A0A087XAT4_POEFO Loading...

ISL LIM homeobox 2a

AlphaFold DB , UniProt , Accession A0A087XAT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M32.3Very low46.3Very low141 Ų141131.7 Ų131.770%0.69568%0.675SS**  089.80-114.2179.2-177.200107.6E51M1-E51 WeakPolarHBondContact CA-OE1 3.42Å; M1-E51 WeakPolarHBondContact CA-OE2 3.46Å; M1-E51 HydrophobicContact CG-CB 4.43Å; M1-E51 PolarHBondContact N-OE1 2.74Å; M1-E51 PolarHBondContact N-OE2 2.86Å
2Y27.1Very low49.4Very low140 Ų140121.9 Ų121.955%0.54963%0.628SS.*  trans-135.3120.6173.9-66.7-66.1000109.6L4 W288Y2-L4 PolarHBondContact O-N 3.19Å; Y2-W288 HydrophobicContact CD1-CZ2 4.48Å; Y2-W288 HydrophobicContact CE1-CH2 4.16Å; Y2-W288 AromaticContact CE1-CZ2 3.78Å; Y2-W288 HydrophobicContact CE1-CZ2 3.78Å; Y2-W288 AromaticContact CZ-CZ2 3.97Å
3F41.6Very low52.4Low124 Ų124119.4 Ų119.454%0.54461%0.614SS.*  trans-73.5123-179.7-58.3-70.1000110.3F5 Y25F3-F5 PolarHBondContact O-N 3.49Å; F3-Y25 HydrophobicContact CB-CD1 3.49Å; F3-Y25 VanDerWaalsContact CB-CD1 3.49Å; F3-Y25 HydrophobicContact CB-CE1 3.48Å; F3-Y25 VanDerWaalsContact CB-CE1 3.48Å; F3-Y25 HydrophobicContact CB-CG 4.38Å; F3-Y25 AromaticContact CD1-CD1 3.3Å; F3-Y25 HydrophobicContact CD1-CD1 3.3Å; F3-Y25 AromaticContact CD1-CD2 3.73Å; F3-Y25 HydrophobicContact CD1-CD2 3.73Å; F3-Y25 AromaticContact CD1-CE1 3.72Å; F3-Y25 HydrophobicContact CD1-CE1 3.72Å; F3-Y25 HydrophobicContact CD1-CE2 4.1Å; F3-Y25 AromaticContact CD1-CG 3.29Å; F3-Y25 HydrophobicContact CD1-CG 3.29Å; F3-Y25 HydrophobicContact CD2-CD1 4.28Å; F3-Y25 AromaticContact CD2-CE1 3.83Å; F3-Y25 HydrophobicContact CD2-CE1 3.83Å; F3-Y25 HydrophobicContact CD2-CE2 4.35Å; F3-Y25 AromaticContact CD2-CZ 3.84Å; F3-Y25 HydrophobicContact CE1-CD1 4.05Å; F3-Y25 AromaticContact CE1-CD2 3.56Å; F3-Y25 HydrophobicContact CE1-CD2 3.56Å; F3-Y25 HydrophobicContact CE1-CE1 4.37Å; F3-Y25 AromaticContact CE1-CE2 3.93Å; F3-Y25 HydrophobicContact CE1-CE2 3.93Å; F3-Y25 AromaticContact CE1-CG 3.62Å; F3-Y25 HydrophobicContact CE1-CG 3.62Å; F3-Y25 HydrophobicContact CE2-CE1 4.47Å; F3-Y25 HydrophobicContact CE2-CE2 4.2Å; F3-Y25 AromaticContact CG-CD1 3.43Å; F3-Y25 HydrophobicContact CG-CD1 3.43Å; F3-Y25 VanDerWaalsContact CG-CD1 3.43Å; F3-Y25 HydrophobicContact CG-CD2 4.33Å; F3-Y25 AromaticContact CG-CE1 3.39Å; F3-Y25 HydrophobicContact CG-CE1 3.39Å; F3-Y25 HydrophobicContact CG-CE2 4.3Å; F3-Y25 AromaticContact CG-CG 3.91Å; F3-Y25 HydrophobicContact CG-CG 3.91Å; F3-Y25 AromaticContact CG-CZ 3.84Å; F3-Y25 HydrophobicContact CZ-CD2 4.07Å; F3-Y25 AromaticContact CZ-CE2 3.97Å; F3-Y25 HydrophobicContact CZ-CE2 3.97Å; F3-Y25 HydrophobicContact CZ-CG 4.47Å
4L40Very low55.1Low122 Ų122110.9 Ų110.964%0.63957%0.57SS**  trans-75.8102.8171.3-73.4170.9000109.5Y2 V6Y2-L4 PolarHBondContact O-N 3.19Å; L4-V6 HydrophobicContact CB-CG2 4.17Å; L4-V6 PolarHBondContact O-N 2.81Å; L4-V6 VanDerWaalsContact O-N 3.07Å
5F43.4Very low57.3Low179 Ų179108 Ų10879%0.78556%0.559SS**  trans-64.5102.5156-98.4-95.8000108.1F3F3-F5 PolarHBondContact O-N 3.49Å
6V46.3Very low59.2Low89 Ų89103.8 Ų103.854%0.53955%0.551SS.*  trans-103.8110.8166-176.80000107.1L4 K8L4-V6 HydrophobicContact CB-CG2 4.17Å; L4-V6 PolarHBondContact O-N 2.81Å; L4-V6 VanDerWaalsContact O-N 3.07Å; V6-K8 PolarHBondContact O-N 2.85Å
7E45.8Very low60.9Low186 Ų186101.4 Ų101.487%0.86954%0.543SS*.  trans-64.2129.7173.4-165.2163.3-148.700109.3S9E7-S9 PolarHBondContact O-N 3.28Å
8K47.8Very low62.5Low166 Ų16698.9 Ų98.972%0.72255%0.546SS*.SBendtrans-64.6119-156.9-79.2-172.4175.6-179.80113.3V6V6-K8 PolarHBondContact O-N 2.85Å
9S50.1Low63.9Low119 Ų11997 Ų9783%0.83254%0.54SS*.  trans-132.121.2169.648.80000113.3E7E7-S9 PolarHBondContact O-N 3.28Å
10G62.2Low65.3Low60 Ų6095.8 Ų95.862%0.61953%0.53SS*.SBendtrans-166.2163.2176.700000115.1
11I73.2Confident66.4Low123 Ų12391.5 Ų91.563%0.63151%0.506SS*.  trans-90.298.9169.2-64.7177.7000107.4M13 Q20I11-M13 HydrophobicContact CG2-CG 4.14Å; I11-M13 HydrophobicContact CG2-SD 3.77Å; I11-Q20 HydrophobicContact CG2-CB 4.49Å; I11-Q20 HydrophobicContact CG2-CG 3.95Å
12A82.6Confident68.8Low14 Ų1491.1 Ų91.112%0.11650%0.503CS..  trans-71.9132.9173.800000110.3Q20 I21 I26 E34A12-Q20 CarbonylContact O-C 3.54Å; A12-Q20 WeakPolarHBondContact O-CA 3.13Å; A12-I21 HydrophobicContact CB-CB 4.09Å; A12-I21 HydrophobicContact CB-CD1 4.3Å; A12-I21 PolarHBondContact O-N 3.43Å; A12-I26 HydrophobicContact CB-CD1 3.6Å; A12-E34 WeakPolarHBondContact CA-OE2 3.25Å; A12-E34 WeakPolarHBondContact CB-OE2 3.4Å
13M89.4Confident71.5Confident89 Ų8987.9 Ų87.944%0.43850%0.495SS..BIsolated β-bridgetrans-124.5124.6-174.7-67.9-63.8-67.600110.8I11 V15 G18 Q20I11-M13 HydrophobicContact CG2-CG 4.14Å; I11-M13 HydrophobicContact CG2-SD 3.77Å; M13-V15 PolarHBondContact O-N 3.31Å; M13-G18 WeakPolarHBondContact CE-O 3.47Å; M13-Q20 VanDerWaalsContact SD-CA 3.54Å; M13-Q20 HydrophobicContact SD-CB 3.85Å
14C89.6Confident73.2Confident1 Ų188.5 Ų88.51%0.00750%0.499CS..  trans-76.6114.7-176.1-179.20000112G16 C17 G18 S19 I21 E34 H36 C39C14-G16 PolarHBondContact O-N 2.88Å; C14-G16 VanDerWaalsContact O-N 3.14Å; C14-G16 PolarHBondContact SG-N 2.83Å; C14-G16 VanDerWaalsContact SG-N 3.43Å; C14-C17 PolarHBondContact O-N 3.37Å; C14-G18 WeakPolarHBondContact O-CA 3.45Å; C14-G18 PolarHBondContact O-N 3.33Å; C14-S19 PolarHBondContact N-O 3.48Å; C14-I21 HydrophobicContact CB-CD1 3.94Å; C14-I21 HydrophobicContact CB-CG1 3.68Å; C14-E34 WeakPolarHBondContact CA-O 3.35Å; C14-H36 VanDerWaalsContact CB-CE1 3.45Å; C14-H36 WeakPolarHBondContact CB-CE1 3.12Å; C14-H36 WeakPolarHBondContact CB-ND1 3.37Å; C14-H36 PolarHBondContact SG-N 2.98Å; C14-H36 PolarHBondContact SG-ND1 2.74Å; C14-C39 VanDerWaalsContact SG-CB 3.59Å
15V88.4Confident74.9Confident67 Ų6786.6 Ų86.641%0.40648%0.484SS..THydrogen-bonded Turntrans-57.4-31.1177.2179.40000112.1M13 L33 E34 W35M13-V15 PolarHBondContact O-N 3.31Å; V15-L33 HydrophobicContact CG2-CB 4.16Å; V15-L33 HydrophobicContact CG2-CD2 4.17Å; V15-E34 PolarHBondContact N-O 2.72Å; V15-W35 HydrophobicContact CB-CD2 4.33Å; V15-W35 HydrophobicContact CB-CH2 4.16Å; V15-W35 HydrophobicContact CB-CZ2 3.68Å; V15-W35 HydrophobicContact CG1-CH2 3.94Å; V15-W35 HydrophobicContact CG1-CZ2 3.56Å
16G86.6Confident76.8Confident41 Ų4181.1 Ų81.142%0.42346%0.462SS..THydrogen-bonded Turntrans-80.1-12.8-178.800000117C14C14-G16 PolarHBondContact O-N 2.88Å; C14-G16 VanDerWaalsContact O-N 3.14Å; C14-G16 PolarHBondContact SG-N 2.83Å; C14-G16 VanDerWaalsContact SG-N 3.43Å
17C89.6Confident78.6Confident62 Ų6279.9 Ų79.942%0.41945%0.452SS..THydrogen-bonded Turntrans-142.9-4.9178.668.30000115.6C14 S19 H36C14-C17 PolarHBondContact O-N 3.37Å; C17-S19 PolarHBondContact O-N 2.97Å; C17-H36 VanDerWaalsContact SG-CE1 3.52Å; C17-H36 PolarHBondContact SG-ND1 3.25Å
18G88.3Confident80.4Confident57 Ų5777.4 Ų77.459%0.58844%0.435SS*.SBendtrans73.52.9-179.600000115.3M13 C14M13-G18 WeakPolarHBondContact CE-O 3.47Å; C14-G18 WeakPolarHBondContact O-CA 3.45Å; C14-G18 PolarHBondContact O-N 3.33Å
19S90.1Very high82Confident63 Ų6369.6 Ų69.644%0.44140%0.401SS..SBendtrans-96.1155.4-179-46.10000112.6C14 C17C14-S19 PolarHBondContact N-O 3.48Å; C17-S19 PolarHBondContact O-N 2.97Å
20Q91.6Very high83.1Confident73 Ų7367.3 Ų67.334%0.34139%0.385SS..BIsolated β-bridgetrans-62.3139170.9-179.5172.30.900110.8I11 A12 M13 H22I11-Q20 HydrophobicContact CG2-CB 4.49Å; I11-Q20 HydrophobicContact CG2-CG 3.95Å; A12-Q20 CarbonylContact O-C 3.54Å; A12-Q20 WeakPolarHBondContact O-CA 3.13Å; M13-Q20 VanDerWaalsContact SD-CA 3.54Å; M13-Q20 HydrophobicContact SD-CB 3.85Å; Q20-H22 WeakPolarHBondContact CG-NE2 3.44Å; Q20-H22 PolarHBondContact O-CD2 3.43Å; Q20-H22 VanDerWaalsContact O-CD2 3.31Å
21I87.6Confident83.3Confident6 Ų668.9 Ų68.93%0.03138%0.384CS..PPolyproline II helixtrans-85.6117.3176.9-58.6167.1000109.3A12 C14 D23 I26 E34A12-I21 HydrophobicContact CB-CB 4.09Å; A12-I21 HydrophobicContact CB-CD1 4.3Å; A12-I21 PolarHBondContact O-N 3.43Å; C14-I21 HydrophobicContact CB-CD1 3.94Å; C14-I21 HydrophobicContact CB-CG1 3.68Å; I21-D23 HydrophobicContact CG2-CB 3.97Å; I21-I26 HydrophobicContact CB-CD1 4.23Å; I21-I26 HydrophobicContact CD1-CG2 3.96Å; I21-I26 HydrophobicContact CG2-CD1 3.82Å; I21-I26 HydrophobicContact CG2-CG1 3.78Å; I21-E34 HydrophobicContact CD1-CB 3.79Å
22H84.1Confident83.4Confident133 Ų13369 Ų6962%0.61639%0.387SS*.  trans-108.4-5173.9-64.6-93.9000112.9Q20Q20-H22 WeakPolarHBondContact CG-NE2 3.44Å; Q20-H22 PolarHBondContact O-CD2 3.43Å; Q20-H22 VanDerWaalsContact O-CD2 3.31Å
23D82.1Confident83.5Confident72 Ų7270.9 Ų70.939%0.38539%0.394SS..SBendtrans-52.5146175.2-67.22.8000111.3I21 Y25 H36I21-D23 HydrophobicContact CG2-CB 3.97Å; D23-Y25 WeakPolarHBondContact CB-O 3.37Å; D23-Y25 PolarHBondContact O-N 3.2Å; D23-H36 IonicContact OD1-CD2 3.54Å; D23-H36 IonicContact OD2-CD2 3.43Å; D23-H36 PolarHBondContact OD2-CD2 3.46Å; D23-H36 IonicContact OD2-CG 3.89Å
24Q78.9Confident83.5Confident137 Ų13767.9 Ų67.964%0.6438%0.379SS*.SBendtrans-60.6-23.8170.7-169.9-178.8-0.500112.2
25Y75.4Confident83.4Confident82 Ų8268.1 Ų68.132%0.32238%0.38SS..SBendtrans-135.3127.7-170.9-53.8-48.2000110.7F3 D23F3-Y25 HydrophobicContact CB-CD1 3.49Å; F3-Y25 VanDerWaalsContact CB-CD1 3.49Å; F3-Y25 HydrophobicContact CB-CE1 3.48Å; F3-Y25 VanDerWaalsContact CB-CE1 3.48Å; F3-Y25 HydrophobicContact CB-CG 4.38Å; F3-Y25 AromaticContact CD1-CD1 3.3Å; F3-Y25 HydrophobicContact CD1-CD1 3.3Å; F3-Y25 AromaticContact CD1-CD2 3.73Å; F3-Y25 HydrophobicContact CD1-CD2 3.73Å; F3-Y25 AromaticContact CD1-CE1 3.72Å; F3-Y25 HydrophobicContact CD1-CE1 3.72Å; F3-Y25 HydrophobicContact CD1-CE2 4.1Å; F3-Y25 AromaticContact CD1-CG 3.29Å; F3-Y25 HydrophobicContact CD1-CG 3.29Å; F3-Y25 HydrophobicContact CD2-CD1 4.28Å; F3-Y25 AromaticContact CD2-CE1 3.83Å; F3-Y25 HydrophobicContact CD2-CE1 3.83Å; F3-Y25 HydrophobicContact CD2-CE2 4.35Å; F3-Y25 AromaticContact CD2-CZ 3.84Å; F3-Y25 HydrophobicContact CE1-CD1 4.05Å; F3-Y25 AromaticContact CE1-CD2 3.56Å; F3-Y25 HydrophobicContact CE1-CD2 3.56Å; F3-Y25 HydrophobicContact CE1-CE1 4.37Å; F3-Y25 AromaticContact CE1-CE2 3.93Å; F3-Y25 HydrophobicContact CE1-CE2 3.93Å; F3-Y25 AromaticContact CE1-CG 3.62Å; F3-Y25 HydrophobicContact CE1-CG 3.62Å; F3-Y25 HydrophobicContact CE2-CE1 4.47Å; F3-Y25 HydrophobicContact CE2-CE2 4.2Å; F3-Y25 AromaticContact CG-CD1 3.43Å; F3-Y25 HydrophobicContact CG-CD1 3.43Å; F3-Y25 VanDerWaalsContact CG-CD1 3.43Å; F3-Y25 HydrophobicContact CG-CD2 4.33Å; F3-Y25 AromaticContact CG-CE1 3.39Å; F3-Y25 HydrophobicContact CG-CE1 3.39Å; F3-Y25 HydrophobicContact CG-CE2 4.3Å; F3-Y25 AromaticContact CG-CG 3.91Å; F3-Y25 HydrophobicContact CG-CG 3.91Å; F3-Y25 AromaticContact CG-CZ 3.84Å; F3-Y25 HydrophobicContact CZ-CD2 4.07Å; F3-Y25 AromaticContact CZ-CE2 3.97Å; F3-Y25 HydrophobicContact CZ-CE2 3.97Å; F3-Y25 HydrophobicContact CZ-CG 4.47Å; D23-Y25 WeakPolarHBondContact CB-O 3.37Å; D23-Y25 PolarHBondContact O-N 3.2Å
26I83.3Confident83.4Confident63 Ų6366.1 Ų66.132%0.32337%0.366SS..  trans-112.5131.3-177.2-52.5-167.1000109.5A12 I21 R28 E34A12-I26 HydrophobicContact CB-CD1 3.6Å; I21-I26 HydrophobicContact CB-CD1 4.23Å; I21-I26 HydrophobicContact CD1-CG2 3.96Å; I21-I26 HydrophobicContact CG2-CD1 3.82Å; I21-I26 HydrophobicContact CG2-CG1 3.78Å; I26-R28 HydrophobicContact CG2-CG 4.45Å; I26-E34 HydrophobicContact CG2-CB 4Å; I26-E34 HydrophobicContact CG2-CG 4.42Å
27L83.9Confident83.4Confident63 Ų6366.8 Ų66.833%0.3337%0.368SS..EExtended strand (participates in β ladder)trans-88.6124171.2-59.5-176.8000109.5W35 A37 L40L27-W35 HydrophobicContact CB-CB 4.43Å; L27-W35 PolarHBondContact N-O 2.89Å; L27-W35 PolarHBondContact O-N 3.16Å; L27-A37 HydrophobicContact CD1-CB 4.31Å; L27-L40 HydrophobicContact CB-CD2 3.92Å; L27-L40 HydrophobicContact CD1-CB 4.03Å; L27-L40 HydrophobicContact CD1-CD2 3.74Å; L27-L40 HydrophobicContact CG-CD2 4.48Å
28R84.1Confident83.2Confident134 Ų13466.6 Ų66.651%0.50637%0.37SS..EExtended strand (participates in β ladder)trans-109.2131.8178.3-75.1-171.4166.2-165.7-2.7111.2I26 L33 E34I26-R28 HydrophobicContact CG2-CG 4.45Å; R28-L33 WeakPolarHBondContact CA-O 3.44Å; R28-E34 HydrophobicContact CG-CG 4.26Å; R28-E34 IonicContact CZ-OE1 2.74Å; R28-E34 IonicContact NE-OE1 3.21Å; R28-E34 PolarHBondContact NE-OE1 2.96Å; R28-E34 IonicContact NH2-OE1 2.86Å; R28-E34 PolarHBondContact NH2-OE1 3.42Å
29V80.1Confident83.2Confident2 Ų265.2 Ų65.21%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-123116.8-177.2175.20000107.1P31 D32 L33 L40 V57 V279V29-P31 CarbonylContact O-C 3.56Å; V29-D32 PolarHBondContact O-N 3.16Å; V29-L33 HydrophobicContact CB-CB 4.24Å; V29-L33 PolarHBondContact N-O 3.29Å; V29-L33 VanDerWaalsContact O-CB 3.32Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 PolarHBondContact O-N 3.21Å; V29-L40 HydrophobicContact CG2-CD1 3.96Å; V29-L40 HydrophobicContact CG2-CD2 3.88Å; V29-V57 HydrophobicContact CG1-CG2 3.72Å; V29-V279 HydrophobicContact CB-CG1 4.48Å; V29-V279 HydrophobicContact CG1-CB 4.24Å; V29-V279 HydrophobicContact CG1-CG1 3.6Å; V29-V279 HydrophobicContact CG1-CG2 4.43Å
30S74.6Confident83.2Confident72 Ų7262.7 Ų62.750%0.50333%0.333SS..THydrogen-bonded Turntrans-65.1141.7-171.5-172.70000113.3V279S30-V279 WeakPolarHBondContact O-CG1 3.39Å; S30-V279 VanDerWaalsContact O-CG2 3.31Å; S30-V279 WeakPolarHBondContact O-CG2 3.37Å
31P64.9Low83.1Confident92 Ų9263 Ų6360%0.59733%0.333SS*.THydrogen-bonded Turncis-83.5118.3-8.232.6-30.2000111V29 L33V29-P31 CarbonylContact O-C 3.56Å; P31-L33 VanDerWaalsContact C-N 3.26Å; P31-L33 PolarHBondContact O-N 3.14Å
32D75.9Confident83.3Confident126 Ų12662.7 Ų62.767%0.67433%0.332SS*.THydrogen-bonded Turntrans54.424.1164.8-51.1-50.6000117.9V29V29-D32 PolarHBondContact O-N 3.16Å
33L85.8Confident83.7Confident54 Ų5457.7 Ų57.728%0.28331%0.314SS..EExtended strand (participates in β ladder)trans-81.2121.1172.2-56.2177.4000110.5V15 R28 V29 P31 V57V15-L33 HydrophobicContact CG2-CB 4.16Å; V15-L33 HydrophobicContact CG2-CD2 4.17Å; R28-L33 WeakPolarHBondContact CA-O 3.44Å; V29-L33 HydrophobicContact CB-CB 4.24Å; V29-L33 PolarHBondContact N-O 3.29Å; V29-L33 VanDerWaalsContact O-CB 3.32Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 PolarHBondContact O-N 3.21Å; P31-L33 VanDerWaalsContact C-N 3.26Å; P31-L33 PolarHBondContact O-N 3.14Å; L33-V57 HydrophobicContact CD1-CG1 4.19Å; L33-V57 HydrophobicContact CD1-CG2 4.13Å
34E87.9Confident84.3Confident26 Ų2657.9 Ų57.912%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-103141.3-175.3-53.8-163.6114.300113.2A12 C14 V15 I21 I26 R28A12-E34 WeakPolarHBondContact CA-OE2 3.25Å; A12-E34 WeakPolarHBondContact CB-OE2 3.4Å; C14-E34 WeakPolarHBondContact CA-O 3.35Å; V15-E34 PolarHBondContact N-O 2.72Å; I21-E34 HydrophobicContact CD1-CB 3.79Å; I26-E34 HydrophobicContact CG2-CB 4Å; I26-E34 HydrophobicContact CG2-CG 4.42Å; R28-E34 HydrophobicContact CG-CG 4.26Å; R28-E34 IonicContact CZ-OE1 2.74Å; R28-E34 IonicContact NE-OE1 3.21Å; R28-E34 PolarHBondContact NE-OE1 2.96Å; R28-E34 IonicContact NH2-OE1 2.86Å; R28-E34 PolarHBondContact NH2-OE1 3.42Å
35W88.3Confident84.9Confident6 Ų653.7 Ų53.72%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-142.9139.5-175.2-56.975.6000112.5V15 L27 C39 L40 T62V15-W35 HydrophobicContact CB-CD2 4.33Å; V15-W35 HydrophobicContact CB-CH2 4.16Å; V15-W35 HydrophobicContact CB-CZ2 3.68Å; V15-W35 HydrophobicContact CG1-CH2 3.94Å; V15-W35 HydrophobicContact CG1-CZ2 3.56Å; L27-W35 HydrophobicContact CB-CB 4.43Å; L27-W35 PolarHBondContact N-O 2.89Å; L27-W35 PolarHBondContact O-N 3.16Å; W35-C39 HydrophobicContact CE3-CB 4.25Å; W35-L40 HydrophobicContact CB-CB 3.93Å; W35-L40 HydrophobicContact CB-CD1 4.31Å; W35-L40 HydrophobicContact CD2-CB 4.46Å; W35-L40 HydrophobicContact CD2-CD1 3.6Å; W35-L40 HydrophobicContact CE3-CB 4.44Å; W35-L40 HydrophobicContact CE3-CD1 3.96Å; W35-L40 HydrophobicContact CG-CB 4.26Å; W35-L40 HydrophobicContact CG-CD1 3.72Å; W35-L40 HydrophobicContact CG-CG 4.43Å; W35-T62 HydrophobicContact CH2-CG2 3.5Å; W35-T62 VanDerWaalsContact CH2-CG2 3.5Å; W35-T62 HydrophobicContact CZ2-CG2 3.51Å; W35-T62 HydrophobicContact CZ3-CG2 4.12Å
36H88.3Confident85.7Confident24 Ų2456.2 Ų56.211%0.11131%0.31CS..  trans-60.6147.9158-57110.2000109.8C14 C17 D23 A38 C39 L40C14-H36 VanDerWaalsContact CB-CE1 3.45Å; C14-H36 WeakPolarHBondContact CB-CE1 3.12Å; C14-H36 WeakPolarHBondContact CB-ND1 3.37Å; C14-H36 PolarHBondContact SG-N 2.98Å; C14-H36 PolarHBondContact SG-ND1 2.74Å; C17-H36 VanDerWaalsContact SG-CE1 3.52Å; C17-H36 PolarHBondContact SG-ND1 3.25Å; D23-H36 IonicContact OD1-CD2 3.54Å; D23-H36 IonicContact OD2-CD2 3.43Å; D23-H36 PolarHBondContact OD2-CD2 3.46Å; D23-H36 IonicContact OD2-CG 3.89Å; H36-A38 PolarHBondContact O-N 3.12Å; H36-C39 HydrophobicContact CB-CB 4.02Å; H36-C39 PolarHBondContact O-N 3.31Å; H36-L40 PolarHBondContact O-N 2.86Å
37A85.9Confident86Confident55 Ų5557.6 Ų57.646%0.45532%0.315SS..THydrogen-bonded Turntrans-57.4-37.6175.200000112.5L27 C39L27-A37 HydrophobicContact CD1-CB 4.31Å; A37-C39 VanDerWaalsContact C-N 3.28Å; A37-C39 PolarHBondContact O-N 2.82Å
38A86.6Confident86.2Confident58 Ų5861.1 Ų61.148%0.47933%0.325SS..THydrogen-bonded Turntrans-73.9-12.8177.300000114.7H36 K41H36-A38 PolarHBondContact O-N 3.12Å; A38-K41 PolarHBondContact O-NZ 3.18Å
39C88.2Confident86.4Confident29 Ų2954.9 Ų54.920%0.19630%0.302CS..THydrogen-bonded Turntrans-98.2-28.8-179.6-69.40000113.1C14 W35 H36 A37 K41C14-C39 VanDerWaalsContact SG-CB 3.59Å; W35-C39 HydrophobicContact CE3-CB 4.25Å; H36-C39 HydrophobicContact CB-CB 4.02Å; H36-C39 PolarHBondContact O-N 3.31Å; A37-C39 VanDerWaalsContact C-N 3.28Å; A37-C39 PolarHBondContact O-N 2.82Å; C39-K41 VanDerWaalsContact C-N 3.34Å; C39-K41 PolarHBondContact O-N 2.95Å
40L89.1Confident86Confident9 Ų958 Ų585%0.04732%0.318CS..  trans-79.480.1-179.4-166.464.7000111.3L27 V29 W35 H36 L49 T62L27-L40 HydrophobicContact CB-CD2 3.92Å; L27-L40 HydrophobicContact CD1-CB 4.03Å; L27-L40 HydrophobicContact CD1-CD2 3.74Å; L27-L40 HydrophobicContact CG-CD2 4.48Å; V29-L40 HydrophobicContact CG2-CD1 3.96Å; V29-L40 HydrophobicContact CG2-CD2 3.88Å; W35-L40 HydrophobicContact CB-CB 3.93Å; W35-L40 HydrophobicContact CB-CD1 4.31Å; W35-L40 HydrophobicContact CD2-CB 4.46Å; W35-L40 HydrophobicContact CD2-CD1 3.6Å; W35-L40 HydrophobicContact CE3-CB 4.44Å; W35-L40 HydrophobicContact CE3-CD1 3.96Å; W35-L40 HydrophobicContact CG-CB 4.26Å; W35-L40 HydrophobicContact CG-CD1 3.72Å; W35-L40 HydrophobicContact CG-CG 4.43Å; H36-L40 PolarHBondContact O-N 2.86Å; L40-L49 WeakPolarHBondContact CD2-O 3.46Å; L40-L49 HydrophobicContact CG-CB 4.16Å; L40-L49 PolarHBondContact O-N 3.12Å; L40-T62 HydrophobicContact CD1-CG2 3.94Å
41K91.1Very high85.4Confident80 Ų8058.2 Ų58.235%0.34831%0.311SS..BIsolated β-bridgetrans-140.7147-178.765.4-163.5168.5-151.20112.1A38 C39 A43 Q47 Y48 T62A38-K41 PolarHBondContact O-NZ 3.18Å; C39-K41 VanDerWaalsContact C-N 3.34Å; C39-K41 PolarHBondContact O-N 2.95Å; K41-A43 PolarHBondContact O-N 2.86Å; K41-Q47 CarbonylContact C-O 3.55Å; K41-Q47 WeakPolarHBondContact CA-O 3.19Å; K41-Y48 HydrophobicContact CB-CD1 3.93Å; K41-Y48 HydrophobicContact CB-CE1 4.28Å; K41-Y48 HydrophobicContact CD-CD1 4.41Å; K41-Y48 HydrophobicContact CD-CE1 3.92Å; K41-T62 PolarHBondContact O-OG1 2.91Å; K41-T62 VanDerWaalsContact O-OG1 3.12Å
42C91.8Very high85.3Confident0 Ų059.7 Ų59.70%032%0.319CS..  trans-60.1127-176-179.60000111.8E44 K46 Q47 L49 T62 C64C42-E44 PolarHBondContact O-N 2.87Å; C42-E44 VanDerWaalsContact O-N 3.12Å; C42-K46 WeakPolarHBondContact O-CA 3.39Å; C42-K46 PolarHBondContact O-N 3.02Å; C42-Q47 PolarHBondContact N-O 3.02Å; C42-L49 HydrophobicContact CB-CD1 4.4Å; C42-L49 HydrophobicContact CB-CD2 4.43Å; C42-T62 CarbonylContact C-O 3.43Å; C42-T62 WeakPolarHBondContact CA-O 3.19Å; C42-C64 HydrophobicContact CB-CB 4.27Å; C42-C64 PolarHBondContact SG-N 2.89Å; C42-C64 VanDerWaalsContact SG-N 3.38Å
43A92.4Very high84.9Confident28 Ų2855 Ų5523%0.23130%0.296CS..THydrogen-bonded Turntrans-57.6-27.717900000113.4K41 K46 K61 T62 Y63K41-A43 PolarHBondContact O-N 2.86Å; A43-K46 PolarHBondContact O-NZ 2.8Å; A43-K61 HydrophobicContact CB-CB 4.02Å; A43-K61 HydrophobicContact CB-CD 4.44Å; A43-K61 HydrophobicContact CB-CG 4.37Å; A43-T62 PolarHBondContact N-O 2.89Å; A43-Y63 HydrophobicContact CB-CD1 4.46Å; A43-Y63 HydrophobicContact CB-CE1 4.02Å
44E93.5Very high84.2Confident75 Ų7555.4 Ų55.435%0.3530%0.301SS..THydrogen-bonded Turntrans-84.3-84.7176.1-63.3-68.7105.800111.4C42 K46 Y63 D67 R70 L71C42-E44 PolarHBondContact O-N 2.87Å; C42-E44 VanDerWaalsContact O-N 3.12Å; E44-K46 WeakPolarHBondContact O-CD 3.33Å; E44-K46 WeakPolarHBondContact O-CE 3.47Å; E44-K46 PolarHBondContact O-N 3.07Å; E44-K46 VanDerWaalsContact O-N 3.16Å; E44-Y63 HydrophobicContact CG-CD1 3.95Å; E44-Y63 HydrophobicContact CG-CE1 3.91Å; E44-D67 HydrophobicContact CB-CB 3.99Å; E44-D67 HydrophobicContact CG-CB 4.09Å; E44-R70 IonicContact OE2-CZ 2.7Å; E44-R70 IonicContact OE2-NH1 3.23Å; E44-R70 IonicContact OE2-NH2 2.8Å; E44-R70 PolarHBondContact OE2-NH2 2.89Å; E44-L71 HydrophobicContact CG-CD1 3.63Å
45C92.1Very high84Confident49 Ų4954.3 Ų54.333%0.33130%0.295SS..THydrogen-bonded Turntrans-76.31.8-170.861.30000115.2Q47 D67C45-Q47 PolarHBondContact O-N 3.19Å; C45-D67 PolarHBondContact SG-OD2 3.09Å
46K91.3Very high83.9Confident136 Ų13655.1 Ų55.159%0.59130%0.299SS*.  trans58.90.6179.5-42.6-53.3179.5-172.80116.2C42 A43 E44 Y48C42-K46 WeakPolarHBondContact O-CA 3.39Å; C42-K46 PolarHBondContact O-N 3.02Å; A43-K46 PolarHBondContact O-NZ 2.8Å; E44-K46 WeakPolarHBondContact O-CD 3.33Å; E44-K46 WeakPolarHBondContact O-CE 3.47Å; E44-K46 PolarHBondContact O-N 3.07Å; E44-K46 VanDerWaalsContact O-N 3.16Å; K46-Y48 PolarHBondContact O-N 2.7Å
47Q89.4Confident83.9Confident92 Ų9256 Ų5643%0.4331%0.307SS..  trans-57.5132173.8-172.5-174.9-19.500110.4K41 C42 C45K41-Q47 CarbonylContact C-O 3.55Å; K41-Q47 WeakPolarHBondContact CA-O 3.19Å; C42-Q47 PolarHBondContact N-O 3.02Å; C45-Q47 PolarHBondContact O-N 3.19Å
48Y89Confident83.8Confident136 Ų13658 Ų5853%0.53330%0.302SS..BIsolated β-bridgetrans-61.5140.8171.3-64.8-74.4000110.7K41 K46K41-Y48 HydrophobicContact CB-CD1 3.93Å; K41-Y48 HydrophobicContact CB-CE1 4.28Å; K41-Y48 HydrophobicContact CD-CD1 4.41Å; K41-Y48 HydrophobicContact CD-CE1 3.92Å; K46-Y48 PolarHBondContact O-N 2.7Å
49L87.6Confident83.7Confident4 Ų461.8 Ų61.82%0.02131%0.314CS..  trans-10691.4-177.3-62.5163.3000107.3L40 C42 C53 C55 C64L40-L49 WeakPolarHBondContact CD2-O 3.46Å; L40-L49 HydrophobicContact CG-CB 4.16Å; L40-L49 PolarHBondContact O-N 3.12Å; C42-L49 HydrophobicContact CB-CD1 4.4Å; C42-L49 HydrophobicContact CB-CD2 4.43Å; L49-C53 HydrophobicContact CD2-CB 4.37Å; L49-C55 HydrophobicContact CB-CB 4.28Å; L49-C55 HydrophobicContact CD1-CB 3.88Å; L49-C55 HydrophobicContact CD2-CB 4.28Å; L49-C55 HydrophobicContact CG-CB 4.37Å; L49-C64 HydrophobicContact CD2-CB 3.58Å
50D72.2Confident83.2Confident67 Ų6762.9 Ų62.936%0.35833%0.331SS..  trans-84.6-177.5-179.46540.7000113T52 C53D50-T52 PolarHBondContact O-N 3.2Å; D50-T52 VanDerWaalsContact O-N 3.15Å; D50-T52 WeakPolarHBondContact OD1-CA 3.32Å; D50-T52 VanDerWaalsContact OD1-CB 3.32Å; D50-T52 WeakPolarHBondContact OD1-CB 3.5Å; D50-T52 PolarHBondContact OD1-N 3.11Å; D50-T52 PolarHBondContact OD1-OG1 3.42Å; D50-C53 WeakPolarHBondContact O-CB 3.42Å; D50-C53 PolarHBondContact O-N 3.38Å; D50-C53 PolarHBondContact OD1-N 2.87Å
51E62.2Low83.1Confident77 Ų7768.1 Ų68.136%0.3635%0.353SS..THydrogen-bonded Turntrans-61.9-17.7-179.1-160.3-160.2-124.800113.9M1 V281M1-E51 WeakPolarHBondContact CA-OE1 3.42Å; M1-E51 WeakPolarHBondContact CA-OE2 3.46Å; M1-E51 HydrophobicContact CG-CB 4.43Å; M1-E51 PolarHBondContact N-OE1 2.74Å; M1-E51 PolarHBondContact N-OE2 2.86Å; E51-V281 HydrophobicContact CG-CG1 4.26Å
52T62.7Low83Confident122 Ų12264.6 Ų64.675%0.74834%0.338SS*.THydrogen-bonded Turntrans-85.1-17.1172.776.20000112.6D50D50-T52 PolarHBondContact O-N 3.2Å; D50-T52 VanDerWaalsContact O-N 3.15Å; D50-T52 WeakPolarHBondContact OD1-CA 3.32Å; D50-T52 VanDerWaalsContact OD1-CB 3.32Å; D50-T52 WeakPolarHBondContact OD1-CB 3.5Å; D50-T52 PolarHBondContact OD1-N 3.11Å; D50-T52 PolarHBondContact OD1-OG1 3.42Å
53C66.7Low82.9Confident28 Ų2865.1 Ų65.119%0.18934%0.34CS..SBendtrans-99.2105.6-172.1-69.60000112.1L49 D50 C55L49-C53 HydrophobicContact CD2-CB 4.37Å; D50-C53 WeakPolarHBondContact O-CB 3.42Å; D50-C53 PolarHBondContact O-N 3.38Å; D50-C53 PolarHBondContact OD1-N 2.87Å; C53-C55 PolarHBondContact O-N 2.96Å; C53-C55 VanDerWaalsContact O-N 3.09Å
54T72.4Confident82.7Confident63 Ų6364.4 Ų64.439%0.38733%0.333SS..  trans-59.6116.9164.932.90000110.2
55C83.4Confident82.4Confident2 Ų266.1 Ų66.11%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-107.5155.3-179.668.50000111.4L49 C53 Y63L49-C55 HydrophobicContact CB-CB 4.28Å; L49-C55 HydrophobicContact CD1-CB 3.88Å; L49-C55 HydrophobicContact CD2-CB 4.28Å; L49-C55 HydrophobicContact CG-CB 4.37Å; C53-C55 PolarHBondContact O-N 2.96Å; C53-C55 VanDerWaalsContact O-N 3.09Å; C55-Y63 WeakPolarHBondContact CA-O 3.45Å
56F86.6Confident82.1Confident23 Ų2371.2 Ų71.210%0.10135%0.351CS..EExtended strand (participates in β ladder)trans-125.2126.2-179.7-65-95.3000108.9T62 Y63 K65 Y68 P278F56-T62 CarbonylContact O-C 3.59Å; F56-T62 WeakPolarHBondContact O-CA 3.36Å; F56-Y63 PolarHBondContact N-O 3.18Å; F56-Y63 PolarHBondContact O-N 2.84Å; F56-K65 HydrophobicContact CE2-CB 3.94Å; F56-K65 HydrophobicContact CE2-CG 4.08Å; F56-Y68 HydrophobicContact CB-CD1 3.77Å; F56-Y68 HydrophobicContact CB-CD2 3.37Å; F56-Y68 HydrophobicContact CB-CE1 3.99Å; F56-Y68 HydrophobicContact CB-CE2 3.62Å; F56-Y68 HydrophobicContact CB-CG 3.45Å; F56-Y68 VanDerWaalsContact CB-CG 3.45Å; F56-Y68 AromaticContact CD1-CD1 3.56Å; F56-Y68 HydrophobicContact CD1-CD1 3.56Å; F56-Y68 AromaticContact CD1-CE1 3.45Å; F56-Y68 HydrophobicContact CD1-CE1 3.45Å; F56-Y68 VanDerWaalsContact CD1-CE1 3.45Å; F56-Y68 HydrophobicContact CD1-CG 4.17Å; F56-Y68 AromaticContact CD1-CZ 3.97Å; F56-Y68 AromaticContact CD2-CD1 3.93Å; F56-Y68 HydrophobicContact CD2-CD1 3.93Å; F56-Y68 AromaticContact CD2-CG 4Å; F56-Y68 HydrophobicContact CD2-CG 4Å; F56-Y68 HydrophobicContact CE1-CD1 4.12Å; F56-Y68 HydrophobicContact CE1-CE1 4.08Å; F56-Y68 HydrophobicContact CE2-CD1 4.46Å; F56-Y68 AromaticContact CG-CD1 3.46Å; F56-Y68 HydrophobicContact CG-CD1 3.46Å; F56-Y68 VanDerWaalsContact CG-CD1 3.46Å; F56-Y68 HydrophobicContact CG-CD2 4.05Å; F56-Y68 AromaticContact CG-CE1 3.77Å; F56-Y68 HydrophobicContact CG-CE1 3.77Å; F56-Y68 HydrophobicContact CG-CE2 4.32Å; F56-Y68 AromaticContact CG-CG 3.6Å; F56-Y68 HydrophobicContact CG-CG 3.6Å; F56-P278 HydrophobicContact CE1-CB 4.06Å
57V86.8Confident82Confident44 Ų4465.1 Ų65.127%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-97.8130177.8-162.10000109V29 L33 K61 T62V29-V57 HydrophobicContact CG1-CG2 3.72Å; L33-V57 HydrophobicContact CD1-CG1 4.19Å; L33-V57 HydrophobicContact CD1-CG2 4.13Å; V57-K61 WeakPolarHBondContact CA-O 3.41Å; V57-T62 HydrophobicContact CG1-CG2 4.39Å; V57-T62 HydrophobicContact CG2-CG2 4.23Å
58R85.5Confident81.9Confident97 Ų9761 Ų6137%0.36631%0.306SS..EExtended strand (participates in β ladder)trans-149.5129.6175.2-162.1-178-174.5128.36.4109.4G60 K61 Y63 Y68R58-G60 PolarHBondContact O-N 2.94Å; R58-K61 PolarHBondContact N-O 3.32Å; R58-K61 WeakPolarHBondContact O-CA 3.41Å; R58-K61 WeakPolarHBondContact O-CB 3.42Å; R58-K61 PolarHBondContact O-N 3.36Å; R58-K61 VanDerWaalsContact O-O 3.1Å; R58-Y63 HydrophobicContact CB-CD2 4.47Å; R58-Y63 HydrophobicContact CB-CE2 4.16Å; R58-Y68 HydrophobicContact CB-CE2 4.24Å
59D83.4Confident81.7Confident137 Ų13755.8 Ų55.873%0.73329%0.291SS*.THydrogen-bonded Turntrans52.741.9176.9-43.7-37.9000113K61D59-K61 PolarHBondContact O-N 2.87Å; D59-K61 VanDerWaalsContact O-N 3.16Å
60G78.5Confident81.6Confident52 Ų5261.3 Ų61.354%0.53631%0.312SS..THydrogen-bonded Turntrans74-9.3-175.900000115.6R58R58-G60 PolarHBondContact O-N 2.94Å
61K86.7Confident82.3Confident119 Ų11960.9 Ų60.952%0.51731%0.309SS..EExtended strand (participates in β ladder)trans-96.7144.8-178.8-65.7169.9-175.9172.30111.2A43 V57 R58 D59 Y63A43-K61 HydrophobicContact CB-CB 4.02Å; A43-K61 HydrophobicContact CB-CD 4.44Å; A43-K61 HydrophobicContact CB-CG 4.37Å; V57-K61 WeakPolarHBondContact CA-O 3.41Å; R58-K61 PolarHBondContact N-O 3.32Å; R58-K61 WeakPolarHBondContact O-CA 3.41Å; R58-K61 WeakPolarHBondContact O-CB 3.42Å; R58-K61 PolarHBondContact O-N 3.36Å; R58-K61 VanDerWaalsContact O-O 3.1Å; D59-K61 PolarHBondContact O-N 2.87Å; D59-K61 VanDerWaalsContact O-N 3.16Å; K61-Y63 HydrophobicContact CB-CD2 4.47Å; K61-Y63 HydrophobicContact CB-CE2 3.56Å; K61-Y63 WeakPolarHBondContact CD-OH 3.47Å
62T89.4Confident83.5Confident5 Ų560.1 Ų60.13%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-103.4142.4176.253.50000111W35 L40 K41 C42 A43 F56 V57W35-T62 HydrophobicContact CH2-CG2 3.5Å; W35-T62 VanDerWaalsContact CH2-CG2 3.5Å; W35-T62 HydrophobicContact CZ2-CG2 3.51Å; W35-T62 HydrophobicContact CZ3-CG2 4.12Å; L40-T62 HydrophobicContact CD1-CG2 3.94Å; K41-T62 PolarHBondContact O-OG1 2.91Å; K41-T62 VanDerWaalsContact O-OG1 3.12Å; C42-T62 CarbonylContact C-O 3.43Å; C42-T62 WeakPolarHBondContact CA-O 3.19Å; A43-T62 PolarHBondContact N-O 2.89Å; F56-T62 CarbonylContact O-C 3.59Å; F56-T62 WeakPolarHBondContact O-CA 3.36Å; V57-T62 HydrophobicContact CG1-CG2 4.39Å; V57-T62 HydrophobicContact CG2-CG2 4.23Å
63Y89.1Confident84.7Confident12 Ų1254.9 Ų54.95%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-133.1141.3-175.9-60.8-90.7000110.7A43 E44 C55 F56 R58 K61 Y68 L71 F72A43-Y63 HydrophobicContact CB-CD1 4.46Å; A43-Y63 HydrophobicContact CB-CE1 4.02Å; E44-Y63 HydrophobicContact CG-CD1 3.95Å; E44-Y63 HydrophobicContact CG-CE1 3.91Å; C55-Y63 WeakPolarHBondContact CA-O 3.45Å; F56-Y63 PolarHBondContact N-O 3.18Å; F56-Y63 PolarHBondContact O-N 2.84Å; R58-Y63 HydrophobicContact CB-CD2 4.47Å; R58-Y63 HydrophobicContact CB-CE2 4.16Å; K61-Y63 HydrophobicContact CB-CD2 4.47Å; K61-Y63 HydrophobicContact CB-CE2 3.56Å; K61-Y63 WeakPolarHBondContact CD-OH 3.47Å; Y63-Y68 HydrophobicContact CD2-CD2 4.25Å; Y63-Y68 HydrophobicContact CG-CD2 4.3Å; Y63-L71 HydrophobicContact CD1-CD1 4.15Å; Y63-L71 HydrophobicContact CE1-CD1 3.75Å; Y63-F72 HydrophobicContact CD1-CE2 4.02Å; Y63-F72 HydrophobicContact CD2-CE2 4.04Å; Y63-F72 AromaticContact CE1-CE2 3.76Å; Y63-F72 HydrophobicContact CE1-CE2 3.76Å; Y63-F72 HydrophobicContact CE1-CZ 4.12Å; Y63-F72 AromaticContact CE2-CE2 3.79Å; Y63-F72 HydrophobicContact CE2-CE2 3.79Å; Y63-F72 HydrophobicContact CE2-CZ 4.14Å; Y63-F72 HydrophobicContact CG-CE2 4.15Å; Y63-F72 AromaticContact CZ-CE2 3.64Å; Y63-F72 AromaticContact CZ-CZ 3.76Å
64C89.1Confident85.8Confident12 Ų1257 Ų578%0.08128%0.283CS..EExtended strand (participates in β ladder)trans-71.8155167.978.90000109.7C42 L49 R66 D67 Y68C42-C64 HydrophobicContact CB-CB 4.27Å; C42-C64 PolarHBondContact SG-N 2.89Å; C42-C64 VanDerWaalsContact SG-N 3.38Å; L49-C64 HydrophobicContact CD2-CB 3.58Å; C64-R66 PolarHBondContact O-N 2.88Å; C64-R66 VanDerWaalsContact O-N 3.09Å; C64-D67 PolarHBondContact O-N 3.39Å; C64-D67 VanDerWaalsContact O-N 3.14Å; C64-D67 PolarHBondContact SG-N 3.45Å; C64-D67 VanDerWaalsContact SG-N 3.42Å; C64-D67 PolarHBondContact SG-OD2 2.92Å; C64-Y68 WeakPolarHBondContact O-CB 3.46Å; C64-Y68 PolarHBondContact O-N 3.36Å
65K85.4Confident86.7Confident111 Ų11158.3 Ų58.348%0.48328%0.284SS..Hα-helixtrans-48.2-38.9178.7-175.6172.5177.5176.90114.3F56 A69F56-K65 HydrophobicContact CE2-CB 3.94Å; F56-K65 HydrophobicContact CE2-CG 4.08Å; K65-A69 WeakPolarHBondContact O-CB 3.36Å; K65-A69 PolarHBondContact O-N 2.82Å; K65-A69 VanDerWaalsContact O-N 3.15Å
66R86.3Confident87.2Confident156 Ų15658.2 Ų58.259%0.58928%0.283SS*.Hα-helixtrans-65.3-54.5178.1178.6-174.665.2-154.3-8.3111.8C64 A69 R70C64-R66 PolarHBondContact O-N 2.88Å; C64-R66 VanDerWaalsContact O-N 3.09Å; R66-A69 PolarHBondContact O-N 2.9Å; R66-R70 WeakPolarHBondContact O-CB 3.47Å; R66-R70 PolarHBondContact O-N 3.14Å
67D88.7Confident87.5Confident9 Ų959 Ų595%0.04829%0.294CS..Hα-helixtrans-73.3-31.9-175.6-74.3-64.8000112.3E44 C45 C64 R70 L71E44-D67 HydrophobicContact CB-CB 3.99Å; E44-D67 HydrophobicContact CG-CB 4.09Å; C45-D67 PolarHBondContact SG-OD2 3.09Å; C64-D67 PolarHBondContact O-N 3.39Å; C64-D67 VanDerWaalsContact O-N 3.14Å; C64-D67 PolarHBondContact SG-N 3.45Å; C64-D67 VanDerWaalsContact SG-N 3.42Å; C64-D67 PolarHBondContact SG-OD2 2.92Å; D67-R70 PolarHBondContact O-N 2.96Å; D67-R70 IonicContact OD1-CZ 3.7Å; D67-R70 VanDerWaalsContact OD1-CZ 3.23Å; D67-R70 IonicContact OD1-NE 3.76Å; D67-R70 PolarHBondContact OD1-NE 3.15Å; D67-R70 IonicContact OD1-NH2 2.74Å; D67-R70 PolarHBondContact OD1-NH2 3.06Å; D67-L71 WeakPolarHBondContact O-CB 3.43Å; D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 3.15Å
68Y88.8Confident87.8Confident6 Ų661.7 Ų61.72%0.02430%0.302CS..Hα-helixtrans-61.9-45.9170.9-169.6-104.8000111.9F56 R58 Y63 C64 F72 G73 V274F56-Y68 HydrophobicContact CB-CD1 3.77Å; F56-Y68 HydrophobicContact CB-CD2 3.37Å; F56-Y68 HydrophobicContact CB-CE1 3.99Å; F56-Y68 HydrophobicContact CB-CE2 3.62Å; F56-Y68 HydrophobicContact CB-CG 3.45Å; F56-Y68 VanDerWaalsContact CB-CG 3.45Å; F56-Y68 AromaticContact CD1-CD1 3.56Å; F56-Y68 HydrophobicContact CD1-CD1 3.56Å; F56-Y68 AromaticContact CD1-CE1 3.45Å; F56-Y68 HydrophobicContact CD1-CE1 3.45Å; F56-Y68 VanDerWaalsContact CD1-CE1 3.45Å; F56-Y68 HydrophobicContact CD1-CG 4.17Å; F56-Y68 AromaticContact CD1-CZ 3.97Å; F56-Y68 AromaticContact CD2-CD1 3.93Å; F56-Y68 HydrophobicContact CD2-CD1 3.93Å; F56-Y68 AromaticContact CD2-CG 4Å; F56-Y68 HydrophobicContact CD2-CG 4Å; F56-Y68 HydrophobicContact CE1-CD1 4.12Å; F56-Y68 HydrophobicContact CE1-CE1 4.08Å; F56-Y68 HydrophobicContact CE2-CD1 4.46Å; F56-Y68 AromaticContact CG-CD1 3.46Å; F56-Y68 HydrophobicContact CG-CD1 3.46Å; F56-Y68 VanDerWaalsContact CG-CD1 3.46Å; F56-Y68 HydrophobicContact CG-CD2 4.05Å; F56-Y68 AromaticContact CG-CE1 3.77Å; F56-Y68 HydrophobicContact CG-CE1 3.77Å; F56-Y68 HydrophobicContact CG-CE2 4.32Å; F56-Y68 AromaticContact CG-CG 3.6Å; F56-Y68 HydrophobicContact CG-CG 3.6Å; R58-Y68 HydrophobicContact CB-CE2 4.24Å; Y63-Y68 HydrophobicContact CD2-CD2 4.25Å; Y63-Y68 HydrophobicContact CG-CD2 4.3Å; C64-Y68 WeakPolarHBondContact O-CB 3.46Å; C64-Y68 PolarHBondContact O-N 3.36Å; Y68-F72 AromaticContact CD2-CD2 3.5Å; Y68-F72 HydrophobicContact CD2-CD2 3.5Å; Y68-F72 VanDerWaalsContact CD2-CD2 3.5Å; Y68-F72 HydrophobicContact CD2-CE2 4.11Å; Y68-F72 HydrophobicContact CD2-CG 4.44Å; Y68-F72 HydrophobicContact CE2-CB 4.41Å; Y68-F72 AromaticContact CE2-CD2 3.77Å; Y68-F72 HydrophobicContact CE2-CD2 3.77Å; Y68-F72 HydrophobicContact CE2-CE2 4.46Å; Y68-F72 HydrophobicContact CE2-CG 4.38Å; Y68-F72 HydrophobicContact CG-CD2 4.23Å; Y68-F72 WeakPolarHBondContact O-CA 3.31Å; Y68-F72 PolarHBondContact O-N 3.09Å; Y68-G73 PolarHBondContact O-N 2.6Å; Y68-V274 HydrophobicContact CE1-CB 4.06Å; Y68-V274 HydrophobicContact CE1-CG1 3.74Å; Y68-V274 HydrophobicContact CE1-CG2 4.25Å
69A84.9Confident88.2Confident26 Ų2659.4 Ų59.422%0.21530%0.301CS..Hα-helixtrans-66.3-37.9175.400000112.6K65 R66 G73K65-A69 WeakPolarHBondContact O-CB 3.36Å; K65-A69 PolarHBondContact O-N 2.82Å; K65-A69 VanDerWaalsContact O-N 3.15Å; R66-A69 PolarHBondContact O-N 2.9Å; A69-G73 VanDerWaalsContact O-CA 3.25Å; A69-G73 WeakPolarHBondContact O-CA 3.32Å; A69-G73 PolarHBondContact O-N 2.59Å
70R85.7Confident88.6Confident120 Ų12058.5 Ų58.545%0.45330%0.295SS..Hα-helixtrans-63.3-43.3176.9179.8179.562.778.5-1.4112.9E44 R66 D67 K75E44-R70 IonicContact OE2-CZ 2.7Å; E44-R70 IonicContact OE2-NH1 3.23Å; E44-R70 IonicContact OE2-NH2 2.8Å; E44-R70 PolarHBondContact OE2-NH2 2.89Å; R66-R70 WeakPolarHBondContact O-CB 3.47Å; R66-R70 PolarHBondContact O-N 3.14Å; D67-R70 PolarHBondContact O-N 2.96Å; D67-R70 IonicContact OD1-CZ 3.7Å; D67-R70 VanDerWaalsContact OD1-CZ 3.23Å; D67-R70 IonicContact OD1-NE 3.76Å; D67-R70 PolarHBondContact OD1-NE 3.15Å; D67-R70 IonicContact OD1-NH2 2.74Å; D67-R70 PolarHBondContact OD1-NH2 3.06Å; R70-K75 WeakPolarHBondContact O-CE 3.4Å
71L86.3Confident89.2Confident57 Ų5761.6 Ų61.630%0.29830%0.299SS..Hα-helixtrans-85-47.9-176.8-70.4-179.1000113.2E44 Y63 D67E44-L71 HydrophobicContact CG-CD1 3.63Å; Y63-L71 HydrophobicContact CD1-CD1 4.15Å; Y63-L71 HydrophobicContact CE1-CD1 3.75Å; D67-L71 WeakPolarHBondContact O-CB 3.43Å; D67-L71 WeakPolarHBondContact O-CG 3.4Å; D67-L71 PolarHBondContact O-N 3.15Å
72F87.8Confident89.3Confident61 Ų6157.7 Ų57.727%0.26829%0.293SS..Hα-helixtrans-120.7-1.5-165.4-46.2-71.5000113.9Y63 Y68Y63-F72 HydrophobicContact CD1-CE2 4.02Å; Y63-F72 HydrophobicContact CD2-CE2 4.04Å; Y63-F72 AromaticContact CE1-CE2 3.76Å; Y63-F72 HydrophobicContact CE1-CE2 3.76Å; Y63-F72 HydrophobicContact CE1-CZ 4.12Å; Y63-F72 AromaticContact CE2-CE2 3.79Å; Y63-F72 HydrophobicContact CE2-CE2 3.79Å; Y63-F72 HydrophobicContact CE2-CZ 4.14Å; Y63-F72 HydrophobicContact CG-CE2 4.15Å; Y63-F72 AromaticContact CZ-CE2 3.64Å; Y63-F72 AromaticContact CZ-CZ 3.76Å; Y68-F72 AromaticContact CD2-CD2 3.5Å; Y68-F72 HydrophobicContact CD2-CD2 3.5Å; Y68-F72 VanDerWaalsContact CD2-CD2 3.5Å; Y68-F72 HydrophobicContact CD2-CE2 4.11Å; Y68-F72 HydrophobicContact CD2-CG 4.44Å; Y68-F72 HydrophobicContact CE2-CB 4.41Å; Y68-F72 AromaticContact CE2-CD2 3.77Å; Y68-F72 HydrophobicContact CE2-CD2 3.77Å; Y68-F72 HydrophobicContact CE2-CE2 4.46Å; Y68-F72 HydrophobicContact CE2-CG 4.38Å; Y68-F72 HydrophobicContact CG-CD2 4.23Å; Y68-F72 WeakPolarHBondContact O-CA 3.31Å; Y68-F72 PolarHBondContact O-N 3.09Å
73G87.1Confident89.2Confident12 Ų1258.2 Ų58.212%0.12430%0.295CS..SBendtrans-71.2162.7172.700000112.1Y68 A69Y68-G73 PolarHBondContact O-N 2.6Å; A69-G73 VanDerWaalsContact O-CA 3.25Å; A69-G73 WeakPolarHBondContact O-CA 3.32Å; A69-G73 PolarHBondContact O-N 2.59Å
74I89.3Confident88.9Confident73 Ų7361.5 Ų61.537%0.37432%0.319SS..  trans-68.8135.7173.7-54.4173.4000108.5F83 V96I74-F83 HydrophobicContact CG2-CE2 4.19Å; I74-F83 VanDerWaalsContact O-CD2 3.32Å; I74-F83 WeakPolarHBondContact O-CD2 3.33Å; I74-V96 HydrophobicContact CG2-CB 4.04Å; I74-V96 HydrophobicContact CG2-CG2 3.71Å
75K92.3Very high88.5Confident91 Ų9165 Ų6540%0.39634%0.344SS..BIsolated β-bridgetrans-111.1159.9180-67.2171.3177.9-177.80110.8R70 D80 L81R70-K75 WeakPolarHBondContact O-CE 3.4Å; K75-D80 WeakPolarHBondContact CD-O 3.42Å; K75-D80 WeakPolarHBondContact CG-O 2.93Å; K75-L81 WeakPolarHBondContact CA-O 3.48Å
76C93.9Very high88.3Confident0 Ų063.8 Ų63.80%035%0.349CS..  trans-76.1123.2171.8173.10000111.1K78 C79 D80 L81 F83 V96 H98C76-K78 PolarHBondContact O-N 2.7Å; C76-C79 VanDerWaalsContact CB-SG 3.59Å; C76-C79 PolarHBondContact O-N 3.13Å; C76-D80 WeakPolarHBondContact O-CA 3.09Å; C76-D80 PolarHBondContact O-N 3.07Å; C76-L81 PolarHBondContact N-O 2.84Å; C76-F83 HydrophobicContact CB-CE1 4.08Å; C76-F83 HydrophobicContact CB-CZ 3.69Å; C76-V96 VanDerWaalsContact CA-O 3.31Å; C76-V96 WeakPolarHBondContact CA-O 3.25Å; C76-H98 VanDerWaalsContact CB-CE1 3.43Å; C76-H98 WeakPolarHBondContact CB-CE1 3.48Å; C76-H98 WeakPolarHBondContact CB-ND1 3.28Å
77A93.4Very high88.4Confident40 Ų4058.2 Ų58.233%0.33133%0.331SS..THydrogen-bonded Turntrans-71.833.5178.800000114.4N95 V96 Y97A77-N95 HydrophobicContact CB-CB 3.94Å; A77-V96 PolarHBondContact N-O 3.46Å; A77-V96 VanDerWaalsContact N-O 3.09Å; A77-Y97 HydrophobicContact CB-CD1 4.48Å; A77-Y97 HydrophobicContact CB-CE1 3.86Å
78K93.1Very high88.6Confident100 Ų10061.6 Ų61.644%0.43535%0.349SS..THydrogen-bonded Turntrans-145.1-27.8175.1-173.8173.7-176.7167.80113.3C76 Y97 C101 R103C76-K78 PolarHBondContact O-N 2.7Å; K78-Y97 HydrophobicContact CB-CD1 4.1Å; K78-Y97 HydrophobicContact CB-CE1 4.33Å; K78-C101 HydrophobicContact CB-CB 4.3Å; K78-C101 HydrophobicContact CD-CB 4.07Å; K78-C101 WeakPolarHBondContact CD-O 3.33Å; K78-C101 PolarHBondContact NZ-O 3.04Å; K78-R103 PolarHBondContact NZ-O 3.12Å
79C93.6Very high88.9Confident49 Ų4961.3 Ų61.333%0.33135%0.347SS..THydrogen-bonded Turntrans-129.9-0.9-179.968.30000113.9C76 L81C76-C79 VanDerWaalsContact CB-SG 3.59Å; C76-C79 PolarHBondContact O-N 3.13Å; C79-L81 PolarHBondContact O-N 3.13Å
80D91.3Very high89.4Confident117 Ų11760.4 Ų60.463%0.62634%0.339SS*.  trans55.95.2-179.1-67.3-64.2000116.7K75 C76K75-D80 WeakPolarHBondContact CD-O 3.42Å; K75-D80 WeakPolarHBondContact CG-O 2.93Å; C76-D80 WeakPolarHBondContact O-CA 3.09Å; C76-D80 PolarHBondContact O-N 3.07Å
81L90.5Very high89.7Confident117 Ų11760.2 Ų60.261%0.61334%0.338SS*.  trans-74.7145.9171.2-58.1-178.1000110.7K75 C76 C79K75-L81 WeakPolarHBondContact CA-O 3.48Å; C76-L81 PolarHBondContact N-O 2.84Å; C79-L81 PolarHBondContact O-N 3.13Å
82G88.7Confident90Very high38 Ų3857.7 Ų57.739%0.39233%0.326SS..BIsolated β-bridgetrans-74179.2172.700000113.3H98G82-H98 PolarHBondContact O-NE2 3.32Å; G82-H98 VanDerWaalsContact O-NE2 3.15Å
83F88.1Confident90Very high15 Ų1561.4 Ų61.47%0.06634%0.338CS..  trans-109.8138.7178-56.5-72.1000111.5I74 C76 D87 V89 V96 H98 H270I74-F83 HydrophobicContact CG2-CE2 4.19Å; I74-F83 VanDerWaalsContact O-CD2 3.32Å; I74-F83 WeakPolarHBondContact O-CD2 3.33Å; C76-F83 HydrophobicContact CB-CE1 4.08Å; C76-F83 HydrophobicContact CB-CZ 3.69Å; F83-D87 HydrophobicContact CB-CB 4.49Å; F83-V89 HydrophobicContact CD1-CG1 3.34Å; F83-V89 HydrophobicContact CD2-CG1 4.44Å; F83-V89 HydrophobicContact CE1-CB 4.47Å; F83-V89 HydrophobicContact CE1-CG1 3.43Å; F83-V89 VanDerWaalsContact CE1-CG1 3.43Å; F83-V89 HydrophobicContact CG-CG1 3.88Å; F83-V89 HydrophobicContact CZ-CG1 4.05Å; F83-V96 HydrophobicContact CD2-CG1 4.39Å; F83-V96 HydrophobicContact CE1-CG1 4.4Å; F83-V96 HydrophobicContact CE2-CB 3.92Å; F83-V96 HydrophobicContact CE2-CG1 3.57Å; F83-V96 HydrophobicContact CZ-CB 4.03Å; F83-V96 HydrophobicContact CZ-CG1 3.57Å; F83-H98 AromaticContact CD1-CD2 3.53Å; F83-H98 AromaticContact CD1-CE1 3.91Å; F83-H98 AromaticContact CD1-NE2 3.37Å; F83-H98 WeakPolarHBondContact CD1-NE2 3.25Å; F83-H98 HydrophobicContact CE1-CB 4.46Å; F83-H98 AromaticContact CE1-CD2 3.54Å; F83-H98 AromaticContact CE1-CE1 3.55Å; F83-H98 AromaticContact CE1-CG 3.65Å; F83-H98 AromaticContact CE1-ND1 3.67Å; F83-H98 AromaticContact CE1-NE2 3.46Å; F83-H98 WeakPolarHBondContact CE1-NE2 3.22Å; F83-H270 HydrophobicContact CB-CB 4.02Å; F83-H270 AromaticContact CD2-CD2 3.44Å; F83-H270 VanDerWaalsContact CD2-CD2 3.44Å; F83-H270 WeakPolarHBondContact CD2-CD2 3.1Å; F83-H270 AromaticContact CD2-NE2 3.66Å; F83-H270 HydrophobicContact CG-CB 4.42Å; F83-H270 AromaticContact CG-CD2 3.81Å; F83-H270 AromaticContact CG-CG 3.97Å
84C83.4Confident89.9Confident81 Ų8163.8 Ų63.855%0.54736%0.363SS..  trans-76.9155.6166.5-72.80000110.2S86 D87C84-S86 WeakPolarHBondContact CB-OG 3.43Å; C84-S86 PolarHBondContact O-N 3.4Å; C84-S86 VanDerWaalsContact O-N 3.07Å; C84-D87 WeakPolarHBondContact CB-OD1 3.31Å; C84-D87 PolarHBondContact N-OD2 3.15Å; C84-D87 WeakPolarHBondContact O-CB 3.16Å; C84-D87 VanDerWaalsContact O-CG 3.32Å; C84-D87 PolarHBondContact O-N 2.81Å
85S79.1Confident90Very high87 Ų8762.5 Ų62.561%0.60836%0.356SS*.THydrogen-bonded Turntrans-68-7-178.949.40000114.7
86S82Confident90.1Very high85 Ų8558.3 Ų58.359%0.59434%0.338SS*.THydrogen-bonded Turntrans-82.2-21.9171.340.20000113.6C84C84-S86 WeakPolarHBondContact CB-OG 3.43Å; C84-S86 PolarHBondContact O-N 3.4Å; C84-S86 VanDerWaalsContact O-N 3.07Å
87D89.3Confident90.2Very high39 Ų3958.4 Ų58.421%0.20934%0.339CS..  trans-77.3144.4-153.5-63.3-1.2000112.6F83 C84 R269 H270F83-D87 HydrophobicContact CB-CB 4.49Å; C84-D87 WeakPolarHBondContact CB-OD1 3.31Å; C84-D87 PolarHBondContact N-OD2 3.15Å; C84-D87 WeakPolarHBondContact O-CB 3.16Å; C84-D87 VanDerWaalsContact O-CG 3.32Å; C84-D87 PolarHBondContact O-N 2.81Å; D87-R269 CarbonylContact O-C 3.57Å; D87-R269 WeakPolarHBondContact O-CA 3.37Å; D87-H270 PolarHBondContact O-N 3.31Å
88L91.8Very high90.2Very high80 Ų8057.8 Ų57.842%0.41933%0.329SS..EExtended strand (participates in β ladder)trans-93.2132.2165.5-66.9176.3000108.5M99 P267 I268 R269L88-M99 HydrophobicContact CB-CG 4.37Å; L88-M99 HydrophobicContact CB-SD 3.54Å; L88-M99 VanDerWaalsContact CB-SD 3.54Å; L88-M99 HydrophobicContact CD1-SD 4.16Å; L88-P267 HydrophobicContact CB-CB 3.96Å; L88-I268 CarbonylContact C-O 3.53Å; L88-I268 WeakPolarHBondContact CA-O 3.32Å; L88-R269 HydrophobicContact CD2-CG 3.73Å
89V94.5Very high90.3Very high0 Ų056.3 Ų56.30%032%0.324CS..EExtended strand (participates in β ladder)trans-128.4145.5-175.3-64.40000111.8F83 V96 Y97 I268 H270F83-V89 HydrophobicContact CD1-CG1 3.34Å; F83-V89 HydrophobicContact CD2-CG1 4.44Å; F83-V89 HydrophobicContact CE1-CB 4.47Å; F83-V89 HydrophobicContact CE1-CG1 3.43Å; F83-V89 VanDerWaalsContact CE1-CG1 3.43Å; F83-V89 HydrophobicContact CG-CG1 3.88Å; F83-V89 HydrophobicContact CZ-CG1 4.05Å; V89-V96 HydrophobicContact CB-CG1 3.64Å; V89-V96 HydrophobicContact CG1-CG1 4.05Å; V89-V96 HydrophobicContact CG2-CG1 3.72Å; V89-Y97 WeakPolarHBondContact CA-O 3.46Å; V89-Y97 WeakPolarHBondContact CB-O 3.43Å; V89-I268 HydrophobicContact CG2-CG1 4.11Å; V89-I268 WeakPolarHBondContact CG2-O 3.44Å; V89-I268 PolarHBondContact N-O 2.6Å; V89-I268 PolarHBondContact O-N 2.79Å; V89-I268 VanDerWaalsContact O-N 3.09Å; V89-H270 HydrophobicContact CG1-CB 3.89Å; V89-H270 HydrophobicContact CG2-CB 4Å
90M95.2Very high90.3Very high7 Ų759.7 Ų59.73%0.03434%0.336CS..EExtended strand (participates in β ladder)trans-91.2148.5169.8-60.4-62.7-81.400109V96 Y97 M99 F102 A264 G265 P267M90-V96 WeakPolarHBondContact O-CA 3.42Å; M90-Y97 PolarHBondContact N-O 2.7Å; M90-Y97 PolarHBondContact O-N 2.92Å; M90-M99 HydrophobicContact CG-CG 4.43Å; M90-F102 HydrophobicContact CB-CB 3.86Å; M90-F102 HydrophobicContact CB-CD1 3.86Å; M90-F102 HydrophobicContact CB-CD2 3.58Å; M90-F102 HydrophobicContact CB-CE1 4.31Å; M90-F102 HydrophobicContact CB-CE2 4.05Å; M90-F102 HydrophobicContact CB-CG 3.48Å; M90-F102 VanDerWaalsContact CB-CG 3.48Å; M90-F102 HydrophobicContact CB-CZ 4.4Å; M90-F102 HydrophobicContact CE-CD1 3.5Å; M90-F102 HydrophobicContact CE-CE1 3.54Å; M90-F102 HydrophobicContact CE-CG 4.36Å; M90-F102 HydrophobicContact CE-CZ 4.42Å; M90-F102 HydrophobicContact CG-CB 3.71Å; M90-F102 HydrophobicContact CG-CD1 3.74Å; M90-F102 HydrophobicContact CG-CD2 4.29Å; M90-F102 HydrophobicContact CG-CE1 4.45Å; M90-F102 HydrophobicContact CG-CG 3.65Å; M90-A264 HydrophobicContact CE-CB 4.05Å; M90-G265 VanDerWaalsContact CE-O 3.27Å; M90-G265 WeakPolarHBondContact CE-O 3.41Å; M90-P267 HydrophobicContact SD-CB 4.09Å; M90-P267 HydrophobicContact SD-CG 3.67Å
91R93.7Very high90.5Very high115 Ų11555.1 Ų55.143%0.43431%0.312SS..EExtended strand (participates in β ladder)trans-131.6135.4175.7-65.3-164.1179.2-124.83.7111.3N95 V96 I268R91-N95 VanDerWaalsContact CA-O 3.27Å; R91-N95 WeakPolarHBondContact CA-O 3.45Å; R91-V96 HydrophobicContact CG-CG1 4.25Å; R91-V96 HydrophobicContact CG-CG2 4.1Å; R91-V96 VanDerWaalsContact CZ-CG2 3.49Å; R91-V96 VanDerWaalsContact NH1-CG2 3.29Å; R91-I268 HydrophobicContact CG-CD1 4.37Å
92A91.3Very high90.8Very high5 Ų549.7 Ų49.74%0.04128%0.284CS..EExtended strand (participates in β ladder)trans-143.5129177.100000110.1G94 N95 Y97 F102 F117A92-G94 PolarHBondContact O-N 2.87Å; A92-N95 PolarHBondContact N-O 3.18Å; A92-N95 VanDerWaalsContact N-O 3.12Å; A92-N95 WeakPolarHBondContact O-CB 3.36Å; A92-N95 PolarHBondContact O-N 3.09Å; A92-Y97 HydrophobicContact CB-CE2 4.25Å; A92-F102 HydrophobicContact CB-CE2 4.04Å; A92-F102 HydrophobicContact CB-CZ 4.39Å; A92-F117 HydrophobicContact CB-CE2 3.9Å; A92-F117 HydrophobicContact CB-CZ 3.74Å
93R87.6Confident91.1Very high139 Ų13951.9 Ų51.953%0.52528%0.28SS..THydrogen-bonded Turntrans48.115.7-179.7-54.2-162.2177-138.8-4.5117.4L119 T260 L262R93-L119 HydrophobicContact CB-CD2 3.79Å; R93-L119 HydrophobicContact CG-CB 4.4Å; R93-L119 HydrophobicContact CG-CD2 3.83Å; R93-T260 PolarHBondContact NH2-O 2.83Å; R93-T260 PolarHBondContact NH2-OG1 3.02Å; R93-L262 HydrophobicContact CG-CD1 3.76Å
94G86.3Confident91.5Very high62 Ų6251.2 Ų51.264%0.63928%0.277SS*.THydrogen-bonded Turntrans119.8-34.8-178.200000112.5A92A92-G94 PolarHBondContact O-N 2.87Å
95N91.8Very high92Very high45 Ų4549.6 Ų49.624%0.24127%0.267CS..EExtended strand (participates in β ladder)trans-64.6156.5176.5-64.5-8.7000112.2A77 R91 A92 Y97 D122A77-N95 HydrophobicContact CB-CB 3.94Å; R91-N95 VanDerWaalsContact CA-O 3.27Å; R91-N95 WeakPolarHBondContact CA-O 3.45Å; A92-N95 PolarHBondContact N-O 3.18Å; A92-N95 VanDerWaalsContact N-O 3.12Å; A92-N95 WeakPolarHBondContact O-CB 3.36Å; A92-N95 PolarHBondContact O-N 3.09Å; N95-Y97 HydrophobicContact CB-CD2 4.47Å; N95-Y97 HydrophobicContact CB-CE2 3.54Å; N95-Y97 PolarHBondContact ND2-OH 2.82Å; N95-Y97 VanDerWaalsContact ND2-OH 3.16Å; N95-D122 PolarHBondContact ND2-OD1 3.03Å
96V93.9Very high92.6Very high4 Ų450 Ų502%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-125.7143.4179.4-167.60000109I74 C76 A77 F83 V89 M90 R91I74-V96 HydrophobicContact CG2-CB 4.04Å; I74-V96 HydrophobicContact CG2-CG2 3.71Å; C76-V96 VanDerWaalsContact CA-O 3.31Å; C76-V96 WeakPolarHBondContact CA-O 3.25Å; A77-V96 PolarHBondContact N-O 3.46Å; A77-V96 VanDerWaalsContact N-O 3.09Å; F83-V96 HydrophobicContact CD2-CG1 4.39Å; F83-V96 HydrophobicContact CE1-CG1 4.4Å; F83-V96 HydrophobicContact CE2-CB 3.92Å; F83-V96 HydrophobicContact CE2-CG1 3.57Å; F83-V96 HydrophobicContact CZ-CB 4.03Å; F83-V96 HydrophobicContact CZ-CG1 3.57Å; V89-V96 HydrophobicContact CB-CG1 3.64Å; V89-V96 HydrophobicContact CG1-CG1 4.05Å; V89-V96 HydrophobicContact CG2-CG1 3.72Å; M90-V96 WeakPolarHBondContact O-CA 3.42Å; R91-V96 HydrophobicContact CG-CG1 4.25Å; R91-V96 HydrophobicContact CG-CG2 4.1Å; R91-V96 VanDerWaalsContact CZ-CG2 3.49Å; R91-V96 VanDerWaalsContact NH1-CG2 3.29Å
97Y94.8Very high93.2Very high1 Ų148.7 Ų48.70%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-140.6144.6-177.5-53.3-97.2000111.1A77 K78 V89 M90 A92 N95 F102 L124A77-Y97 HydrophobicContact CB-CD1 4.48Å; A77-Y97 HydrophobicContact CB-CE1 3.86Å; K78-Y97 HydrophobicContact CB-CD1 4.1Å; K78-Y97 HydrophobicContact CB-CE1 4.33Å; V89-Y97 WeakPolarHBondContact CA-O 3.46Å; V89-Y97 WeakPolarHBondContact CB-O 3.43Å; M90-Y97 PolarHBondContact N-O 2.7Å; M90-Y97 PolarHBondContact O-N 2.92Å; A92-Y97 HydrophobicContact CB-CE2 4.25Å; N95-Y97 HydrophobicContact CB-CD2 4.47Å; N95-Y97 HydrophobicContact CB-CE2 3.54Å; N95-Y97 PolarHBondContact ND2-OH 2.82Å; N95-Y97 VanDerWaalsContact ND2-OH 3.16Å; Y97-F102 AromaticContact CD2-CD2 3.66Å; Y97-F102 HydrophobicContact CD2-CD2 3.66Å; Y97-F102 AromaticContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CE2-CD2 4.33Å; Y97-F102 HydrophobicContact CE2-CE2 4.26Å; Y97-F102 AromaticContact CG-CD2 3.83Å; Y97-F102 HydrophobicContact CG-CD2 3.83Å; Y97-L124 HydrophobicContact CD1-CD1 4.29Å; Y97-L124 HydrophobicContact CE1-CD1 4.12Å
98H95.4Very high93.4Very high27 Ų2750.2 Ų50.213%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-61.5153.4163.5-54.287.4000109.3C76 G82 F83 E100 C101 F102C76-H98 VanDerWaalsContact CB-CE1 3.43Å; C76-H98 WeakPolarHBondContact CB-CE1 3.48Å; C76-H98 WeakPolarHBondContact CB-ND1 3.28Å; G82-H98 PolarHBondContact O-NE2 3.32Å; G82-H98 VanDerWaalsContact O-NE2 3.15Å; F83-H98 AromaticContact CD1-CD2 3.53Å; F83-H98 AromaticContact CD1-CE1 3.91Å; F83-H98 AromaticContact CD1-NE2 3.37Å; F83-H98 WeakPolarHBondContact CD1-NE2 3.25Å; F83-H98 HydrophobicContact CE1-CB 4.46Å; F83-H98 AromaticContact CE1-CD2 3.54Å; F83-H98 AromaticContact CE1-CE1 3.55Å; F83-H98 AromaticContact CE1-CG 3.65Å; F83-H98 AromaticContact CE1-ND1 3.67Å; F83-H98 AromaticContact CE1-NE2 3.46Å; F83-H98 WeakPolarHBondContact CE1-NE2 3.22Å; H98-E100 PolarHBondContact O-N 2.97Å; H98-C101 HydrophobicContact CB-CB 4.17Å; H98-C101 WeakPolarHBondContact O-CB 3.37Å; H98-C101 PolarHBondContact O-N 3.43Å; H98-F102 PolarHBondContact O-N 3.23Å
99M93.3Very high93.6Very high69 Ų6951.5 Ų51.534%0.3427%0.269SS..THydrogen-bonded Turntrans-58.5-37178.8-73-178.557.200111.9L88 M90 C101 F102 P267L88-M99 HydrophobicContact CB-CG 4.37Å; L88-M99 HydrophobicContact CB-SD 3.54Å; L88-M99 VanDerWaalsContact CB-SD 3.54Å; L88-M99 HydrophobicContact CD1-SD 4.16Å; M90-M99 HydrophobicContact CG-CG 4.43Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.86Å; M99-F102 PolarHBondContact O-N 3.15Å; M99-P267 HydrophobicContact CE-CB 4.5Å; M99-P267 HydrophobicContact CE-CG 3.89Å; M99-P267 HydrophobicContact CG-CB 4.31Å; M99-P267 HydrophobicContact CG-CG 4.36Å; M99-P267 HydrophobicContact SD-CB 3.79Å; M99-P267 HydrophobicContact SD-CG 3.83Å
100E93.9Very high93.6Very high121 Ų12154.9 Ų54.957%0.56528%0.284SS*.THydrogen-bonded Turntrans-72.9-25.1179.3-57.964.5-138.600111.8H98 R103H98-E100 PolarHBondContact O-N 2.97Å; E100-R103 VanDerWaalsContact O-CD 3.25Å; E100-R103 WeakPolarHBondContact O-CD 3.46Å; E100-R103 PolarHBondContact O-NE 3.16Å
101C95.3Very high93.5Very high21 Ų2154.7 Ų54.714%0.14228%0.284CS..THydrogen-bonded Turntrans-82.1-30.8176.6-75.60000112.3K78 H98 M99 R103K78-C101 HydrophobicContact CB-CB 4.3Å; K78-C101 HydrophobicContact CD-CB 4.07Å; K78-C101 WeakPolarHBondContact CD-O 3.33Å; K78-C101 PolarHBondContact NZ-O 3.04Å; H98-C101 HydrophobicContact CB-CB 4.17Å; H98-C101 WeakPolarHBondContact O-CB 3.37Å; H98-C101 PolarHBondContact O-N 3.43Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.86Å; C101-R103 VanDerWaalsContact C-N 3.26Å; C101-R103 PolarHBondContact O-N 3.03Å
102F96.6Very high93.5Very high3 Ų354 Ų541%0.01329%0.288CS..  trans-7475.5-174.1-159.5-104.3000112.3M90 A92 Y97 H98 M99 L111 F117 L124 A264M90-F102 HydrophobicContact CB-CB 3.86Å; M90-F102 HydrophobicContact CB-CD1 3.86Å; M90-F102 HydrophobicContact CB-CD2 3.58Å; M90-F102 HydrophobicContact CB-CE1 4.31Å; M90-F102 HydrophobicContact CB-CE2 4.05Å; M90-F102 HydrophobicContact CB-CG 3.48Å; M90-F102 VanDerWaalsContact CB-CG 3.48Å; M90-F102 HydrophobicContact CB-CZ 4.4Å; M90-F102 HydrophobicContact CE-CD1 3.5Å; M90-F102 HydrophobicContact CE-CE1 3.54Å; M90-F102 HydrophobicContact CE-CG 4.36Å; M90-F102 HydrophobicContact CE-CZ 4.42Å; M90-F102 HydrophobicContact CG-CB 3.71Å; M90-F102 HydrophobicContact CG-CD1 3.74Å; M90-F102 HydrophobicContact CG-CD2 4.29Å; M90-F102 HydrophobicContact CG-CE1 4.45Å; M90-F102 HydrophobicContact CG-CG 3.65Å; A92-F102 HydrophobicContact CB-CE2 4.04Å; A92-F102 HydrophobicContact CB-CZ 4.39Å; Y97-F102 AromaticContact CD2-CD2 3.66Å; Y97-F102 HydrophobicContact CD2-CD2 3.66Å; Y97-F102 AromaticContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CD2-CE2 3.93Å; Y97-F102 HydrophobicContact CE2-CD2 4.33Å; Y97-F102 HydrophobicContact CE2-CE2 4.26Å; Y97-F102 AromaticContact CG-CD2 3.83Å; Y97-F102 HydrophobicContact CG-CD2 3.83Å; H98-F102 PolarHBondContact O-N 3.23Å; M99-F102 PolarHBondContact O-N 3.15Å; F102-L111 HydrophobicContact CD1-CB 3.69Å; F102-L111 VanDerWaalsContact CD1-O 3.29Å; F102-L111 WeakPolarHBondContact CD1-O 3.47Å; F102-L111 HydrophobicContact CE1-CB 3.61Å; F102-L111 HydrophobicContact CE1-CD1 4.29Å; F102-L111 PolarHBondContact O-N 3.42Å; F102-F117 HydrophobicContact CZ-CD2 4.48Å; F102-F117 HydrophobicContact CZ-CE1 4.08Å; F102-F117 AromaticContact CZ-CE2 3.98Å; F102-F117 HydrophobicContact CZ-CE2 3.98Å; F102-F117 AromaticContact CZ-CZ 3.77Å; F102-F117 HydrophobicContact CZ-CZ 3.77Å; F102-L124 HydrophobicContact CD2-CD1 3.47Å; F102-L124 VanDerWaalsContact CD2-CD1 3.47Å; F102-L124 HydrophobicContact CD2-CD2 4.2Å; F102-L124 HydrophobicContact CE2-CD1 3.74Å; F102-L124 HydrophobicContact CE2-CD2 3.55Å; F102-L124 HydrophobicContact CE2-CG 4.33Å; F102-L124 HydrophobicContact CG-CD1 4.13Å; F102-L124 HydrophobicContact CZ-CD2 3.97Å; F102-A264 HydrophobicContact CE1-CB 4.06Å
103R96.3Very high93.5Very high84 Ų8456.7 Ų56.732%0.31731%0.305SS..BIsolated β-bridgetrans-137.7151.4-173.2-62.2170.6178-116.211.1110.5K78 E100 C101 S108 R109 H110K78-R103 PolarHBondContact NZ-O 3.12Å; E100-R103 VanDerWaalsContact O-CD 3.25Å; E100-R103 WeakPolarHBondContact O-CD 3.46Å; E100-R103 PolarHBondContact O-NE 3.16Å; C101-R103 VanDerWaalsContact C-N 3.26Å; C101-R103 PolarHBondContact O-N 3.03Å; R103-S108 WeakPolarHBondContact CD-O 3.35Å; R103-S108 PolarHBondContact NH1-O 3.01Å; R103-S108 VanDerWaalsContact NH1-O 3.07Å; R103-R109 CarbonylContact C-O 3.5Å; R103-R109 WeakPolarHBondContact CA-O 3.23Å; R103-R109 WeakPolarHBondContact CB-O 3.33Å; R103-H110 VanDerWaalsContact CZ-CE1 3.46Å; R103-H110 PolarHBondContact NE-NE2 3.29Å; R103-H110 PolarHBondContact NH2-CE1 3.25Å; R103-H110 PolarHBondContact NH2-NE2 3.24Å; R103-H110 VanDerWaalsContact NH2-NE2 3.1Å
104C95.3Very high93.7Very high0 Ų052.6 Ų52.60%031%0.306CS..  trans-54.5139.2170.1-171.40000112V106 C107 S108 R109 L124 C126 D129C104-V106 PolarHBondContact SG-N 2.96Å; C104-C107 VanDerWaalsContact CB-SG 3.53Å; C104-S108 VanDerWaalsContact O-CA 3.28Å; C104-S108 WeakPolarHBondContact O-CA 3.49Å; C104-S108 PolarHBondContact O-N 3.45Å; C104-R109 PolarHBondContact N-O 3.07Å; C104-L124 CarbonylContact C-O 3.58Å; C104-L124 VanDerWaalsContact CA-O 3.23Å; C104-L124 WeakPolarHBondContact CA-O 3.36Å; C104-C126 HydrophobicContact CB-CB 4.23Å; C104-C126 PolarHBondContact SG-N 2.86Å; C104-C126 VanDerWaalsContact SG-N 3.36Å; C104-D129 PolarHBondContact SG-OD2 3.34Å
105S93.8Very high94Very high47 Ų4751.4 Ų51.433%0.32929%0.285SS..THydrogen-bonded Turntrans-67.3-37.4173.455.70000112.4E123 L124 L125S105-E123 WeakPolarHBondContact CB-OE2 3.46Å; S105-E123 PolarHBondContact OG-OE2 2.78Å; S105-L124 PolarHBondContact N-O 2.78Å; S105-L124 PolarHBondContact OG-O 3.44Å; S105-L125 WeakPolarHBondContact OG-CD2 3.44Å
106V92.6Very high94Very high95 Ų9553.4 Ų53.458%0.57629%0.293SS*.THydrogen-bonded Turntrans-78-69.4-179.2178.70000111.6C104 S108 L125 D129C104-V106 PolarHBondContact SG-N 2.96Å; V106-S108 PolarHBondContact O-N 3.32Å; V106-L125 HydrophobicContact CG2-CD2 3.65Å; V106-D129 HydrophobicContact CB-CB 4.11Å; V106-D129 HydrophobicContact CG1-CB 4.39Å; V106-D129 HydrophobicContact CG2-CB 4.36Å
107C93.9Very high94Very high59 Ų5953.5 Ų53.540%0.39929%0.293SS..THydrogen-bonded Turntrans-86.7-0.7-172.569.90000115.2C104 R109 D129C104-C107 VanDerWaalsContact CB-SG 3.53Å; C107-R109 PolarHBondContact O-N 3.44Å; C107-R109 VanDerWaalsContact SG-CB 3.5Å; C107-D129 PolarHBondContact SG-OD2 3.21Å
108S94.1Very high93.9Very high71 Ų7153.5 Ų53.550%0.49729%0.293SS..  trans55.98.6-177-69.70000116.8R103 C104 V106R103-S108 WeakPolarHBondContact CD-O 3.35Å; R103-S108 PolarHBondContact NH1-O 3.01Å; R103-S108 VanDerWaalsContact NH1-O 3.07Å; C104-S108 VanDerWaalsContact O-CA 3.28Å; C104-S108 WeakPolarHBondContact O-CA 3.49Å; C104-S108 PolarHBondContact O-N 3.45Å; V106-S108 PolarHBondContact O-N 3.32Å
109R95.1Very high93.7Very high106 Ų10652.8 Ų52.840%0.429%0.291SS..  trans-65.4134.4174.7-166.3-175.975.878.4-5.3110.5R103 C104 C107 D115R103-R109 CarbonylContact C-O 3.5Å; R103-R109 WeakPolarHBondContact CA-O 3.23Å; R103-R109 WeakPolarHBondContact CB-O 3.33Å; C104-R109 PolarHBondContact N-O 3.07Å; C107-R109 PolarHBondContact O-N 3.44Å; C107-R109 VanDerWaalsContact SG-CB 3.5Å; R109-D115 IonicContact CZ-OD2 2.79Å; R109-D115 IonicContact NH1-OD2 2.81Å; R109-D115 PolarHBondContact NH1-OD2 3.19Å; R109-D115 IonicContact NH2-OD2 2.71Å; R109-D115 PolarHBondContact NH2-OD2 3.12Å
110H94.6Very high93.4Very high71 Ų7153.7 Ų53.733%0.32929%0.29SS..BIsolated β-bridgetrans-59139.1168.1-68116000110.7R103 L112R103-H110 VanDerWaalsContact CZ-CE1 3.46Å; R103-H110 PolarHBondContact NE-NE2 3.29Å; R103-H110 PolarHBondContact NH2-CE1 3.25Å; R103-H110 PolarHBondContact NH2-NE2 3.24Å; R103-H110 VanDerWaalsContact NH2-NE2 3.1Å; H110-L112 HydrophobicContact CB-CD2 4.15Å; H110-L112 HydrophobicContact CB-CG 4.5Å
111L94.6Very high92.9Very high3 Ų354.8 Ų54.82%0.01630%0.3CS..  trans-97.194.1174.1-60.5172000107.8F102 D115 F117 L124 C126F102-L111 HydrophobicContact CD1-CB 3.69Å; F102-L111 VanDerWaalsContact CD1-O 3.29Å; F102-L111 WeakPolarHBondContact CD1-O 3.47Å; F102-L111 HydrophobicContact CE1-CB 3.61Å; F102-L111 HydrophobicContact CE1-CD1 4.29Å; F102-L111 PolarHBondContact O-N 3.42Å; L111-D115 WeakPolarHBondContact CA-OD2 3.36Å; L111-F117 HydrophobicContact CD1-CB 3.76Å; L111-F117 HydrophobicContact CD1-CD2 4.17Å; L111-F117 HydrophobicContact CD1-CG 4.05Å; L111-F117 HydrophobicContact CD2-CB 4.1Å; L111-F117 HydrophobicContact CG-CB 4.44Å; L111-L124 HydrophobicContact CD1-CB 3.92Å; L111-L124 HydrophobicContact CD1-CD2 4.3Å; L111-C126 HydrophobicContact CD2-CB 3.58Å
112L92.8Very high92.2Very high100 Ų10058.6 Ų58.652%0.52432%0.319SS..  trans-77.9153.8-173.6-65.4-177.4000111.2H110 G114 D115 A264H110-L112 HydrophobicContact CB-CD2 4.15Å; H110-L112 HydrophobicContact CB-CG 4.5Å; L112-G114 PolarHBondContact O-N 3.33Å; L112-G114 VanDerWaalsContact O-N 3.17Å; L112-D115 PolarHBondContact N-OD2 3.37Å; L112-D115 WeakPolarHBondContact O-CB 3.41Å; L112-D115 VanDerWaalsContact O-CG 3.28Å; L112-D115 PolarHBondContact O-N 3.14Å; L112-A264 VanDerWaalsContact O-CB 3.27Å; L112-A264 WeakPolarHBondContact O-CB 3.45Å
113P92.3Very high91.9Very high63 Ų6363.5 Ų63.541%0.40934%0.342SS..THydrogen-bonded Turntrans-57.8121.9179.124.5-36.3000112.1A264P113-A264 CarbonylContact C-O 3.59Å; P113-A264 VanDerWaalsContact CA-O 3.29Å; P113-A264 WeakPolarHBondContact CA-O 3.37Å
114G90.3Very high91.8Very high53 Ų5359.8 Ų59.855%0.54633%0.328SS..THydrogen-bonded Turntrans107.3-20.2-168.600000114.4L112 A264L112-G114 PolarHBondContact O-N 3.33Å; L112-G114 VanDerWaalsContact O-N 3.17Å; G114-A264 PolarHBondContact N-O 3.43Å
115D92.9Very high91.7Very high37 Ų3760 Ų6020%0.19833%0.329CS..  trans-69141.4176.6-72.60.4000111.9R109 L111 L112 V263 A264R109-D115 IonicContact CZ-OD2 2.79Å; R109-D115 IonicContact NH1-OD2 2.81Å; R109-D115 PolarHBondContact NH1-OD2 3.19Å; R109-D115 IonicContact NH2-OD2 2.71Å; R109-D115 PolarHBondContact NH2-OD2 3.12Å; L111-D115 WeakPolarHBondContact CA-OD2 3.36Å; L112-D115 PolarHBondContact N-OD2 3.37Å; L112-D115 WeakPolarHBondContact O-CB 3.41Å; L112-D115 VanDerWaalsContact O-CG 3.28Å; L112-D115 PolarHBondContact O-N 3.14Å; D115-V263 WeakPolarHBondContact O-CA 3.23Å; D115-A264 PolarHBondContact O-N 3.27Å
116E92.9Very high91.7Very high86 Ų8658.2 Ų58.240%0.40232%0.316SS..EExtended strand (participates in β ladder)trans-82.8132.5167.8-67.7-171.581.700111.4Q127 L262 V263E116-Q127 HydrophobicContact CB-CB 4.11Å; E116-Q127 HydrophobicContact CB-CG 4.34Å; E116-Q127 PolarHBondContact O-N 2.9Å; E116-Q127 VanDerWaalsContact O-N 3.16Å; E116-Q127 PolarHBondContact OE1-NE2 3.07Å; E116-Q127 PolarHBondContact OE2-NE2 3.01Å; E116-L262 WeakPolarHBondContact CA-O 3.3Å; E116-V263 HydrophobicContact CG-CG2 4.39Å
117F94.2Very high91.7Very high6 Ų658.9 Ų58.93%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-147.7164.5-179.878.8-79.3000110.9A92 F102 L111 L119 L124 L125 L262 A264A92-F117 HydrophobicContact CB-CE2 3.9Å; A92-F117 HydrophobicContact CB-CZ 3.74Å; F102-F117 HydrophobicContact CZ-CD2 4.48Å; F102-F117 HydrophobicContact CZ-CE1 4.08Å; F102-F117 AromaticContact CZ-CE2 3.98Å; F102-F117 HydrophobicContact CZ-CE2 3.98Å; F102-F117 AromaticContact CZ-CZ 3.77Å; F102-F117 HydrophobicContact CZ-CZ 3.77Å; L111-F117 HydrophobicContact CD1-CB 3.76Å; L111-F117 HydrophobicContact CD1-CD2 4.17Å; L111-F117 HydrophobicContact CD1-CG 4.05Å; L111-F117 HydrophobicContact CD2-CB 4.1Å; L111-F117 HydrophobicContact CG-CB 4.44Å; F117-L119 HydrophobicContact CE2-CB 4.42Å; F117-L124 HydrophobicContact CD2-CD2 3.63Å; F117-L124 HydrophobicContact CE2-CD2 3.47Å; F117-L124 VanDerWaalsContact CE2-CD2 3.47Å; F117-L125 CarbonylContact C-O 3.56Å; F117-L125 VanDerWaalsContact CA-O 3.23Å; F117-L125 WeakPolarHBondContact CA-O 3.48Å; F117-L125 VanDerWaalsContact CB-O 3.31Å; F117-L125 WeakPolarHBondContact CB-O 3.47Å; F117-L262 HydrophobicContact CD1-CB 3.98Å; F117-L262 WeakPolarHBondContact CD1-O 3.45Å; F117-L262 HydrophobicContact CE1-CB 3.45Å; F117-L262 VanDerWaalsContact CE1-CB 3.45Å; F117-L262 HydrophobicContact CE1-CD1 4.45Å; F117-L262 HydrophobicContact CE2-CB 4.15Å; F117-L262 HydrophobicContact CE2-CD1 3.93Å; F117-L262 HydrophobicContact CZ-CB 3.55Å; F117-L262 HydrophobicContact CZ-CD1 3.68Å; F117-L262 HydrophobicContact CZ-CG 4.27Å; F117-L262 PolarHBondContact N-O 3.48Å; F117-L262 PolarHBondContact O-N 3.11Å; F117-L262 VanDerWaalsContact O-O 3.11Å; F117-A264 HydrophobicContact CD1-CB 4.24Å; F117-A264 HydrophobicContact CE1-CB 4.21Å
118S91.5Very high91.5Very high1 Ų159.1 Ų59.11%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-118.3148166.767.30000109.9L125 H130S118-L125 PolarHBondContact N-O 2.79Å; S118-L125 PolarHBondContact O-N 2.8Å; S118-H130 PolarHBondContact OG-CD2 3.45Å
119L91.9Very high91.2Very high13 Ų1357 Ų577%0.06830%0.303CS..EExtended strand (participates in β ladder)trans-108.9123.8165.5-169.479000108.1R93 F117 E123 L124R93-L119 HydrophobicContact CB-CD2 3.79Å; R93-L119 HydrophobicContact CG-CB 4.4Å; R93-L119 HydrophobicContact CG-CD2 3.83Å; F117-L119 HydrophobicContact CE2-CB 4.42Å; L119-E123 WeakPolarHBondContact CA-O 3.27Å; L119-L124 HydrophobicContact CD1-CD2 3.5Å; L119-L124 HydrophobicContact CD1-CG 3.84Å
120R85.7Confident90.8Very high88 Ų8853.6 Ų53.633%0.33229%0.291SS..EExtended strand (participates in β ladder)trans-135124.5175.6-73.3-175.458.1175.3-4.6108.1D122 E123R120-D122 PolarHBondContact O-N 3.39Å; R120-D122 VanDerWaalsContact O-N 3.15Å; R120-E123 PolarHBondContact N-O 3.21Å; R120-E123 WeakPolarHBondContact O-CA 3.35Å; R120-E123 WeakPolarHBondContact O-CB 3.36Å; R120-E123 PolarHBondContact O-N 3.01Å
121D83.1Confident90.3Very high144 Ų14451.6 Ų51.677%0.7729%0.29SS*.THydrogen-bonded Turntrans52.643.9171.4-45-54.7000111.8E123D121-E123 PolarHBondContact O-N 3.47Å
122D82.4Confident89.6Confident100 Ų10056.8 Ų56.854%0.53532%0.317SS..THydrogen-bonded Turntrans59.2-5.4-170-64.7-43.3000117.8N95 R120N95-D122 PolarHBondContact ND2-OD1 3.03Å; R120-D122 PolarHBondContact O-N 3.39Å; R120-D122 VanDerWaalsContact O-N 3.15Å
123E90.3Very high88.9Confident106 Ų10655.5 Ų55.550%0.49531%0.31SS..EExtended strand (participates in β ladder)trans-72.4131.3167.7-69.8-160.6-161.100113.1S105 L119 R120 D121S105-E123 WeakPolarHBondContact CB-OE2 3.46Å; S105-E123 PolarHBondContact OG-OE2 2.78Å; L119-E123 WeakPolarHBondContact CA-O 3.27Å; R120-E123 PolarHBondContact N-O 3.21Å; R120-E123 WeakPolarHBondContact O-CA 3.35Å; R120-E123 WeakPolarHBondContact O-CB 3.36Å; R120-E123 PolarHBondContact O-N 3.01Å; D121-E123 PolarHBondContact O-N 3.47Å
124L93.8Very high88.1Confident6 Ų655 Ų553%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-87.9124.4168.8-68.7165.1000109.3Y97 F102 C104 S105 L111 F117 L119Y97-L124 HydrophobicContact CD1-CD1 4.29Å; Y97-L124 HydrophobicContact CE1-CD1 4.12Å; F102-L124 HydrophobicContact CD2-CD1 3.47Å; F102-L124 VanDerWaalsContact CD2-CD1 3.47Å; F102-L124 HydrophobicContact CD2-CD2 4.2Å; F102-L124 HydrophobicContact CE2-CD1 3.74Å; F102-L124 HydrophobicContact CE2-CD2 3.55Å; F102-L124 HydrophobicContact CE2-CG 4.33Å; F102-L124 HydrophobicContact CG-CD1 4.13Å; F102-L124 HydrophobicContact CZ-CD2 3.97Å; C104-L124 CarbonylContact C-O 3.58Å; C104-L124 VanDerWaalsContact CA-O 3.23Å; C104-L124 WeakPolarHBondContact CA-O 3.36Å; S105-L124 PolarHBondContact N-O 2.78Å; S105-L124 PolarHBondContact OG-O 3.44Å; L111-L124 HydrophobicContact CD1-CB 3.92Å; L111-L124 HydrophobicContact CD1-CD2 4.3Å; F117-L124 HydrophobicContact CD2-CD2 3.63Å; F117-L124 HydrophobicContact CE2-CD2 3.47Å; F117-L124 VanDerWaalsContact CE2-CD2 3.47Å; L119-L124 HydrophobicContact CD1-CD2 3.5Å; L119-L124 HydrophobicContact CD1-CG 3.84Å
125L93.4Very high87.2Confident6 Ų659 Ų593%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-121.8134.3175-68.1163.8000109.9S105 V106 F117 S118 D129 H130 L133S105-L125 WeakPolarHBondContact OG-CD2 3.44Å; V106-L125 HydrophobicContact CG2-CD2 3.65Å; F117-L125 CarbonylContact C-O 3.56Å; F117-L125 VanDerWaalsContact CA-O 3.23Å; F117-L125 WeakPolarHBondContact CA-O 3.48Å; F117-L125 VanDerWaalsContact CB-O 3.31Å; F117-L125 WeakPolarHBondContact CB-O 3.47Å; S118-L125 PolarHBondContact N-O 2.79Å; S118-L125 PolarHBondContact O-N 2.8Å; L125-D129 HydrophobicContact CD2-CB 4.4Å; L125-H130 HydrophobicContact CB-CB 4.24Å; L125-L133 HydrophobicContact CD1-CD2 3.78Å
126C94.1Very high85.9Confident8 Ų867.4 Ų67.45%0.05434%0.34CS..EExtended strand (participates in β ladder)trans-74.5159.117392.60000111.1C104 L111 A128 D129 H130C104-C126 HydrophobicContact CB-CB 4.23Å; C104-C126 PolarHBondContact SG-N 2.86Å; C104-C126 VanDerWaalsContact SG-N 3.36Å; L111-C126 HydrophobicContact CD2-CB 3.58Å; C126-A128 PolarHBondContact O-N 3.07Å; C126-A128 VanDerWaalsContact O-N 3.12Å; C126-D129 PolarHBondContact O-N 2.79Å; C126-D129 PolarHBondContact SG-OD2 3.06Å; C126-H130 WeakPolarHBondContact O-CB 3.38Å; C126-H130 PolarHBondContact O-N 3.1Å
127Q91.3Very high84.5Confident110 Ų11067 Ų6751%0.51435%0.346SS..Hα-helixtrans-47.4-41.8-179.1-173.4177.244.500114.5E116 G131E116-Q127 HydrophobicContact CB-CB 4.11Å; E116-Q127 HydrophobicContact CB-CG 4.34Å; E116-Q127 PolarHBondContact O-N 2.9Å; E116-Q127 VanDerWaalsContact O-N 3.16Å; E116-Q127 PolarHBondContact OE1-NE2 3.07Å; E116-Q127 PolarHBondContact OE2-NE2 3.01Å; Q127-G131 PolarHBondContact O-N 3.05Å
128A89.4Confident83Confident64 Ų6471.2 Ų71.253%0.52938%0.376SS..Hα-helixtrans-68-51.3179.700000112.6C126 H130 G131 L132C126-A128 PolarHBondContact O-N 3.07Å; C126-A128 VanDerWaalsContact O-N 3.12Å; A128-H130 VanDerWaalsContact C-N 3.31Å; A128-H130 PolarHBondContact O-N 3.37Å; A128-G131 PolarHBondContact O-N 2.91Å; A128-L132 WeakPolarHBondContact O-CG 3.46Å; A128-L132 PolarHBondContact O-N 3.15Å; A128-L132 VanDerWaalsContact O-N 3.1Å
129D88.7Confident81.5Confident27 Ų2774.9 Ų74.914%0.14441%0.406CS..Hα-helixtrans-65.3-36179.5-57-56.8000111.6C104 V106 C107 L125 C126 L133C104-D129 PolarHBondContact SG-OD2 3.34Å; V106-D129 HydrophobicContact CB-CB 4.11Å; V106-D129 HydrophobicContact CG1-CB 4.39Å; V106-D129 HydrophobicContact CG2-CB 4.36Å; C107-D129 PolarHBondContact SG-OD2 3.21Å; L125-D129 HydrophobicContact CD2-CB 4.4Å; C126-D129 PolarHBondContact O-N 2.79Å; C126-D129 PolarHBondContact SG-OD2 3.06Å; D129-L133 WeakPolarHBondContact O-CB 3.47Å; D129-L133 PolarHBondContact O-N 2.96Å
130H87.6Confident79.4Confident33 Ų3377.2 Ų77.215%0.15343%0.434CS..Hα-helixtrans-64-43.6173.7-179.9-104.5000111.9S118 L125 C126 A128 L133 V134S118-H130 PolarHBondContact OG-CD2 3.45Å; L125-H130 HydrophobicContact CB-CB 4.24Å; C126-H130 WeakPolarHBondContact O-CB 3.38Å; C126-H130 PolarHBondContact O-N 3.1Å; A128-H130 VanDerWaalsContact C-N 3.31Å; A128-H130 PolarHBondContact O-N 3.37Å; H130-L133 PolarHBondContact O-N 3.36Å; H130-V134 WeakPolarHBondContact O-CG2 3.42Å; H130-V134 PolarHBondContact O-N 3.01Å
131G82.8Confident77.5Confident29 Ų2977.7 Ų77.730%0.29945%0.451SS..Hα-helixtrans-57.5-51.7175.900000112Q127 A128 L133 V134 E135Q127-G131 PolarHBondContact O-N 3.05Å; A128-G131 PolarHBondContact O-N 2.91Å; G131-L133 VanDerWaalsContact C-N 3.31Å; G131-L133 PolarHBondContact O-N 3.32Å; G131-V134 PolarHBondContact O-N 2.91Å; G131-V134 VanDerWaalsContact O-N 3.15Å; G131-E135 PolarHBondContact O-N 3.22Å
132L80.5Confident76.1Confident113 Ų11376.8 Ų76.859%0.59245%0.453SS*.Hα-helixtrans-60.2-38.5177.9-65.7173000112.7A128 R136A128-L132 WeakPolarHBondContact O-CG 3.46Å; A128-L132 PolarHBondContact O-N 3.15Å; A128-L132 VanDerWaalsContact O-N 3.1Å; L132-R136 VanDerWaalsContact O-CB 3.23Å; L132-R136 WeakPolarHBondContact O-CB 3.29Å; L132-R136 PolarHBondContact O-N 3.12Å
133L77.2Confident74.1Confident72 Ų7279.6 Ų79.638%0.37747%0.467SS..Hα-helixtrans-67.3-38.5176.4-174.365.4000112.1L125 D129 H130 G131 S137L125-L133 HydrophobicContact CD1-CD2 3.78Å; D129-L133 WeakPolarHBondContact O-CB 3.47Å; D129-L133 PolarHBondContact O-N 2.96Å; H130-L133 PolarHBondContact O-N 3.36Å; G131-L133 VanDerWaalsContact C-N 3.31Å; G131-L133 PolarHBondContact O-N 3.32Å; L133-S137 WeakPolarHBondContact O-CB 3.16Å; L133-S137 PolarHBondContact O-N 3.08Å; L133-S137 VanDerWaalsContact O-N 3.1Å; L133-S137 PolarHBondContact O-OG 3.03Å
134V76.1Confident71.7Confident54 Ų5480 Ų8033%0.32748%0.481SS..Hα-helixtrans-69.4-49176.3171.30000111.1H130 G131 R136 S137 S138H130-V134 WeakPolarHBondContact O-CG2 3.42Å; H130-V134 PolarHBondContact O-N 3.01Å; G131-V134 PolarHBondContact O-N 2.91Å; G131-V134 VanDerWaalsContact O-N 3.15Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 2.89Å; V134-S137 WeakPolarHBondContact O-CB 3.41Å; V134-S137 PolarHBondContact O-N 3.44Å; V134-S138 PolarHBondContact O-N 3.25Å; V134-S138 PolarHBondContact O-OG 3.25Å
135E71Confident69.8Low137 Ų13786.2 Ų86.264%0.6452%0.522SS*.Hα-helixtrans-57.8-44.4177.2-71.8-171.4136.200111.7G131 S137 S138 A139G131-E135 PolarHBondContact O-N 3.22Å; E135-S137 VanDerWaalsContact C-N 3.26Å; E135-S137 PolarHBondContact O-N 3.26Å; E135-S138 PolarHBondContact O-N 3.02Å; E135-A139 WeakPolarHBondContact O-CB 3.37Å; E135-A139 PolarHBondContact O-N 2.9Å
136R65.5Low67.1Low213 Ų21389.4 Ų89.480%0.80456%0.557SS**Hα-helixtrans-67.1-25177.3-166.1174.7-175.3-168.71113.6L132 V134L132-R136 VanDerWaalsContact O-CB 3.23Å; L132-R136 WeakPolarHBondContact O-CB 3.29Å; L132-R136 PolarHBondContact O-N 3.12Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 2.89Å
137S63.8Low64.3Low77 Ų7796 Ų9654%0.53859%0.591SS.*Hα-helixtrans-76.8-41.9171.7-56.20000111.5L133 V134 E135 A139 G140L133-S137 WeakPolarHBondContact O-CB 3.16Å; L133-S137 PolarHBondContact O-N 3.08Å; L133-S137 VanDerWaalsContact O-N 3.1Å; L133-S137 PolarHBondContact O-OG 3.03Å; V134-S137 WeakPolarHBondContact O-CB 3.41Å; V134-S137 PolarHBondContact O-N 3.44Å; E135-S137 VanDerWaalsContact C-N 3.26Å; E135-S137 PolarHBondContact O-N 3.26Å; S137-A139 VanDerWaalsContact C-N 3.3Å; S137-A139 PolarHBondContact O-N 3.28Å; S137-G140 PolarHBondContact O-N 3.21Å
138S62.5Low62.2Low95 Ų9598.1 Ų98.166%0.66460%0.604SS**Hα-helixtrans-67.9-27.6177.2-62.30000113.2V134 E135 G140V134-S138 PolarHBondContact O-N 3.25Å; V134-S138 PolarHBondContact O-OG 3.25Å; E135-S138 PolarHBondContact O-N 3.02Å; S138-G140 PolarHBondContact O-N 2.9Å
139A59.9Low59.9Low77 Ų77103.2 Ų103.264%0.63662%0.617SS**THydrogen-bonded Turntrans-74.75174.100000114.3E135 S137 S141E135-A139 WeakPolarHBondContact O-CB 3.37Å; E135-A139 PolarHBondContact O-N 2.9Å; S137-A139 VanDerWaalsContact C-N 3.3Å; S137-A139 PolarHBondContact O-N 3.28Å; A139-S141 PolarHBondContact O-N 2.99Å
140G48.5Very low57.3Low63 Ų63107.1 Ų107.165%0.64964%0.642SS**  trans-69.620.1-174.700000117.4S137 S138S137-G140 PolarHBondContact O-N 3.21Å; S138-G140 PolarHBondContact O-N 2.9Å
141S45.8Very low55Low97 Ų97117 Ų11768%0.67868%0.678SS**  trans-101.5111.8177.7-72.20000110.9A139 L143A139-S141 PolarHBondContact O-N 2.99Å; S141-L143 PolarHBondContact O-N 2.9Å
142P54.2Low53.2Low126 Ų126121.1 Ų121.182%0.81870%0.699SS**  trans-79.7102.5-174.830.8-34.2000112.1
143L40Very low51.3Low159 Ų159122.9 Ų122.983%0.83271%0.709SS**  trans-129.6101.6166.5-72177.1000111S141S141-L143 PolarHBondContact O-N 2.9Å
144S40.3Very low49.4Very low113 Ų113128.4 Ų128.479%0.7973%0.732SS**  trans36.3137.8155.5-57.90000122
145P54Low47.6Very low138 Ų138132.5 Ų132.590%0.89675%0.751SS**  trans-71.1135.417231.5-34.4000111.7
146G35.1Very low45.8Very low73 Ų73130.2 Ų130.275%0.75376%0.755SS**  trans-155.4123.118000000114.2
147N37.1Very low44.2Very low145 Ų145126.7 Ų126.778%0.77575%0.752SS**  trans43.2105.1167.8-75.95.8000120.3H149N147-H149 PolarHBondContact O-N 2.89Å
148I45.5Very low42.7Very low155 Ų155127.5 Ų127.580%0.79576%0.758SS**  trans-51128136.8-57.7160.4000108.7
149H42.4Very low41.3Very low172 Ų172129.7 Ų129.780%0.79676%0.761SS**  trans-143.7155.5157.9-110.754.3000110.6N147N147-H149 PolarHBondContact O-N 2.89Å
150T34Very low39.9Very low109 Ų109132 Ų13267%0.66977%0.772SS**  trans-121.5134.9-152.253.10000115.1
151R37.9Very low39.2Very low239 Ų239134.7 Ų134.790%0.90278%0.775SS**  trans67.3172.2151.2-74.2-179175.6-126-0.2115.9
152P45.6Very low38.5Very low116 Ų116141.5 Ų141.575%0.75379%0.787SS**  cis-120.3172.1-2.120.53.1000115.9
153L40.3Very low37.4Very low150 Ų150144.1 Ų144.179%0.78579%0.787SS**  trans-72.9156.3163.6-67154.2000110.9
154H37.6Very low38Very low189 Ų189141.9 Ų141.988%0.87578%0.782SS**  trans-140.6146.3157.5-120.7-95.1000110.3
155I39.2Very low38.2Very low140 Ų140141.1 Ų141.172%0.71878%0.775SS**  trans-142.8143.7-167.1-83160000110.2
156A33Very low37.3Very low88 Ų88142.3 Ų142.373%0.72777%0.768SS**  trans65.9156.8171.100000115.9
157D31.6Very low37.5Very low140 Ų140147.1 Ų147.175%0.74977%0.77SS**  cis-156.3-176.8-4.5-142.828.9000109.2
158S32.8Very low37.5Very low93 Ų93150.4 Ų150.465%0.6577%0.772SS**  cis-153.5156.76.867.50000115.5
159I32.9Very low36.9Very low142 Ų142150.7 Ų150.773%0.72878%0.775SS**  trans19.1123.1138.6-52.9168.2000120.2
160S30.4Very low36.7Very low124 Ų124151.4 Ų151.487%0.86778%0.779SS**  -160.2159.9125.1-158.80000113.4
161V34.5Very low36.8Very low120 Ų120152.3 Ų152.373%0.72778%0.784SS**  trans-117.7136.6-164.6172.60000112.4
162R29.7Very low36.8Very low241 Ų241149.7 Ų149.791%0.90978%0.781SS**  trans-176.5137.2134.7-100.3160.6-156.1-141.34.5114.9
163H31.7Very low36.2Very low180 Ų180153.1 Ų153.183%0.83378%0.784SS**  trans-130.5173.5160.3-82.6-83.1000107.2
164P53.2Low35.9Very low112 Ų112155 Ų15573%0.72779%0.789SS**  -115.9-149.3-56.633.7-14.1000108.1
165P43.8Very low35.7Very low98 Ų98150.7 Ų150.764%0.63678%0.78SS**  -152.8170.768.942.2-22000117.4
166H36.2Very low35.7Very low163 Ų163152.7 Ų152.776%0.75579%0.786SS**  trans55.8128.3159.9-60.4-48.6000119.2
167H38.9Very low35.9Very low173 Ų173157.8 Ų157.880%0.80179%0.792SS**  -146.2118.274.2-116.3-108000115.9
168R37Very low36.3Very low214 Ų214156.7 Ų156.781%0.80879%0.791SS**  trans40.3102.8152.4-64.2-173173.8-179.5-2120.1
169N31.6Very low36.6Very low162 Ų162158.6 Ų158.687%0.86680%0.799SS**  trans-53.5135.3146.3-68.1-28.5000110.7
170H39.5Very low37.4Very low187 Ų187162.7 Ų162.787%0.86681%0.805SS**  trans-92.1110.2165.4-130.1-70.8000109.5H172H170-H172 PolarHBondContact O-N 3.05Å
171V35.7Very low38Very low127 Ų127163.5 Ų163.577%0.7781%0.805SS**  trans-65.8122179.9174.80000109.9K173V171-K173 VanDerWaalsContact C-N 3.32Å; V171-K173 PolarHBondContact O-N 3.47Å
172H39Very low39.2Very low184 Ų184168.1 Ų168.185%0.85281%0.809SS**  trans-70.788.1168.1-100.7-56.5000109.9H170 Q174H170-H172 PolarHBondContact O-N 3.05Å; H172-Q174 PolarHBondContact O-N 2.72Å; H172-Q174 VanDerWaalsContact O-N 3.13Å
173K31.5Very low40.9Very low188 Ų188161.9 Ų161.982%0.81780%0.798SS**  trans-60.6114.9164.1-174.1171.9-1771760107.9V171 S175V171-K173 VanDerWaalsContact C-N 3.32Å; V171-K173 PolarHBondContact O-N 3.47Å; K173-S175 PolarHBondContact O-N 3.14Å
174Q33.7Very low42.6Very low190 Ų190159.7 Ų159.789%0.88880%0.797SS**  trans-6797.7172.3-73.1-176.1-8.600108.6H172H172-Q174 PolarHBondContact O-N 2.72Å; H172-Q174 VanDerWaalsContact O-N 3.13Å
175S34Very low44Very low99 Ų99156 Ų15669%0.69277%0.771SS**  trans-80.8128.9157.8171.30000107.4K173 K177K173-S175 PolarHBondContact O-N 3.14Å; S175-K177 PolarHBondContact O-N 3.42Å
176E40Very low46Very low181 Ų181156.3 Ų156.385%0.84677%0.767SS**  trans-58.5107.8179.8-66.7164.4106.400110.2T178E176-T178 VanDerWaalsContact C-N 3.29Å; E176-T178 PolarHBondContact O-N 3.06Å
177K36.5Very low48.5Very low196 Ų196155.7 Ų155.785%0.85277%0.765SS**  trans-76.286.7176.6-70.9179.3-176.7171.10108.7S175 T179S175-K177 PolarHBondContact O-N 3.42Å; K177-T179 PolarHBondContact O-N 2.95Å
178T39.6Very low50.7Low116 Ų116155.2 Ų155.271%0.71276%0.76SS**  trans-45.6113.8163420000108.9E176 R180E176-T178 VanDerWaalsContact C-N 3.29Å; E176-T178 PolarHBondContact O-N 3.06Å; T178-R180 PolarHBondContact O-N 3.36Å
179T39.8Very low53.3Low134 Ų134147.1 Ų147.182%0.82273%0.731SS**  trans-72.278.8-17635.10000109K177 V181K177-T179 PolarHBondContact O-N 2.95Å; T179-V181 PolarHBondContact O-N 3.1Å
180R49.5Very low56.2Low227 Ų227141.6 Ų141.686%0.85770%0.701SS**  trans-49.9109.4-176-69.6-170.1179.8-159.2-1110.2T178 R182T178-R180 PolarHBondContact O-N 3.36Å; R180-R182 PolarHBondContact O-N 3.03Å; R180-R182 VanDerWaalsContact O-N 3.11Å
181V43Very low58.7Low142 Ų142138.1 Ų138.186%0.86169%0.686SS**  trans-52.2119.6177.9178.70000108T179 T183T179-V181 PolarHBondContact O-N 3.1Å; V181-T183 PolarHBondContact O-N 3.31Å
182R60.1Low61.4Low217 Ų217133.4 Ų133.482%0.81966%0.657SS**  trans-74.3118.2-178.4-176.1177.9-172.71502.8108.1R180 V184R180-R182 PolarHBondContact O-N 3.03Å; R180-R182 VanDerWaalsContact O-N 3.11Å; R182-V184 PolarHBondContact O-N 3.5Å
183T65.4Low64Low110 Ų110124.7 Ų124.768%0.67562%0.617SS**  trans-57113170.536.30000109.8V181V181-T183 PolarHBondContact O-N 3.31Å
184V66.9Low67Low134 Ų134121.6 Ų121.681%0.81260%0.6SS**PPolyproline II helixtrans-75.9132.3170.3-178.20000107.1R182R182-V184 PolarHBondContact O-N 3.5Å
185L82.1Confident69.8Low35 Ų35116.1 Ų116.118%0.18358%0.58CS.*PPolyproline II helixtrans-83.7130.6174.1-12469.6000108.8Q189 L190 L193 L217 V221L185-Q189 HydrophobicContact CD2-CB 4.34Å; L185-Q189 HydrophobicContact CG-CB 4.1Å; L185-L190 HydrophobicContact CD2-CB 4.45Å; L185-L190 HydrophobicContact CD2-CD1 4.3Å; L185-L193 HydrophobicContact CD2-CD1 3.55Å; L185-L217 HydrophobicContact CD1-CD1 3.79Å; L185-L217 HydrophobicContact CD1-CD2 3.71Å; L185-L217 HydrophobicContact CD1-CG 4.43Å; L185-L217 HydrophobicContact CD2-CD1 3.91Å; L185-L217 HydrophobicContact CG-CD1 3.95Å; L185-L217 HydrophobicContact CG-CD2 4.4Å; L185-V221 HydrophobicContact CD1-CG1 4.05Å
186N87.1Confident72.6Confident104 Ų104112.3 Ų112.356%0.55655%0.552SS**PPolyproline II helixtrans-62.6145.8172.3-174.4-33.6000109.3K188 Q189 L190N186-K188 VanDerWaalsContact C-N 3.26Å; N186-K188 PolarHBondContact O-N 3.22Å; N186-K188 PolarHBondContact OD1-N 3.07Å; N186-Q189 HydrophobicContact CB-CG 4.17Å; N186-Q189 WeakPolarHBondContact O-CB 3.32Å; N186-Q189 PolarHBondContact O-N 3.06Å; N186-L190 PolarHBondContact O-N 3.42Å
187E87.1Confident75.2Confident150 Ų150104.5 Ų104.570%0.70152%0.516SS*.Hα-helixtrans-55.2-39.5-179.2-178.6157.3-155.500112.7Q189 L190 H191E187-Q189 PolarHBondContact O-N 2.91Å; E187-L190 CarbonylContact O-C 3.57Å; E187-L190 PolarHBondContact O-N 3.26Å; E187-H191 WeakPolarHBondContact O-CB 3.42Å; E187-H191 PolarHBondContact O-N 3.1Å
188K86.4Confident77.9Confident163 Ų163101.4 Ų101.471%0.70951%0.508SS*.Hα-helixtrans-57.6-46173.9-177.6175.8177.9179.60112.1N186 L190 H191 T192N186-K188 VanDerWaalsContact C-N 3.26Å; N186-K188 PolarHBondContact O-N 3.22Å; N186-K188 PolarHBondContact OD1-N 3.07Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-H191 PolarHBondContact O-N 3.43Å; K188-T192 PolarHBondContact O-N 3.36Å; K188-T192 VanDerWaalsContact O-N 3.15Å; K188-T192 PolarHBondContact O-OG1 2.99Å
189Q90.1Very high80.3Confident43 Ų43100.2 Ų100.220%0.20151%0.51CS..Hα-helixtrans-65-41.1177.6-60.5169.6-3900111.2L185 N186 E187 L193 T215 L217L185-Q189 HydrophobicContact CD2-CB 4.34Å; L185-Q189 HydrophobicContact CG-CB 4.1Å; N186-Q189 HydrophobicContact CB-CG 4.17Å; N186-Q189 WeakPolarHBondContact O-CB 3.32Å; N186-Q189 PolarHBondContact O-N 3.06Å; E187-Q189 PolarHBondContact O-N 2.91Å; Q189-L193 WeakPolarHBondContact O-CG 3.47Å; Q189-L193 PolarHBondContact O-N 2.95Å; Q189-L193 VanDerWaalsContact O-N 3.17Å; Q189-T215 HydrophobicContact CB-CG2 4.49Å; Q189-T215 PolarHBondContact NE2-O 3.26Å; Q189-L217 HydrophobicContact CB-CD1 4.12Å
190L92.8Very high82.7Confident46 Ų4697 Ų9724%0.24149%0.488CS..Hα-helixtrans-70.1-32.9180-172.358000112.2L185 N186 E187 K188 R194 W225L185-L190 HydrophobicContact CD2-CB 4.45Å; L185-L190 HydrophobicContact CD2-CD1 4.3Å; N186-L190 PolarHBondContact O-N 3.42Å; E187-L190 CarbonylContact O-C 3.57Å; E187-L190 PolarHBondContact O-N 3.26Å; K188-L190 VanDerWaalsContact C-N 3.35Å; L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 WeakPolarHBondContact O-CD 3.23Å; L190-R194 WeakPolarHBondContact O-CG 3.31Å; L190-R194 PolarHBondContact O-N 2.84Å; L190-W225 HydrophobicContact CD1-CZ2 4.05Å
191H92.1Very high84.6Confident115 Ų11588.9 Ų88.953%0.53246%0.464SS..Hα-helixtrans-62.5-56.2171.1-178.3102.1000110.6E187 K188 L193 R194 T195E187-H191 WeakPolarHBondContact O-CB 3.42Å; E187-H191 PolarHBondContact O-N 3.1Å; K188-H191 PolarHBondContact O-N 3.43Å; H191-L193 VanDerWaalsContact C-N 3.27Å; H191-L193 PolarHBondContact O-N 2.82Å; H191-R194 WeakPolarHBondContact O-CB 3.39Å; H191-R194 PolarHBondContact O-N 3.24Å; H191-T195 PolarHBondContact NE2-OG1 3.01Å; H191-T195 PolarHBondContact O-N 3.19Å; H191-T195 PolarHBondContact O-OG1 3.06Å
192T92.1Very high86.9Confident28 Ų2891 Ų9117%0.17246%0.457CS..Hα-helixtrans-53.8-43.4-179.5-53.90000112.1K188 T195 C196 L211 M214 T215K188-T192 PolarHBondContact O-N 3.36Å; K188-T192 VanDerWaalsContact O-N 3.15Å; K188-T192 PolarHBondContact O-OG1 2.99Å; T192-T195 PolarHBondContact O-N 2.9Å; T192-C196 WeakPolarHBondContact O-CB 3.22Å; T192-C196 PolarHBondContact O-N 2.9Å; T192-L211 HydrophobicContact CG2-CD2 3.77Å; T192-M214 HydrophobicContact CG2-CE 4.39Å; T192-T215 HydrophobicContact CG2-CG2 4.1Å
193L94.9Very high88.3Confident0 Ų081 Ų810%042%0.421CS..Hα-helixtrans-67.8-37.5177.1-67.3170.3000113.2L185 Q189 H191 Y197 L211 L217 I222 W225 F226L185-L193 HydrophobicContact CD2-CD1 3.55Å; Q189-L193 WeakPolarHBondContact O-CG 3.47Å; Q189-L193 PolarHBondContact O-N 2.95Å; Q189-L193 VanDerWaalsContact O-N 3.17Å; H191-L193 VanDerWaalsContact C-N 3.27Å; H191-L193 PolarHBondContact O-N 2.82Å; L193-Y197 VanDerWaalsContact O-CB 3.23Å; L193-Y197 WeakPolarHBondContact O-CB 3.27Å; L193-Y197 PolarHBondContact O-N 3.16Å; L193-L211 HydrophobicContact CD2-CD1 4.18Å; L193-L211 HydrophobicContact CD2-CD2 4.31Å; L193-L217 HydrophobicContact CD1-CD1 3.92Å; L193-I222 HydrophobicContact CD2-CG2 4.02Å; L193-W225 VanDerWaalsContact C-CH2 3.46Å; L193-W225 HydrophobicContact CB-CD2 4.02Å; L193-W225 HydrophobicContact CB-CE3 4.07Å; L193-W225 HydrophobicContact CB-CH2 3.79Å; L193-W225 HydrophobicContact CB-CZ2 3.67Å; L193-W225 HydrophobicContact CB-CZ3 3.97Å; L193-W225 HydrophobicContact CD1-CD2 3.99Å; L193-W225 HydrophobicContact CD1-CG 3.92Å; L193-W225 HydrophobicContact CG-CD2 4.48Å; L193-W225 VanDerWaalsContact O-CH2 3.26Å; L193-W225 WeakPolarHBondContact O-CH2 3.39Å; L193-W225 WeakPolarHBondContact O-CZ3 3.37Å; L193-F226 HydrophobicContact CD2-CE2 3.78Å
194R93.4Very high89.6Confident123 Ų12380.3 Ų80.346%0.46441%0.412SS..Hα-helixtrans-63.4-46.5173.3-74.9166.6-176.5177.55.5111.2L190 H191 Y197 N198 W225L190-R194 WeakPolarHBondContact O-CB 3.47Å; L190-R194 WeakPolarHBondContact O-CD 3.23Å; L190-R194 WeakPolarHBondContact O-CG 3.31Å; L190-R194 PolarHBondContact O-N 2.84Å; H191-R194 WeakPolarHBondContact O-CB 3.39Å; H191-R194 PolarHBondContact O-N 3.24Å; R194-Y197 PolarHBondContact O-N 3.49Å; R194-N198 VanDerWaalsContact O-CG 3.3Å; R194-N198 PolarHBondContact O-N 3.1Å; R194-N198 PolarHBondContact O-OD1 2.84Å; R194-W225 HydrophobicContact CG-CZ2 4.35Å
195T92.6Very high90.7Very high76 Ų7677 Ų7747%0.46640%0.399SS..Hα-helixtrans-63.6-47.5-178.4-58.60000111.1H191 T192 Y197 N198 A199H191-T195 PolarHBondContact NE2-OG1 3.01Å; H191-T195 PolarHBondContact O-N 3.19Å; H191-T195 PolarHBondContact O-OG1 3.06Å; T192-T195 PolarHBondContact O-N 2.9Å; T195-Y197 PolarHBondContact O-N 3.22Å; T195-N198 PolarHBondContact O-N 3.01Å; T195-A199 PolarHBondContact O-N 3.42Å
196C92.6Very high91.2Very high18 Ų1881.4 Ų81.412%0.12242%0.422CS..Hα-helixtrans-60.9-42.6173.5-177.90000112.3T192 N198 A199 N200 L211 F226T192-C196 WeakPolarHBondContact O-CB 3.22Å; T192-C196 PolarHBondContact O-N 2.9Å; C196-N198 VanDerWaalsContact C-N 3.33Å; C196-N198 PolarHBondContact O-N 3.12Å; C196-A199 PolarHBondContact O-N 2.89Å; C196-N200 PolarHBondContact O-N 3.31Å; C196-L211 HydrophobicContact CB-CD1 4.24Å; C196-L211 HydrophobicContact CB-CD2 4.11Å; C196-F226 HydrophobicContact CB-CZ 4.34Å
197Y95.5Very high91.3Very high18 Ų1879.8 Ų79.87%0.07141%0.412CS..Hα-helixtrans-62.2-37.7178.8-176-91.5000113.8L193 R194 T195 A199 N200 P201 W225 F226 K229 R230 D233L193-Y197 VanDerWaalsContact O-CB 3.23Å; L193-Y197 WeakPolarHBondContact O-CB 3.27Å; L193-Y197 PolarHBondContact O-N 3.16Å; R194-Y197 PolarHBondContact O-N 3.49Å; T195-Y197 PolarHBondContact O-N 3.22Å; Y197-A199 VanDerWaalsContact C-N 3.32Å; Y197-N200 CarbonylContact O-C 3.31Å; Y197-N200 VanDerWaalsContact O-C 3.31Å; Y197-P201 HydrophobicContact CD2-CB 4.32Å; Y197-P201 HydrophobicContact CE1-CB 4.46Å; Y197-P201 HydrophobicContact CE2-CB 3.75Å; Y197-P201 WeakPolarHBondContact O-CD 3.45Å; Y197-W225 HydrophobicContact CD2-CZ3 4.09Å; Y197-W225 HydrophobicContact CG-CH2 4.37Å; Y197-W225 HydrophobicContact CG-CZ3 4.2Å; Y197-F226 AromaticContact CD2-CD1 3.72Å; Y197-F226 HydrophobicContact CD2-CD1 3.72Å; Y197-F226 AromaticContact CD2-CE1 3.72Å; Y197-F226 HydrophobicContact CD2-CE1 3.72Å; Y197-F226 HydrophobicContact CE2-CD1 4.4Å; Y197-F226 HydrophobicContact CG-CE1 4.39Å; Y197-K229 HydrophobicContact CD1-CD 4.43Å; Y197-K229 HydrophobicContact CD1-CG 3.85Å; Y197-K229 HydrophobicContact CD2-CB 4.26Å; Y197-K229 HydrophobicContact CD2-CG 3.62Å; Y197-K229 HydrophobicContact CE1-CD 4.33Å; Y197-K229 HydrophobicContact CE1-CG 3.68Å; Y197-K229 VanDerWaalsContact CE1-NZ 3.25Å; Y197-K229 HydrophobicContact CE2-CB 4.02Å; Y197-K229 HydrophobicContact CE2-CG 3.44Å; Y197-K229 VanDerWaalsContact CE2-CG 3.44Å; Y197-K229 HydrophobicContact CG-CG 3.82Å; Y197-K229 VanDerWaalsContact CZ-CG 3.45Å; Y197-R230 HydrophobicContact CE2-CG 3.84Å; Y197-D233 WeakPolarHBondContact CE1-OD2 3.26Å; Y197-D233 PolarHBondContact OH-OD2 3.24Å
198N92.4Very high91.5Very high130 Ų13075.4 Ų75.470%0.69539%0.391SS*.Hα-helixtrans-68.2-32.9178.3-71.5-2.5000111.8R194 T195 C196R194-N198 VanDerWaalsContact O-CG 3.3Å; R194-N198 PolarHBondContact O-N 3.1Å; R194-N198 PolarHBondContact O-OD1 2.84Å; T195-N198 PolarHBondContact O-N 3.01Å; C196-N198 VanDerWaalsContact C-N 3.33Å; C196-N198 PolarHBondContact O-N 3.12Å
199A91Very high91.8Very high91 Ų9173.5 Ų73.575%0.75238%0.384SS*.Hα-helixtrans-76.9-43.1173.200000112.5T195 C196 Y197T195-A199 PolarHBondContact O-N 3.42Å; C196-A199 PolarHBondContact O-N 2.89Å; Y197-A199 VanDerWaalsContact C-N 3.32Å
200N89.7Confident91.9Very high68 Ų6876 Ų7636%0.36440%0.396SS..  trans-146.2108.1177.1-175-4.6000112.1C196 Y197 R202 P203C196-N200 PolarHBondContact O-N 3.31Å; Y197-N200 CarbonylContact O-C 3.31Å; Y197-N200 VanDerWaalsContact O-C 3.31Å; N200-R202 PolarHBondContact ND2-O 2.97Å; N200-R202 VanDerWaalsContact ND2-O 3.17Å; N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 VanDerWaalsContact O-N 3.15Å; N200-R202 WeakPolarHBondContact OD1-CA 3.39Å; N200-R202 PolarHBondContact OD1-N 3.01Å; N200-R202 PolarHBondContact OD1-O 3.01Å; N200-R202 VanDerWaalsContact OD1-O 3.12Å; N200-P203 WeakPolarHBondContact O-CD 3.46Å
201P89.3Confident91.9Very high55 Ų5574 Ų7436%0.35739%0.386SS..SBendtrans-65.5-11.8174.8-26.336.4000115.6Y197 R230Y197-P201 HydrophobicContact CD2-CB 4.32Å; Y197-P201 HydrophobicContact CE1-CB 4.46Å; Y197-P201 HydrophobicContact CE2-CB 3.75Å; Y197-P201 WeakPolarHBondContact O-CD 3.45Å; P201-R230 WeakPolarHBondContact O-CD 3.19Å
202R92.1Very high92Very high186 Ų18670.4 Ų70.470%0.70237%0.372SS*.SBendtrans-134.572.4177.9-66.3-174.6-17989.1-11.6110.4N200N200-R202 PolarHBondContact ND2-O 2.97Å; N200-R202 VanDerWaalsContact ND2-O 3.17Å; N200-R202 PolarHBondContact O-N 3.09Å; N200-R202 VanDerWaalsContact O-N 3.15Å; N200-R202 WeakPolarHBondContact OD1-CA 3.39Å; N200-R202 PolarHBondContact OD1-N 3.01Å; N200-R202 PolarHBondContact OD1-O 3.01Å; N200-R202 VanDerWaalsContact OD1-O 3.12Å
203P89.6Confident92Very high9 Ų976.8 Ų76.86%0.05840%0.4CS..  trans-59.3151.9174.726.6-35.2000111.4N200 M207 K208 F226N200-P203 WeakPolarHBondContact O-CD 3.46Å; P203-M207 HydrophobicContact CB-CB 3.91Å; P203-M207 HydrophobicContact CB-CG 3.63Å; P203-K208 HydrophobicContact CB-CG 4.4Å; P203-K208 HydrophobicContact CG-CG 4.13Å; P203-K208 WeakPolarHBondContact O-CE 3.45Å; P203-K208 PolarHBondContact O-NZ 3.31Å; P203-F226 VanDerWaalsContact CD-CE1 3.42Å; P203-F226 HydrophobicContact CG-CD1 3.84Å; P203-F226 HydrophobicContact CG-CD2 4.43Å; P203-F226 HydrophobicContact CG-CE1 3.59Å; P203-F226 HydrophobicContact CG-CE2 4.22Å; P203-F226 HydrophobicContact CG-CG 4.27Å; P203-F226 HydrophobicContact CG-CZ 3.8Å
204D91.5Very high91.8Very high94 Ų9482 Ų8250%0.50343%0.426SS..  trans-77.9-165.5176.260.133.3000112.2L206 M207 K208D204-L206 PolarHBondContact OD1-N 3.38Å; D204-M207 WeakPolarHBondContact OD1-CB 3.44Å; D204-M207 PolarHBondContact OD1-N 3.47Å; D204-K208 VanDerWaalsContact C-NZ 3.33Å; D204-K208 WeakPolarHBondContact O-CG 3.45Å; D204-K208 PolarHBondContact O-NZ 3.01Å
205A90.6Very high91.7Very high65 Ų6576.8 Ų76.854%0.53741%0.407SS..Hα-helixtrans-67.2-56177.800000112.1M207 K208 E209A205-M207 PolarHBondContact O-N 3.24Å; A205-K208 WeakPolarHBondContact O-CA 3.16Å; A205-K208 WeakPolarHBondContact O-CB 3.43Å; A205-K208 PolarHBondContact O-N 2.79Å; A205-E209 PolarHBondContact O-N 3.26Å; A205-E209 VanDerWaalsContact O-N 3.1Å
206L92.1Very high91.6Very high127 Ų12776.5 Ų76.567%0.66542%0.419SS*.Hα-helixtrans-57.9-45.4-175.4-174.866.4000112.4D204 K208 E209 Q210D204-L206 PolarHBondContact OD1-N 3.38Å; L206-K208 PolarHBondContact O-N 3.27Å; L206-E209 PolarHBondContact O-N 3.41Å; L206-Q210 PolarHBondContact O-N 3.43Å
207M90.4Very high91.6Very high71 Ų7176.5 Ų76.535%0.3542%0.418SS..Hα-helixtrans-63.8-27.9176.4-174.462.456.400112.3P203 D204 A205 L211P203-M207 HydrophobicContact CB-CB 3.91Å; P203-M207 HydrophobicContact CB-CG 3.63Å; D204-M207 WeakPolarHBondContact OD1-CB 3.44Å; D204-M207 PolarHBondContact OD1-N 3.47Å; A205-M207 PolarHBondContact O-N 3.24Å; M207-L211 WeakPolarHBondContact O-CB 3.17Å; M207-L211 WeakPolarHBondContact O-CD1 3.29Å; M207-L211 WeakPolarHBondContact O-CG 3.27Å; M207-L211 PolarHBondContact O-N 3.08Å
208K91.3Very high91.5Very high58 Ų5878.6 Ų78.625%0.25244%0.435SS..Hα-helixtrans-75.5-33.9171.6-72.2-176.9-151.975.50112.2P203 D204 A205 L206 L211 V212 R223P203-K208 HydrophobicContact CB-CG 4.4Å; P203-K208 HydrophobicContact CG-CG 4.13Å; P203-K208 WeakPolarHBondContact O-CE 3.45Å; P203-K208 PolarHBondContact O-NZ 3.31Å; D204-K208 VanDerWaalsContact C-NZ 3.33Å; D204-K208 WeakPolarHBondContact O-CG 3.45Å; D204-K208 PolarHBondContact O-NZ 3.01Å; A205-K208 WeakPolarHBondContact O-CA 3.16Å; A205-K208 WeakPolarHBondContact O-CB 3.43Å; A205-K208 PolarHBondContact O-N 2.79Å; L206-K208 PolarHBondContact O-N 3.27Å; K208-L211 PolarHBondContact O-N 3.34Å; K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 3.27Å; K208-R223 HydrophobicContact CD-CG 4.09Å
209E92.6Very high91.5Very high122 Ų12276 Ų7657%0.5743%0.425SS*.Hα-helixtrans-70.2-44.9178-73162-174.100110.8A205 L206 L211 V212 E213A205-E209 PolarHBondContact O-N 3.26Å; A205-E209 VanDerWaalsContact O-N 3.1Å; L206-E209 PolarHBondContact O-N 3.41Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 2.89Å; E209-V212 WeakPolarHBondContact O-CA 3.47Å; E209-V212 WeakPolarHBondContact O-CB 3.43Å; E209-V212 PolarHBondContact O-N 3.1Å; E209-E213 PolarHBondContact O-N 2.95Å; E209-E213 VanDerWaalsContact O-N 3.1Å
210Q91.1Very high91.5Very high95 Ų9580.3 Ų80.344%0.44442%0.422SS..Hα-helixtrans-57.9-37.9170.5-168.3178.818.900112L206 E213 M214L206-Q210 PolarHBondContact O-N 3.43Å; Q210-E213 PolarHBondContact O-N 3.41Å; Q210-M214 HydrophobicContact CG-CG 4.34Å; Q210-M214 HydrophobicContact CG-SD 4.05Å; Q210-M214 WeakPolarHBondContact O-CB 3.37Å; Q210-M214 VanDerWaalsContact O-CG 3.26Å; Q210-M214 WeakPolarHBondContact O-CG 3.4Å; Q210-M214 PolarHBondContact O-N 3.45Å
211L92.8Very high91.5Very high5 Ų579.1 Ų79.13%0.02642%0.417CS..Hα-helixtrans-68.8-29.9173.2-75172.2000113.7T192 L193 C196 M207 K208 E209 T215 I222 F226T192-L211 HydrophobicContact CG2-CD2 3.77Å; L193-L211 HydrophobicContact CD2-CD1 4.18Å; L193-L211 HydrophobicContact CD2-CD2 4.31Å; C196-L211 HydrophobicContact CB-CD1 4.24Å; C196-L211 HydrophobicContact CB-CD2 4.11Å; M207-L211 WeakPolarHBondContact O-CB 3.17Å; M207-L211 WeakPolarHBondContact O-CD1 3.29Å; M207-L211 WeakPolarHBondContact O-CG 3.27Å; M207-L211 PolarHBondContact O-N 3.08Å; K208-L211 PolarHBondContact O-N 3.34Å; E209-L211 VanDerWaalsContact C-N 3.26Å; E209-L211 PolarHBondContact O-N 2.89Å; L211-T215 WeakPolarHBondContact O-CB 3.26Å; L211-T215 WeakPolarHBondContact O-CG2 3.34Å; L211-T215 PolarHBondContact O-N 3.35Å; L211-T215 PolarHBondContact O-OG1 2.99Å; L211-I222 VanDerWaalsContact C-CD1 3.42Å; L211-I222 HydrophobicContact CB-CD1 3.84Å; L211-I222 HydrophobicContact CB-CG2 4.39Å; L211-I222 HydrophobicContact CD1-CG2 4.27Å; L211-I222 WeakPolarHBondContact O-CD1 3.35Å; L211-F226 HydrophobicContact CD1-CE2 3.77Å; L211-F226 HydrophobicContact CD1-CZ 4.02Å
212V94.6Very high91.7Very high39 Ų3976.5 Ų76.524%0.23640%0.4CS..Hα-helixtrans-63.1-49.9172.8168.40000109.3K208 E209 T215 G216 P219 I222K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 3.27Å; E209-V212 WeakPolarHBondContact O-CA 3.47Å; E209-V212 WeakPolarHBondContact O-CB 3.43Å; E209-V212 PolarHBondContact O-N 3.1Å; V212-T215 PolarHBondContact O-N 3.29Å; V212-G216 WeakPolarHBondContact O-CA 3.23Å; V212-G216 PolarHBondContact O-N 2.79Å; V212-P219 HydrophobicContact CG2-CB 4.17Å; V212-P219 HydrophobicContact CG2-CG 3.83Å; V212-I222 HydrophobicContact CB-CD1 4.35Å; V212-I222 HydrophobicContact CG2-CD1 3.79Å
213E92.7Very high91.7Very high162 Ų16274.1 Ų74.176%0.75739%0.391SS*.Hα-helixtrans-59.9-56.1177.2-176.5178.4-149.400111.8E209 Q210 T215 G216E209-E213 PolarHBondContact O-N 2.95Å; E209-E213 VanDerWaalsContact O-N 3.1Å; Q210-E213 PolarHBondContact O-N 3.41Å; E213-T215 PolarHBondContact O-N 3.44Å; E213-T215 VanDerWaalsContact O-N 3.09Å; E213-G216 PolarHBondContact O-N 3.4Å
214M89.2Confident91.9Very high111 Ų11176.3 Ų76.355%0.54740%0.404SS..Hα-helixtrans-64-17.4-177.1-70.7-176.878.600115T192 Q210T192-M214 HydrophobicContact CG2-CE 4.39Å; Q210-M214 HydrophobicContact CG-CG 4.34Å; Q210-M214 HydrophobicContact CG-SD 4.05Å; Q210-M214 WeakPolarHBondContact O-CB 3.37Å; Q210-M214 VanDerWaalsContact O-CG 3.26Å; Q210-M214 WeakPolarHBondContact O-CG 3.4Å; Q210-M214 PolarHBondContact O-N 3.45Å
215T91.3Very high92.1Very high12 Ų1273.7 Ų73.77%0.07439%0.388CS..Hα-helixtrans-118.4-13.3-177.467.60000114.5Q189 T192 L211 V212 E213 L217Q189-T215 HydrophobicContact CB-CG2 4.49Å; Q189-T215 PolarHBondContact NE2-O 3.26Å; T192-T215 HydrophobicContact CG2-CG2 4.1Å; L211-T215 WeakPolarHBondContact O-CB 3.26Å; L211-T215 WeakPolarHBondContact O-CG2 3.34Å; L211-T215 PolarHBondContact O-N 3.35Å; L211-T215 PolarHBondContact O-OG1 2.99Å; V212-T215 PolarHBondContact O-N 3.29Å; E213-T215 PolarHBondContact O-N 3.44Å; E213-T215 VanDerWaalsContact O-N 3.09Å; T215-L217 PolarHBondContact O-N 3.27Å; T215-L217 WeakPolarHBondContact OG1-CB 3.07Å; T215-L217 WeakPolarHBondContact OG1-CG 3.48Å; T215-L217 PolarHBondContact OG1-N 3.22Å
216G91.8Very high92.3Very high70 Ų7070.9 Ų70.972%0.72236%0.363SS*.THydrogen-bonded Turntrans64.413.6-170.400000114.1V212 E213V212-G216 WeakPolarHBondContact O-CA 3.23Å; V212-G216 PolarHBondContact O-N 2.79Å; E213-G216 PolarHBondContact O-N 3.4Å
217L92.5Very high92.3Very high19 Ų1969.5 Ų69.510%0.09935%0.353CS..  trans-93.1135.8-176.7-64.3174.6000111.2L185 Q189 L193 T215 V221 I222L185-L217 HydrophobicContact CD1-CD1 3.79Å; L185-L217 HydrophobicContact CD1-CD2 3.71Å; L185-L217 HydrophobicContact CD1-CG 4.43Å; L185-L217 HydrophobicContact CD2-CD1 3.91Å; L185-L217 HydrophobicContact CG-CD1 3.95Å; L185-L217 HydrophobicContact CG-CD2 4.4Å; Q189-L217 HydrophobicContact CB-CD1 4.12Å; L193-L217 HydrophobicContact CD1-CD1 3.92Å; T215-L217 PolarHBondContact O-N 3.27Å; T215-L217 WeakPolarHBondContact OG1-CB 3.07Å; T215-L217 WeakPolarHBondContact OG1-CG 3.48Å; T215-L217 PolarHBondContact OG1-N 3.22Å; L217-V221 HydrophobicContact CB-CB 4.44Å; L217-V221 HydrophobicContact CB-CG1 4.35Å; L217-V221 HydrophobicContact CD1-CG1 4.24Å; L217-V221 HydrophobicContact CD2-CG1 4.27Å; L217-I222 HydrophobicContact CB-CD1 4.09Å; L217-I222 HydrophobicContact CB-CG1 3.86Å; L217-I222 HydrophobicContact CD1-CG1 4.49Å
218S92.8Very high92.5Very high62 Ų6270.7 Ų70.743%0.43436%0.361SS..  trans-59.1148.7-179.7740000112.8R220 V221 I222S218-R220 PolarHBondContact O-N 2.71Å; S218-V221 PolarHBondContact O-N 2.89Å; S218-I222 PolarHBondContact O-N 3.05Å
219P91.9Very high92.6Very high74 Ų7470.4 Ų70.448%0.48136%0.36SS..Hα-helixtrans-56.4-16.3178.8-22.427.1000114.7V212 R223V212-P219 HydrophobicContact CG2-CB 4.17Å; V212-P219 HydrophobicContact CG2-CG 3.83Å; P219-R223 VanDerWaalsContact O-CG 3.32Å; P219-R223 WeakPolarHBondContact O-CG 3.43Å; P219-R223 PolarHBondContact O-NE 3.47Å
220R91.3Very high92.7Very high182 Ų18269.2 Ų69.269%0.68735%0.35SS*.Hα-helixtrans-79.2-43.8172.4-173.3175178.187.72.7112S218 R223 V224S218-R220 PolarHBondContact O-N 2.71Å; R220-R223 PolarHBondContact O-N 3.22Å; R220-V224 HydrophobicContact CG-CG2 4.42Å; R220-V224 WeakPolarHBondContact O-CB 3.5Å; R220-V224 VanDerWaalsContact O-CG2 3.3Å; R220-V224 WeakPolarHBondContact O-CG2 3.37Å; R220-V224 PolarHBondContact O-N 3.02Å
221V91.3Very high92.9Very high43 Ų4368.8 Ų68.826%0.26136%0.357SS..Hα-helixtrans-61.5-45.8179.3172.50000110.4L185 L217 S218 V224 W225L185-V221 HydrophobicContact CD1-CG1 4.05Å; L217-V221 HydrophobicContact CB-CB 4.44Å; L217-V221 HydrophobicContact CB-CG1 4.35Å; L217-V221 HydrophobicContact CD1-CG1 4.24Å; L217-V221 HydrophobicContact CD2-CG1 4.27Å; S218-V221 PolarHBondContact O-N 2.89Å; V221-V224 PolarHBondContact O-N 3.48Å; V221-W225 WeakPolarHBondContact O-CB 3.34Å; V221-W225 PolarHBondContact O-N 2.85Å
222I92.8Very high92.8Very high1 Ų176 Ų761%0.00539%0.388CS..Hα-helixtrans-64.3-46.5-179.4-56.3-170.5000111.2L193 L211 V212 L217 S218 V224 W225 F226L193-I222 HydrophobicContact CD2-CG2 4.02Å; L211-I222 VanDerWaalsContact C-CD1 3.42Å; L211-I222 HydrophobicContact CB-CD1 3.84Å; L211-I222 HydrophobicContact CB-CG2 4.39Å; L211-I222 HydrophobicContact CD1-CG2 4.27Å; L211-I222 WeakPolarHBondContact O-CD1 3.35Å; V212-I222 HydrophobicContact CB-CD1 4.35Å; V212-I222 HydrophobicContact CG2-CD1 3.79Å; L217-I222 HydrophobicContact CB-CD1 4.09Å; L217-I222 HydrophobicContact CB-CG1 3.86Å; L217-I222 HydrophobicContact CD1-CG1 4.49Å; S218-I222 PolarHBondContact O-N 3.05Å; I222-V224 VanDerWaalsContact C-N 3.35Å; I222-V224 PolarHBondContact O-N 2.88Å; I222-W225 PolarHBondContact O-N 3.17Å; I222-F226 HydrophobicContact CG2-CD2 3.93Å; I222-F226 HydrophobicContact CG2-CE2 4.03Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.76Å
223R92.6Very high92.6Very high136 Ų13676.6 Ų76.651%0.51339%0.39SS..Hα-helixtrans-57.7-44.7174.6-78.5-175.3-70.3168.5-7.5112.5K208 P219 R220 Q227K208-R223 HydrophobicContact CD-CG 4.09Å; P219-R223 VanDerWaalsContact O-CG 3.32Å; P219-R223 WeakPolarHBondContact O-CG 3.43Å; P219-R223 PolarHBondContact O-NE 3.47Å; R220-R223 PolarHBondContact O-N 3.22Å; R223-Q227 VanDerWaalsContact O-CG 3.3Å; R223-Q227 WeakPolarHBondContact O-CG 3.34Å; R223-Q227 PolarHBondContact O-N 3.49Å
224V93.4Very high92.6Very high54 Ų5476 Ų7633%0.32739%0.385SS..Hα-helixtrans-67.4-37.6178.3169.40000111.5R220 V221 I222 Q227 N228R220-V224 HydrophobicContact CG-CG2 4.42Å; R220-V224 WeakPolarHBondContact O-CB 3.5Å; R220-V224 VanDerWaalsContact O-CG2 3.3Å; R220-V224 WeakPolarHBondContact O-CG2 3.37Å; R220-V224 PolarHBondContact O-N 3.02Å; V221-V224 PolarHBondContact O-N 3.48Å; I222-V224 VanDerWaalsContact C-N 3.35Å; I222-V224 PolarHBondContact O-N 2.88Å; V224-Q227 PolarHBondContact O-N 3.25Å; V224-N228 WeakPolarHBondContact CG1-ND2 3.39Å; V224-N228 WeakPolarHBondContact O-CB 3.4Å; V224-N228 PolarHBondContact O-N 2.95Å; V224-N228 PolarHBondContact O-ND2 3.02Å
225W94.5Very high92.6Very high40 Ų4078.5 Ų78.515%0.15239%0.393CS..Hα-helixtrans-61.8-49.2175.5-171.5104.8000111.3L190 L193 R194 Y197 V221 I222 Q227 N228 K229L190-W225 HydrophobicContact CD1-CZ2 4.05Å; L193-W225 VanDerWaalsContact C-CH2 3.46Å; L193-W225 HydrophobicContact CB-CD2 4.02Å; L193-W225 HydrophobicContact CB-CE3 4.07Å; L193-W225 HydrophobicContact CB-CH2 3.79Å; L193-W225 HydrophobicContact CB-CZ2 3.67Å; L193-W225 HydrophobicContact CB-CZ3 3.97Å; L193-W225 HydrophobicContact CD1-CD2 3.99Å; L193-W225 HydrophobicContact CD1-CG 3.92Å; L193-W225 HydrophobicContact CG-CD2 4.48Å; L193-W225 VanDerWaalsContact O-CH2 3.26Å; L193-W225 WeakPolarHBondContact O-CH2 3.39Å; L193-W225 WeakPolarHBondContact O-CZ3 3.37Å; R194-W225 HydrophobicContact CG-CZ2 4.35Å; Y197-W225 HydrophobicContact CD2-CZ3 4.09Å; Y197-W225 HydrophobicContact CG-CH2 4.37Å; Y197-W225 HydrophobicContact CG-CZ3 4.2Å; V221-W225 WeakPolarHBondContact O-CB 3.34Å; V221-W225 PolarHBondContact O-N 2.85Å; I222-W225 PolarHBondContact O-N 3.17Å; W225-Q227 VanDerWaalsContact C-N 3.3Å; W225-Q227 PolarHBondContact O-N 2.9Å; W225-N228 PolarHBondContact O-N 3.41Å; W225-K229 HydrophobicContact CE3-CB 4.23Å; W225-K229 HydrophobicContact CH2-CB 4.34Å; W225-K229 HydrophobicContact CH2-CD 4.28Å; W225-K229 HydrophobicContact CH2-CG 4.08Å; W225-K229 HydrophobicContact CZ3-CB 4.03Å; W225-K229 HydrophobicContact CZ3-CG 4.09Å; W225-K229 WeakPolarHBondContact O-CB 3.38Å; W225-K229 PolarHBondContact O-N 3.26Å
226F95.6Very high92.6Very high5 Ų585.1 Ų85.12%0.02242%0.42CS..Hα-helixtrans-68.2-25.2177.8-87-91.8000113.6L193 C196 Y197 P203 L211 I222 R230L193-F226 HydrophobicContact CD2-CE2 3.78Å; C196-F226 HydrophobicContact CB-CZ 4.34Å; Y197-F226 AromaticContact CD2-CD1 3.72Å; Y197-F226 HydrophobicContact CD2-CD1 3.72Å; Y197-F226 AromaticContact CD2-CE1 3.72Å; Y197-F226 HydrophobicContact CD2-CE1 3.72Å; Y197-F226 HydrophobicContact CE2-CD1 4.4Å; Y197-F226 HydrophobicContact CG-CE1 4.39Å; P203-F226 VanDerWaalsContact CD-CE1 3.42Å; P203-F226 HydrophobicContact CG-CD1 3.84Å; P203-F226 HydrophobicContact CG-CD2 4.43Å; P203-F226 HydrophobicContact CG-CE1 3.59Å; P203-F226 HydrophobicContact CG-CE2 4.22Å; P203-F226 HydrophobicContact CG-CG 4.27Å; P203-F226 HydrophobicContact CG-CZ 3.8Å; L211-F226 HydrophobicContact CD1-CE2 3.77Å; L211-F226 HydrophobicContact CD1-CZ 4.02Å; I222-F226 HydrophobicContact CG2-CD2 3.93Å; I222-F226 HydrophobicContact CG2-CE2 4.03Å; I222-F226 WeakPolarHBondContact O-CD2 3.47Å; I222-F226 PolarHBondContact O-N 2.76Å; F226-R230 WeakPolarHBondContact O-CG 3.46Å; F226-R230 PolarHBondContact O-NE 3.03Å
227Q92.5Very high92.4Very high98 Ų9884.9 Ų84.946%0.45841%0.407SS..Hα-helixtrans-70.6-53.7168.5-74.5169.6-9.300110.7R223 V224 W225 K229 R230 C231R223-Q227 VanDerWaalsContact O-CG 3.3Å; R223-Q227 WeakPolarHBondContact O-CG 3.34Å; R223-Q227 PolarHBondContact O-N 3.49Å; V224-Q227 PolarHBondContact O-N 3.25Å; W225-Q227 VanDerWaalsContact C-N 3.3Å; W225-Q227 PolarHBondContact O-N 2.9Å; Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 2.79Å; Q227-R230 PolarHBondContact O-N 2.93Å; Q227-C231 PolarHBondContact O-N 3.45Å; Q227-C231 PolarHBondContact O-SG 3.19Å; Q227-C231 VanDerWaalsContact O-SG 3.36Å
228N94.7Very high92.1Very high97 Ų9788.7 Ų88.752%0.51943%0.427SS..Hα-helixtrans-60.4-39.9-178.7-72.3-19.5000112.8V224 W225 C231 K232V224-N228 WeakPolarHBondContact CG1-ND2 3.39Å; V224-N228 WeakPolarHBondContact O-CB 3.4Å; V224-N228 PolarHBondContact O-N 2.95Å; V224-N228 PolarHBondContact O-ND2 3.02Å; W225-N228 PolarHBondContact O-N 3.41Å; N228-C231 PolarHBondContact O-N 3.3Å; N228-K232 WeakPolarHBondContact O-CB 3.46Å; N228-K232 PolarHBondContact O-N 3.47Å
229K93.4Very high92Very high51 Ų5190.9 Ų90.922%0.22243%0.433CS..Hα-helixtrans-61.6-49.7176.7-17766.5171.678.20111.5Y197 W225 Q227 C231 K232 D233Y197-K229 HydrophobicContact CD1-CD 4.43Å; Y197-K229 HydrophobicContact CD1-CG 3.85Å; Y197-K229 HydrophobicContact CD2-CB 4.26Å; Y197-K229 HydrophobicContact CD2-CG 3.62Å; Y197-K229 HydrophobicContact CE1-CD 4.33Å; Y197-K229 HydrophobicContact CE1-CG 3.68Å; Y197-K229 VanDerWaalsContact CE1-NZ 3.25Å; Y197-K229 HydrophobicContact CE2-CB 4.02Å; Y197-K229 HydrophobicContact CE2-CG 3.44Å; Y197-K229 VanDerWaalsContact CE2-CG 3.44Å; Y197-K229 HydrophobicContact CG-CG 3.82Å; Y197-K229 VanDerWaalsContact CZ-CG 3.45Å; W225-K229 HydrophobicContact CE3-CB 4.23Å; W225-K229 HydrophobicContact CH2-CB 4.34Å; W225-K229 HydrophobicContact CH2-CD 4.28Å; W225-K229 HydrophobicContact CH2-CG 4.08Å; W225-K229 HydrophobicContact CZ3-CB 4.03Å; W225-K229 HydrophobicContact CZ3-CG 4.09Å; W225-K229 WeakPolarHBondContact O-CB 3.38Å; W225-K229 PolarHBondContact O-N 3.26Å; Q227-K229 VanDerWaalsContact C-N 3.34Å; Q227-K229 PolarHBondContact O-N 2.79Å; K229-C231 PolarHBondContact O-N 3.44Å; K229-K232 PolarHBondContact O-N 3.08Å; K229-D233 IonicContact NZ-OD1 2.64Å; K229-D233 PolarHBondContact NZ-OD1 2.64Å; K229-D233 IonicContact NZ-OD2 3.16Å; K229-D233 PolarHBondContact NZ-OD2 3.2Å; K229-D233 VanDerWaalsContact O-CG 3.28Å; K229-D233 PolarHBondContact O-N 2.93Å
230R94.8Very high91.7Very high97 Ų9793.5 Ų93.537%0.36644%0.441SS..Hα-helixtrans-61.2-40.8175.9-72.6-178-69.3141.2-3.4112.5Y197 P201 F226 Q227 D233 K234Y197-R230 HydrophobicContact CE2-CG 3.84Å; P201-R230 WeakPolarHBondContact O-CD 3.19Å; F226-R230 WeakPolarHBondContact O-CG 3.46Å; F226-R230 PolarHBondContact O-NE 3.03Å; Q227-R230 PolarHBondContact O-N 2.93Å; R230-D233 PolarHBondContact O-N 2.81Å; R230-K234 WeakPolarHBondContact O-CB 3.36Å; R230-K234 PolarHBondContact O-N 3.44Å
231C93.5Very high91.5Very high87 Ų8791.8 Ų91.859%0.58844%0.438SS*.Hα-helixtrans-64.6-41.7176.1-690000112.1Q227 N228 K229 K235Q227-C231 PolarHBondContact O-N 3.45Å; Q227-C231 PolarHBondContact O-SG 3.19Å; Q227-C231 VanDerWaalsContact O-SG 3.36Å; N228-C231 PolarHBondContact O-N 3.3Å; K229-C231 PolarHBondContact O-N 3.44Å; C231-K235 PolarHBondContact O-N 3Å
232K91.8Very high91.1Very high156 Ų15695.6 Ų95.668%0.67845%0.453SS*.Hα-helixtrans-63.4-44.7175.7-173.4174.9-178.91780111.6N228 K229 K235 K236N228-K232 WeakPolarHBondContact O-CB 3.46Å; N228-K232 PolarHBondContact O-N 3.47Å; K229-K232 PolarHBondContact O-N 3.08Å; K232-K235 PolarHBondContact O-N 3.06Å; K232-K236 PolarHBondContact O-N 3.17Å
233D90.9Very high90.6Very high51 Ų51101 Ų10127%0.27348%0.481SS..Hα-helixtrans-67.7-40.2179.3-65.4-8.8000111.8Y197 K229 R230 K235 K236 S237Y197-D233 WeakPolarHBondContact CE1-OD2 3.26Å; Y197-D233 PolarHBondContact OH-OD2 3.24Å; K229-D233 IonicContact NZ-OD1 2.64Å; K229-D233 PolarHBondContact NZ-OD1 2.64Å; K229-D233 IonicContact NZ-OD2 3.16Å; K229-D233 PolarHBondContact NZ-OD2 3.2Å; K229-D233 VanDerWaalsContact O-CG 3.28Å; K229-D233 PolarHBondContact O-N 2.93Å; R230-D233 PolarHBondContact O-N 2.81Å; D233-K235 VanDerWaalsContact C-N 3.33Å; D233-K235 PolarHBondContact O-N 3.21Å; D233-K236 PolarHBondContact O-N 3.2Å; D233-S237 PolarHBondContact O-N 2.91Å
234K91.9Very high90Very high151 Ų151100.5 Ų100.566%0.65749%0.485SS*.Hα-helixtrans-59-43.8172.1-173.5178.1175.1-179.90111.2R230 S237 I238R230-K234 WeakPolarHBondContact O-CB 3.36Å; R230-K234 PolarHBondContact O-N 3.44Å; K234-S237 PolarHBondContact O-N 3.42Å; K234-I238 HydrophobicContact CG-CD1 4.14Å; K234-I238 WeakPolarHBondContact O-CG1 3.4Å; K234-I238 PolarHBondContact O-N 3.15Å; K234-I238 VanDerWaalsContact O-N 3.08Å
235K90.3Very high88.9Confident163 Ų163104.7 Ų104.771%0.70950%0.501SS*.Hα-helixtrans-63.2-41.3175.2-171.6173.8-179176.90112C231 K232 D233 I238 L239C231-K235 PolarHBondContact O-N 3Å; K232-K235 PolarHBondContact O-N 3.06Å; D233-K235 VanDerWaalsContact C-N 3.33Å; D233-K235 PolarHBondContact O-N 3.21Å; K235-I238 PolarHBondContact O-N 3.15Å; K235-L239 PolarHBondContact O-N 3.39Å; K235-L239 VanDerWaalsContact O-N 3.08Å
236K89.5Confident87.4Confident150 Ų150108.3 Ų108.365%0.65252%0.519SS*.Hα-helixtrans-62-42.5175.5-170-176.6178.5-173.20111.7K232 D233 L239 M240K232-K236 PolarHBondContact O-N 3.17Å; D233-K236 PolarHBondContact O-N 3.2Å; K236-L239 PolarHBondContact O-N 2.99Å; K236-M240 WeakPolarHBondContact O-CB 3.19Å; K236-M240 PolarHBondContact O-N 3.01Å
237S88.3Confident85.6Confident65 Ų65114.5 Ų114.546%0.45555%0.549SS..Hα-helixtrans-63.3-42.6178.3-177.40000112.5D233 K234 M240 K241D233-S237 PolarHBondContact O-N 2.91Å; K234-S237 PolarHBondContact O-N 3.42Å; S237-M240 PolarHBondContact O-N 3.15Å; S237-K241 PolarHBondContact O-N 2.83Å; S237-K241 VanDerWaalsContact O-N 3.1Å
238I86.9Confident83.8Confident99 Ų99116.6 Ų116.651%0.50856%0.558SS.*Hα-helixtrans-62.3-48.4175.9-67164.3000110.7K234 K235 M240 K241 Q242K234-I238 HydrophobicContact CG-CD1 4.14Å; K234-I238 WeakPolarHBondContact O-CG1 3.4Å; K234-I238 PolarHBondContact O-N 3.15Å; K234-I238 VanDerWaalsContact O-N 3.08Å; K235-I238 PolarHBondContact O-N 3.15Å; I238-M240 VanDerWaalsContact C-N 3.33Å; I238-M240 PolarHBondContact O-N 2.92Å; I238-K241 PolarHBondContact O-N 2.63Å; I238-Q242 PolarHBondContact O-N 3.35Å
239L90.3Very high81.5Confident109 Ų109114.9 Ų114.957%0.57155%0.554SS**Hα-helixtrans-61.1-40.5178.8-179.163.1000112.4K235 K236 Q242 L243K235-L239 PolarHBondContact O-N 3.39Å; K235-L239 VanDerWaalsContact O-N 3.08Å; K236-L239 PolarHBondContact O-N 2.99Å; L239-Q242 PolarHBondContact O-N 2.81Å; L239-L243 PolarHBondContact O-N 2.9Å
240M86.1Confident79.4Confident128 Ų128117.9 Ų117.963%0.63157%0.572SS**Hα-helixtrans-65.2-39.2178.2-171.2172.7179.100112.1K236 S237 I238 Q244K236-M240 WeakPolarHBondContact O-CB 3.19Å; K236-M240 PolarHBondContact O-N 3.01Å; S237-M240 PolarHBondContact O-N 3.15Å; I238-M240 VanDerWaalsContact C-N 3.33Å; I238-M240 PolarHBondContact O-N 2.92Å; M240-Q244 WeakPolarHBondContact O-CB 3.42Å; M240-Q244 PolarHBondContact O-N 3Å; M240-Q244 VanDerWaalsContact O-N 3.1Å
241K86.1Confident77.1Confident146 Ų146122.1 Ų122.164%0.63559%0.593SS**Hα-helixtrans-64.9-42.1172.9-73.6-171174.4-1640112.4S237 I238 L243 Q244 Q245S237-K241 PolarHBondContact O-N 2.83Å; S237-K241 VanDerWaalsContact O-N 3.1Å; I238-K241 PolarHBondContact O-N 2.63Å; K241-L243 PolarHBondContact O-N 3.4Å; K241-Q244 PolarHBondContact O-N 3.29Å; K241-Q245 WeakPolarHBondContact O-CB 3.38Å; K241-Q245 PolarHBondContact O-N 3.36Å
242Q84.3Confident74.7Confident124 Ų124123.9 Ų123.958%0.57960%0.602SS**Hα-helixtrans-61-45.1178.3-171.7175.49.400111.7I238 L239 Q245 Q246I238-Q242 PolarHBondContact O-N 3.35Å; L239-Q242 PolarHBondContact O-N 2.81Å; Q242-Q245 PolarHBondContact O-N 2.85Å; Q242-Q246 PolarHBondContact O-N 2.88Å
243L81.6Confident72.3Confident113 Ų113122 Ų12259%0.59260%0.599SS**Hα-helixtrans-63.9-40.4176.7-175.763.9000112.3L239 K241 Q246 Q247L239-L243 PolarHBondContact O-N 2.9Å; K241-L243 PolarHBondContact O-N 3.4Å; L243-Q246 PolarHBondContact O-N 3.26Å; L243-Q247 PolarHBondContact O-N 3.36Å; L243-Q247 VanDerWaalsContact O-N 3.14Å
244Q78.6Confident69.9Low126 Ų126128.1 Ų128.159%0.58963%0.631SS**Hα-helixtrans-69-33.7178.3-169.1168.619.500112.6M240 K241 Q248M240-Q244 WeakPolarHBondContact O-CB 3.42Å; M240-Q244 PolarHBondContact O-N 3Å; M240-Q244 VanDerWaalsContact O-N 3.1Å; K241-Q244 PolarHBondContact O-N 3.29Å; Q244-Q248 PolarHBondContact O-N 3.37Å
245Q70.4Confident67.4Low142 Ų142129.2 Ų129.266%0.66464%0.638SS**Hα-helixtrans-69.6-39.7175-168.3169.514.600111.7K241 Q242 Q247 Q248 S249K241-Q245 WeakPolarHBondContact O-CB 3.38Å; K241-Q245 PolarHBondContact O-N 3.36Å; Q242-Q245 PolarHBondContact O-N 2.85Å; Q245-Q247 VanDerWaalsContact C-N 3.34Å; Q245-Q247 PolarHBondContact O-N 3.01Å; Q245-Q248 PolarHBondContact O-N 3.36Å; Q245-Q248 VanDerWaalsContact O-N 3.12Å; Q245-S249 PolarHBondContact O-N 3.27Å
246Q63.3Low64.9Low116 Ų116124.5 Ų124.554%0.54264%0.636SS.*Hα-helixtrans-60.3-43174.3-171.6170.8100111.8Q242 L243 Q248 S249 D250Q242-Q246 PolarHBondContact O-N 2.88Å; L243-Q246 PolarHBondContact O-N 3.26Å; Q246-Q248 PolarHBondContact O-N 2.62Å; Q246-S249 WeakPolarHBondContact CA-OG 3.43Å; Q246-S249 PolarHBondContact O-N 3.09Å; Q246-S249 VanDerWaalsContact O-N 3.14Å; Q246-S249 PolarHBondContact O-OG 3.21Å; Q246-D250 PolarHBondContact O-N 3.5Å
247Q59.2Low62.7Low136 Ų136125.8 Ų125.864%0.63665%0.649SS**Hα-helixtrans-68.8-10.8176.7-169.1167.486.700114.3L243 Q245L243-Q247 PolarHBondContact O-N 3.36Å; L243-Q247 VanDerWaalsContact O-N 3.14Å; Q245-Q247 VanDerWaalsContact C-N 3.34Å; Q245-Q247 PolarHBondContact O-N 3.01Å
248Q54.5Low60.9Low142 Ų142128.5 Ų128.566%0.66466%0.663SS**Hα-helixtrans-88.7-34.8168.8-83.1-177.2-44.200112.8Q244 Q245 Q246 D250 K251Q244-Q248 PolarHBondContact O-N 3.37Å; Q245-Q248 PolarHBondContact O-N 3.36Å; Q245-Q248 VanDerWaalsContact O-N 3.12Å; Q246-Q248 PolarHBondContact O-N 2.62Å; Q248-D250 VanDerWaalsContact C-N 3.28Å; Q248-D250 PolarHBondContact O-N 2.93Å; Q248-K251 PolarHBondContact O-N 3.29Å
249S46.8Very low59.6Low61 Ų61124.2 Ų124.243%0.42764%0.644SS.*Hα-helixtrans-64.1-31.817435.40000113.2Q245 Q246 K251 T252 N253Q245-S249 PolarHBondContact O-N 3.27Å; Q246-S249 WeakPolarHBondContact CA-OG 3.43Å; Q246-S249 PolarHBondContact O-N 3.09Å; Q246-S249 VanDerWaalsContact O-N 3.14Å; Q246-S249 PolarHBondContact O-OG 3.21Å; S249-K251 PolarHBondContact O-N 3.39Å; S249-T252 PolarHBondContact O-N 3.22Å; S249-T252 PolarHBondContact O-OG1 3.49Å; S249-N253 PolarHBondContact O-N 2.89Å
250D47.6Very low58.5Low114 Ų114122.8 Ų122.861%0.6164%0.64SS**THydrogen-bonded Turntrans-65.5-10.5178.6-59.8-29.7000113.6Q246 Q248Q246-D250 PolarHBondContact O-N 3.5Å; Q248-D250 VanDerWaalsContact C-N 3.28Å; Q248-D250 PolarHBondContact O-N 2.93Å
251K46.4Very low58Low185 Ų185120.9 Ų120.980%0.80464%0.637SS**THydrogen-bonded Turntrans-101.1-6.7178-68.1-166.3175.9-171.80115Q248 S249Q248-K251 PolarHBondContact O-N 3.29Å; S249-K251 PolarHBondContact O-N 3.39Å
252T44.8Very low58.1Low124 Ų124116.2 Ų116.276%0.76162%0.619SS**THydrogen-bonded Turntrans-117.2-6.1179.754.90000113.9S249S249-T252 PolarHBondContact O-N 3.22Å; S249-T252 PolarHBondContact O-OG1 3.49Å
253N40.5Very low58.3Low116 Ų116115 Ų11562%0.6262%0.619SS**  trans-115.976.6178.4-162.3-11.4000112.6S249 Q255S249-N253 PolarHBondContact O-N 2.89Å; N253-Q255 VanDerWaalsContact C-N 3.34Å; N253-Q255 PolarHBondContact OD1-N 3.45Å; N253-Q255 PolarHBondContact OD1-O 3.12Å
254L41.4Very low58.3Low181 Ų181109.8 Ų109.895%0.94859%0.593SS**  trans-10150.6168.9-125.2148000110.1
255Q38.3Very low58.7Low173 Ų173105.9 Ų105.981%0.80859%0.586SS**  trans-130.5112.5171.6-159.8130.346.600108.6N253N253-Q255 VanDerWaalsContact C-N 3.34Å; N253-Q255 PolarHBondContact OD1-N 3.45Å; N253-Q255 PolarHBondContact OD1-O 3.12Å
256G38.8Very low59.4Low65 Ų65103.6 Ų103.667%0.6759%0.586SS**  trans-88-165.2-159.100000116.7
257L42.9Very low60.5Low177 Ų17799.8 Ų99.893%0.92757%0.571SS**  trans71.231.4162.5-49.8-178.6000118.1
258T50.2Low61.8Low121 Ų12197.3 Ų97.374%0.74256%0.562SS**  trans-128.3129.8154.451.90000112T260T258-T260 PolarHBondContact O-N 3.17Å
259G58.6Low63.1Low10 Ų1099.8 Ų99.810%0.10357%0.565CS.*  trans-73.593.9174.600000109.9
260T68.9Low64.5Low79 Ų7997.1 Ų97.149%0.48555%0.545SS..  trans-53.6121.9-176.6-7.20000110.3R93 T258R93-T260 PolarHBondContact NH2-O 2.83Å; R93-T260 PolarHBondContact NH2-OG1 3.02Å; T258-T260 PolarHBondContact O-N 3.17Å
261P74.6Confident65.2Low87 Ų8797.6 Ų97.657%0.56555%0.548SS*.  trans-64.5142.7-176.725.7-33.9000110.7
262L88.3Confident65.5Low49 Ų4991.1 Ų91.126%0.25752%0.522SS..EExtended strand (participates in β ladder)trans-124.4148.1179.7-62.8179.6000108.7R93 E116 F117R93-L262 HydrophobicContact CG-CD1 3.76Å; E116-L262 WeakPolarHBondContact CA-O 3.3Å; F117-L262 HydrophobicContact CD1-CB 3.98Å; F117-L262 WeakPolarHBondContact CD1-O 3.45Å; F117-L262 HydrophobicContact CE1-CB 3.45Å; F117-L262 VanDerWaalsContact CE1-CB 3.45Å; F117-L262 HydrophobicContact CE1-CD1 4.45Å; F117-L262 HydrophobicContact CE2-CB 4.15Å; F117-L262 HydrophobicContact CE2-CD1 3.93Å; F117-L262 HydrophobicContact CZ-CB 3.55Å; F117-L262 HydrophobicContact CZ-CD1 3.68Å; F117-L262 HydrophobicContact CZ-CG 4.27Å; F117-L262 PolarHBondContact N-O 3.48Å; F117-L262 PolarHBondContact O-N 3.11Å; F117-L262 VanDerWaalsContact O-O 3.11Å
263V87.8Confident65.7Low97 Ų9788.9 Ų88.959%0.58852%0.517SS*.EExtended strand (participates in β ladder)trans-98.6131.6169-176.90000108.3D115 E116 G265D115-V263 WeakPolarHBondContact O-CA 3.23Å; E116-V263 HydrophobicContact CG-CG2 4.39Å; V263-G265 PolarHBondContact O-N 3.3Å
264A83.4Confident66Low5 Ų584.8 Ų84.84%0.04150%0.495CS..PPolyproline II helixtrans-63121.717700000110.7M90 F102 L112 P113 G114 D115 F117M90-A264 HydrophobicContact CE-CB 4.05Å; F102-A264 HydrophobicContact CE1-CB 4.06Å; L112-A264 VanDerWaalsContact O-CB 3.27Å; L112-A264 WeakPolarHBondContact O-CB 3.45Å; P113-A264 CarbonylContact C-O 3.59Å; P113-A264 VanDerWaalsContact CA-O 3.29Å; P113-A264 WeakPolarHBondContact CA-O 3.37Å; G114-A264 PolarHBondContact N-O 3.43Å; D115-A264 PolarHBondContact O-N 3.27Å; F117-A264 HydrophobicContact CD1-CB 4.24Å; F117-A264 HydrophobicContact CE1-CB 4.21Å
265G85.2Confident65.9Low44 Ų4485.7 Ų85.745%0.45450%0.495SS..PPolyproline II helixtrans-76.2157.3175.800000112.3M90 V263M90-G265 VanDerWaalsContact CE-O 3.27Å; M90-G265 WeakPolarHBondContact CE-O 3.41Å; V263-G265 PolarHBondContact O-N 3.3Å
266S86.5Confident66.1Low93 Ų9378.6 Ų78.665%0.6547%0.468SS*.PPolyproline II helixtrans-53.6137.6171.9-55.90000111.7I268S266-I268 PolarHBondContact O-N 3.35Å
267P86.1Confident66.1Low36 Ų3682.2 Ų82.223%0.23447%0.472CS..PPolyproline II helixtrans-53.8130.5172.2-21.327.4000110.9L88 M90 M99L88-P267 HydrophobicContact CB-CB 3.96Å; M90-P267 HydrophobicContact SD-CB 4.09Å; M90-P267 HydrophobicContact SD-CG 3.67Å; M99-P267 HydrophobicContact CE-CB 4.5Å; M99-P267 HydrophobicContact CE-CG 3.89Å; M99-P267 HydrophobicContact CG-CB 4.31Å; M99-P267 HydrophobicContact CG-CG 4.36Å; M99-P267 HydrophobicContact SD-CB 3.79Å; M99-P267 HydrophobicContact SD-CG 3.83Å
268I86Confident66.2Low85 Ų8578.3 Ų78.344%0.43646%0.457SS..EExtended strand (participates in β ladder)trans-108.7151.517659.9176000109.4L88 V89 R91 S266 H270L88-I268 CarbonylContact C-O 3.53Å; L88-I268 WeakPolarHBondContact CA-O 3.32Å; V89-I268 HydrophobicContact CG2-CG1 4.11Å; V89-I268 WeakPolarHBondContact CG2-O 3.44Å; V89-I268 PolarHBondContact N-O 2.6Å; V89-I268 PolarHBondContact O-N 2.79Å; V89-I268 VanDerWaalsContact O-N 3.09Å; R91-I268 HydrophobicContact CG-CD1 4.37Å; S266-I268 PolarHBondContact O-N 3.35Å; I268-H270 PolarHBondContact O-N 3.35Å
269R82.2Confident66.3Low194 Ų19473.2 Ų73.273%0.73243%0.426SS*.EExtended strand (participates in β ladder)trans-61.9137170.2-76.5-173.2173.9-175.6-3.3109.9D87 L88 D271D87-R269 CarbonylContact O-C 3.57Å; D87-R269 WeakPolarHBondContact O-CA 3.37Å; L88-R269 HydrophobicContact CD2-CG 3.73Å; R269-D271 PolarHBondContact O-N 3.22Å
270H77.1Confident65.6Low4 Ų480.2 Ų80.22%0.01946%0.456CS..  trans-73.677164.9-169.6-79.2000109.1F83 D87 V89 I268 N272F83-H270 HydrophobicContact CB-CB 4.02Å; F83-H270 AromaticContact CD2-CD2 3.44Å; F83-H270 VanDerWaalsContact CD2-CD2 3.44Å; F83-H270 WeakPolarHBondContact CD2-CD2 3.1Å; F83-H270 AromaticContact CD2-NE2 3.66Å; F83-H270 HydrophobicContact CG-CB 4.42Å; F83-H270 AromaticContact CG-CD2 3.81Å; F83-H270 AromaticContact CG-CG 3.97Å; D87-H270 PolarHBondContact O-N 3.31Å; V89-H270 HydrophobicContact CG1-CB 3.89Å; V89-H270 HydrophobicContact CG2-CB 4Å; I268-H270 PolarHBondContact O-N 3.35Å; H270-N272 PolarHBondContact CE1-OD1 2.83Å; H270-N272 PolarHBondContact O-N 3.04Å; H270-N272 VanDerWaalsContact O-N 3.08Å
271D61.1Low64.5Low125 Ų12578.9 Ų78.967%0.66845%0.448SS*.  trans-58.6115.6168.4-164.3-64.7000108.1R269 A273R269-D271 PolarHBondContact O-N 3.22Å; D271-A273 PolarHBondContact O-N 3.39Å; D271-A273 WeakPolarHBondContact OD1-CB 3.36Å; D271-A273 PolarHBondContact OD1-N 3Å
272N53.5Low62.6Low48 Ų4883.4 Ų83.426%0.25746%0.461SS..  trans-84.630.8-170-1467000112.1H270 V274H270-N272 PolarHBondContact CE1-OD1 2.83Å; H270-N272 PolarHBondContact O-N 3.04Å; H270-N272 VanDerWaalsContact O-N 3.08Å; N272-V274 PolarHBondContact O-N 3.3Å
273A47.7Very low59.8Low78 Ų7886.4 Ų86.465%0.64548%0.482SS*.  trans-64.973.3160.800000110.2D271D271-A273 PolarHBondContact O-N 3.39Å; D271-A273 WeakPolarHBondContact OD1-CB 3.36Å; D271-A273 PolarHBondContact OD1-N 3Å
274V46.6Very low57.2Low29 Ų2990.1 Ų90.118%0.17649%0.486CS..  trans-55.1148.6168-174.70000109Y68 N272 G276Y68-V274 HydrophobicContact CE1-CB 4.06Å; Y68-V274 HydrophobicContact CE1-CG1 3.74Å; Y68-V274 HydrophobicContact CE1-CG2 4.25Å; N272-V274 PolarHBondContact O-N 3.3Å; V274-G276 PolarHBondContact O-N 3.47Å
275Q40Very low54.7Low200 Ų20096.3 Ų96.394%0.93551%0.514SS*.SBendtrans-75.557.4174.9-68.5-175.7-26.500112.3
276G43.6Very low52.3Low24 Ų2495 Ų9525%0.24750%0.498CS..SBendtrans-151.6134.4167.200000106.9V274 P278V274-G276 PolarHBondContact O-N 3.47Å; G276-P278 WeakPolarHBondContact O-CD 3.37Å; G276-P278 VanDerWaalsContact O-N 3.09Å
277N38.2Very low50.2Low142 Ų14295.2 Ų95.276%0.75950%0.497SS*.  trans-54.8118-174.6-69.2-18.3000109.9V279N277-V279 PolarHBondContact O-N 3.3Å; N277-V279 VanDerWaalsContact O-N 3.12Å
278P44.7Very low48.2Very low94 Ų9499.4 Ų99.461%0.6151%0.509SS*.  trans-68.5113174.327.7-31.9000107.6F56 G276 E280F56-P278 HydrophobicContact CE1-CB 4.06Å; G276-P278 WeakPolarHBondContact O-CD 3.37Å; G276-P278 VanDerWaalsContact O-N 3.09Å; P278-E280 PolarHBondContact O-N 2.88Å; P278-E280 VanDerWaalsContact O-N 3.07Å
279V51.9Low45.9Very low14 Ų1499.4 Ų99.49%0.08551%0.505CS..BIsolated β-bridgetrans-81.795.7-177.8-177.70000109.1V29 S30 N277V29-V279 HydrophobicContact CB-CG1 4.48Å; V29-V279 HydrophobicContact CG1-CB 4.24Å; V29-V279 HydrophobicContact CG1-CG1 3.6Å; V29-V279 HydrophobicContact CG1-CG2 4.43Å; S30-V279 WeakPolarHBondContact O-CG1 3.39Å; S30-V279 VanDerWaalsContact O-CG2 3.31Å; S30-V279 WeakPolarHBondContact O-CG2 3.37Å; N277-V279 PolarHBondContact O-N 3.3Å; N277-V279 VanDerWaalsContact O-N 3.12Å
280E45.3Very low44.2Very low158 Ų15894.3 Ų94.374%0.73850%0.5SS*.  trans-73.7123.6170.6-171.3164-150.500109.5P278 Q282P278-E280 PolarHBondContact O-N 2.88Å; P278-E280 VanDerWaalsContact O-N 3.07Å; E280-Q282 PolarHBondContact O-N 2.88Å; E280-Q282 VanDerWaalsContact O-N 3.13Å
281V45.5Very low42.4Very low50 Ų50100 Ų10030%0.30353%0.529SS..  trans-77.498.8175.2-179.20000107.3E51 T283E51-V281 HydrophobicContact CG-CG1 4.26Å; V281-T283 PolarHBondContact O-N 2.86Å; V281-T283 VanDerWaalsContact O-N 3.13Å
282Q33.1Very low41.8Very low183 Ų18396.5 Ų96.586%0.85552%0.515SS*.  trans-71.6107.6-165.9-163.6173.620.200112E280 Y284E280-Q282 PolarHBondContact O-N 2.88Å; E280-Q282 VanDerWaalsContact O-N 3.13Å; Q282-Y284 PolarHBondContact O-N 2.96Å
283T31.3Very low41.1Very low111 Ų11199.3 Ų99.368%0.68153%0.53SS*.  trans-71.8116.9-17856.50000112V281V281-T283 PolarHBondContact O-N 2.86Å; V281-T283 VanDerWaalsContact O-N 3.13Å
284Y32.8Very low41.2Very low175 Ų175103.6 Ų103.669%0.68653%0.534SS*.  trans-77.2129.4174.1-164.3-95.6000111.2Q282 P286Q282-Y284 PolarHBondContact O-N 2.96Å; Y284-P286 WeakPolarHBondContact O-CD 3.33Å
285Q30Very low41.3Very low135 Ų135105.4 Ų105.463%0.63155%0.552SS**  trans-84.5114.2171.5-101-83.915.900108.9
286P34.5Very low41.5Very low18 Ų18103 Ų10312%0.11755%0.545CS..  trans-80.8144.8-17532.9-34.9000111.9Y284 W288 K289Y284-P286 WeakPolarHBondContact O-CD 3.33Å; P286-W288 HydrophobicContact CB-CD2 4.45Å; P286-W288 HydrophobicContact CB-CG 4.46Å; P286-W288 HydrophobicContact CB-CZ2 4.35Å; P286-W288 HydrophobicContact CG-CD2 4.07Å; P286-W288 VanDerWaalsContact CG-CE2 3.45Å; P286-W288 HydrophobicContact CG-CH2 4.25Å; P286-W288 HydrophobicContact CG-CZ2 3.56Å; P286-W288 PolarHBondContact O-N 3.02Å; P286-K289 HydrophobicContact CG-CG 4.43Å; P286-K289 PolarHBondContact O-N 2.68Å
287P42.6Very low41.5Very low97 Ų97109.2 Ų109.263%0.6357%0.568SS**THydrogen-bonded Turntrans-55.7-27.7-173.2-29.135.8000116.2K289 S290P287-K289 PolarHBondContact O-N 2.66Å; P287-S290 PolarHBondContact O-N 2.95Å
288W43.8Very low41.8Very low124 Ų124107.9 Ų107.947%0.4757%0.565SS.*Hα-helixtrans-68.6-15.7179.355.6-105.2000114Y2 P286 L291 S292Y2-W288 HydrophobicContact CD1-CZ2 4.48Å; Y2-W288 HydrophobicContact CE1-CH2 4.16Å; Y2-W288 AromaticContact CE1-CZ2 3.78Å; Y2-W288 HydrophobicContact CE1-CZ2 3.78Å; Y2-W288 AromaticContact CZ-CZ2 3.97Å; P286-W288 HydrophobicContact CB-CD2 4.45Å; P286-W288 HydrophobicContact CB-CG 4.46Å; P286-W288 HydrophobicContact CB-CZ2 4.35Å; P286-W288 HydrophobicContact CG-CD2 4.07Å; P286-W288 VanDerWaalsContact CG-CE2 3.45Å; P286-W288 HydrophobicContact CG-CH2 4.25Å; P286-W288 HydrophobicContact CG-CZ2 3.56Å; P286-W288 PolarHBondContact O-N 3.02Å; W288-L291 PolarHBondContact O-N 2.92Å; W288-S292 PolarHBondContact O-N 3.1Å; W288-S292 PolarHBondContact O-OG 2.8Å
289K38.7Very low41.7Very low84 Ų84110.7 Ų110.737%0.36558%0.575SS.*Hα-helixtrans-67.1-39.2171.1-83.2-153.4164.6-160.30112.4P286 P287 L291 S292 D293P286-K289 HydrophobicContact CG-CG 4.43Å; P286-K289 PolarHBondContact O-N 2.68Å; P287-K289 PolarHBondContact O-N 2.66Å; K289-L291 PolarHBondContact O-N 3.05Å; K289-S292 WeakPolarHBondContact O-CA 3.48Å; K289-S292 WeakPolarHBondContact O-CB 3.5Å; K289-S292 PolarHBondContact O-N 3.29Å; K289-D293 PolarHBondContact O-N 3.17Å
290S46.5Very low41.1Very low88 Ų88117.8 Ų117.862%0.61561%0.611SS**Hα-helixtrans-62-28.2172.4-66.90000113.1P287 F294P287-S290 PolarHBondContact O-N 2.95Å; S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 PolarHBondContact O-N 2.91Å
291L39.5Very low40.5Very low123 Ų123116.9 Ų116.964%0.64461%0.611SS**Hα-helixtrans-78.1-27.5172.8-57.1178000112.4W288 K289 F294 A295W288-L291 PolarHBondContact O-N 2.92Å; K289-L291 PolarHBondContact O-N 3.05Å; L291-F294 PolarHBondContact O-N 2.99Å; L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 2.91Å
292S47.3Very low40.2Very low51 Ų51123.6 Ų123.636%0.35764%0.64SS.*Hα-helixtrans-71.7-44.6177.1-520000111.2W288 K289 F294 A295 L296W288-S292 PolarHBondContact O-N 3.1Å; W288-S292 PolarHBondContact O-OG 2.8Å; K289-S292 WeakPolarHBondContact O-CA 3.48Å; K289-S292 WeakPolarHBondContact O-CB 3.5Å; K289-S292 PolarHBondContact O-N 3.29Å; S292-F294 VanDerWaalsContact C-N 3.34Å; S292-A295 PolarHBondContact O-N 3.1Å; S292-L296 WeakPolarHBondContact O-CG 3.39Å; S292-L296 PolarHBondContact O-N 3.37Å
293D40.1Very low40.3Very low107 Ų107119.2 Ų119.257%0.57263%0.627SS**Hα-helixtrans-59.8-45169.7-77.3-68.6000110.6K289 A295 L296 Q297K289-D293 PolarHBondContact O-N 3.17Å; D293-A295 PolarHBondContact O-N 3.01Å; D293-L296 PolarHBondContact O-N 2.91Å; D293-Q297 WeakPolarHBondContact O-CB 3.3Å; D293-Q297 PolarHBondContact O-N 2.79Å
294F48.6Very low40.3Very low168 Ų168118.1 Ų118.174%0.73763%0.629SS**Hα-helixtrans-60.7-41.2-180-136.8-87.2000113.2S290 L291 S292 Q297 T298S290-F294 WeakPolarHBondContact O-CB 3.35Å; S290-F294 PolarHBondContact O-N 2.91Å; L291-F294 PolarHBondContact O-N 2.99Å; S292-F294 VanDerWaalsContact C-N 3.34Å; F294-Q297 PolarHBondContact O-N 3.28Å; F294-T298 PolarHBondContact O-OG1 2.93Å
295A49.9Very low40.2Very low68 Ų68117.6 Ų117.656%0.56263%0.631SS**Hα-helixtrans-67.3-35.5178.100000112.7L291 S292 D293 T298L291-A295 WeakPolarHBondContact O-CB 3.46Å; L291-A295 PolarHBondContact O-N 2.91Å; S292-A295 PolarHBondContact O-N 3.1Å; D293-A295 PolarHBondContact O-N 3.01Å; A295-T298 PolarHBondContact O-OG1 3.13Å
296L44.3Very low40.3Very low150 Ų150117.3 Ų117.379%0.78563%0.63SS**Hα-helixtrans-86.5-4.3-179.3-65174.7000113.8S292 D293S292-L296 WeakPolarHBondContact O-CG 3.39Å; S292-L296 PolarHBondContact O-N 3.37Å; D293-L296 PolarHBondContact O-N 2.91Å
297Q43.3Very low40.3Very low153 Ų153122.9 Ų122.972%0.71565%0.654SS**THydrogen-bonded Turntrans-90.3-7.1177.3-144.4789500113.9D293 F294 D299D293-Q297 WeakPolarHBondContact O-CB 3.3Å; D293-Q297 PolarHBondContact O-N 2.79Å; F294-Q297 PolarHBondContact O-N 3.28Å; Q297-D299 VanDerWaalsContact C-N 3.31Å; Q297-D299 PolarHBondContact O-N 2.94Å
298T44.9Very low39.9Very low115 Ų115124.6 Ų124.671%0.70666%0.657SS**SBendtrans-78.1-8-169.9-20.20000115.1F294 A295F294-T298 PolarHBondContact O-OG1 2.93Å; A295-T298 PolarHBondContact O-OG1 3.13Å
299D42.1Very low39.3Very low152 Ų152125 Ų12581%0.81367%0.673SS**SBendtrans-125.162.8-170.3-126.3-46.4000112.4Q297Q297-D299 VanDerWaalsContact C-N 3.31Å; Q297-D299 PolarHBondContact O-N 2.94Å
300L39.6Very low38.8Very low163 Ų163126 Ų12685%0.85369%0.691SS**SBendtrans-161.6146.6147.3-134.470.7000112.5
301D31.8Very low37.8Very low139 Ų139131.8 Ų131.874%0.74371%0.705SS**  trans66.683.1169.7-128.7-94.5000118.4P303D301-P303 WeakPolarHBondContact OD1-CD 3.32Å; D301-P303 VanDerWaalsContact OD1-CG 3.3Å; D301-P303 WeakPolarHBondContact OD1-CG 3.3Å
302Q39.1Very low37.4Very low192 Ų192130.3 Ų130.390%0.89771%0.705SS**  trans-117.7115.7143.1179.2-175.480.400109.5
303P36.9Very low36.7Very low91 Ų91136.3 Ų136.359%0.59173%0.728SS**  trans-101.8134.6163-0.621.5000111.7D301D301-P303 WeakPolarHBondContact OD1-CD 3.32Å; D301-P303 VanDerWaalsContact OD1-CG 3.3Å; D301-P303 WeakPolarHBondContact OD1-CG 3.3Å
304A31.1Very low36.1Very low88 Ų88136.7 Ų136.773%0.72774%0.738SS**  trans30.9141.313800000120.3
305F29.6Very low35.1Very low164 Ų164132.4 Ų132.472%0.71974%0.742SS**  cis-172.8140.829.7-153.4-136000111.4
306Q33.3Very low34.3Very low129 Ų129134.7 Ų134.760%0.60375%0.753SS**  trans57.8152.2140.8-73.4-160.1-4.700121.8
307Q33.8Very low33.6Very low135 Ų135136.3 Ų136.363%0.63176%0.762SS**  cis-161.7166-5.4-133.4-173.8500113.3
308L33.8Very low33Very low133 Ų133132 Ų13270%0.69676%0.759SS**  trans68.3155.3154.8-62.9167.2000117.5
309V31Very low32.3Very low131 Ų131134 Ų13479%0.79477%0.765SS**  cis-134.1165.56.1-134.40000112.5
310S29.5Very low31.9Very low106 Ų106131.3 Ų131.374%0.74176%0.758SS**  trans-64.5157-178.1-36.20000117
311F24.9Very low31.5Very low209 Ų209129.4 Ų129.492%0.91776%0.758SS**  -149162.3126.949.2-93.3000110.7
312S31.6Very low31.5Very low92 Ų92126 Ų12664%0.64376%0.756SS**  trans-124.3170.5-168.3520000112.5
313E31Very low31.4Very low178 Ų178122.5 Ų122.583%0.83275%0.753SS**  trans66.3158.2168.5-70.5171.489.600116.2
314S28.5Very low31.4Very low114 Ų114125.4 Ų125.480%0.79776%0.763SS**  cis-155.8164.9-2148.90000108.4
315G28.2Very low31.6Very low79 Ų79127.4 Ų127.481%0.81477%0.767SS**  trans166.385.2176.400000115.8
316S31.2Very low31.8Very low115 Ų115126 Ų12680%0.80477%0.772SS**  trans-95.5153.6164.9-660000111
317L31Very low32Very low184 Ų184125.2 Ų125.296%0.96378%0.78SS**  trans147.7146137.7-79.9163.4000111.6
318G30.1Very low31.9Very low63 Ų63127.4 Ų127.465%0.64980%0.795SS**  trans140.352.7158.500000121.1
319N30.8Very low32Very low157 Ų157126.2 Ų126.284%0.8480%0.798SS**  trans63.2165.4144.5-58.58000120.1
320S32.7Very low32.2Very low95 Ų95124.3 Ų124.366%0.66479%0.79SS**  cis-171.6145.2-40.459.40000111.9
321S32.4Very low32.7Very low123 Ų123127.7 Ų127.786%0.8680%0.795SS**  trans78140149.8-53.40000122.5
322G31.6Very low33.3Very low67 Ų67125.5 Ų125.569%0.69179%0.792SS**  trans98.291.2156.100000115.8
323S37.2Very low34.1Very low119 Ų119127 Ų12783%0.83280%0.799SS**  93.6139.557.871.80000114.2
324D36.5Very low34.4Very low152 Ų152126 Ų12681%0.81380%0.8SS**  trans-74.1161.7-161.3-44.9-106.3000116.5
325V34.2Very low35.2Very low131 Ų131125.5 Ų125.579%0.79479%0.792SS**  -170.6144.9117.1-940000114.9
326T34.3Very low36.3Very low135 Ų135127.7 Ų127.783%0.82879%0.792SS**  trans64129.1150.350.20000122.3
327S37Very low36.7Very low111 Ų111128.8 Ų128.878%0.77679%0.789SS**  trans-87.7153.6169.7-370000112.9
328L33.1Very low37.3Very low181 Ų181125.8 Ų125.895%0.94878%0.783SS**  trans-137.1154.9144.4-79.1-177.5000109.7
329S35Very low38Very low108 Ų108130.9 Ų130.976%0.75579%0.792SS**  trans-149.5175-177.9-1720000108.9
330S36.3Very low38.8Very low91 Ų91130.1 Ų130.164%0.63679%0.792SS**  trans71.9151.7175.4-58.20000115.5
331Q38.1Very low39.8Very low177 Ų177130.7 Ų130.783%0.82779%0.794SS**  cis-157.8167.8-11.2-116.3156.31200110.4
332L39.4Very low40.4Very low163 Ų163130.4 Ų130.485%0.85379%0.792SS**  trans-79.5153.8166.1-66.6165.4000111
333P48.5Very low41.9Very low123 Ų123133.2 Ų133.280%0.79980%0.798SS**  trans-96.2154.4154.335.7-29.5000111.9
334D36.8Very low42.8Very low158 Ų158133.2 Ų133.285%0.84579%0.793SS**  trans-93176-167.6-100.6-64.2000116.3
335T44Very low43.7Very low103 Ų103132.5 Ų132.563%0.63279%0.789SS**  trans-65.4176.7178670000114.8
336P52.8Low44.6Very low125 Ų125136.7 Ų136.781%0.81282%0.815SS**  -136.5160.4101.838.1-28.5000115.7
337N39.7Very low45.1Very low139 Ų139136.8 Ų136.874%0.74381%0.814SS**  trans-77.2164.3178.5-66.4-74.7000113.7
338S42.2Very low45.6Very low121 Ų121138.1 Ų138.185%0.84682%0.816SS**  trans-140.9132.8147.6-170.90000110.1
339M46.4Very low46.3Very low170 Ų170135.7 Ų135.784%0.83781%0.809SS**  trans-129.1131.9-179.6-60.4173.379.200109.5
340V46.1Very low46.9Very low140 Ų140137.4 Ų137.485%0.84881%0.812SS**  trans-142.2132161.9-175.60000108.2
341P54.5Low47.6Very low107 Ų107140.3 Ų140.370%0.69582%0.823SS**  trans-113.1163.1-171.940.6-33.9000115.4
342S44Very low48.2Very low118 Ų118137.8 Ų137.883%0.82582%0.823SS**  trans68.5169.5148.6-74.50000117.7
343P62.9Low48.9Very low125 Ų125136 Ų13681%0.81282%0.821SS**  cis-126.3-170.410.944.1-28.9000116.4
344V57.2Low48.9Very low119 Ų119137 Ų13772%0.72182%0.822SS**  trans-108.5-178.6173.958.80000109.5
345D55.3Low49.9Very low138 Ų138135.3 Ų135.374%0.73882%0.821SS**  trans76.9101.1171.5-58-44.2000118.4
346T53.8Low50.4Low218 Ų218138.2 Ų138.2100%1.33784%0.838SS**  -150.70108-560000109

Retrieved 346 of 346 residues in 224.2 ms (Link to these results)

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