-M274 HydrophobicContact CG2-SD 3.86Å; E270-M274 WeakPolarHBondContact O-CG 3.3Å; E270-M274 PolarHBondContact O-N 3.39Å; D271-M274 PolarHBondContact O-N 2.67Å; F272-M274 VanDerWaalsContact C-N 3.32Å; F272-M274 PolarHBondContact O-N 3.32Å; M274-L277 CarbonylContact O-C 3.53Å; M274-L277 PolarHBondContact O-N 3.33Å; M274-S278 WeakPolarHBondContact O-CA 3.16Å; M274-S278 PolarHBondContact O-N 3.19Å; M274-F282 HydrophobicContact CE-CB 4.39Å; M274-K284 HydrophobicContact CE-CB 4.48Å; M274-K284 HydrophobicContact CG-CB 4.25Å; M274-K284 HydrophobicContact CG-CD 4.41Å; M274-K284 HydrophobicContact SD-CB 4.22Å
275E94.1Very high92.1Very high42 Ų4249.3 Ų49.320%0.19624%0.24CC..Hα-helixtrans-68.2-44.3173.9-168.1165.9178.900111.8K267 D271 F272 N273 L277 S278 W347 L351 Q355K267-E275 WeakPolarHBondContact CD-OE2 3.3Å; K267-E275 WeakPolarHBondContact CE-OE2 3.28Å; K267-E275 IonicContact NZ-OE2 2.62Å; K267-E275 PolarHBondContact NZ-OE2 3.03Å; D271-E275 PolarHBondContact O-N 2.68Å; F272-E275 WeakPolarHBondContact O-CB 3.42Å; F272-E275 PolarHBondContact O-N 2.96Å; N273-E275 VanDerWaalsContact C-N 3.26Å; N273-E275 PolarHBondContact O-N 3.42Å; E275-L277 PolarHBondContact O-N 3.32Å; E275-S278 WeakPolarHBondContact O-CB 3.48Å; E275-S278 PolarHBondContact O-N 2.99Å; E275-S278 PolarHBondContact O-OG 3.08Å; E275-W347 VanDerWaalsContact CD-CZ2 3.46Å; E275-W347 HydrophobicContact CG-CZ2 3.95Å; E275-W347 WeakPolarHBondContact OE1-CZ2 2.99Å; E275-W347 PolarHBondContact OE1-NE1 3.5Å; E275-L351 HydrophobicContact CG-CD1 4.45Å; E275-Q355 PolarHBondContact O-NE2 3.26Å
276L94.4Very high91.9Very high1 Ų151.5 Ų51.51%0.00526%0.255CS..Hα-helixtrans-60.4-32.5172.2-61.3-178.5000112.2Y196 M203 F272 N273 W347 L351 T354 Q355 I358Y196-L276 HydrophobicContact CD2-CD1 4.19Å; Y196-L276 HydrophobicContact CD2-CD2 4.07Å; Y196-L276 HydrophobicContact CE2-CD2 4.2Å; M203-L276 HydrophobicContact SD-CB 4.45Å; M203-L276 HydrophobicContact SD-CD1 3.84Å; F272-L276 HydrophobicContact CD1-CD1 4.1Å; F272-L276 HydrophobicContact CD1-CG 4.26Å; F272-L276 HydrophobicContact CE1-CD1 3.89Å; F272-L276 HydrophobicContact CE1-CD2 4.3Å; F272-L276 HydrophobicContact CE1-CG 4.11Å; F272-L276 PolarHBondContact O-N 3.27Å; F272-L276 VanDerWaalsContact O-N 3.16Å; N273-L276 PolarHBondContact O-N 3.44Å; L276-W347 HydrophobicContact CD2-CH2 4.24Å; L276-L351 HydrophobicContact CD2-CD1 3.77Å; L276-T354 HydrophobicContact CD1-CG2 4.21Å; L276-T354 HydrophobicContact CD2-CG2 3.96Å; L276-Q355 VanDerWaalsContact O-CG 3.28Å; L276-Q355 WeakPolarHBondContact O-CG 3.33Å; L276-I358 HydrophobicContact CB-CD1 4.37Å
277L92.9Very high91.7Very high2 Ų252.4 Ų52.41%0.0126%0.261CS..THydrogen-bonded Turntrans-95.47.5-178.5-64.4172.6000113.9M203 Y207 N273 M274 E275 E279 F280 F282 I358M203-L277 HydrophobicContact CE-CD1 3.81Å; M203-L277 HydrophobicContact CE-CD2 4.12Å; M203-L277 HydrophobicContact CE-CG 4.04Å; Y207-L277 HydrophobicContact CD2-CD2 3.94Å; N273-L277 WeakPolarHBondContact O-CB 3.5Å; N273-L277 VanDerWaalsContact O-CG 3.24Å; N273-L277 WeakPolarHBondContact O-CG 3.34Å; N273-L277 PolarHBondContact O-N 2.9Å; M274-L277 CarbonylContact O-C 3.53Å; M274-L277 PolarHBondContact O-N 3.33Å; E275-L277 PolarHBondContact O-N 3.32Å; L277-E279 PolarHBondContact O-N 3.31Å; L277-E279 VanDerWaalsContact O-N 3.12Å; L277-F280 HydrophobicContact CB-CD2 4.42Å; L277-F280 HydrophobicContact CD2-CD2 4.1Å; L277-F280 HydrophobicContact CD2-CE2 4.43Å; L277-F280 WeakPolarHBondContact O-CB 3.43Å; L277-F280 WeakPolarHBondContact O-CD2 3.45Å; L277-F280 PolarHBondContact O-N 3.19Å; L277-F282 HydrophobicContact CB-CD2 4.09Å; L277-F282 HydrophobicContact CD1-CD2 3.97Å; L277-F282 HydrophobicContact CD1-CE2 4.29Å; L277-F282 HydrophobicContact CD2-CD2 4.33Å; L277-F282 HydrophobicContact CD2-CE2 4.11Å; L277-F282 HydrophobicContact CG-CD2 4.36Å; L277-I358 HydrophobicContact CD2-CD1 4.19Å; L277-I358 HydrophobicContact CD2-CG2 4.13Å
278S91.7Very high91.6Very high75 Ų7552.8 Ų52.852%0.52427%0.271SS..THydrogen-bonded Turntrans-62.8-21.4-171.3540000115.2M274 E275 F280 Q355M274-S278 WeakPolarHBondContact O-CA 3.16Å; M274-S278 PolarHBondContact O-N 3.19Å; E275-S278 WeakPolarHBondContact O-CB 3.48Å; E275-S278 PolarHBondContact O-N 2.99Å; E275-S278 PolarHBondContact O-OG 3.08Å; S278-F280 VanDerWaalsContact C-N 3.28Å; S278-Q355 PolarHBondContact OG-NE2 3.36Å; S278-Q355 VanDerWaalsContact OG-NE2 3.12Å
279E90.4Very high91.4Very high93 Ų9354.6 Ų54.644%0.43529%0.29SS..THydrogen-bonded Turntrans-79-12.4175.5-61.9-170.8150.900113.4L277 Q355 R359L277-E279 PolarHBondContact O-N 3.31Å; L277-E279 VanDerWaalsContact O-N 3.12Å; E279-Q355 HydrophobicContact CG-CG 4.5Å; E279-Q355 PolarHBondContact OE1-OE1 3.22Å; E279-R359 IonicContact OE1-CZ 3.73Å; E279-R359 IonicContact OE1-NH2 2.67Å; E279-R359 PolarHBondContact OE1-NH2 3.01Å; E279-R359 IonicContact OE2-CZ 3.13Å; E279-R359 IonicContact OE2-NE 2.73Å; E279-R359 PolarHBondContact OE2-NE 3.16Å; E279-R359 IonicContact OE2-NH2 2.8Å; E279-R359 PolarHBondContact OE2-NH2 3.29Å
280F88.6Confident91.5Very high41 Ų4158.5 Ų58.518%0.1831%0.313CS..SBendtrans-98.2149.3179-54.7-85.4000109.5Y207 L277 S278 F282 I358 R359Y207-F280 AromaticContact CE2-CD1 3.77Å; Y207-F280 HydrophobicContact CE2-CD1 3.77Å; Y207-F280 HydrophobicContact CE2-CD2 4.49Å; Y207-F280 AromaticContact CE2-CE1 3.8Å; Y207-F280 HydrophobicContact CE2-CE1 3.8Å; Y207-F280 HydrophobicContact CE2-CG 4.14Å; Y207-F280 HydrophobicContact CE2-CZ 4.22Å; L277-F280 HydrophobicContact CB-CD2 4.42Å; L277-F280 HydrophobicContact CD2-CD2 4.1Å; L277-F280 HydrophobicContact CD2-CE2 4.43Å; L277-F280 WeakPolarHBondContact O-CB 3.43Å; L277-F280 WeakPolarHBondContact O-CD2 3.45Å; L277-F280 PolarHBondContact O-N 3.19Å; S278-F280 VanDerWaalsContact C-N 3.28Å; F280-F282 HydrophobicContact CB-CD1 4.39Å; F280-F282 HydrophobicContact CB-CD2 3.98Å; F280-F282 HydrophobicContact CB-CE1 4.43Å; F280-F282 HydrophobicContact CB-CE2 4.02Å; F280-F282 HydrophobicContact CB-CG 4.17Å; F280-F282 HydrophobicContact CB-CZ 4.24Å; F280-F282 HydrophobicContact CG-CE2 4.46Å; F280-F282 PolarHBondContact O-N 3.41Å; F280-I358 HydrophobicContact CD2-CG2 4.28Å; F280-I358 HydrophobicContact CE1-CG2 4.27Å; F280-I358 HydrophobicContact CE2-CB 3.96Å; F280-I358 HydrophobicContact CE2-CG2 3.35Å; F280-I358 HydrophobicContact CZ-CB 3.95Å; F280-I358 HydrophobicContact CZ-CG2 3.35Å; F280-R359 HydrophobicContact CZ-CG 4.18Å
281N88.8Confident91.7Very high135 Ų13559.8 Ų59.872%0.72232%0.323SS*.  trans-77.955179.4-170.625.9000111.6
282F93.4Very high91.7Very high30 Ų3058.8 Ų58.813%0.13232%0.317CS..  trans-98.9146.3177.7-65-18.5000111.5Y207 A210 V211 G215 V217 M274 L277 F280Y207-F282 AromaticContact CD2-CE2 3.68Å; Y207-F282 HydrophobicContact CD2-CE2 3.68Å; Y207-F282 AromaticContact CD2-CZ 3.9Å; Y207-F282 HydrophobicContact CD2-CZ 3.9Å; Y207-F282 AromaticContact CE2-CE2 3.94Å; Y207-F282 HydrophobicContact CE2-CE2 3.94Å; Y207-F282 AromaticContact CE2-CZ 3.79Å; Y207-F282 HydrophobicContact CE2-CZ 3.79Å; Y207-F282 HydrophobicContact CG-CE2 4.44Å; A210-F282 HydrophobicContact CB-CD1 4.37Å; A210-F282 HydrophobicContact CB-CD2 3.94Å; A210-F282 HydrophobicContact CB-CE1 4.2Å; A210-F282 HydrophobicContact CB-CE2 3.76Å; A210-F282 HydrophobicContact CB-CG 4.24Å; A210-F282 HydrophobicContact CB-CZ 3.9Å; V211-F282 HydrophobicContact CG2-CE1 4.1Å; V211-F282 HydrophobicContact CG2-CZ 3.71Å; G215-F282 VanDerWaalsContact CA-CD1 3.47Å; G215-F282 CarbonylContact O-C 3.58Å; G215-F282 WeakPolarHBondContact O-CA 3.35Å; V217-F282 HydrophobicContact CG2-CB 4.19Å; V217-F282 HydrophobicContact CG2-CD2 4.43Å; M274-F282 HydrophobicContact CE-CB 4.39Å; L277-F282 HydrophobicContact CB-CD2 4.09Å; L277-F282 HydrophobicContact CD1-CD2 3.97Å; L277-F282 HydrophobicContact CD1-CE2 4.29Å; L277-F282 HydrophobicContact CD2-CD2 4.33Å; L277-F282 HydrophobicContact CD2-CE2 4.11Å; L277-F282 HydrophobicContact CG-CD2 4.36Å; F280-F282 HydrophobicContact CB-CD1 4.39Å; F280-F282 HydrophobicContact CB-CD2 3.98Å; F280-F282 HydrophobicContact CB-CE1 4.43Å; F280-F282 HydrophobicContact CB-CE2 4.02Å; F280-F282 HydrophobicContact CB-CG 4.17Å; F280-F282 HydrophobicContact CB-CZ 4.24Å; F280-F282 HydrophobicContact CG-CE2 4.46Å; F280-F282 PolarHBondContact O-N 3.41Å
283R91.8Very high91.6Very high172 Ų17261.7 Ų61.765%0.64934%0.336SS*.EExtended strand (participates in β ladder)trans-124.9128.3-179.4-63.1-177.5-177.9-175.7-0.3110G215 L216 V217G215-R283 PolarHBondContact O-N 3.47Å; L216-R283 HydrophobicContact CD2-CB 4.4Å; V217-R283 PolarHBondContact N-O 2.77Å
284K91.1Very high91.7Very high59 Ų5967.4 Ų67.426%0.25736%0.361SS..EExtended strand (participates in β ladder)trans-73.6127.2172.4-171175.377.7164.40109.2V217 D223 E270 D271 M274V217-K284 CarbonylContact O-C 3.51Å; V217-K284 WeakPolarHBondContact O-CA 3.37Å; D223-K284 IonicContact OD1-NZ 3.55Å; D223-K284 PolarHBondContact OD1-NZ 2.62Å; E270-K284 HydrophobicContact CB-CD 4.48Å; D271-K284 IonicContact OD1-NZ 3.21Å; D271-K284 PolarHBondContact OD1-NZ 3Å; D271-K284 IonicContact OD2-NZ 3.71Å; M274-K284 HydrophobicContact CE-CB 4.48Å; M274-K284 HydrophobicContact CG-CB 4.25Å; M274-K284 HydrophobicContact CG-CD 4.41Å; M274-K284 HydrophobicContact SD-CB 4.22Å
285V90.4Very high91.8Very high75 Ų7568.2 Ų68.246%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-114.3117.8169.61800000108.3L216 V217 G219L216-V285 HydrophobicContact CD2-CG2 3.76Å; V217-V285 PolarHBondContact O-N 3.42Å; G219-V285 PolarHBondContact N-O 2.94Å
286C90.3Very high91.7Very high79 Ų7966.2 Ų66.253%0.53436%0.357SS..EExtended strand (participates in β ladder)trans-83.8117.7-178.6-61.30000110.8
287M90.2Very high91.7Very high52 Ų5271 Ų7126%0.25638%0.381SS..PPolyproline II helixtrans-83.6137.7170.6-171.5171.2-68.100109.8I218 G219 G220 G289 V291 L292 L295I218-M287 HydrophobicContact CG2-CB 4.39Å; I218-M287 HydrophobicContact CG2-CE 4.05Å; G219-M287 WeakPolarHBondContact O-CB 3.35Å; G219-M287 PolarHBondContact O-N 3.02Å; G220-M287 WeakPolarHBondContact CA-O 3.25Å; M287-G289 PolarHBondContact O-N 2.74Å; M287-V291 HydrophobicContact CG-CB 3.87Å; M287-V291 HydrophobicContact CG-CG1 3.88Å; M287-V291 HydrophobicContact SD-CB 4.11Å; M287-V291 HydrophobicContact SD-CG1 3.54Å; M287-V291 VanDerWaalsContact SD-CG1 3.54Å; M287-L292 HydrophobicContact CB-CD2 4.24Å; M287-L292 HydrophobicContact CB-CG 4.2Å; M287-L292 HydrophobicContact CG-CD2 4.26Å; M287-L292 HydrophobicContact CG-CG 4.19Å; M287-L292 HydrophobicContact SD-CD2 3.7Å; M287-L292 HydrophobicContact SD-CG 4.18Å; M287-L295 HydrophobicContact CE-CD1 4.37Å; M287-L295 HydrophobicContact SD-CD1 3.66Å
288P91.6Very high91.8Very high80 Ų8073.8 Ų73.852%0.51940%0.396SS..PPolyproline II helixtrans-58.4135.7176.1-23.933.4000111.5I290 V291 L292P288-I290 HydrophobicContact CB-CG2 4.16Å; P288-I290 PolarHBondContact O-N 2.7Å; P288-I290 VanDerWaalsContact O-N 3.1Å; P288-V291 HydrophobicContact CB-CG2 4.13Å; P288-V291 HydrophobicContact CG-CG2 4.3Å; P288-V291 WeakPolarHBondContact O-CA 3.16Å; P288-V291 WeakPolarHBondContact O-CB 3.37Å; P288-V291 PolarHBondContact O-N 3.37Å; P288-L292 PolarHBondContact O-N 3.44Å
289G88.7Confident92Very high39 Ų3971.1 Ų71.140%0.40238%0.376SS..Hα-helixtrans-55.9-32.5-176.800000114M287 V291 L292 C293M287-G289 PolarHBondContact O-N 2.74Å; G289-V291 VanDerWaalsContact C-N 3.29Å; G289-V291 PolarHBondContact O-N 3.23Å; G289-L292 PolarHBondContact O-N 3.11Å; G289-C293 PolarHBondContact O-N 3.39Å; G289-C293 PolarHBondContact O-SG 3Å; G289-C293 VanDerWaalsContact O-SG 3.34Å
290I91.1Very high92.1Very high136 Ų13668.7 Ų68.770%0.69737%0.366SS*.Hα-helixtrans-61.7-37174.6-167.870.3000112.3P288 F294P288-I290 HydrophobicContact CB-CG2 4.16Å; P288-I290 PolarHBondContact O-N 2.7Å; P288-I290 VanDerWaalsContact O-N 3.1Å; I290-F294 PolarHBondContact O-N 3.23Å
291V93.5Very high92.3Very high57 Ų5772 Ų7235%0.34538%0.38SS..Hα-helixtrans-71.6-42177.8-1790000109.7M287 P288 G289 C293 F294 L295M287-V291 HydrophobicContact CG-CB 3.87Å; M287-V291 HydrophobicContact CG-CG1 3.88Å; M287-V291 HydrophobicContact SD-CB 4.11Å; M287-V291 HydrophobicContact SD-CG1 3.54Å; M287-V291 VanDerWaalsContact SD-CG1 3.54Å; P288-V291 HydrophobicContact CB-CG2 4.13Å; P288-V291 HydrophobicContact CG-CG2 4.3Å; P288-V291 WeakPolarHBondContact O-CA 3.16Å; P288-V291 WeakPolarHBondContact O-CB 3.37Å; P288-V291 PolarHBondContact O-N 3.37Å; G289-V291 VanDerWaalsContact C-N 3.29Å; G289-V291 PolarHBondContact O-N 3.23Å; V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.91Å; V291-F294 PolarHBondContact O-N 2.86Å; V291-L295 HydrophobicContact CG1-CD1 4.12Å; V291-L295 HydrophobicContact CG1-CG 4.34Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.37Å; V291-L295 PolarHBondContact O-N 3.46Å
292L92.1Very high92.6Very high14 Ų1468.4 Ų68.47%0.07336%0.361CS..Hα-helixtrans-60.3-43.4174.3-71.3177.9000112.1M287 P288 G289 L295 A296 L316 L321M287-L292 HydrophobicContact CB-CD2 4.24Å; M287-L292 HydrophobicContact CB-CG 4.2Å; M287-L292 HydrophobicContact CG-CD2 4.26Å; M287-L292 HydrophobicContact CG-CG 4.19Å; M287-L292 HydrophobicContact SD-CD2 3.7Å; M287-L292 HydrophobicContact SD-CG 4.18Å; P288-L292 PolarHBondContact O-N 3.44Å; G289-L292 PolarHBondContact O-N 3.11Å; L292-L295 PolarHBondContact O-N 3.03Å; L292-A296 VanDerWaalsContact O-CB 3.32Å; L292-A296 WeakPolarHBondContact O-CB 3.37Å; L292-A296 PolarHBondContact O-N 3.41Å; L292-L316 HydrophobicContact CD2-CD2 3.97Å; L292-L321 HydrophobicContact CB-CD1 4.25Å; L292-L321 HydrophobicContact CB-CD2 4.36Å; L292-L321 HydrophobicContact CD1-CD1 4.49Å
293C92.3Very high92.5Very high61 Ų6170.4 Ų70.441%0.41237%0.367SS..Hα-helixtrans-59.6-46.5174.7-73.80000111.8G289 V291 A296 I297G289-C293 PolarHBondContact O-N 3.39Å; G289-C293 PolarHBondContact O-SG 3Å; G289-C293 VanDerWaalsContact O-SG 3.34Å; V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.91Å; C293-A296 PolarHBondContact O-N 3.04Å; C293-I297 VanDerWaalsContact O-CG1 3.32Å; C293-I297 WeakPolarHBondContact O-CG1 3.44Å; C293-I297 PolarHBondContact O-N 3.16Å
294F95Very high92.5Very high134 Ų13471 Ų7159%0.58837%0.369SS*.Hα-helixtrans-61-48177.1176.9-95.8000111.8I290 V291 A296 I297 L298I290-F294 PolarHBondContact O-N 3.23Å; V291-F294 PolarHBondContact O-N 2.86Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 2.95Å; F294-I297 PolarHBondContact O-N 3.27Å; F294-L298 HydrophobicContact CE1-CD2 4.12Å; F294-L298 WeakPolarHBondContact O-CB 3.43Å; F294-L298 PolarHBondContact O-N 3.33Å
295L94.4Very high92.6Very high55 Ų5571.9 Ų71.929%0.28838%0.376SS..Hα-helixtrans-62.1-40.1178.3-70.4176.5000112.1M287 V291 L292 L298 N299 L316M287-L295 HydrophobicContact CE-CD1 4.37Å; M287-L295 HydrophobicContact SD-CD1 3.66Å; V291-L295 HydrophobicContact CG1-CD1 4.12Å; V291-L295 HydrophobicContact CG1-CG 4.34Å; V291-L295 WeakPolarHBondContact O-CB 3.46Å; V291-L295 WeakPolarHBondContact O-CG 3.37Å; V291-L295 PolarHBondContact O-N 3.46Å; L292-L295 PolarHBondContact O-N 3.03Å; L295-L298 PolarHBondContact O-N 3.17Å; L295-N299 VanDerWaalsContact O-CB 3.23Å; L295-N299 WeakPolarHBondContact O-CB 3.28Å; L295-N299 PolarHBondContact O-N 3.48Å; L295-N299 PolarHBondContact O-ND2 3.45Å; L295-L316 HydrophobicContact CB-CD2 3.83Å
296A93.4Very high92.7Very high1 Ų171.1 Ų71.11%0.00837%0.37CS..Hα-helixtrans-63.2-41.9176.500000112.2L292 C293 F294 D300 L316 R318 L321L292-A296 VanDerWaalsContact O-CB 3.32Å; L292-A296 WeakPolarHBondContact O-CB 3.37Å; L292-A296 PolarHBondContact O-N 3.41Å; C293-A296 PolarHBondContact O-N 3.04Å; F294-A296 VanDerWaalsContact C-N 3.34Å; F294-A296 PolarHBondContact O-N 2.95Å; A296-D300 PolarHBondContact O-N 3.05Å; A296-L316 HydrophobicContact CB-CD1 4.39Å; A296-L316 HydrophobicContact CB-CG 4.23Å; A296-R318 HydrophobicContact CB-CG 4.28Å; A296-L321 HydrophobicContact CB-CB 4.42Å; A296-L321 HydrophobicContact CB-CD2 3.87Å
297I94.3Very high92.6Very high100 Ų10070.9 Ų70.951%0.51337%0.369SS..Hα-helixtrans-66.4-45.2175.6-67.2165.5000110.7C293 F294 N299 D300 F301 R318C293-I297 VanDerWaalsContact O-CG1 3.32Å; C293-I297 WeakPolarHBondContact O-CG1 3.44Å; C293-I297 PolarHBondContact O-N 3.16Å; F294-I297 PolarHBondContact O-N 3.27Å; I297-N299 VanDerWaalsContact C-N 3.32Å; I297-N299 PolarHBondContact O-N 3.07Å; I297-D300 PolarHBondContact O-N 3.37Å; I297-F301 WeakPolarHBondContact O-CB 3.37Å; I297-F301 PolarHBondContact O-N 3.03Å; I297-R318 HydrophobicContact CG1-CG 4.3Å
298L95.3Very high92.5Very high61 Ų6172.9 Ų72.932%0.31939%0.385SS..Hα-helixtrans-59.9-43.7177.517961.9000111.2F294 L295 D300 F301 L302F294-L298 HydrophobicContact CE1-CD2 4.12Å; F294-L298 WeakPolarHBondContact O-CB 3.43Å; F294-L298 PolarHBondContact O-N 3.33Å; L295-L298 PolarHBondContact O-N 3.17Å; L298-D300 PolarHBondContact O-N 2.98Å; L298-F301 PolarHBondContact O-N 3.4Å; L298-L302 HydrophobicContact CD1-CD1 4.26Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 4.02Å; L298-L302 HydrophobicContact CG-CG 4.31Å; L298-L302 WeakPolarHBondContact O-CB 3.32Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.46Å
299N95.3Very high92.4Very high20 Ų2077.8 Ų77.811%0.10740%0.399CS..Hα-helixtrans-61.5-42.8178.4-79.8-9.9000112.6L295 I297 R303 Y312 P314 L316L295-N299 VanDerWaalsContact O-CB 3.23Å; L295-N299 WeakPolarHBondContact O-CB 3.28Å; L295-N299 PolarHBondContact O-N 3.48Å; L295-N299 PolarHBondContact O-ND2 3.45Å; I297-N299 VanDerWaalsContact C-N 3.32Å; I297-N299 PolarHBondContact O-N 3.07Å; N299-R303 VanDerWaalsContact O-CB 3.3Å; N299-R303 WeakPolarHBondContact O-CB 3.41Å; N299-R303 PolarHBondContact O-N 3.39Å; N299-Y312 PolarHBondContact OD1-OH 3.48Å; N299-P314 HydrophobicContact CB-CB 4.35Å; N299-P314 HydrophobicContact CB-CG 3.63Å; N299-L316 WeakPolarHBondContact CB-O 3.4Å; N299-L316 PolarHBondContact ND2-O 3.29Å
300D92.2Very high92.3Very high42 Ų4283.2 Ų83.223%0.22541%0.408CS..Hα-helixtrans-65.7-39.6175.4-79.4-14.1000112A296 I297 L298 R303 W304 N317 R318A296-D300 PolarHBondContact O-N 3.05Å; I297-D300 PolarHBondContact O-N 3.37Å; L298-D300 PolarHBondContact O-N 2.98Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-W304 PolarHBondContact O-N 3.34Å; D300-N317 WeakPolarHBondContact OD1-CB 3.41Å; D300-R318 WeakPolarHBondContact OD2-CB 3.27Å; D300-R318 WeakPolarHBondContact OD2-CD 3.46Å; D300-R318 WeakPolarHBondContact OD2-CG 3.09Å; D300-R318 PolarHBondContact OD2-N 2.94Å
301F93.7Very high92.1Very high109 Ų10981.4 Ų81.448%0.47840%0.4SS..Hα-helixtrans-65.1-47.4176.4177.8-108.6000112.2I297 L298 R303 W304 I305I297-F301 WeakPolarHBondContact O-CB 3.37Å; I297-F301 PolarHBondContact O-N 3.03Å; L298-F301 PolarHBondContact O-N 3.4Å; F301-R303 VanDerWaalsContact C-N 3.32Å; F301-R303 PolarHBondContact O-N 2.88Å; F301-W304 HydrophobicContact CD2-CE3 4.17Å; F301-W304 HydrophobicContact CE2-CE3 4.16Å; F301-W304 HydrophobicContact CE2-CZ3 4.11Å; F301-W304 WeakPolarHBondContact O-CB 3.44Å; F301-W304 PolarHBondContact O-N 3.25Å; F301-I305 HydrophobicContact CD1-CD1 3.91Å; F301-I305 HydrophobicContact CD2-CD1 4.36Å; F301-I305 HydrophobicContact CE1-CD1 3.32Å; F301-I305 HydrophobicContact CE2-CD1 3.83Å; F301-I305 HydrophobicContact CE2-CG1 4.44Å; F301-I305 HydrophobicContact CG-CD1 4.41Å; F301-I305 HydrophobicContact CZ-CD1 3.3Å; F301-I305 HydrophobicContact CZ-CG1 4.35Å; F301-I305 PolarHBondContact O-N 3.27Å
302L93.7Very high91.8Very high60 Ų6081.8 Ų81.831%0.31440%0.396SS..Hα-helixtrans-60.4-43.2175.3-72.2176.5000111L298 W304 I305 L306 Y312L298-L302 HydrophobicContact CD1-CD1 4.26Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 4.02Å; L298-L302 HydrophobicContact CG-CG 4.31Å; L298-L302 WeakPolarHBondContact O-CB 3.32Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.32Å; L298-L302 PolarHBondContact O-N 3.46Å; L302-W304 VanDerWaalsContact C-N 3.34Å; L302-W304 PolarHBondContact O-N 2.86Å; L302-I305 PolarHBondContact O-N 3.4Å; L302-L306 VanDerWaalsContact O-CB 3.25Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 WeakPolarHBondContact O-CG 3.2Å; L302-L306 PolarHBondContact O-N 2.91Å; L302-Y312 HydrophobicContact CB-CD1 4.11Å; L302-Y312 HydrophobicContact CB-CE1 3.91Å; L302-Y312 HydrophobicContact CD1-CE1 4.41Å
303R92.6Very high91.6Very high72 Ų7282.6 Ų82.627%0.27240%0.402SS..Hα-helixtrans-59-45.7174.8176.3175.4169.1-100.6-10.9111.4H94 N299 D300 F301 I305 L306 S307 Y312H94-R303 PolarHBondContact CD2-NH1 3.05Å; H94-R303 PolarHBondContact ND1-NH2 3.39Å; H94-R303 PolarHBondContact NE2-NH1 3.02Å; H94-R303 VanDerWaalsContact NE2-NH1 3.16Å; N299-R303 VanDerWaalsContact O-CB 3.3Å; N299-R303 WeakPolarHBondContact O-CB 3.41Å; N299-R303 PolarHBondContact O-N 3.39Å; D300-R303 PolarHBondContact O-N 2.81Å; F301-R303 VanDerWaalsContact C-N 3.32Å; F301-R303 PolarHBondContact O-N 2.88Å; R303-I305 PolarHBondContact O-N 3.2Å; R303-L306 PolarHBondContact O-N 2.8Å; R303-S307 WeakPolarHBondContact O-CA 3.32Å; R303-S307 VanDerWaalsContact O-CB 3.23Å; R303-S307 WeakPolarHBondContact O-CB 3.47Å; R303-S307 PolarHBondContact O-N 3.42Å; R303-Y312 HydrophobicContact CB-CD1 4.11Å; R303-Y312 WeakPolarHBondContact CG-O 3.36Å
304W90.9Very high91.4Very high184 Ų18480.8 Ų80.870%0.69739%0.389SS*.Hα-helixtrans-59.1-47.6179.2174.766.1000111.7D300 F301 L302 S307D300-W304 PolarHBondContact O-N 3.34Å; F301-W304 HydrophobicContact CD2-CE3 4.17Å; F301-W304 HydrophobicContact CE2-CE3 4.16Å; F301-W304 HydrophobicContact CE2-CZ3 4.11Å; F301-W304 WeakPolarHBondContact O-CB 3.44Å; F301-W304 PolarHBondContact O-N 3.25Å; L302-W304 VanDerWaalsContact C-N 3.34Å; L302-W304 PolarHBondContact O-N 2.86Å; W304-S307 PolarHBondContact O-OG 3.1Å
305I93.8Very high91Very high78 Ų7877.3 Ų77.340%0.438%0.376SS..Hα-helixtrans-64.3-45177.8-69.6173000112.2F301 L302 R303 P308F301-I305 HydrophobicContact CD1-CD1 3.91Å; F301-I305 HydrophobicContact CD2-CD1 4.36Å; F301-I305 HydrophobicContact CE1-CD1 3.32Å; F301-I305 HydrophobicContact CE2-CD1 3.83Å; F301-I305 HydrophobicContact CE2-CG1 4.44Å; F301-I305 HydrophobicContact CG-CD1 4.41Å; F301-I305 HydrophobicContact CZ-CD1 3.3Å; F301-I305 HydrophobicContact CZ-CG1 4.35Å; F301-I305 PolarHBondContact O-N 3.27Å; L302-I305 PolarHBondContact O-N 3.4Å; R303-I305 PolarHBondContact O-N 3.2Å; I305-P308 WeakPolarHBondContact O-CD 3.39Å
306L92.1Very high90.8Very high60 Ų6076.7 Ų76.731%0.31437%0.373SS..Hα-helixtrans-79.9-19.9-173.9-65.1175.4000112.7L302 R303 P308 F309 Y310 Y312L302-L306 VanDerWaalsContact O-CB 3.25Å; L302-L306 WeakPolarHBondContact O-CB 3.47Å; L302-L306 WeakPolarHBondContact O-CG 3.2Å; L302-L306 PolarHBondContact O-N 2.91Å; R303-L306 PolarHBondContact O-N 2.8Å; L306-P308 VanDerWaalsContact C-N 3.29Å; L306-P308 WeakPolarHBondContact O-CD 3.36Å; L306-F309 PolarHBondContact O-N 2.82Å; L306-Y310 CarbonylContact C-O 3.58Å; L306-Y310 PolarHBondContact O-N 2.8Å; L306-Y310 VanDerWaalsContact O-O 3.1Å; L306-Y312 HydrophobicContact CD1-CD1 4.47Å; L306-Y312 HydrophobicContact CD1-CG 4.1Å
307S88.3Confident90.7Very high73 Ų7377 Ų7751%0.5137%0.374SS..THydrogen-bonded Turntrans-50.1-33-173.865.20000116.5R303 W304 F309R303-S307 WeakPolarHBondContact O-CA 3.32Å; R303-S307 VanDerWaalsContact O-CB 3.23Å; R303-S307 WeakPolarHBondContact O-CB 3.47Å; R303-S307 PolarHBondContact O-N 3.42Å; W304-S307 PolarHBondContact O-OG 3.1Å; S307-F309 VanDerWaalsContact C-N 3.29Å; S307-F309 PolarHBondContact O-N 3.23Å
308P88.8Confident90.6Very high94 Ų9479.7 Ų79.761%0.6138%0.378SS*.THydrogen-bonded Turntrans-71-21.7176.2-17.933.7000114I305 L306I305-P308 WeakPolarHBondContact O-CD 3.39Å; L306-P308 VanDerWaalsContact C-N 3.29Å; L306-P308 WeakPolarHBondContact O-CD 3.36Å
309F90.1Very high90.4Very high183 Ų18377.3 Ų77.380%0.80337%0.365SS*.THydrogen-bonded Turntrans-120-29-169.1-52.5-71.2000113.6L306 S307L306-F309 PolarHBondContact O-N 2.82Å; S307-F309 VanDerWaalsContact C-N 3.29Å; S307-F309 PolarHBondContact O-N 3.23Å
310Y86.6Confident90.2Very high153 Ų15377.4 Ų77.460%0.637%0.367SS*.  trans-152.4136.7-172-177.1-104.4000112.1L306 Y312L306-Y310 CarbonylContact C-O 3.58Å; L306-Y310 PolarHBondContact O-N 2.8Å; L306-Y310 VanDerWaalsContact O-O 3.1Å; Y310-Y312 VanDerWaalsContact C-N 3.31Å; Y310-Y312 HydrophobicContact CE1-CD2 4.28Å; Y310-Y312 PolarHBondContact O-N 2.99Å
311N85.2Confident90.2Very high98 Ų9876.5 Ų76.552%0.52436%0.361SS..  trans-82.772.2-179.5-165.921.2000112T313N311-T313 PolarHBondContact O-N 2.91Å; N311-T313 WeakPolarHBondContact OD1-CG2 2.95Å
312Y88.2Confident90.1Very high65 Ų6572.6 Ų72.626%0.25535%0.35SS..  trans-75.7111.8177.7-174.2-114.4000111.7N299 L302 R303 L306 Y310 P314N299-Y312 PolarHBondContact OD1-OH 3.48Å; L302-Y312 HydrophobicContact CB-CD1 4.11Å; L302-Y312 HydrophobicContact CB-CE1 3.91Å; L302-Y312 HydrophobicContact CD1-CE1 4.41Å; R303-Y312 HydrophobicContact CB-CD1 4.11Å; R303-Y312 WeakPolarHBondContact CG-O 3.36Å; L306-Y312 HydrophobicContact CD1-CD1 4.47Å; L306-Y312 HydrophobicContact CD1-CG 4.1Å; Y310-Y312 VanDerWaalsContact C-N 3.31Å; Y310-Y312 HydrophobicContact CE1-CD2 4.28Å; Y310-Y312 PolarHBondContact O-N 2.99Å; Y312-P314 HydrophobicContact CD1-CG 4.19Å; Y312-P314 HydrophobicContact CE1-CB 4.29Å; Y312-P314 HydrophobicContact CE1-CG 3.64Å
313T87Confident89.9Confident32 Ų3270.3 Ų70.320%0.19634%0.338CS..  trans-13369.5-17151.20000112.8W93 K95 N311W93-T313 WeakPolarHBondContact O-CG2 3.49Å; K95-T313 HydrophobicContact CB-CG2 4.5Å; K95-T313 HydrophobicContact CG-CG2 3.84Å; K95-T313 WeakPolarHBondContact CG-OG1 3.16Å; N311-T313 PolarHBondContact O-N 2.91Å; N311-T313 WeakPolarHBondContact OD1-CG2 2.95Å
314P88.3Confident89.9Confident23 Ų2367.8 Ų67.815%0.14933%0.332CS..  trans-68146.6-177.828.5-33.8000112.1N299 Y312 L316N299-P314 HydrophobicContact CB-CB 4.35Å; N299-P314 HydrophobicContact CB-CG 3.63Å; Y312-P314 HydrophobicContact CD1-CG 4.19Å; Y312-P314 HydrophobicContact CE1-CB 4.29Å; Y312-P314 HydrophobicContact CE1-CG 3.64Å; P314-L316 VanDerWaalsContact C-N 3.3Å; P314-L316 PolarHBondContact O-N 3.39Å
315L86.8Confident89.8Confident60 Ų6061 Ų6131%0.31431%0.313SS..SBendtrans-63-37.1177.4-68.8179.2000112.5W93 L202 F206 T320W93-L315 HydrophobicContact CD2-CD2 4.38Å; W93-L315 HydrophobicContact CZ2-CD2 4.26Å; W93-L315 PolarHBondContact NE1-O 3Å; L202-L315 HydrophobicContact CD1-CD2 4.26Å; F206-L315 HydrophobicContact CE1-CD1 4.31Å; L315-T320 PolarHBondContact O-OG1 2.83Å
316L90.7Very high89.7Confident43 Ų4357.4 Ų57.423%0.22530%0.295CS..  trans-89.3114.9174.4-179.865.6000109.8L292 L295 A296 N299 P314 L321L292-L316 HydrophobicContact CD2-CD2 3.97Å; L295-L316 HydrophobicContact CB-CD2 3.83Å; A296-L316 HydrophobicContact CB-CD1 4.39Å; A296-L316 HydrophobicContact CB-CG 4.23Å; N299-L316 WeakPolarHBondContact CB-O 3.4Å; N299-L316 PolarHBondContact ND2-O 3.29Å; P314-L316 VanDerWaalsContact C-N 3.3Å; P314-L316 PolarHBondContact O-N 3.39Å; L316-L321 HydrophobicContact CD1-CB 4.05Å; L316-L321 HydrophobicContact CD1-CD1 4.3Å
317N91.6Very high89.8Confident7 Ų755.4 Ų55.44%0.03729%0.285CS..  trans-141.2174.9170.963.457.3000108.8V92 D300 Y319 T320 L321V92-N317 PolarHBondContact O-ND2 2.84Å; D300-N317 WeakPolarHBondContact OD1-CB 3.41Å; N317-Y319 VanDerWaalsContact C-N 3.26Å; N317-Y319 PolarHBondContact O-N 3.02Å; N317-Y319 WeakPolarHBondContact OD1-CA 3.34Å; N317-Y319 VanDerWaalsContact OD1-CB 3.3Å; N317-Y319 WeakPolarHBondContact OD1-CB 3.47Å; N317-Y319 PolarHBondContact OD1-N 3.03Å; N317-T320 PolarHBondContact N-OG1 3.45Å; N317-T320 PolarHBondContact O-N 3.4Å; N317-T320 PolarHBondContact O-OG1 3.22Å; N317-T320 PolarHBondContact OD1-N 3.34Å; N317-T320 PolarHBondContact OD1-OG1 3.41Å; N317-L321 WeakPolarHBondContact O-CB 3.4Å; N317-L321 PolarHBondContact O-N 3.33Å
318R91.4Very high90Very high157 Ų15751.9 Ų51.959%0.59226%0.261SS*.Hα-helixtrans-62.5-34.3-176.9-70.1173.761.9-160.4-0.4112.9A296 I297 D300 A322A296-R318 HydrophobicContact CB-CG 4.28Å; I297-R318 HydrophobicContact CG1-CG 4.3Å; D300-R318 WeakPolarHBondContact OD2-CB 3.27Å; D300-R318 WeakPolarHBondContact OD2-CD 3.46Å; D300-R318 WeakPolarHBondContact OD2-CG 3.09Å; D300-R318 PolarHBondContact OD2-N 2.94Å; R318-A322 VanDerWaalsContact O-CB 3.31Å; R318-A322 WeakPolarHBondContact O-CB 3.16Å; R318-A322 PolarHBondContact O-N 3.3Å; R318-A322 VanDerWaalsContact O-N 3.1Å
319Y91.4Very high90.2Very high10 Ų1047.6 Ų47.64%0.03923%0.232CC..Hα-helixtrans-67.7-51.5177.9178.7-92.7000111V92 E131 V137 H156 T157 M158 P161 N317 L321 A322 V323V92-Y319 HydrophobicContact CB-CD1 4.1Å; V92-Y319 HydrophobicContact CB-CE1 3.88Å; V92-Y319 HydrophobicContact CG1-CE1 3.89Å; E131-Y319 PolarHBondContact OE2-OH 3.12Å; V137-Y319 HydrophobicContact CG1-CD2 3.42Å; V137-Y319 VanDerWaalsContact CG1-CD2 3.42Å; V137-Y319 HydrophobicContact CG1-CE2 3.8Å; H156-Y319 AromaticContact ND1-CZ 3.98Å; H156-Y319 PolarHBondContact ND1-OH 2.69Å; T157-Y319 WeakPolarHBondContact OG1-CD2 3.02Å; M158-Y319 HydrophobicContact CB-CD2 4.45Å; M158-Y319 HydrophobicContact CB-CE1 4.33Å; M158-Y319 HydrophobicContact CB-CE2 4.18Å; M158-Y319 HydrophobicContact CG-CD1 3.49Å; M158-Y319 VanDerWaalsContact CG-CD1 3.49Å; M158-Y319 HydrophobicContact CG-CD2 3.42Å; M158-Y319 VanDerWaalsContact CG-CD2 3.42Å; M158-Y319 HydrophobicContact CG-CE1 3.67Å; M158-Y319 HydrophobicContact CG-CE2 3.59Å; M158-Y319 HydrophobicContact CG-CG 3.37Å; M158-Y319 HydrophobicContact SD-CD2 4.48Å; M158-Y319 HydrophobicContact SD-CG 4.19Å; P161-Y319 WeakPolarHBondContact CG-OH 3.36Å; N317-Y319 VanDerWaalsContact C-N 3.26Å; N317-Y319 PolarHBondContact O-N 3.02Å; N317-Y319 WeakPolarHBondContact OD1-CA 3.34Å; N317-Y319 VanDerWaalsContact OD1-CB 3.3Å; N317-Y319 WeakPolarHBondContact OD1-CB 3.47Å; N317-Y319 PolarHBondContact OD1-N 3.03Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 2.93Å; Y319-A322 PolarHBondContact O-N 2.95Å; Y319-V323 HydrophobicContact CD1-CG2 4.1Å; Y319-V323 HydrophobicContact CD2-CG2 4.47Å; Y319-V323 HydrophobicContact CE1-CG2 3.69Å; Y319-V323 HydrophobicContact CE2-CG2 4.1Å; Y319-V323 HydrophobicContact CG-CG2 4.48Å; Y319-V323 WeakPolarHBondContact O-CG2 3.3Å; Y319-V323 PolarHBondContact O-N 2.99Å
320T91.4Very high90.4Very high23 Ų2338.9 Ų38.914%0.14119%0.194CC..Hα-helixtrans-66-36-177.756.70000112V92 L315 N317 A324V92-T320 HydrophobicContact CG2-CG2 4.1Å; L315-T320 PolarHBondContact O-OG1 2.83Å; N317-T320 PolarHBondContact N-OG1 3.45Å; N317-T320 PolarHBondContact O-N 3.4Å; N317-T320 PolarHBondContact O-OG1 3.22Å; N317-T320 PolarHBondContact OD1-N 3.34Å; N317-T320 PolarHBondContact OD1-OG1 3.41Å; T320-A324 WeakPolarHBondContact O-CB 3.32Å; T320-A324 PolarHBondContact O-N 3.26Å
321L91.9Very high90.7Very high22 Ų2235.5 Ų35.512%0.11518%0.184CC..Hα-helixtrans-64.5-44.6173-176.960.4000111.9L292 A296 L316 N317 Y319 A324 S325L292-L321 HydrophobicContact CB-CD1 4.25Å; L292-L321 HydrophobicContact CB-CD2 4.36Å; L292-L321 HydrophobicContact CD1-CD1 4.49Å; A296-L321 HydrophobicContact CB-CB 4.42Å; A296-L321 HydrophobicContact CB-CD2 3.87Å; L316-L321 HydrophobicContact CD1-CB 4.05Å; L316-L321 HydrophobicContact CD1-CD1 4.3Å; N317-L321 WeakPolarHBondContact O-CB 3.4Å; N317-L321 PolarHBondContact O-N 3.33Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 2.93Å; L321-A324 PolarHBondContact O-N 3.37Å; L321-S325 VanDerWaalsContact O-CB 3.23Å; L321-S325 WeakPolarHBondContact O-CB 3.44Å; L321-S325 PolarHBondContact O-N 3.27Å; L321-S325 PolarHBondContact O-OG 3.44Å
322A91Very high91.1Very high28 Ų2831.6 Ų31.623%0.23116%0.164CC..Hα-helixtrans-62.8-46.4178.400000111.7R318 Y319 S325 T326R318-A322 VanDerWaalsContact O-CB 3.31Å; R318-A322 WeakPolarHBondContact O-CB 3.16Å; R318-A322 PolarHBondContact O-N 3.3Å; R318-A322 VanDerWaalsContact O-N 3.1Å; Y319-A322 PolarHBondContact O-N 2.95Å; A322-S325 PolarHBondContact O-N 3.12Å; A322-T326 WeakPolarHBondContact O-CB 3.32Å; A322-T326 PolarHBondContact O-N 3.27Å; A322-T326 PolarHBondContact O-OG1 2.8Å
323V90.9Very high91.4Very high11 Ų1130.2 Ų30.27%0.06716%0.161CC..Hα-helixtrans-62.1-48.9176.9173.10000110.5P135 H227 Y319 S325 T326P135-V323 HydrophobicContact CB-CG1 4.33Å; P135-V323 HydrophobicContact CG-CG1 3.8Å; H227-V323 PolarHBondContact CE1-O 3.04Å; H227-V323 VanDerWaalsContact CE1-O 3.24Å; Y319-V323 HydrophobicContact CD1-CG2 4.1Å; Y319-V323 HydrophobicContact CD2-CG2 4.47Å; Y319-V323 HydrophobicContact CE1-CG2 3.69Å; Y319-V323 HydrophobicContact CE2-CG2 4.1Å; Y319-V323 HydrophobicContact CG-CG2 4.48Å; Y319-V323 WeakPolarHBondContact O-CG2 3.3Å; Y319-V323 PolarHBondContact O-N 2.99Å; V323-S325 VanDerWaalsContact C-N 3.26Å; V323-S325 PolarHBondContact O-N 3.12Å; V323-T326 PolarHBondContact O-N 3.12Å
324A90.7Very high91.9Very high19 Ų1929.3 Ų29.316%0.15715%0.154CC..Hα-helixtrans-63.3-31.618000000112.9V221 I225 H227 Y269 T320 L321V221-A324 WeakPolarHBondContact CG1-O 3.24Å; V221-A324 HydrophobicContact CG2-CB 4.02Å; I225-A324 WeakPolarHBondContact CG2-O 3.35Å; H227-A324 PolarHBondContact NE2-O 3.04Å; Y269-A324 HydrophobicContact CD2-CB 4.14Å; T320-A324 WeakPolarHBondContact O-CB 3.32Å; T320-A324 PolarHBondContact O-N 3.26Å; L321-A324 PolarHBondContact O-N 3.37Å
325S90.6Very high92.3Very high41 Ų4128.2 Ų28.229%0.28715%0.147SC..THydrogen-bonded Turntrans-87.21.3-179.3-51.60000114.3I225 L321 A322 V323I225-S325 VanDerWaalsContact CD1-O 3.27Å; I225-S325 WeakPolarHBondContact CD1-O 3.28Å; L321-S325 VanDerWaalsContact O-CB 3.23Å; L321-S325 WeakPolarHBondContact O-CB 3.44Å; L321-S325 PolarHBondContact O-N 3.27Å; L321-S325 PolarHBondContact O-OG 3.44Å; A322-S325 PolarHBondContact O-N 3.12Å; V323-S325 VanDerWaalsContact C-N 3.26Å; V323-S325 PolarHBondContact O-N 3.12Å
326T91.3Very high92.8Very high4 Ų430.2 Ų30.23%0.02516%0.155CC..SBendtrans-109.7120.1-177.9-57.80000110.1P135 G139 D140 H227 A322 V323 F328P135-T326 HydrophobicContact CB-CG2 3.84Å; G139-T326 WeakPolarHBondContact CA-OG1 3.42Å; D140-T326 VanDerWaalsContact O-CG2 3.25Å; D140-T326 WeakPolarHBondContact O-CG2 3.46Å; H227-T326 PolarHBondContact CE1-O 3.38Å; H227-T326 PolarHBondContact NE2-O 2.91Å; A322-T326 WeakPolarHBondContact O-CB 3.32Å; A322-T326 PolarHBondContact O-N 3.27Å; A322-T326 PolarHBondContact O-OG1 2.8Å; V323-T326 PolarHBondContact O-N 3.12Å; T326-F328 PolarHBondContact O-N 2.73Å
327T92.8Very high93Very high17 Ų1734.5 Ų34.510%0.10417%0.168CC..  trans-59.9128.3176.3-56.60000110.8H141 F142 E226 T329H141-T327 WeakPolarHBondContact CA-O 2.86Å; H141-T327 WeakPolarHBondContact ND1-CB 3.49Å; H141-T327 PolarHBondContact ND1-N 3.03Å; H141-T327 PolarHBondContact ND1-OG1 3.08Å; F142-T327 PolarHBondContact N-O 2.92Å; E226-T327 HydrophobicContact CB-CG2 3.95Å; E226-T327 CarbonylContact O-C 3.26Å; E226-T327 VanDerWaalsContact O-CA 3.26Å; E226-T327 WeakPolarHBondContact O-CA 3.38Å; E226-T327 WeakPolarHBondContact O-CG2 3.5Å; T327-T329 HydrophobicContact CG2-CG2 4.13Å
328F93.6Very high93.3Very high0 Ų037.1 Ų37.10%018%0.178CC..EExtended strand (participates in β ladder)trans-141.9100.1175-165-82.4000110.6M130 I133 G134 P135 F142 Y152 E226 H227 G228 F259 T326 V330M130-F328 HydrophobicContact CB-CE1 3.89Å; M130-F328 HydrophobicContact CB-CZ 4.47Å; M130-F328 HydrophobicContact CG-CE1 4.32Å; M130-F328 HydrophobicContact SD-CD1 3.75Å; M130-F328 HydrophobicContact SD-CE1 3.95Å; I133-F328 HydrophobicContact CB-CZ 4.4Å; I133-F328 HydrophobicContact CG2-CE2 4.4Å; I133-F328 HydrophobicContact CG2-CZ 4.35Å; G134-F328 VanDerWaalsContact C-CD2 3.44Å; G134-F328 VanDerWaalsContact CA-CE2 3.48Å; P135-F328 HydrophobicContact CB-CB 3.96Å; P135-F328 HydrophobicContact CB-CD2 4.1Å; P135-F328 HydrophobicContact CB-CG 4.33Å; P135-F328 VanDerWaalsContact CD-CG 3.48Å; P135-F328 HydrophobicContact CG-CB 3.45Å; P135-F328 VanDerWaalsContact CG-CB 3.45Å; P135-F328 HydrophobicContact CG-CD2 4.16Å; P135-F328 HydrophobicContact CG-CG 3.93Å; P135-F328 VanDerWaalsContact N-CD2 3.26Å; F142-F328 HydrophobicContact CB-CB 4.48Å; F142-F328 HydrophobicContact CB-CD2 3.37Å; F142-F328 HydrophobicContact CB-CE2 3.65Å; F142-F328 HydrophobicContact CB-CG 3.99Å; F142-F328 HydrophobicContact CB-CZ 4.46Å; F142-F328 HydrophobicContact CD1-CE2 4.22Å; F142-F328 HydrophobicContact CD1-CZ 4.25Å; F142-F328 HydrophobicContact CD2-CD2 4.36Å; F142-F328 AromaticContact CD2-CE2 3.74Å; F142-F328 HydrophobicContact CD2-CE2 3.74Å; F142-F328 HydrophobicContact CD2-CZ 4.27Å; F142-F328 HydrophobicContact CE2-CE2 4.4Å; F142-F328 AromaticContact CG-CD2 3.91Å; F142-F328 HydrophobicContact CG-CD2 3.91Å; F142-F328 AromaticContact CG-CE2 3.64Å; F142-F328 HydrophobicContact CG-CE2 3.64Å; F142-F328 HydrophobicContact CG-CZ 4.11Å; Y152-F328 HydrophobicContact CE1-CE2 4.43Å; E226-F328 PolarHBondContact O-N 2.67Å; H227-F328 WeakPolarHBondContact CA-O 3.41Å; G228-F328 PolarHBondContact N-O 3.49Å; F259-F328 HydrophobicContact CE1-CE1 4.35Å; F259-F328 HydrophobicContact CE1-CZ 4.34Å; F259-F328 HydrophobicContact CZ-CZ 4.42Å; T326-F328 PolarHBondContact O-N 2.73Å; F328-V330 HydrophobicContact CD1-CG1 4Å; F328-V330 HydrophobicContact CE1-CG1 3.45Å; F328-V330 VanDerWaalsContact CE1-CG1 3.45Å; F328-V330 HydrophobicContact CZ-CG1 4.19Å
329T93.3Very high93.6Very high3 Ų330.4 Ų30.42%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-122.8140.4-178.456.60000109.3F142 R145 G146 E226 Y266 T327F142-T329 WeakPolarHBondContact CD1-O 3.22Å; R145-T329 CarbonylContact C-O 3.55Å; R145-T329 VanDerWaalsContact CA-O 3.29Å; R145-T329 WeakPolarHBondContact CA-O 3.49Å; R145-T329 WeakPolarHBondContact CA-OG1 3.22Å; R145-T329 PolarHBondContact N-OG1 3.45Å; G146-T329 PolarHBondContact N-O 2.96Å; G146-T329 VanDerWaalsContact N-O 3.13Å; E226-T329 HydrophobicContact CB-CG2 3.64Å; Y266-T329 HydrophobicContact CD1-CG2 3.37Å; Y266-T329 HydrophobicContact CE1-CG2 3.63Å; Y266-T329 HydrophobicContact CG-CG2 3.95Å; T327-T329 HydrophobicContact CG2-CG2 4.13Å
330V94.3Very high93.9Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-132.4150.5-173.4-56.10000112.2F142 G146 T193 F259 Y261 Y266 F328F142-V330 HydrophobicContact CD1-CG1 4.18Å; F142-V330 HydrophobicContact CE1-CG1 3.98Å; G146-V330 CarbonylContact O-C 3.57Å; G146-V330 WeakPolarHBondContact O-CA 3.23Å; T193-V330 HydrophobicContact CG2-CG2 3.41Å; T193-V330 VanDerWaalsContact CG2-CG2 3.41Å; F259-V330 HydrophobicContact CB-CB 4.29Å; F259-V330 HydrophobicContact CB-CG2 4.01Å; F259-V330 HydrophobicContact CD1-CB 4.31Å; F259-V330 HydrophobicContact CD1-CG1 3.97Å; F259-V330 HydrophobicContact CD1-CG2 4.29Å; F259-V330 HydrophobicContact CD2-CB 4.31Å; F259-V330 HydrophobicContact CD2-CG1 4.35Å; F259-V330 HydrophobicContact CE1-CG1 4Å; F259-V330 HydrophobicContact CE2-CG1 4.37Å; F259-V330 HydrophobicContact CG-CB 4.06Å; F259-V330 HydrophobicContact CG-CG1 4.14Å; F259-V330 HydrophobicContact CG-CG2 4.18Å; F259-V330 HydrophobicContact CZ-CG1 4.2Å; Y261-V330 WeakPolarHBondContact CD1-O 3.43Å; Y261-V330 HydrophobicContact CG-CG2 4.41Å; Y266-V330 PolarHBondContact OH-O 3.36Å; F328-V330 HydrophobicContact CD1-CG1 4Å; F328-V330 HydrophobicContact CE1-CG1 3.45Å; F328-V330 VanDerWaalsContact CE1-CG1 3.45Å; F328-V330 HydrophobicContact CZ-CG1 4.19Å
331Q92.8Very high94.1Very high82 Ų8236.9 Ų36.938%0.38318%0.182SC..  trans-97.5152.8166.4-76.4173.9-8.900110.8R145 G146R145-Q331 HydrophobicContact CB-CG 3.84Å; R145-Q331 VanDerWaalsContact O-CD 3.32Å; R145-Q331 WeakPolarHBondContact O-CG 3.23Å; G146-Q331 PolarHBondContact O-N 2.84Å
332T93.6Very high94.4Very high17 Ų1740.3 Ų40.310%0.10420%0.197CC..  trans-109.526.6176.3-47.40000110.7M238 F259 Y261 K334 A335 Q336 Y341M238-T332 HydrophobicContact CE-CG2 3.94Å; M238-T332 HydrophobicContact SD-CG2 4.49Å; F259-T332 VanDerWaalsContact O-CG2 3.28Å; F259-T332 WeakPolarHBondContact O-CG2 3.48Å; Y261-T332 WeakPolarHBondContact CA-OG1 3.3Å; Y261-T332 WeakPolarHBondContact CB-OG1 3.19Å; Y261-T332 PolarHBondContact N-OG1 3.05Å; Y261-T332 VanDerWaalsContact N-OG1 3.1Å; Y261-T332 PolarHBondContact O-OG1 2.85Å; T332-K334 VanDerWaalsContact C-N 3.32Å; T332-K334 PolarHBondContact O-N 3.18Å; T332-A335 HydrophobicContact CG2-CB 3.64Å; T332-A335 PolarHBondContact O-N 3.44Å; T332-Q336 PolarHBondContact O-N 2.86Å; T332-Q336 VanDerWaalsContact O-N 3.09Å; T332-Y341 HydrophobicContact CG2-CD1 3.46Å; T332-Y341 VanDerWaalsContact CG2-CD1 3.46Å; T332-Y341 HydrophobicContact CG2-CE1 3.79Å; T332-Y341 HydrophobicContact CG2-CG 4.33Å
333D94Very high94.7Very high35 Ų3540.7 Ų40.719%0.18720%0.197CC..Hα-helixtrans-64.2-36.4-171.973.2-72.6000112.1N147 Q336 R337N147-D333 VanDerWaalsContact CB-OD1 3.26Å; N147-D333 WeakPolarHBondContact CB-OD1 3.34Å; N147-D333 PolarHBondContact ND2-OD1 2.77Å; D333-Q336 WeakPolarHBondContact O-CB 3.25Å; D333-Q336 PolarHBondContact O-N 3.43Å; D333-R337 WeakPolarHBondContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 2.82Å; D333-R337 PolarHBondContact O-NE 3.39Å; D333-R337 IonicContact OD2-CZ 2.67Å; D333-R337 IonicContact OD2-NE 2.76Å; D333-R337 PolarHBondContact OD2-NE 3.44Å; D333-R337 IonicContact OD2-NH2 2.63Å; D333-R337 PolarHBondContact OD2-NH2 2.84Å
334K96.8Very high95Very high13 Ų1342.1 Ų42.16%0.05720%0.204CC..Hα-helixtrans-62.7-46.3178.3-170.5-172.6178178.80111.6E148 E256 A257 F258 T332 R337 Y338E148-K334 HydrophobicContact CB-CD 4.06Å; E148-K334 HydrophobicContact CG-CD 3.88Å; E148-K334 WeakPolarHBondContact OE2-CB 3.38Å; E148-K334 WeakPolarHBondContact OE2-CD 3.23Å; E256-K334 WeakPolarHBondContact OE2-CE 3.15Å; E256-K334 IonicContact OE2-NZ 3.18Å; E256-K334 PolarHBondContact OE2-NZ 3.23Å; A257-K334 PolarHBondContact O-NZ 3.01Å; F258-K334 HydrophobicContact CD1-CB 4.27Å; F258-K334 HydrophobicContact CD1-CD 3.82Å; F258-K334 HydrophobicContact CD1-CG 3.88Å; F258-K334 HydrophobicContact CE1-CD 3.81Å; F258-K334 HydrophobicContact CE1-CG 3.75Å; T332-K334 VanDerWaalsContact C-N 3.32Å; T332-K334 PolarHBondContact O-N 3.18Å; K334-R337 PolarHBondContact O-N 3.45Å; K334-Y338 HydrophobicContact CG-CD1 4.11Å; K334-Y338 HydrophobicContact CG-CD2 4.49Å; K334-Y338 HydrophobicContact CG-CE1 4.06Å; K334-Y338 HydrophobicContact CG-CE2 4.42Å; K334-Y338 HydrophobicContact CG-CG 4.36Å; K334-Y338 VanDerWaalsContact O-CB 3.24Å; K334-Y338 WeakPolarHBondContact O-CB 3.43Å; K334-Y338 WeakPolarHBondContact O-CD1 3.47Å; K334-Y338 PolarHBondContact O-N 3.24Å
335A97.4Very high95.4Very high0 Ų042.2 Ų42.20%020%0.201CC..Hα-helixtrans-65.7-37.9176.500000112.7M238 F258 T332 R337 Y338 F339 Q340 Y341M238-A335 HydrophobicContact CE-CB 3.23Å; F258-A335 HydrophobicContact CB-CB 4.41Å; F258-A335 HydrophobicContact CD1-CB 4.09Å; T332-A335 HydrophobicContact CG2-CB 3.64Å; T332-A335 PolarHBondContact O-N 3.44Å; A335-R337 VanDerWaalsContact C-N 3.34Å; A335-R337 PolarHBondContact O-N 3.42Å; A335-Y338 PolarHBondContact O-N 3.37Å; A335-F339 HydrophobicContact CB-CE1 3.85Å; A335-F339 HydrophobicContact CB-CE2 3.73Å; A335-F339 HydrophobicContact CB-CZ 3.34Å; A335-F339 CarbonylContact O-C 3.57Å; A335-F339 PolarHBondContact O-N 3.27Å; A335-Q340 PolarHBondContact O-N 2.87Å; A335-Y341 PolarHBondContact O-N 2.91Å
336Q96.6Very high95.7Very high103 Ų10344.1 Ų44.148%0.48121%0.207SC..Hα-helixtrans-59.6-45172-172.1-177.420.900111.2T332 D333 Q340 Q342T332-Q336 PolarHBondContact O-N 2.86Å; T332-Q336 VanDerWaalsContact O-N 3.09Å; D333-Q336 WeakPolarHBondContact O-CB 3.25Å; D333-Q336 PolarHBondContact O-N 3.43Å; Q336-Q340 WeakPolarHBondContact O-CA 3.48Å; Q336-Q340 PolarHBondContact O-N 2.88Å; Q336-Q342 VanDerWaalsContact NE2-NE2 3.19Å
337R96.5Very high96Very high133 Ų13346.3 Ų46.350%0.50222%0.215SC..Hα-helixtrans-69.7-35.9178.3-71.7-178.5-68.9120.4-6.8113.3D333 K334 A335D333-R337 WeakPolarHBondContact O-CB 3.3Å; D333-R337 WeakPolarHBondContact O-CG 3.37Å; D333-R337 PolarHBondContact O-N 2.82Å; D333-R337 PolarHBondContact O-NE 3.39Å; D333-R337 IonicContact OD2-CZ 2.67Å; D333-R337 IonicContact OD2-NE 2.76Å; D333-R337 PolarHBondContact OD2-NE 3.44Å; D333-R337 IonicContact OD2-NH2 2.63Å; D333-R337 PolarHBondContact OD2-NH2 2.84Å; K334-R337 PolarHBondContact O-N 3.45Å; A335-R337 VanDerWaalsContact C-N 3.34Å; A335-R337 PolarHBondContact O-N 3.42Å
338Y97.4Very high96.2Very high62 Ų6249 Ų4924%0.24324%0.235CC..Hα-helixtrans-89.8-36.6-168.7-80.237.5000112.3N249 K252 E256 F258 K334 A335N249-Y338 PolarHBondContact ND2-O 2.88Å; K252-Y338 HydrophobicContact CB-CD2 3.82Å; K252-Y338 HydrophobicContact CB-CE2 4.17Å; K252-Y338 HydrophobicContact CB-CG 4.28Å; K252-Y338 WeakPolarHBondContact O-CD2 3.33Å; K252-Y338 WeakPolarHBondContact O-CE2 3.48Å; E256-Y338 HydrophobicContact CG-CE2 4.39Å; F258-Y338 AromaticContact CE1-CD2 3.64Å; F258-Y338 HydrophobicContact CE1-CD2 3.64Å; F258-Y338 HydrophobicContact CE1-CE2 4.38Å; F258-Y338 AromaticContact CE1-CG 3.95Å; F258-Y338 HydrophobicContact CE1-CG 3.95Å; F258-Y338 AromaticContact CZ-CD2 3.76Å; F258-Y338 HydrophobicContact CZ-CD2 3.76Å; F258-Y338 HydrophobicContact CZ-CE2 4.47Å; F258-Y338 HydrophobicContact CZ-CG 4.43Å; K334-Y338 HydrophobicContact CG-CD1 4.11Å; K334-Y338 HydrophobicContact CG-CD2 4.49Å; K334-Y338 HydrophobicContact CG-CE1 4.06Å; K334-Y338 HydrophobicContact CG-CE2 4.42Å; K334-Y338 HydrophobicContact CG-CG 4.36Å; K334-Y338 VanDerWaalsContact O-CB 3.24Å; K334-Y338 WeakPolarHBondContact O-CB 3.43Å; K334-Y338 WeakPolarHBondContact O-CD1 3.47Å; K334-Y338 PolarHBondContact O-N 3.24Å; A335-Y338 PolarHBondContact O-N 3.37Å
339F97.1Very high96.4Very high16 Ų1653 Ų537%0.0725%0.254CS..Hα-helixtrans-144.925.5-178.352.7-97.3000113.4M238 L241 A245 V253 F258 A335 Y341M238-F339 HydrophobicContact CE-CE2 3.92Å; M238-F339 HydrophobicContact CE-CZ 3.56Å; M238-F339 HydrophobicContact CG-CE2 3.94Å; M238-F339 HydrophobicContact CG-CZ 4.26Å; L241-F339 HydrophobicContact CB-CD2 3.92Å; L241-F339 HydrophobicContact CB-CE2 4.36Å; A245-F339 HydrophobicContact CB-CB 3.43Å; A245-F339 VanDerWaalsContact CB-CB 3.43Å; A245-F339 HydrophobicContact CB-CD1 4.47Å; A245-F339 HydrophobicContact CB-CG 4.18Å; V253-F339 HydrophobicContact CG1-CD1 4.42Å; V253-F339 HydrophobicContact CG2-CD1 3.98Å; F258-F339 HydrophobicContact CB-CZ 4.5Å; F258-F339 AromaticContact CD1-CE1 3.7Å; F258-F339 HydrophobicContact CD1-CE1 3.7Å; F258-F339 HydrophobicContact CD1-CZ 4.26Å; F258-F339 AromaticContact CD2-CE1 3.99Å; F258-F339 HydrophobicContact CD2-CE1 3.99Å; F258-F339 HydrophobicContact CD2-CZ 4.47Å; F258-F339 HydrophobicContact CE1-CD1 4.36Å; F258-F339 AromaticContact CE1-CE1 3.7Å; F258-F339 HydrophobicContact CE1-CE1 3.7Å; F258-F339 HydrophobicContact CE2-CE1 4.02Å; F258-F339 AromaticContact CG-CE1 3.84Å; F258-F339 HydrophobicContact CG-CE1 3.84Å; F258-F339 HydrophobicContact CG-CZ 4.15Å; F258-F339 HydrophobicContact CZ-CD1 4.46Å; F258-F339 AromaticContact CZ-CE1 3.88Å; F258-F339 HydrophobicContact CZ-CE1 3.88Å; A335-F339 HydrophobicContact CB-CE1 3.85Å; A335-F339 HydrophobicContact CB-CE2 3.73Å; A335-F339 HydrophobicContact CB-CZ 3.34Å; A335-F339 CarbonylContact O-C 3.57Å; A335-F339 PolarHBondContact O-N 3.27Å; F339-Y341 PolarHBondContact O-N 3.41Å; F339-Y341 VanDerWaalsContact O-N 3.15Å
340Q96.9Very high96.7Very high163 Ų16352.9 Ų52.976%0.76225%0.253SS*.  trans56.434.6170.5-58.1177.9-0.700113.1A335 Q336 Q342A335-Q340 PolarHBondContact O-N 2.87Å; Q336-Q340 WeakPolarHBondContact O-CA 3.48Å; Q336-Q340 PolarHBondContact O-N 2.88Å; Q340-Q342 PolarHBondContact O-N 3.48Å
341Y97.7Very high96.8Very high6 Ų654.2 Ų54.22%0.02426%0.26CS..  trans-56.8127.2176176.5-100.6000110.9M238 L241 Y261 T332 A335 F339M238-Y341 HydrophobicContact CB-CD2 3.8Å; M238-Y341 HydrophobicContact CB-CE2 3.55Å; M238-Y341 HydrophobicContact CE-CG 4.45Å; M238-Y341 HydrophobicContact CG-CD2 3.6Å; M238-Y341 HydrophobicContact CG-CE2 3.78Å; M238-Y341 HydrophobicContact CG-CG 4.26Å; M238-Y341 HydrophobicContact SD-CD2 4.03Å; M238-Y341 HydrophobicContact SD-CE1 4.44Å; M238-Y341 HydrophobicContact SD-CE2 3.99Å; M238-Y341 HydrophobicContact SD-CG 4.28Å; L241-Y341 HydrophobicContact CD1-CD2 3.98Å; Y261-Y341 WeakPolarHBondContact O-CE1 3.29Å; T332-Y341 HydrophobicContact CG2-CD1 3.46Å; T332-Y341 VanDerWaalsContact CG2-CD1 3.46Å; T332-Y341 HydrophobicContact CG2-CE1 3.79Å; T332-Y341 HydrophobicContact CG2-CG 4.33Å; A335-Y341 PolarHBondContact O-N 2.91Å; F339-Y341 PolarHBondContact O-N 3.41Å; F339-Y341 VanDerWaalsContact O-N 3.15Å
342Q97Very high97Very high94 Ų9452.7 Ų52.744%0.43926%0.261SS..  trans-136.3142.4165.3-68.2-64.5-64.700106.8W237 Q336 Q340 L344W237-Q342 VanDerWaalsContact CD1-O 3.23Å; W237-Q342 PolarHBondContact NE1-O 3.43Å; W237-Q342 VanDerWaalsContact NE1-O 3.1Å; Q336-Q342 VanDerWaalsContact NE2-NE2 3.19Å; Q340-Q342 PolarHBondContact O-N 3.48Å; Q342-L344 PolarHBondContact O-N 2.93Å
343P97.5Very high97.2Very high35 Ų3557.1 Ų57.123%0.22728%0.276CS..  trans-52.2136.6174.9-26.636.5000111.1D262 Y345D262-P343 HydrophobicContact CB-CB 4.05Å; D262-P343 HydrophobicContact CB-CG 3.84Å; P343-Y345 VanDerWaalsContact C-N 3.34Å
344L98Very high97.3Very high41 Ų4155.5 Ų55.522%0.21527%0.267CS..SBendtrans-74.2-33.9174.3177.158.1000111.1V27 K31 N234 W237 Q342V27-L344 HydrophobicContact CG1-CD2 4.4Å; V27-L344 HydrophobicContact CG2-CD2 4.47Å; K31-L344 VanDerWaalsContact CE-CD1 3.48Å; K31-L344 HydrophobicContact CG-CD2 4.27Å; N234-L344 PolarHBondContact OD1-N 3.25Å; W237-L344 HydrophobicContact CB-CB 3.87Å; W237-L344 HydrophobicContact CB-CD2 4.18Å; W237-L344 HydrophobicContact CD2-CB 4.37Å; W237-L344 HydrophobicContact CG-CB 3.67Å; W237-L344 HydrophobicContact CG-CD2 4.29Å; Q342-L344 PolarHBondContact O-N 2.93Å
345Y98.2Very high97.3Very high22 Ų2255.5 Ų55.59%0.08627%0.268CS..SBendtrans-120.2130.3177.9-52.3-74.3000109.2Y231 N234 P343 Q349 C350Y231-Y345 AromaticContact CD1-CD2 3.77Å; Y231-Y345 HydrophobicContact CD1-CD2 3.77Å; Y231-Y345 HydrophobicContact CD1-CG 4.38Å; Y231-Y345 AromaticContact CE1-CD2 3.52Å; Y231-Y345 HydrophobicContact CE1-CD2 3.52Å; Y231-Y345 AromaticContact CE1-CE2 3.98Å; Y231-Y345 HydrophobicContact CE1-CE2 3.98Å; Y231-Y345 HydrophobicContact CE1-CG 4.12Å; N234-Y345 PolarHBondContact ND2-O 3.06Å; N234-Y345 PolarHBondContact OD1-N 3.22Å; P343-Y345 VanDerWaalsContact C-N 3.34Å; Y345-Q349 VanDerWaalsContact CA-OE1 3.3Å; Y345-C350 VanDerWaalsContact CB-SG 3.53Å; Y345-C350 PolarHBondContact O-SG 3.42Å
346D97.8Very high97.2Very high80 Ų8058.4 Ų58.443%0.42829%0.288SS..  trans-73.1169.8172.867.649.1000111.6S348 Q349 C350D346-S348 VanDerWaalsContact C-N 3.26Å; D346-S348 PolarHBondContact O-N 3.45Å; D346-S348 WeakPolarHBondContact OD1-CA 3.44Å; D346-S348 WeakPolarHBondContact OD1-CB 3.39Å; D346-S348 PolarHBondContact OD1-N 2.86Å; D346-S348 PolarHBondContact OD1-OG 2.93Å; D346-Q349 PolarHBondContact O-N 3.24Å; D346-Q349 WeakPolarHBondContact OD1-CG 3.45Å; D346-Q349 PolarHBondContact OD1-N 3.01Å; D346-C350 PolarHBondContact O-N 2.93Å; D346-C350 PolarHBondContact O-SG 3.47Å
347W97.1Very high97.2Very high50 Ų5055.1 Ų55.119%0.18927%0.271CS..Hα-helixtrans-53.4-42.2-179.5172.9-121.4000113.1Y196 P265 F272 E275 L276 Q349 C350 L351Y196-W347 HydrophobicContact CE1-CZ3 4.36Å; Y196-W347 HydrophobicContact CE2-CZ3 4.09Å; Y196-W347 AromaticContact CZ-CZ3 3.64Å; Y196-W347 WeakPolarHBondContact OH-CZ3 3.2Å; P265-W347 VanDerWaalsContact CD-CE2 3.42Å; P265-W347 VanDerWaalsContact CD-CE3 3.45Å; P265-W347 HydrophobicContact CG-CD2 3.91Å; P265-W347 HydrophobicContact CG-CG 4.18Å; P265-W347 HydrophobicContact CG-CZ2 4.01Å; F272-W347 HydrophobicContact CD2-CH2 4.49Å; F272-W347 HydrophobicContact CE1-CH2 4.34Å; F272-W347 AromaticContact CE2-CH2 3.65Å; F272-W347 HydrophobicContact CE2-CH2 3.65Å; F272-W347 AromaticContact CE2-CZ3 3.74Å; F272-W347 HydrophobicContact CE2-CZ3 3.74Å; F272-W347 AromaticContact CZ-CH2 3.58Å; F272-W347 HydrophobicContact CZ-CH2 3.58Å; F272-W347 AromaticContact CZ-CZ3 3.52Å; F272-W347 HydrophobicContact CZ-CZ3 3.52Å; E275-W347 VanDerWaalsContact CD-CZ2 3.46Å; E275-W347 HydrophobicContact CG-CZ2 3.95Å; E275-W347 WeakPolarHBondContact OE1-CZ2 2.99Å; E275-W347 PolarHBondContact OE1-NE1 3.5Å; L276-W347 HydrophobicContact CD2-CH2 4.24Å; W347-Q349 PolarHBondContact O-N 3.26Å; W347-C350 PolarHBondContact O-N 2.96Å; W347-L351 HydrophobicContact CH2-CD1 4.4Å; W347-L351 HydrophobicContact CZ2-CB 4.28Å; W347-L351 HydrophobicContact CZ2-CD1 4.13Å; W347-L351 HydrophobicContact CZ2-CD2 4.28Å; W347-L351 HydrophobicContact CZ2-CG 4.47Å; W347-L351 VanDerWaalsContact O-CB 3.31Å; W347-L351 WeakPolarHBondContact O-CB 3.4Å; W347-L351 PolarHBondContact O-N 2.91Å
348S97.3Very high97.1Very high75 Ų7548.8 Ų48.852%0.52425%0.247SC..Hα-helixtrans-66.1-41.1-17775.70000111.7D346 A352D346-S348 VanDerWaalsContact C-N 3.26Å; D346-S348 PolarHBondContact O-N 3.45Å; D346-S348 WeakPolarHBondContact OD1-CA 3.44Å; D346-S348 WeakPolarHBondContact OD1-CB 3.39Å; D346-S348 PolarHBondContact OD1-N 2.86Å; D346-S348 PolarHBondContact OD1-OG 2.93Å; S348-A352 WeakPolarHBondContact O-CB 3.23Å; S348-A352 PolarHBondContact O-N 3.05Å
349Q97.9Very high96.9Very high84 Ų8452.1 Ų52.139%0.39326%0.26SS..Hα-helixtrans-67-44175.7-66.9174.4-35.200111.1Y345 D346 W347 L351 A352 R353Y345-Q349 VanDerWaalsContact CA-OE1 3.3Å; D346-Q349 PolarHBondContact O-N 3.24Å; D346-Q349 WeakPolarHBondContact OD1-CG 3.45Å; D346-Q349 PolarHBondContact OD1-N 3.01Å; W347-Q349 PolarHBondContact O-N 3.26Å; Q349-L351 PolarHBondContact O-N 3.44Å; Q349-A352 PolarHBondContact O-N 2.83Å; Q349-R353 VanDerWaalsContact O-CB 3.28Å; Q349-R353 WeakPolarHBondContact O-CB 3.23Å; Q349-R353 VanDerWaalsContact O-CG 3.27Å; Q349-R353 WeakPolarHBondContact O-CG 3.47Å; Q349-R353 PolarHBondContact O-N 2.8Å
350C97.9Very high96.8Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-61.2-44.3177.7-63.30000111.8Y196 Y231 Y345 D346 W347 T354Y196-C350 HydrophobicContact CE2-CB 4.19Å; Y196-C350 WeakPolarHBondContact OH-CB 3.36Å; Y231-C350 WeakPolarHBondContact CB-SG 3.41Å; Y231-C350 HydrophobicContact CD1-CB 4.31Å; Y231-C350 WeakPolarHBondContact CD1-SG 3.44Å; Y231-C350 HydrophobicContact CD2-CB 4.03Å; Y231-C350 HydrophobicContact CG-CB 3.87Å; Y345-C350 VanDerWaalsContact CB-SG 3.53Å; Y345-C350 PolarHBondContact O-SG 3.42Å; D346-C350 PolarHBondContact O-N 2.93Å; D346-C350 PolarHBondContact O-SG 3.47Å; W347-C350 PolarHBondContact O-N 2.96Å; C350-T354 WeakPolarHBondContact O-CB 3.39Å; C350-T354 PolarHBondContact O-N 2.95Å; C350-T354 PolarHBondContact O-OG1 2.97Å
351L97.1Very high96.5Very high28 Ų2848.6 Ų48.615%0.14725%0.25CC..Hα-helixtrans-62.2-51.7177.5179.661.7000110.8E275 L276 W347 Q349 R353 T354 Q355E275-L351 HydrophobicContact CG-CD1 4.45Å; L276-L351 HydrophobicContact CD2-CD1 3.77Å; W347-L351 HydrophobicContact CH2-CD1 4.4Å; W347-L351 HydrophobicContact CZ2-CB 4.28Å; W347-L351 HydrophobicContact CZ2-CD1 4.13Å; W347-L351 HydrophobicContact CZ2-CD2 4.28Å; W347-L351 HydrophobicContact CZ2-CG 4.47Å; W347-L351 VanDerWaalsContact O-CB 3.31Å; W347-L351 WeakPolarHBondContact O-CB 3.4Å; W347-L351 PolarHBondContact O-N 2.91Å; Q349-L351 PolarHBondContact O-N 3.44Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 2.92Å; L351-T354 PolarHBondContact O-N 3.46Å; L351-Q355 HydrophobicContact CD1-CG 4.15Å; L351-Q355 WeakPolarHBondContact O-CB 3.47Å; L351-Q355 WeakPolarHBondContact O-CG 3.5Å; L351-Q355 PolarHBondContact O-N 3.12Å
352A97.3Very high95.6Very high50 Ų5052.8 Ų52.841%0.41328%0.278SS..Hα-helixtrans-60.5-42.4-178.600000112.7S348 Q349 S356S348-A352 WeakPolarHBondContact O-CB 3.23Å; S348-A352 PolarHBondContact O-N 3.05Å; Q349-A352 PolarHBondContact O-N 2.83Å; A352-S356 VanDerWaalsContact O-CB 3.28Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 3.36Å
353R97.5Very high93.8Very high109 Ų10951.9 Ų51.941%0.41129%0.287SS..Hα-helixtrans-61.6-48.1175.3-81.4176.6177.5-95.71112.1E198 Y231 Q349 L351 S356 W357E198-R353 WeakPolarHBondContact OE1-CB 3.19Å; Y231-R353 WeakPolarHBondContact OH-CD 3.27Å; Q349-R353 VanDerWaalsContact O-CB 3.28Å; Q349-R353 WeakPolarHBondContact O-CB 3.23Å; Q349-R353 VanDerWaalsContact O-CG 3.27Å; Q349-R353 WeakPolarHBondContact O-CG 3.47Å; Q349-R353 PolarHBondContact O-N 2.8Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 2.92Å; R353-S356 PolarHBondContact O-N 3.36Å; R353-W357 PolarHBondContact O-N 3.5Å; R353-W357 VanDerWaalsContact O-N 3.12Å
354T97Very high91.4Very high1 Ų155.9 Ų55.91%0.00631%0.306CS..Hα-helixtrans-63.2-45.5178.8-55.30000111.2Y196 L276 C350 L351 W357 I358Y196-T354 HydrophobicContact CD2-CG2 4.43Å; L276-T354 HydrophobicContact CD1-CG2 4.21Å; L276-T354 HydrophobicContact CD2-CG2 3.96Å; C350-T354 WeakPolarHBondContact O-CB 3.39Å; C350-T354 PolarHBondContact O-N 2.95Å; C350-T354 PolarHBondContact O-OG1 2.97Å; L351-T354 PolarHBondContact O-N 3.46Å; T354-W357 PolarHBondContact O-N 2.87Å; T354-I358 HydrophobicContact CG2-CD1 4.03Å; T354-I358 VanDerWaalsContact O-CG1 3.32Å; T354-I358 WeakPolarHBondContact O-CG1 3.48Å; T354-I358 PolarHBondContact O-N 2.79Å
355Q96.1Very high88.6Confident13 Ų1363.1 Ų63.16%0.06134%0.336CS..Hα-helixtrans-62.2-44.7176.9-77.7174.4-24.800112.1E275 L276 S278 E279 L351 W357 I358 R359E275-Q355 PolarHBondContact O-NE2 3.26Å; L276-Q355 VanDerWaalsContact O-CG 3.28Å; L276-Q355 WeakPolarHBondContact O-CG 3.33Å; S278-Q355 PolarHBondContact OG-NE2 3.36Å; S278-Q355 VanDerWaalsContact OG-NE2 3.12Å; E279-Q355 HydrophobicContact CG-CG 4.5Å; E279-Q355 PolarHBondContact OE1-OE1 3.22Å; L351-Q355 HydrophobicContact CD1-CG 4.15Å; L351-Q355 WeakPolarHBondContact O-CB 3.47Å; L351-Q355 WeakPolarHBondContact O-CG 3.5Å; L351-Q355 PolarHBondContact O-N 3.12Å; Q355-W357 PolarHBondContact O-N 3.2Å; Q355-I358 PolarHBondContact O-N 3.39Å; Q355-R359 WeakPolarHBondContact O-CG 3.26Å; Q355-R359 PolarHBondContact O-N 2.82Å
356S96.2Very high85.7Confident61 Ų6169.7 Ų69.743%0.42737%0.367SS..Hα-helixtrans-55.3-41.2175.6-1710000112.1A352 R353 R359A352-S356 VanDerWaalsContact O-CB 3.28Å; A352-S356 WeakPolarHBondContact O-CB 3.37Å; A352-S356 PolarHBondContact O-N 3.36Å; R353-S356 PolarHBondContact O-N 3.36Å; S356-R359 WeakPolarHBondContact O-CB 3.32Å; S356-R359 PolarHBondContact O-N 2.86Å
357W95.5Very high82.8Confident34 Ų3475.3 Ų75.313%0.12939%0.388CS..Hα-helixtrans-67.9-41.6173.7168.868.2000113.4G197 E198 G199 H200 M203 R353 T354 Q355 R359 T360 F361G197-W357 WeakPolarHBondContact O-CZ3 3.31Å; E198-W357 HydrophobicContact CB-CB 3.99Å; E198-W357 HydrophobicContact CB-CD2 4.15Å; E198-W357 HydrophobicContact CB-CG 3.82Å; E198-W357 HydrophobicContact CG-CB 3.46Å; E198-W357 VanDerWaalsContact CG-CB 3.46Å; E198-W357 HydrophobicContact CG-CD2 4.48Å; E198-W357 HydrophobicContact CG-CG 3.89Å; G199-W357 VanDerWaalsContact CA-CZ2 3.44Å; H200-W357 HydrophobicContact CB-CH2 4.27Å; H200-W357 HydrophobicContact CB-CZ3 4.48Å; H200-W357 VanDerWaalsContact N-CH2 3.3Å; H200-W357 WeakPolarHBondContact O-CH2 3.49Å; M203-W357 HydrophobicContact CB-CH2 4.41Å; M203-W357 HydrophobicContact CB-CZ3 4.22Å; M203-W357 HydrophobicContact CG-CZ3 4.16Å; R353-W357 PolarHBondContact O-N 3.5Å; R353-W357 VanDerWaalsContact O-N 3.12Å; T354-W357 PolarHBondContact O-N 2.87Å; Q355-W357 PolarHBondContact O-N 3.2Å; W357-R359 PolarHBondContact O-N 2.95Å; W357-T360 PolarHBondContact O-N 3.45Å; W357-T360 PolarHBondContact O-OG1 3.26Å; W357-F361 AromaticContact CD2-CE1 3.88Å; W357-F361 HydrophobicContact CD2-CE1 3.88Å; W357-F361 AromaticContact CD2-CZ 3.99Å; W357-F361 HydrophobicContact CD2-CZ 3.99Å; W357-F361 AromaticContact CE2-CE1 3.47Å; W357-F361 VanDerWaalsContact CE2-CE1 3.47Å; W357-F361 AromaticContact CE2-CZ 3.74Å; W357-F361 HydrophobicContact CE3-CE1 4.33Å; W357-F361 AromaticContact CE3-CZ 3.96Å; W357-F361 HydrophobicContact CE3-CZ 3.96Å; W357-F361 HydrophobicContact CG-CE1 4.46Å; W357-F361 HydrophobicContact CH2-CE1 4.07Å; W357-F361 AromaticContact CH2-CZ 3.48Å; W357-F361 HydrophobicContact CH2-CZ 3.48Å; W357-F361 VanDerWaalsContact CH2-CZ 3.48Å; W357-F361 AromaticContact CZ2-CE1 3.57Å; W357-F361 HydrophobicContact CZ2-CE1 3.57Å; W357-F361 AromaticContact CZ2-CZ 3.48Å; W357-F361 HydrophobicContact CZ2-CZ 3.48Å; W357-F361 VanDerWaalsContact CZ2-CZ 3.48Å; W357-F361 HydrophobicContact CZ3-CE1 4.42Å; W357-F361 AromaticContact CZ3-CZ 3.73Å; W357-F361 HydrophobicContact CZ3-CZ 3.73Å; W357-F361 AromaticContact NE1-CE1 3.84Å
358I94.8Very high80Confident0 Ų080.1 Ų80.10%042%0.417CS..Hα-helixtrans-63.1-34.4177.3-61.5165.4000110.5M203 Y207 L276 L277 F280 T354 Q355 T360 F361M203-I358 HydrophobicContact CG-CD1 4.18Å; Y207-I358 HydrophobicContact CD2-CG2 3.63Å; Y207-I358 HydrophobicContact CE2-CG2 3.9Å; Y207-I358 HydrophobicContact CG-CG2 4.43Å; L276-I358 HydrophobicContact CB-CD1 4.37Å; L277-I358 HydrophobicContact CD2-CD1 4.19Å; L277-I358 HydrophobicContact CD2-CG2 4.13Å; F280-I358 HydrophobicContact CD2-CG2 4.28Å; F280-I358 HydrophobicContact CE1-CG2 4.27Å; F280-I358 HydrophobicContact CE2-CB 3.96Å; F280-I358 HydrophobicContact CE2-CG2 3.35Å; F280-I358 HydrophobicContact CZ-CB 3.95Å; F280-I358 HydrophobicContact CZ-CG2 3.35Å; T354-I358 HydrophobicContact CG2-CD1 4.03Å; T354-I358 VanDerWaalsContact O-CG1 3.32Å; T354-I358 WeakPolarHBondContact O-CG1 3.48Å; T354-I358 PolarHBondContact O-N 2.79Å; Q355-I358 PolarHBondContact O-N 3.39Å; I358-T360 PolarHBondContact O-N 3.08Å; I358-T360 VanDerWaalsContact O-N 3.12Å; I358-F361 HydrophobicContact CB-CD2 4.49Å; I358-F361 HydrophobicContact CB-CE2 4.24Å; I358-F361 HydrophobicContact CB-CZ 4.45Å; I358-F361 HydrophobicContact CG1-CE2 4.13Å; I358-F361 HydrophobicContact CG1-CZ 4.17Å; I358-F361 HydrophobicContact CG2-CD2 3.84Å; I358-F361 HydrophobicContact CG2-CE2 3.85Å; I358-F361 VanDerWaalsContact O-CB 3.23Å; I358-F361 WeakPolarHBondContact O-CB 3.43Å; I358-F361 VanDerWaalsContact O-CG 3.23Å; I358-F361 WeakPolarHBondContact O-CG 3.04Å; I358-F361 PolarHBondContact O-N 2.88Å
359R93.7Very high77Confident133 Ų13384.9 Ų84.950%0.50245%0.451SS..THydrogen-bonded Turntrans-60.1-21.1174.4-67.5178.1-155.7136.6-3.5113.6E279 F280 Q355 S356 W357 F361E279-R359 IonicContact OE1-CZ 3.73Å; E279-R359 IonicContact OE1-NH2 2.67Å; E279-R359 PolarHBondContact OE1-NH2 3.01Å; E279-R359 IonicContact OE2-CZ 3.13Å; E279-R359 IonicContact OE2-NE 2.73Å; E279-R359 PolarHBondContact OE2-NE 3.16Å; E279-R359 IonicContact OE2-NH2 2.8Å; E279-R359 PolarHBondContact OE2-NH2 3.29Å; F280-R359 HydrophobicContact CZ-CG 4.18Å; Q355-R359 WeakPolarHBondContact O-CG 3.26Å; Q355-R359 PolarHBondContact O-N 2.82Å; S356-R359 WeakPolarHBondContact O-CB 3.32Å; S356-R359 PolarHBondContact O-N 2.86Å; W357-R359 PolarHBondContact O-N 2.95Å; R359-F361 PolarHBondContact O-N 3.36Å
360T93.6Very high76Confident98 Ų9885 Ų8560%0.60145%0.454SS*.THydrogen-bonded Turntrans-80.7-4.9175.983.70000112.6W357 I358W357-T360 PolarHBondContact O-N 3.45Å; W357-T360 PolarHBondContact O-OG1 3.26Å; I358-T360 PolarHBondContact O-N 3.08Å; I358-T360 VanDerWaalsContact O-N 3.12Å
361F91.5Very high74.8Confident6 Ų689.4 Ų89.43%0.02648%0.478CS..SBendtrans-68.4147.6174.5-63-1.3000108.3R204 Y207 W357 I358 R359 A363R204-F361 HydrophobicContact CB-CE2 3.96Å; R204-F361 HydrophobicContact CB-CZ 3.92Å; R204-F361 HydrophobicContact CG-CD2 4.47Å; R204-F361 HydrophobicContact CG-CE2 4.14Å; R204-F361 HydrophobicContact CG-CZ 4.24Å; R204-F361 VanDerWaalsContact NH2-CE1 3.26Å; Y207-F361 HydrophobicContact CD1-CB 4.15Å; Y207-F361 AromaticContact CD1-CD2 3.53Å; Y207-F361 HydrophobicContact CD1-CD2 3.53Å; Y207-F361 HydrophobicContact CD1-CE2 4.42Å; Y207-F361 HydrophobicContact CD1-CG 4.34Å; Y207-F361 HydrophobicContact CD2-CD2 4.03Å; Y207-F361 HydrophobicContact CE1-CB 3.77Å; Y207-F361 AromaticContact CE1-CD2 3.99Å; Y207-F361 HydrophobicContact CE1-CD2 3.99Å; Y207-F361 HydrophobicContact CE1-CG 4.42Å; Y207-F361 HydrophobicContact CE2-CD2 4.45Å; Y207-F361 AromaticContact CG-CD2 3.55Å; Y207-F361 HydrophobicContact CG-CD2 3.55Å; Y207-F361 HydrophobicContact CG-CE2 4.1Å; W357-F361 AromaticContact CD2-CE1 3.88Å; W357-F361 HydrophobicContact CD2-CE1 3.88Å; W357-F361 AromaticContact CD2-CZ 3.99Å; W357-F361 HydrophobicContact CD2-CZ 3.99Å; W357-F361 AromaticContact CE2-CE1 3.47Å; W357-F361 VanDerWaalsContact CE2-CE1 3.47Å; W357-F361 AromaticContact CE2-CZ 3.74Å; W357-F361 HydrophobicContact CE3-CE1 4.33Å; W357-F361 AromaticContact CE3-CZ 3.96Å; W357-F361 HydrophobicContact CE3-CZ 3.96Å; W357-F361 HydrophobicContact CG-CE1 4.46Å; W357-F361 HydrophobicContact CH2-CE1 4.07Å; W357-F361 AromaticContact CH2-CZ 3.48Å; W357-F361 HydrophobicContact CH2-CZ 3.48Å; W357-F361 VanDerWaalsContact CH2-CZ 3.48Å; W357-F361 AromaticContact CZ2-CE1 3.57Å; W357-F361 HydrophobicContact CZ2-CE1 3.57Å; W357-F361 AromaticContact CZ2-CZ 3.48Å; W357-F361 HydrophobicContact CZ2-CZ 3.48Å; W357-F361 VanDerWaalsContact CZ2-CZ 3.48Å; W357-F361 HydrophobicContact CZ3-CE1 4.42Å; W357-F361 AromaticContact CZ3-CZ 3.73Å; W357-F361 HydrophobicContact CZ3-CZ 3.73Å; W357-F361 AromaticContact NE1-CE1 3.84Å; I358-F361 HydrophobicContact CB-CD2 4.49Å; I358-F361 HydrophobicContact CB-CE2 4.24Å; I358-F361 HydrophobicContact CB-CZ 4.45Å; I358-F361 HydrophobicContact CG1-CE2 4.13Å; I358-F361 HydrophobicContact CG1-CZ 4.17Å; I358-F361 HydrophobicContact CG2-CD2 3.84Å; I358-F361 HydrophobicContact CG2-CE2 3.85Å; I358-F361 VanDerWaalsContact O-CB 3.23Å; I358-F361 WeakPolarHBondContact O-CB 3.43Å; I358-F361 VanDerWaalsContact O-CG 3.23Å; I358-F361 WeakPolarHBondContact O-CG 3.04Å; I358-F361 PolarHBondContact O-N 2.88Å; R359-F361 PolarHBondContact O-N 3.36Å; F361-A363 PolarHBondContact O-N 3.1Å
362P77.7Confident73.6Confident95 Ų9592.8 Ų92.862%0.61750%0.496SS*.  trans-55.511317622.4-30.9000108.1D364P362-D364 PolarHBondContact O-N 2.93Å
363A59.5Low72.2Confident75 Ų7595.4 Ų95.462%0.6250%0.501SS*.  trans-60.5128.3158.400000105F361 K365F361-A363 PolarHBondContact O-N 3.1Å; A363-K365 VanDerWaalsContact C-N 3.3Å; A363-K365 PolarHBondContact O-N 2.87Å
364D47.6Very low70.6Confident119 Ų11994.5 Ų94.564%0.63651%0.507SS*.  trans-51.8110.8158.2-93.7-18.8000105.3V211 P362 Q366V211-D364 HydrophobicContact CG1-CB 4.34Å; V211-D364 WeakPolarHBondContact CG1-OD2 3.32Å; P362-D364 PolarHBondContact O-N 2.93Å; D364-Q366 VanDerWaalsContact C-N 3.26Å; D364-Q366 PolarHBondContact O-N 2.83Å
365K39.9Very low68.9Low193 Ų193100.7 Ų100.784%0.83954%0.54SS*.  trans-48.8110.2153.1-75.2-178.5176.1-178.40103A363 K367A363-K365 VanDerWaalsContact C-N 3.3Å; A363-K365 PolarHBondContact O-N 2.87Å; K365-K367 PolarHBondContact O-N 2.74Å
366Q37.5Very low66.9Low160 Ų160107 Ų10775%0.74857%0.574SS**  trans-41.4121.9165-83.2172.7-20.100105.5D364 D368D364-Q366 VanDerWaalsContact C-N 3.26Å; D364-Q366 PolarHBondContact O-N 2.83Å; Q366-D368 PolarHBondContact O-N 2.99Å
367K36.5Very low64.7Low197 Ų197110.5 Ų110.586%0.85759%0.586SS**  trans-60.488.4162.9-80.6178.7175.1175.30105.1K365 S369K365-K367 PolarHBondContact O-N 2.74Å; K367-S369 PolarHBondContact O-N 3.03Å
368D38.3Very low62.1Low151 Ų151116.9 Ų116.981%0.80762%0.624SS**  trans-6794.2158.3-72.6-25.6000105.2Q366Q366-D368 PolarHBondContact O-N 2.99Å
369S34.3Very low59.1Low176 Ų176127.5 Ų127.5100%1.23168%0.68SS**  trans-128.50164.259.90000108.6K367K367-S369 PolarHBondContact O-N 3.03Å

Retrieved 369 of 369 residues in 75.8 ms (Link to these results)

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