A0A096NXB3_PAPAN Loading...

Dehydrogenase/reductase SDR family member 1

AlphaFold DB (A0A2K5WGG5), UniProt , Accession A0A096NXB3, Species PAPAN (Papio anubis, Olive baboon), Gene DHRS1, Length 313 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
1M52.1Low90.3Very high245 Ų24568 Ų68100%1.20741%0.406SS*.  0140.40-74-176-90.500108.3
2A72.6Confident91Very high89 Ų8962.3 Ų62.374%0.73637%0.372SS*.  trans-63.4142.8176.400000110.1
3A87.1Confident91.6Very high41 Ų4157.5 Ų57.534%0.33934%0.343SS..  trans-62.4130.6177.600000109.4M5 K6 A30A3-M5 PolarHBondContact O-N 3.09Å; A3-M5 VanDerWaalsContact O-N 3.17Å; A3-K6 HydrophobicContact CB-CB 4.38Å; A3-K6 VanDerWaalsContact O-CB 3.26Å; A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 3.19Å; A3-A30 CarbonylContact C-O 3.59Å; A3-A30 VanDerWaalsContact CB-O 3.23Å; A3-A30 WeakPolarHBondContact CB-O 3.42Å
4P94.7Very high91.9Very high88 Ų8855 Ų5557%0.57134%0.335SS*.THydrogen-bonded Turntrans-68.4-20.2-163.225.7-34.8000114.4A30 T241P4-A30 WeakPolarHBondContact CD-O 3.41Å; P4-A30 HydrophobicContact CG-CB 4.13Å; P4-T241 HydrophobicContact CB-CG2 4.18Å
5M97.8Very high92.2Very high1 Ų151.3 Ų51.31%0.00531%0.313CS..THydrogen-bonded Turntrans-109.118.4175.8-68-67.1-64.700112.3A3 G7 K8 L27 A30 G31 A32 V88 V237 A240 T241A3-M5 PolarHBondContact O-N 3.09Å; A3-M5 VanDerWaalsContact O-N 3.17Å; M5-G7 PolarHBondContact O-N 2.79Å; M5-K8 HydrophobicContact CB-CB 4.28Å; M5-K8 HydrophobicContact CB-CG 4.28Å; M5-K8 HydrophobicContact CE-CB 3.42Å; M5-K8 VanDerWaalsContact CE-CB 3.42Å; M5-K8 HydrophobicContact CE-CD 4.47Å; M5-K8 HydrophobicContact CE-CG 3.66Å; M5-K8 WeakPolarHBondContact O-CB 3.32Å; M5-K8 WeakPolarHBondContact O-CG 3.32Å; M5-K8 PolarHBondContact O-N 2.97Å; M5-K8 HydrophobicContact SD-CB 4.38Å; M5-K8 HydrophobicContact SD-CG 4.02Å; M5-L27 HydrophobicContact CE-CD2 4.43Å; M5-A30 WeakPolarHBondContact CA-O 3.36Å; M5-A30 HydrophobicContact CB-CB 3.77Å; M5-A30 WeakPolarHBondContact CB-O 3.25Å; M5-A30 HydrophobicContact CG-CB 3.69Å; M5-A30 PolarHBondContact N-O 2.79Å; M5-G31 CarbonylContact O-C 3.48Å; M5-A32 HydrophobicContact CB-CB 4Å; M5-A32 WeakPolarHBondContact O-CA 3.35Å; M5-A32 PolarHBondContact O-N 3.21Å; M5-V88 HydrophobicContact CE-CG2 3.99Å; M5-V237 HydrophobicContact CG-CG1 4.41Å; M5-A240 HydrophobicContact CE-CB 3.86Å; M5-A240 HydrophobicContact SD-CB 3.79Å; M5-T241 HydrophobicContact CG-CG2 4.06Å; M5-T241 HydrophobicContact SD-CG2 3.55Å; M5-T241 VanDerWaalsContact SD-CG2 3.55Å
6K97.3Very high92.3Very high164 Ų16449.8 Ų49.871%0.71330%0.304SS*.THydrogen-bonded Turntrans-59.6129.2178.5-173.1175.5-180-179.70110.8A3 K8 G31A3-K6 HydrophobicContact CB-CB 4.38Å; A3-K6 VanDerWaalsContact O-CB 3.26Å; A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 3.19Å; K6-K8 PolarHBondContact O-N 3.28Å; K6-G31 WeakPolarHBondContact CA-O 3.4Å
7G96.6Very high92.3Very high61 Ų6154 Ų5463%0.62931%0.314SS*.THydrogen-bonded Turntrans76.310.8-178.900000114.2M5M5-G7 PolarHBondContact O-N 2.79Å
8K98.4Very high92.3Very high56 Ų5651.3 Ų51.324%0.24330%0.299CS..  trans-93.6144.8174.2-61.1-68.2-174-178.50111.4M5 K6 A32 T33 D87M5-K8 HydrophobicContact CB-CB 4.28Å; M5-K8 HydrophobicContact CB-CG 4.28Å; M5-K8 HydrophobicContact CE-CB 3.42Å; M5-K8 VanDerWaalsContact CE-CB 3.42Å; M5-K8 HydrophobicContact CE-CD 4.47Å; M5-K8 HydrophobicContact CE-CG 3.66Å; M5-K8 WeakPolarHBondContact O-CB 3.32Å; M5-K8 WeakPolarHBondContact O-CG 3.32Å; M5-K8 PolarHBondContact O-N 2.97Å; M5-K8 HydrophobicContact SD-CB 4.38Å; M5-K8 HydrophobicContact SD-CG 4.02Å; K6-K8 PolarHBondContact O-N 3.28Å; K8-A32 WeakPolarHBondContact O-CA 3.34Å; K8-T33 PolarHBondContact O-N 3.37Å; K8-D87 WeakPolarHBondContact CA-OD2 3.4Å; K8-D87 HydrophobicContact CB-CB 4.48Å; K8-D87 WeakPolarHBondContact CB-OD2 3.39Å; K8-D87 HydrophobicContact CD-CB 4.06Å; K8-D87 WeakPolarHBondContact CD-OD1 3.27Å; K8-D87 WeakPolarHBondContact CD-OD2 3.35Å; K8-D87 IonicContact NZ-OD1 2.8Å; K8-D87 PolarHBondContact NZ-OD1 2.92Å
9V98.8Very high92.4Very high3 Ų350.1 Ų50.12%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-110.5127.5-179.3-179.70000109.8T33 Y35 V78 Q82 H85 L86 D87 V88V9-T33 CarbonylContact C-O 3.11Å; V9-T33 WeakPolarHBondContact CA-O 3.28Å; V9-Y35 HydrophobicContact CG1-CD2 4.22Å; V9-Y35 HydrophobicContact CG1-CE2 4.02Å; V9-V78 HydrophobicContact CG1-CG1 4.09Å; V9-Q82 HydrophobicContact CB-CG 4.47Å; V9-Q82 HydrophobicContact CG1-CB 4.35Å; V9-Q82 HydrophobicContact CG1-CG 3.81Å; V9-Q82 HydrophobicContact CG2-CB 3.93Å; V9-Q82 HydrophobicContact CG2-CG 3.79Å; V9-H85 WeakPolarHBondContact CB-O 3.44Å; V9-H85 WeakPolarHBondContact CG1-O 3.47Å; V9-L86 HydrophobicContact CG1-CD1 4.17Å; V9-D87 PolarHBondContact N-OD2 3.4Å; V9-D87 PolarHBondContact O-N 3.35Å; V9-V88 PolarHBondContact O-N 3.49Å; V9-V88 VanDerWaalsContact O-N 3.12Å
10C98.9Very high92.6Very high0 Ų047.6 Ų47.60%028%0.276CS..EExtended strand (participates in β ladder)trans-128.2146-176.8-53.10000111.2L27 T33 V34 Y35 V88C10-L27 HydrophobicContact CB-CD1 3.99Å; C10-T33 PolarHBondContact N-O 3.22Å; C10-V34 HydrophobicContact CB-CG1 4.31Å; C10-V34 HydrophobicContact CB-CG2 4.24Å; C10-V34 CarbonylContact O-C 3.56Å; C10-V34 WeakPolarHBondContact O-CA 3.47Å; C10-Y35 PolarHBondContact O-N 3.47Å; C10-V88 CarbonylContact C-O 3.48Å; C10-V88 VanDerWaalsContact CA-O 3.23Å; C10-V88 WeakPolarHBondContact CA-O 3.45Å; C10-V88 HydrophobicContact CB-CB 4.17Å
11V98.9Very high92.8Very high0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-120128.2167.9175.50000108.4Y35 L74 F75 V78 L86 V88 L89 V90V11-Y35 CarbonylContact C-O 3.54Å; V11-Y35 WeakPolarHBondContact CA-O 3.49Å; V11-L74 HydrophobicContact CG1-CD2 4.2Å; V11-F75 HydrophobicContact CG1-CZ 4.38Å; V11-F75 HydrophobicContact CG2-CE1 4.22Å; V11-V78 HydrophobicContact CG2-CG2 3.89Å; V11-L86 HydrophobicContact CB-CD1 4.38Å; V11-L86 HydrophobicContact CG2-CD1 3.7Å; V11-V88 PolarHBondContact N-O 3.48Å; V11-L89 HydrophobicContact CB-CD1 3.92Å; V11-L89 HydrophobicContact CG1-CD1 3.84Å; V11-L89 CarbonylContact O-C 3.49Å; V11-L89 WeakPolarHBondContact O-CA 3.41Å; V11-V90 PolarHBondContact O-N 2.95Å
12V98.9Very high95Very high0 Ų036.9 Ų36.90%022%0.218CC..EExtended strand (participates in β ladder)trans-124.9115.3176.5-173.20000109.7A15 I23 L27 V34 Y35 T37 V90V12-A15 HydrophobicContact CB-CB 4.17Å; V12-A15 HydrophobicContact CG1-CB 3.89Å; V12-I23 HydrophobicContact CG1-CB 4.42Å; V12-I23 HydrophobicContact CG1-CG2 4.3Å; V12-I23 HydrophobicContact CG2-CG2 4.11Å; V12-L27 HydrophobicContact CG2-CD1 3.71Å; V12-V34 HydrophobicContact CG2-CG1 3.87Å; V12-Y35 PolarHBondContact N-O 3.47Å; V12-T37 PolarHBondContact O-N 3.08Å; V12-V90 HydrophobicContact CB-CB 4.44Å; V12-V90 HydrophobicContact CG1-CB 4.14Å; V12-V90 HydrophobicContact CG1-CG1 4.34Å; V12-V90 HydrophobicContact CG2-CB 4.22Å; V12-V90 HydrophobicContact CG2-CG2 4.22Å
13T98.6Very high96.2Very high0 Ų032.6 Ų32.60%018%0.183CC..THydrogen-bonded Turntrans-84.7143.3-178.767.50000112.2T37 V90 N92 A93T13-T37 VanDerWaalsContact CA-OG1 3.31Å; T13-T37 WeakPolarHBondContact CA-OG1 3.41Å; T13-V90 PolarHBondContact N-O 3.11Å; T13-V90 PolarHBondContact OG1-O 2.78Å; T13-N92 WeakPolarHBondContact O-CB 3.38Å; T13-N92 PolarHBondContact O-ND2 3.23Å; T13-N92 PolarHBondContact OG1-N 2.93Å; T13-A93 PolarHBondContact O-N 3.01Å; T13-A93 PolarHBondContact OG1-N 2.91Å; T13-A93 VanDerWaalsContact OG1-N 3.09Å
14G95.9Very high96.7Very high22 Ų2230.9 Ų30.923%0.22717%0.168CC..THydrogen-bonded Turntrans62.242.7-179.300000113.4T37 N92G14-T37 CarbonylContact C-O 3.54Å; G14-T37 VanDerWaalsContact CA-O 3.27Å; G14-T37 WeakPolarHBondContact CA-O 3.39Å; G14-T37 PolarHBondContact N-O 2.9Å; G14-N92 PolarHBondContact O-ND2 3.26Å; G14-N92 VanDerWaalsContact O-ND2 3.1Å
15A96.6Very high96.9Very high0 Ų027 Ų270%014%0.143CC..THydrogen-bonded Turntrans-94.19.3-172.800000114.4V12 R17 R21 A24 I36 T37V12-A15 HydrophobicContact CB-CB 4.17Å; V12-A15 HydrophobicContact CG1-CB 3.89Å; A15-R17 PolarHBondContact O-N 3.13Å; A15-R21 WeakPolarHBondContact O-CA 3.28Å; A15-R21 WeakPolarHBondContact O-CB 3.41Å; A15-A24 HydrophobicContact CB-CB 4.35Å; A15-I36 HydrophobicContact CB-CB 3.66Å; A15-I36 HydrophobicContact CB-CG2 3.7Å; A15-T37 PolarHBondContact N-O 3.31Å
16S93.3Very high96.9Very high26 Ų2627.6 Ų27.618%0.18215%0.146CC..THydrogen-bonded Turntrans-65.2-23.6174.4-51.90000113.8T43 L44S16-T43 PolarHBondContact OG-OG1 2.66Å; S16-L44 VanDerWaalsContact OG-CD2 3.26Å; S16-L44 WeakPolarHBondContact OG-CD2 3.33Å
17R91.8Very high97Very high122 Ų12219.8 Ų19.846%0.4611%0.112SC..SBendtrans-158175.5-17769.7-178.582.6-170.85112A15 R21A15-R17 PolarHBondContact O-N 3.13Å; R17-R21 PolarHBondContact O-N 3.09Å
18G92.3Very high97.1Very high5 Ų516.9 Ų16.95%0.0528%0.082CC..Hα-helixtrans60.1-142.7167.400000114.5G20 R21 G22 E199 T229G18-G20 PolarHBondContact O-N 3.49Å; G18-R21 PolarHBondContact O-N 3.06Å; G18-G22 PolarHBondContact O-N 3.24Å; G18-E199 VanDerWaalsContact CA-OE2 3.27Å; G18-E199 WeakPolarHBondContact CA-OE2 3.22Å; G18-E199 PolarHBondContact N-OE1 3.44Å; G18-E199 PolarHBondContact N-OE2 3.2Å; G18-T229 WeakPolarHBondContact O-CB 3.25Å; G18-T229 WeakPolarHBondContact O-CG2 3.39Å
19I94.7Very high97Very high28 Ų2819.9 Ų19.914%0.14410%0.095CC..Hα-helixtrans-59.2-46.4-176.7-66.7162.6000111.2R21 G22 I23 I149 P193 V196 T198I19-R21 VanDerWaalsContact C-N 3.33Å; I19-R21 PolarHBondContact O-N 3.5Å; I19-G22 PolarHBondContact O-N 3.05Å; I19-G22 VanDerWaalsContact O-N 3.17Å; I19-I23 HydrophobicContact CG2-CD1 3.63Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.44Å; I19-I23 PolarHBondContact O-N 2.8Å; I19-I149 HydrophobicContact CD1-CG2 4.48Å; I19-I149 HydrophobicContact CG2-CD1 4.43Å; I19-I149 HydrophobicContact CG2-CG1 4.44Å; I19-P193 HydrophobicContact CD1-CB 4.38Å; I19-P193 HydrophobicContact CD1-CG 3.87Å; I19-V196 HydrophobicContact CD1-CB 4.16Å; I19-V196 HydrophobicContact CD1-CG1 4.47Å; I19-V196 HydrophobicContact CD1-CG2 3.88Å; I19-V196 HydrophobicContact CG1-CB 4.06Å; I19-V196 HydrophobicContact CG1-CG1 3.82Å; I19-V196 HydrophobicContact CG1-CG2 3.96Å; I19-T198 HydrophobicContact CG1-CG2 4.33Å
20G96.9Very high97Very high0 Ų020.1 Ų20.10%010%0.097CC..Hα-helixtrans-57.9-43.8178.500000112.9G18 I23 A24 N92G18-G20 PolarHBondContact O-N 3.49Å; G20-I23 PolarHBondContact O-N 3.1Å; G20-A24 PolarHBondContact O-N 3.28Å; G20-N92 WeakPolarHBondContact CA-ND2 3.33Å; G20-N92 PolarHBondContact N-ND2 2.76Å; G20-N92 PolarHBondContact N-OD1 3.06Å
21R96.9Very high97Very high68 Ų6820.9 Ų20.926%0.25711%0.105SC..Hα-helixtrans-60.8-50.5174180173.7162.8-131.73.9111A15 R17 G18 I19 I23 A24 L25 A47 E50 E199A15-R21 WeakPolarHBondContact O-CA 3.28Å; A15-R21 WeakPolarHBondContact O-CB 3.41Å; R17-R21 PolarHBondContact O-N 3.09Å; G18-R21 PolarHBondContact O-N 3.06Å; I19-R21 VanDerWaalsContact C-N 3.33Å; I19-R21 PolarHBondContact O-N 3.5Å; R21-I23 VanDerWaalsContact C-N 3.25Å; R21-I23 PolarHBondContact O-N 3.24Å; R21-A24 WeakPolarHBondContact O-CB 3.39Å; R21-A24 PolarHBondContact O-N 3.35Å; R21-A24 VanDerWaalsContact O-N 3.08Å; R21-L25 HydrophobicContact CG-CD1 4.43Å; R21-L25 HydrophobicContact CG-CG 4.39Å; R21-L25 WeakPolarHBondContact O-CG 3.49Å; R21-L25 PolarHBondContact O-N 2.77Å; R21-A47 HydrophobicContact CG-CB 4.4Å; R21-E50 IonicContact CZ-OE1 3.18Å; R21-E50 IonicContact CZ-OE2 3.25Å; R21-E50 IonicContact NE-OE2 2.61Å; R21-E50 PolarHBondContact NE-OE2 2.54Å; R21-E50 IonicContact NH2-OE1 3.78Å; R21-E50 PolarHBondContact NH2-OE1 3.24Å; R21-E50 IonicContact NH2-OE2 3.07Å; R21-E50 PolarHBondContact NH2-OE2 2.9Å; R21-E199 IonicContact NH1-OE1 2.76Å; R21-E199 PolarHBondContact NH1-OE1 2.94Å; R21-E199 VanDerWaalsContact NH1-OE1 3.16Å
22G97Very high96.9Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-57.4-36.5178.300000113.6G18 I19 Q26G18-G22 PolarHBondContact O-N 3.24Å; I19-G22 PolarHBondContact O-N 3.05Å; I19-G22 VanDerWaalsContact O-N 3.17Å; G22-Q26 WeakPolarHBondContact O-CG 3.48Å; G22-Q26 PolarHBondContact O-N 3.17Å
23I98.5Very high96.9Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-67.4-46.2174.2-66.4167.5000111.5V12 I19 G20 R21 L25 Q26 L27 V90 I149 V236V12-I23 HydrophobicContact CG1-CB 4.42Å; V12-I23 HydrophobicContact CG1-CG2 4.3Å; V12-I23 HydrophobicContact CG2-CG2 4.11Å; I19-I23 HydrophobicContact CG2-CD1 3.63Å; I19-I23 HydrophobicContact CG2-CG1 4.29Å; I19-I23 WeakPolarHBondContact O-CG1 3.44Å; I19-I23 PolarHBondContact O-N 2.8Å; G20-I23 PolarHBondContact O-N 3.1Å; R21-I23 VanDerWaalsContact C-N 3.25Å; R21-I23 PolarHBondContact O-N 3.24Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.33Å; I23-Q26 PolarHBondContact O-N 2.9Å; I23-L27 HydrophobicContact CG2-CD1 3.73Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.09Å; I23-V90 HydrophobicContact CD1-CG1 3.87Å; I23-V90 HydrophobicContact CG2-CG1 4.39Å; I23-V90 HydrophobicContact CG2-CG2 4.09Å; I23-I149 HydrophobicContact CD1-CD1 3.97Å; I23-V236 HydrophobicContact CD1-CG2 4.13Å; I23-V236 HydrophobicContact CG1-CG2 4.24Å; I23-V236 HydrophobicContact CG2-CB 4.18Å; I23-V236 HydrophobicContact CG2-CG1 4.19Å; I23-V236 HydrophobicContact CG2-CG2 4.1Å
24A98.4Very high96.9Very high4 Ų422.1 Ų22.13%0.03311%0.112CC..Hα-helixtrans-60.1-42.5177.200000112.3A15 G20 R21 Q26 L27 C28 V34 I36A15-A24 HydrophobicContact CB-CB 4.35Å; G20-A24 PolarHBondContact O-N 3.28Å; R21-A24 WeakPolarHBondContact O-CB 3.39Å; R21-A24 PolarHBondContact O-N 3.35Å; R21-A24 VanDerWaalsContact O-N 3.08Å; A24-Q26 PolarHBondContact O-N 3.32Å; A24-L27 PolarHBondContact O-N 3.38Å; A24-C28 WeakPolarHBondContact O-CB 3.26Å; A24-C28 PolarHBondContact O-N 3.38Å; A24-V34 HydrophobicContact CB-CG1 4.21Å; A24-I36 HydrophobicContact CB-CG2 3.55Å
25L98.1Very high97.1Very high6 Ų621 Ų213%0.03110%0.101CC..Hα-helixtrans-56.7-49.2176-67.3-177.5000111.7R21 I23 C28 K29 E50 A51 L54 E230R21-L25 HydrophobicContact CG-CD1 4.43Å; R21-L25 HydrophobicContact CG-CG 4.39Å; R21-L25 WeakPolarHBondContact O-CG 3.49Å; R21-L25 PolarHBondContact O-N 2.77Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.33Å; L25-C28 PolarHBondContact O-N 3.17Å; L25-K29 VanDerWaalsContact O-CB 3.27Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 2.95Å; L25-E50 HydrophobicContact CD2-CB 4.13Å; L25-E50 HydrophobicContact CD2-CG 3.73Å; L25-A51 VanDerWaalsContact CD2-CA 3.45Å; L25-A51 HydrophobicContact CD2-CB 3.77Å; L25-L54 HydrophobicContact CB-CD1 3.81Å; L25-L54 HydrophobicContact CD2-CD1 3.99Å; L25-L54 HydrophobicContact CG-CD1 4.35Å; L25-E230 HydrophobicContact CD1-CG 4.29Å
26Q98.2Very high97.2Very high15 Ų1521 Ų217%0.0710%0.101CC..Hα-helixtrans-70.9-35.4-178-67.2-61.1-58.400113G22 I23 A24 K29 A30 E230 G233 K234 V237G22-Q26 WeakPolarHBondContact O-CG 3.48Å; G22-Q26 PolarHBondContact O-N 3.17Å; I23-Q26 PolarHBondContact O-N 2.9Å; A24-Q26 PolarHBondContact O-N 3.32Å; Q26-K29 PolarHBondContact O-N 3.43Å; Q26-A30 WeakPolarHBondContact O-CB 3.43Å; Q26-A30 PolarHBondContact O-N 2.74Å; Q26-E230 HydrophobicContact CG-CB 4.15Å; Q26-E230 WeakPolarHBondContact CG-O 3.38Å; Q26-E230 PolarHBondContact NE2-OE2 3.1Å; Q26-G233 VanDerWaalsContact CB-C 3.48Å; Q26-K234 HydrophobicContact CG-CG 4.28Å; Q26-V237 HydrophobicContact CB-CG2 4.11Å
27L98.6Very high97.4Very high0 Ų019.9 Ų19.90%09%0.093CC..Hα-helixtrans-65.4-43.9174.5-72.9168.8000111.7M5 C10 V12 I23 A24 A30 G31 A32 V34 V236 V237M5-L27 HydrophobicContact CE-CD2 4.43Å; C10-L27 HydrophobicContact CB-CD1 3.99Å; V12-L27 HydrophobicContact CG2-CD1 3.71Å; I23-L27 HydrophobicContact CG2-CD1 3.73Å; I23-L27 HydrophobicContact CG2-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.09Å; A24-L27 PolarHBondContact O-N 3.38Å; L27-A30 WeakPolarHBondContact O-CB 3.36Å; L27-A30 PolarHBondContact O-N 3.02Å; L27-G31 PolarHBondContact O-N 2.85Å; L27-A32 HydrophobicContact CB-CB 4.43Å; L27-A32 WeakPolarHBondContact O-CB 3.48Å; L27-A32 PolarHBondContact O-N 3.04Å; L27-A32 VanDerWaalsContact O-N 3.1Å; L27-V34 HydrophobicContact CB-CG2 3.61Å; L27-V236 HydrophobicContact CD1-CG1 4.42Å; L27-V236 HydrophobicContact CD2-CG1 4.23Å; L27-V237 HydrophobicContact CD2-CG2 3.92Å; L27-V237 HydrophobicContact CG-CG2 4.35Å
28C98.3Very high97.7Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-63.1-45.6173.6-77.50000111.6A24 L25 A30 G31 V34 A51 G55 G56A24-C28 WeakPolarHBondContact O-CB 3.26Å; A24-C28 PolarHBondContact O-N 3.38Å; L25-C28 PolarHBondContact O-N 3.17Å; C28-A30 PolarHBondContact O-N 3.06Å; C28-G31 WeakPolarHBondContact O-CA 3.44Å; C28-G31 PolarHBondContact O-N 3.15Å; C28-V34 WeakPolarHBondContact SG-CG2 3.42Å; C28-A51 HydrophobicContact CB-CB 4Å; C28-A51 VanDerWaalsContact CB-O 3.23Å; C28-A51 WeakPolarHBondContact CB-O 3.45Å; C28-G55 WeakPolarHBondContact CB-O 3.3Å; C28-G55 CarbonylContact O-C 3.33Å; C28-G56 PolarHBondContact O-N 2.82Å; C28-G56 VanDerWaalsContact O-N 3.15Å
29K97.9Very high97.8Very high119 Ų11921.3 Ų21.352%0.51710%0.1SC..Hα-helixtrans-56.8-34174.2-171.6176.1-177.5173.20112.6L25 Q26 G31 L54L25-K29 VanDerWaalsContact O-CB 3.27Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 2.95Å; Q26-K29 PolarHBondContact O-N 3.43Å; K29-G31 PolarHBondContact O-N 3.19Å; K29-L54 HydrophobicContact CB-CB 3.92Å; K29-L54 HydrophobicContact CB-CD1 4.44Å; K29-L54 HydrophobicContact CG-CB 4.3Å
30A98.1Very high97.9Very high8 Ų824.9 Ų24.97%0.06612%0.116CC..THydrogen-bonded Turntrans-76.6-5.2174.500000113.8A3 P4 M5 Q26 L27 C28 V237A3-A30 CarbonylContact C-O 3.59Å; A3-A30 VanDerWaalsContact CB-O 3.23Å; A3-A30 WeakPolarHBondContact CB-O 3.42Å; P4-A30 WeakPolarHBondContact CD-O 3.41Å; P4-A30 HydrophobicContact CG-CB 4.13Å; M5-A30 WeakPolarHBondContact CA-O 3.36Å; M5-A30 HydrophobicContact CB-CB 3.77Å; M5-A30 WeakPolarHBondContact CB-O 3.25Å; M5-A30 HydrophobicContact CG-CB 3.69Å; M5-A30 PolarHBondContact N-O 2.79Å; Q26-A30 WeakPolarHBondContact O-CB 3.43Å; Q26-A30 PolarHBondContact O-N 2.74Å; L27-A30 WeakPolarHBondContact O-CB 3.36Å; L27-A30 PolarHBondContact O-N 3.02Å; C28-A30 PolarHBondContact O-N 3.06Å; A30-V237 HydrophobicContact CB-CG1 3.85Å; A30-V237 HydrophobicContact CB-CG2 3.99Å
31G98.1Very high97.9Very high16 Ų1627.4 Ų27.417%0.16513%0.129CC..THydrogen-bonded Turntrans98.69.7174.200000115.7M5 K6 L27 C28 K29M5-G31 CarbonylContact O-C 3.48Å; K6-G31 WeakPolarHBondContact CA-O 3.4Å; L27-G31 PolarHBondContact O-N 2.85Å; C28-G31 WeakPolarHBondContact O-CA 3.44Å; C28-G31 PolarHBondContact O-N 3.15Å; K29-G31 PolarHBondContact O-N 3.19Å
32A98.6Very high97.9Very high0 Ų029.5 Ų29.50%015%0.145CC..  trans-74.6159.2-17900000113.1M5 K8 L27 V34 G56 R57M5-A32 HydrophobicContact CB-CB 4Å; M5-A32 WeakPolarHBondContact O-CA 3.35Å; M5-A32 PolarHBondContact O-N 3.21Å; K8-A32 WeakPolarHBondContact O-CA 3.34Å; L27-A32 HydrophobicContact CB-CB 4.43Å; L27-A32 WeakPolarHBondContact O-CB 3.48Å; L27-A32 PolarHBondContact O-N 3.04Å; L27-A32 VanDerWaalsContact O-N 3.1Å; A32-V34 HydrophobicContact CB-CG2 3.87Å; A32-G56 VanDerWaalsContact O-CA 3.3Å; A32-G56 WeakPolarHBondContact O-CA 3.25Å; A32-R57 PolarHBondContact O-N 2.89Å
33T98.8Very high97.8Very high25 Ų2532 Ų3215%0.15316%0.161CC..EExtended strand (participates in β ladder)trans-85.2120.8155.9-620000108.1K8 V9 C10 Y35 R57 V59K8-T33 PolarHBondContact O-N 3.37Å; V9-T33 CarbonylContact C-O 3.11Å; V9-T33 WeakPolarHBondContact CA-O 3.28Å; C10-T33 PolarHBondContact N-O 3.22Å; T33-Y35 HydrophobicContact CG2-CE2 4Å; T33-R57 CarbonylContact C-O 3.56Å; T33-R57 VanDerWaalsContact CA-O 3.31Å; T33-R57 WeakPolarHBondContact CA-O 3.21Å; T33-R57 HydrophobicContact CG2-CB 4.41Å; T33-V59 HydrophobicContact CG2-CG2 4.44Å
34V98.8Very high97.8Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-122.5112-173.3-170.30000110.5C10 V12 A24 L27 C28 A32 I36 R57 C58 V59C10-V34 HydrophobicContact CB-CG1 4.31Å; C10-V34 HydrophobicContact CB-CG2 4.24Å; C10-V34 CarbonylContact O-C 3.56Å; C10-V34 WeakPolarHBondContact O-CA 3.47Å; V12-V34 HydrophobicContact CG2-CG1 3.87Å; A24-V34 HydrophobicContact CB-CG1 4.21Å; L27-V34 HydrophobicContact CB-CG2 3.61Å; C28-V34 WeakPolarHBondContact SG-CG2 3.42Å; A32-V34 HydrophobicContact CB-CG2 3.87Å; V34-I36 HydrophobicContact CG1-CG2 3.9Å; V34-R57 PolarHBondContact N-O 3.35Å; V34-C58 CarbonylContact O-C 3.56Å; V34-C58 WeakPolarHBondContact O-CA 3.13Å; V34-V59 PolarHBondContact O-N 3.37Å
35Y98.9Very high97.7Very high0 Ų038.2 Ų38.20%018%0.183CC..EExtended strand (participates in β ladder)trans-78.9120.6166.8-67.8-96.8000108.8V9 C10 V11 V12 T33 V59 V61 V78 E81 Q82V9-Y35 HydrophobicContact CG1-CD2 4.22Å; V9-Y35 HydrophobicContact CG1-CE2 4.02Å; C10-Y35 PolarHBondContact O-N 3.47Å; V11-Y35 CarbonylContact C-O 3.54Å; V11-Y35 WeakPolarHBondContact CA-O 3.49Å; V12-Y35 PolarHBondContact N-O 3.47Å; T33-Y35 HydrophobicContact CG2-CE2 4Å; Y35-V59 WeakPolarHBondContact CA-O 3.47Å; Y35-V59 HydrophobicContact CD1-CB 3.77Å; Y35-V59 HydrophobicContact CD1-CG1 3.81Å; Y35-V59 HydrophobicContact CE1-CB 3.88Å; Y35-V59 HydrophobicContact CE1-CG1 3.69Å; Y35-V59 HydrophobicContact CE1-CG2 4.23Å; Y35-V59 HydrophobicContact CG-CB 4.29Å; Y35-V61 HydrophobicContact CD1-CG2 3.9Å; Y35-V78 HydrophobicContact CD1-CG2 3.88Å; Y35-V78 HydrophobicContact CD2-CG2 3.84Å; Y35-V78 HydrophobicContact CE1-CG2 4.07Å; Y35-V78 HydrophobicContact CE2-CG1 4.38Å; Y35-V78 HydrophobicContact CE2-CG2 4.03Å; Y35-V78 HydrophobicContact CG-CG2 3.78Å; Y35-E81 WeakPolarHBondContact CE1-OE2 3.34Å; Y35-E81 WeakPolarHBondContact OH-CB 3.4Å; Y35-E81 PolarHBondContact OH-OE2 3.35Å; Y35-Q82 HydrophobicContact CE2-CG 3.87Å; Y35-Q82 PolarHBondContact OH-NE2 3.44Å
36I98.8Very high97.7Very high0 Ų042.3 Ų42.30%021%0.208CC..EExtended strand (participates in β ladder)trans-111.2136.5177.560.8167.8000110.3A15 A24 V34 L44 A47 A48 V59 P60 V61A15-I36 HydrophobicContact CB-CB 3.66Å; A15-I36 HydrophobicContact CB-CG2 3.7Å; A24-I36 HydrophobicContact CB-CG2 3.55Å; V34-I36 HydrophobicContact CG1-CG2 3.9Å; I36-L44 HydrophobicContact CB-CD2 4.45Å; I36-L44 HydrophobicContact CD1-CB 4.45Å; I36-L44 HydrophobicContact CD1-CD2 4.05Å; I36-L44 WeakPolarHBondContact CD1-O 3.47Å; I36-L44 HydrophobicContact CG1-CD2 4.09Å; I36-A47 HydrophobicContact CD1-CB 3.97Å; I36-A48 HydrophobicContact CD1-CB 3.91Å; I36-V59 PolarHBondContact N-O 3.43Å; I36-P60 HydrophobicContact CG1-CB 4.28Å; I36-V61 PolarHBondContact O-N 2.88Å
37T98.6Very high97.7Very high2 Ų241.9 Ų41.91%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-120.1153.9-177.785.30000114.2V12 T13 G14 A15 V61 C63 L74V12-T37 PolarHBondContact O-N 3.08Å; T13-T37 VanDerWaalsContact CA-OG1 3.31Å; T13-T37 WeakPolarHBondContact CA-OG1 3.41Å; G14-T37 CarbonylContact C-O 3.54Å; G14-T37 VanDerWaalsContact CA-O 3.27Å; G14-T37 WeakPolarHBondContact CA-O 3.39Å; G14-T37 PolarHBondContact N-O 2.9Å; A15-T37 PolarHBondContact N-O 3.31Å; T37-V61 WeakPolarHBondContact CA-O 3.46Å; T37-C63 HydrophobicContact CG2-CB 4.42Å; T37-L74 HydrophobicContact CG2-CD1 3.76Å; T37-L74 HydrophobicContact CG2-CD2 3.64Å; T37-L74 HydrophobicContact CG2-CG 4.35Å
38G96.8Very high97.6Very high9 Ų942.1 Ų42.19%0.09321%0.209CC..EExtended strand (participates in β ladder)trans176.3176.6179.200000110.2V62 C63G38-V62 WeakPolarHBondContact O-CA 3.42Å; G38-C63 PolarHBondContact O-N 3.32Å
39R94.9Very high97.6Very high148 Ų14847.7 Ų47.756%0.55824%0.235SC*.SBendtrans-86.7-21-174.8-65.5178.8-64.2175.31.3114.3D64R39-D64 HydrophobicContact CG-CB 4.29Å
40H96.2Very high97.6Very high102 Ų10245.2 Ų45.247%0.47223%0.225SC..  trans-121.3114.1-173.9-56-64.3000110.5D42 T43 L44H40-D42 VanDerWaalsContact C-N 3.26Å; H40-D42 PolarHBondContact O-N 3.1Å; H40-T43 HydrophobicContact CB-CG2 4.42Å; H40-T43 PolarHBondContact O-N 3.21Å; H40-T43 PolarHBondContact O-OG1 3.03Å; H40-L44 PolarHBondContact O-N 3.29Å
41L96.8Very high97.5Very high53 Ų5344.8 Ų44.828%0.27722%0.222SC..Hα-helixtrans-59.3-37.5-176.3-175.854.2000112.4T43 L44 R45 P60 V62L41-T43 PolarHBondContact O-N 3.28Å; L41-L44 CarbonylContact O-C 3.6Å; L41-L44 PolarHBondContact O-N 3.2Å; L41-R45 HydrophobicContact CD1-CG 4.16Å; L41-R45 VanDerWaalsContact CD2-CZ 3.5Å; L41-R45 HydrophobicContact CG-CG 4.29Å; L41-R45 WeakPolarHBondContact O-CG 3.27Å; L41-R45 PolarHBondContact O-N 2.84Å; L41-P60 HydrophobicContact CD1-CB 4.29Å; L41-P60 HydrophobicContact CD1-CG 4.49Å; L41-V62 HydrophobicContact CB-CG2 3.7Å; L41-V62 HydrophobicContact CD1-CG2 4.11Å; L41-V62 HydrophobicContact CG-CG2 4.35Å
42D96.6Very high97.4Very high113 Ų11349 Ų4960%0.60424%0.238SC*.Hα-helixtrans-61.3-47.9-176.2-21.4-39.3000110.4H40 L44 R45 V46H40-D42 VanDerWaalsContact C-N 3.26Å; H40-D42 PolarHBondContact O-N 3.1Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.21Å; D42-R45 PolarHBondContact O-N 2.83Å; D42-V46 PolarHBondContact O-N 3.42Å
43T95.8Very high97.3Very high53 Ų5353.3 Ų53.333%0.32527%0.268SS..Hα-helixtrans-66.7-35.3176.563.80000112.5S16 H40 L41 A47S16-T43 PolarHBondContact OG-OG1 2.66Å; H40-T43 HydrophobicContact CB-CG2 4.42Å; H40-T43 PolarHBondContact O-N 3.21Å; H40-T43 PolarHBondContact O-OG1 3.03Å; L41-T43 PolarHBondContact O-N 3.28Å; T43-A47 PolarHBondContact O-N 2.84Å; T43-A47 VanDerWaalsContact O-N 3.17Å
44L97.6Very high97.2Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-68.3-38.7175.4-70.4169.4000111.6S16 I36 H40 L41 D42 V46 A47 A48 P60 V61S16-L44 VanDerWaalsContact OG-CD2 3.26Å; S16-L44 WeakPolarHBondContact OG-CD2 3.33Å; I36-L44 HydrophobicContact CB-CD2 4.45Å; I36-L44 HydrophobicContact CD1-CB 4.45Å; I36-L44 HydrophobicContact CD1-CD2 4.05Å; I36-L44 WeakPolarHBondContact CD1-O 3.47Å; I36-L44 HydrophobicContact CG1-CD2 4.09Å; H40-L44 PolarHBondContact O-N 3.29Å; L41-L44 CarbonylContact O-C 3.6Å; L41-L44 PolarHBondContact O-N 3.2Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.21Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.66Å; L44-A47 PolarHBondContact O-N 3.36Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 2.65Å; L44-P60 HydrophobicContact CB-CB 3.7Å; L44-V61 WeakPolarHBondContact CD1-O 3.45Å
45R98Very high97Very high134 Ų13456.9 Ų56.951%0.50629%0.292SS..Hα-helixtrans-62-41.6177.3-78.2175.1174.4157.7-3.2111.4L41 D42 A48 Q49 P60L41-R45 HydrophobicContact CD1-CG 4.16Å; L41-R45 VanDerWaalsContact CD2-CZ 3.5Å; L41-R45 HydrophobicContact CG-CG 4.29Å; L41-R45 WeakPolarHBondContact O-CG 3.27Å; L41-R45 PolarHBondContact O-N 2.84Å; D42-R45 PolarHBondContact O-N 2.83Å; R45-A48 PolarHBondContact O-N 2.66Å; R45-Q49 WeakPolarHBondContact O-CB 3.46Å; R45-Q49 VanDerWaalsContact O-CG 3.22Å; R45-Q49 WeakPolarHBondContact O-CG 3.34Å; R45-Q49 PolarHBondContact O-N 3.27Å; R45-P60 HydrophobicContact CG-CG 4.38Å
46V97.6Very high96.9Very high92 Ų9258.9 Ų58.956%0.55831%0.313SS*.Hα-helixtrans-61.3-49.5174.7175.80000110.8D42 L44 A48 Q49 E50D42-V46 PolarHBondContact O-N 3.42Å; L44-V46 VanDerWaalsContact C-N 3.33Å; L44-V46 PolarHBondContact O-N 2.66Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 2.63Å; V46-Q49 PolarHBondContact O-N 2.69Å; V46-E50 PolarHBondContact O-N 3.19Å; V46-E50 VanDerWaalsContact O-N 3.11Å
47A96.9Very high96.8Very high5 Ų566.2 Ų66.24%0.04134%0.341CS..Hα-helixtrans-62.1-39.3177.600000112.5R21 I36 T43 L44 A51R21-A47 HydrophobicContact CG-CB 4.4Å; I36-A47 HydrophobicContact CD1-CB 3.97Å; T43-A47 PolarHBondContact O-N 2.84Å; T43-A47 VanDerWaalsContact O-N 3.17Å; L44-A47 PolarHBondContact O-N 3.36Å; A47-A51 WeakPolarHBondContact O-CB 3.25Å; A47-A51 PolarHBondContact O-N 3.28Å
48A98.1Very high96.8Very high5 Ų566.7 Ų66.74%0.04134%0.344CS..Hα-helixtrans-66.3-41.2177.300000112.2I36 L44 R45 V46 A51 Q52 C58 P60I36-A48 HydrophobicContact CD1-CB 3.91Å; L44-A48 VanDerWaalsContact O-CB 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.45Å; L44-A48 PolarHBondContact O-N 2.65Å; R45-A48 PolarHBondContact O-N 2.66Å; V46-A48 VanDerWaalsContact C-N 3.33Å; V46-A48 PolarHBondContact O-N 2.63Å; A48-A51 PolarHBondContact O-N 2.94Å; A48-Q52 WeakPolarHBondContact O-CB 3.19Å; A48-Q52 VanDerWaalsContact O-CG 3.28Å; A48-Q52 WeakPolarHBondContact O-CG 3.13Å; A48-Q52 PolarHBondContact O-N 2.87Å; A48-C58 HydrophobicContact CB-CB 3.95Å; A48-P60 HydrophobicContact CB-CB 4.32Å; A48-P60 HydrophobicContact CB-CG 4.19Å
49Q98Very high96.9Very high118 Ų11867 Ų6755%0.55134%0.344SS*.Hα-helixtrans-63.2-41.3177.8-78.8172.6-1.600112.4R45 V46 Q52 S53R45-Q49 WeakPolarHBondContact O-CB 3.46Å; R45-Q49 VanDerWaalsContact O-CG 3.22Å; R45-Q49 WeakPolarHBondContact O-CG 3.34Å; R45-Q49 PolarHBondContact O-N 3.27Å; V46-Q49 PolarHBondContact O-N 2.69Å; Q49-Q52 WeakPolarHBondContact O-CG 3.19Å; Q49-S53 WeakPolarHBondContact O-CB 3.4Å; Q49-S53 PolarHBondContact O-N 2.88Å
50E97.3Very high97.1Very high66 Ų6662 Ų6231%0.30833%0.33SS..Hα-helixtrans-67.3-47.9173.8-173.7-174.2-148.400111.2R21 L25 V46 Q52 S53R21-E50 IonicContact CZ-OE1 3.18Å; R21-E50 IonicContact CZ-OE2 3.25Å; R21-E50 IonicContact NE-OE2 2.61Å; R21-E50 PolarHBondContact NE-OE2 2.54Å; R21-E50 IonicContact NH2-OE1 3.78Å; R21-E50 PolarHBondContact NH2-OE1 3.24Å; R21-E50 IonicContact NH2-OE2 3.07Å; R21-E50 PolarHBondContact NH2-OE2 2.9Å; L25-E50 HydrophobicContact CD2-CB 4.13Å; L25-E50 HydrophobicContact CD2-CG 3.73Å; V46-E50 PolarHBondContact O-N 3.19Å; V46-E50 VanDerWaalsContact O-N 3.11Å; E50-Q52 PolarHBondContact O-N 3.23Å; E50-S53 WeakPolarHBondContact O-CB 3.34Å; E50-S53 PolarHBondContact O-N 3.32Å; E50-S53 VanDerWaalsContact O-N 3.12Å; E50-S53 PolarHBondContact O-OG 2.8Å
51A97Very high97.2Very high0 Ų057.8 Ų57.80%031%0.312CS..Hα-helixtrans-59.6-47-179.400000112.4L25 C28 A47 A48 S53 L54 C58L25-A51 VanDerWaalsContact CD2-CA 3.45Å; L25-A51 HydrophobicContact CD2-CB 3.77Å; C28-A51 HydrophobicContact CB-CB 4Å; C28-A51 VanDerWaalsContact CB-O 3.23Å; C28-A51 WeakPolarHBondContact CB-O 3.45Å; A47-A51 WeakPolarHBondContact O-CB 3.25Å; A47-A51 PolarHBondContact O-N 3.28Å; A48-A51 PolarHBondContact O-N 2.94Å; A51-S53 PolarHBondContact O-N 3.39Å; A51-L54 WeakPolarHBondContact O-CB 3.44Å; A51-L54 PolarHBondContact O-N 3.33Å; A51-L54 VanDerWaalsContact O-N 3.13Å; A51-C58 HydrophobicContact CB-CB 4.02Å
52Q95.1Very high97.3Very high104 Ų10458.6 Ų58.649%0.48632%0.319SS..Hα-helixtrans-64.2-29.1178.672.9-177.8-1.800112.4A48 Q49 E50 L54 G55 C58A48-Q52 WeakPolarHBondContact O-CB 3.19Å; A48-Q52 VanDerWaalsContact O-CG 3.28Å; A48-Q52 WeakPolarHBondContact O-CG 3.13Å; A48-Q52 PolarHBondContact O-N 2.87Å; Q49-Q52 WeakPolarHBondContact O-CG 3.19Å; E50-Q52 PolarHBondContact O-N 3.23Å; Q52-L54 PolarHBondContact O-N 3.25Å; Q52-G55 WeakPolarHBondContact CA-O 3.41Å; Q52-G55 PolarHBondContact O-N 3.44Å; Q52-C58 HydrophobicContact CB-CB 4.46Å
53S97.1Very high97.4Very high91 Ų9153.4 Ų53.464%0.63629%0.292SS*.Hα-helixtrans-67-22.1178780000112.6Q49 E50 A51Q49-S53 WeakPolarHBondContact O-CB 3.4Å; Q49-S53 PolarHBondContact O-N 2.88Å; E50-S53 WeakPolarHBondContact O-CB 3.34Å; E50-S53 PolarHBondContact O-N 3.32Å; E50-S53 VanDerWaalsContact O-N 3.12Å; E50-S53 PolarHBondContact O-OG 2.8Å; A51-S53 PolarHBondContact O-N 3.39Å
54L95.4Very high97.5Very high71 Ų7152.6 Ų52.637%0.37229%0.285SS..THydrogen-bonded Turntrans-83.4-13.9174.5-58179.1000112.8L25 K29 A51 Q52L25-L54 HydrophobicContact CB-CD1 3.81Å; L25-L54 HydrophobicContact CD2-CD1 3.99Å; L25-L54 HydrophobicContact CG-CD1 4.35Å; K29-L54 HydrophobicContact CB-CB 3.92Å; K29-L54 HydrophobicContact CB-CD1 4.44Å; K29-L54 HydrophobicContact CG-CB 4.3Å; A51-L54 WeakPolarHBondContact O-CB 3.44Å; A51-L54 PolarHBondContact O-N 3.33Å; A51-L54 VanDerWaalsContact O-N 3.13Å; Q52-L54 PolarHBondContact O-N 3.25Å
55G95.4Very high97.4Very high28 Ų2852.8 Ų52.829%0.28929%0.287SS..SBendtrans131.1-173.1-175.700000112.8C28 Q52C28-G55 WeakPolarHBondContact CB-O 3.3Å; C28-G55 CarbonylContact O-C 3.33Å; Q52-G55 WeakPolarHBondContact CA-O 3.41Å; Q52-G55 PolarHBondContact O-N 3.44Å
56G96.4Very high97.4Very high43 Ų4346.9 Ų46.944%0.44327%0.266SS..SBendtrans59.7-155.3177.400000113.3C28 A32C28-G56 PolarHBondContact O-N 2.82Å; C28-G56 VanDerWaalsContact O-N 3.15Å; A32-G56 VanDerWaalsContact O-CA 3.3Å; A32-G56 WeakPolarHBondContact O-CA 3.25Å
57R98.2Very high97.4Very high154 Ų15446.9 Ų46.958%0.58126%0.26SS*.EExtended strand (participates in β ladder)trans-135.1132.5174.5178177.1174.8138.8-3.3108.8A32 T33 V34 V59A32-R57 PolarHBondContact O-N 2.89Å; T33-R57 CarbonylContact C-O 3.56Å; T33-R57 VanDerWaalsContact CA-O 3.31Å; T33-R57 WeakPolarHBondContact CA-O 3.21Å; T33-R57 HydrophobicContact CG2-CB 4.41Å; V34-R57 PolarHBondContact N-O 3.35Å; R57-V59 HydrophobicContact CG-CG2 4.24Å
58C98.6Very high97.5Very high11 Ų1150.2 Ų50.27%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-115127176.1-160.30000110.9V34 A48 A51 Q52V34-C58 CarbonylContact O-C 3.56Å; V34-C58 WeakPolarHBondContact O-CA 3.13Å; A48-C58 HydrophobicContact CB-CB 3.95Å; A51-C58 HydrophobicContact CB-CB 4.02Å; Q52-C58 HydrophobicContact CB-CB 4.46Å
59V98.7Very high97.5Very high17 Ų1754 Ų5410%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-115.9105.5-176.9-174.20000109T33 V34 Y35 I36 R57 V61T33-V59 HydrophobicContact CG2-CG2 4.44Å; V34-V59 PolarHBondContact O-N 3.37Å; Y35-V59 WeakPolarHBondContact CA-O 3.47Å; Y35-V59 HydrophobicContact CD1-CB 3.77Å; Y35-V59 HydrophobicContact CD1-CG1 3.81Å; Y35-V59 HydrophobicContact CE1-CB 3.88Å; Y35-V59 HydrophobicContact CE1-CG1 3.69Å; Y35-V59 HydrophobicContact CE1-CG2 4.23Å; Y35-V59 HydrophobicContact CG-CB 4.29Å; I36-V59 PolarHBondContact N-O 3.43Å; R57-V59 HydrophobicContact CG-CG2 4.24Å; V59-V61 HydrophobicContact CG1-CG2 4.29Å
60P98.6Very high97.5Very high41 Ų4151.7 Ų51.727%0.26629%0.29SS..EExtended strand (participates in β ladder)trans-76.2127.8177.230.2-32.8000111I36 L41 L44 R45 A48I36-P60 HydrophobicContact CG1-CB 4.28Å; L41-P60 HydrophobicContact CD1-CB 4.29Å; L41-P60 HydrophobicContact CD1-CG 4.49Å; L44-P60 HydrophobicContact CB-CB 3.7Å; R45-P60 HydrophobicContact CG-CG 4.38Å; A48-P60 HydrophobicContact CB-CB 4.32Å; A48-P60 HydrophobicContact CB-CG 4.19Å
61V98.7Very high97.6Very high14 Ų1448.5 Ų48.59%0.08528%0.275CS..EExtended strand (participates in β ladder)trans-126.8123.9177.2-175.30000109.5Y35 I36 T37 L44 V59 C63 L74Y35-V61 HydrophobicContact CD1-CG2 3.9Å; I36-V61 PolarHBondContact O-N 2.88Å; T37-V61 WeakPolarHBondContact CA-O 3.46Å; L44-V61 WeakPolarHBondContact CD1-O 3.45Å; V59-V61 HydrophobicContact CG1-CG2 4.29Å; V61-C63 PolarHBondContact O-N 3.05Å; V61-L74 HydrophobicContact CB-CD1 3.86Å; V61-L74 HydrophobicContact CG1-CD1 3.74Å; V61-L74 HydrophobicContact CG2-CD1 4.06Å
62V98.5Very high97.7Very high71 Ų7153.9 Ų53.943%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-72122.4172.4-179.20000108.2G38 L41G38-V62 WeakPolarHBondContact O-CA 3.42Å; L41-V62 HydrophobicContact CB-CG2 3.7Å; L41-V62 HydrophobicContact CD1-CG2 4.11Å; L41-V62 HydrophobicContact CG-CG2 4.35Å
63C98.3Very high97.9Very high4 Ų452.2 Ų52.23%0.02730%0.295CS..  trans-156.4117.7178.4172.40000109.1T37 G38 V61 E70T37-C63 HydrophobicContact CG2-CB 4.42Å; G38-C63 PolarHBondContact O-N 3.32Å; V61-C63 PolarHBondContact O-N 3.05Å; C63-E70 WeakPolarHBondContact CA-OE2 3.49Å
64D97.6Very high97.9Very high35 Ų3547.9 Ų47.919%0.18727%0.265CS..  trans-84105.9161.3-169.2-29.3000109.1R39 S66 Q67 E70R39-D64 HydrophobicContact CG-CB 4.29Å; D64-S66 PolarHBondContact O-N 3.4Å; D64-S66 VanDerWaalsContact OD1-CB 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.36Å; D64-S66 PolarHBondContact OD1-N 3.31Å; D64-S66 PolarHBondContact OD1-OG 2.61Å; D64-S66 PolarHBondContact OD2-OG 3.05Å; D64-Q67 HydrophobicContact CB-CG 4.3Å; D64-Q67 PolarHBondContact O-N 3.44Å; D64-E70 PolarHBondContact N-OE2 2.93Å
65S96.8Very high98.1Very high5 Ų544.8 Ų44.84%0.03525%0.248CC..THydrogen-bonded Turntrans-70.6-1.9-177.763.80000114.2Q67 G126S65-Q67 VanDerWaalsContact C-N 3.27Å; S65-G126 WeakPolarHBondContact O-CA 3.46Å
66S96.5Very high98.3Very high10 Ų1048.3 Ų48.37%0.0726%0.257CS..THydrogen-bonded Turntrans-73.7-20.6165.570.30000112.7D64 R125D64-S66 PolarHBondContact O-N 3.4Å; D64-S66 VanDerWaalsContact OD1-CB 3.25Å; D64-S66 WeakPolarHBondContact OD1-CB 3.36Å; D64-S66 PolarHBondContact OD1-N 3.31Å; D64-S66 PolarHBondContact OD1-OG 2.61Å; D64-S66 PolarHBondContact OD2-OG 3.05Å; S66-R125 PolarHBondContact O-NH1 3.21Å
67Q98.2Very high98.4Very high91 Ų9148.2 Ų48.243%0.42525%0.245SC..SBendtrans-99.7112.5179.9-55.4-54.4-4500110.1D64 S65 S69 E70 V71D64-Q67 HydrophobicContact CB-CG 4.3Å; D64-Q67 PolarHBondContact O-N 3.44Å; S65-Q67 VanDerWaalsContact C-N 3.27Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 2.83Å; Q67-E70 HydrophobicContact CB-CB 4.17Å; Q67-E70 HydrophobicContact CB-CG 3.92Å; Q67-E70 PolarHBondContact O-N 2.92Å; Q67-V71 PolarHBondContact O-N 3.48Å
68E98.4Very high98.4Very high76 Ų7640.9 Ų40.936%0.35522%0.217SC..Hα-helixtrans-60.8-37-177.4-166.2-158.4136.800112.2E70 V71 R72 F129 Y133E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.32Å; E68-V71 PolarHBondContact O-N 3.3Å; E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 2.85Å; E68-R72 IonicContact OE1-NH2 3.26Å; E68-R72 PolarHBondContact OE1-NH2 2.92Å; E68-F129 HydrophobicContact CB-CD2 4.15Å; E68-F129 HydrophobicContact CB-CE2 3.83Å; E68-F129 HydrophobicContact CB-CZ 4.04Å; E68-F129 HydrophobicContact CG-CD1 4.27Å; E68-F129 HydrophobicContact CG-CD2 4.33Å; E68-F129 HydrophobicContact CG-CE1 4.26Å; E68-F129 HydrophobicContact CG-CE2 4.29Å; E68-F129 HydrophobicContact CG-CG 4.29Å; E68-F129 HydrophobicContact CG-CZ 4.24Å; E68-Y133 HydrophobicContact CG-CE2 3.99Å; E68-Y133 PolarHBondContact OE1-OH 3.31Å
69S98.6Very high98.4Very high83 Ų8343.9 Ų43.958%0.5823%0.233SC*.Hα-helixtrans-61.5-38.5178.450.10000112.6Q67 R72 S73Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 2.83Å; S69-R72 PolarHBondContact O-N 3.47Å; S69-S73 WeakPolarHBondContact O-CB 3.32Å; S69-S73 PolarHBondContact O-N 3.47Å
70E98.7Very high98.4Very high70 Ų7050.9 Ų50.933%0.32726%0.257SS..Hα-helixtrans-70.5-39.7176.5-66.1-172.2-135.300111.6C63 D64 Q67 E68 R72 S73 L74C63-E70 WeakPolarHBondContact CA-OE2 3.49Å; D64-E70 PolarHBondContact N-OE2 2.93Å; Q67-E70 HydrophobicContact CB-CB 4.17Å; Q67-E70 HydrophobicContact CB-CG 3.92Å; Q67-E70 PolarHBondContact O-N 2.92Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.32Å; E70-R72 VanDerWaalsContact C-N 3.34Å; E70-S73 PolarHBondContact O-N 3.45Å; E70-L74 PolarHBondContact O-N 3.46Å
71V98.8Very high98.4Very high0 Ų052.5 Ų52.50%026%0.261CS..Hα-helixtrans-62.5-44173.6-179.40000110.4Q67 E68 S73 L74 F75 F129 C130 Y133Q67-V71 PolarHBondContact O-N 3.48Å; E68-V71 PolarHBondContact O-N 3.3Å; V71-S73 PolarHBondContact O-N 3.26Å; V71-L74 WeakPolarHBondContact O-CB 3.39Å; V71-L74 PolarHBondContact O-N 3.41Å; V71-F75 HydrophobicContact CG1-CD2 3.87Å; V71-F75 HydrophobicContact CG1-CE2 3.74Å; V71-F75 VanDerWaalsContact O-CD2 3.25Å; V71-F75 WeakPolarHBondContact O-CD2 3.4Å; V71-F75 PolarHBondContact O-N 2.98Å; V71-F129 HydrophobicContact CB-CB 4.31Å; V71-F129 HydrophobicContact CG1-CB 4.03Å; V71-F129 HydrophobicContact CG2-CB 4.19Å; V71-C130 HydrophobicContact CG1-CB 4.47Å; V71-Y133 HydrophobicContact CB-CD2 4.5Å; V71-Y133 HydrophobicContact CG1-CD2 3.78Å; V71-Y133 HydrophobicContact CG1-CE2 4.43Å
72R98.8Very high98.4Very high113 Ų11354.1 Ų54.143%0.42627%0.268SS..Hα-helixtrans-56.3-51.3174.8-178.4-177.4-57.2-176.35.4111.2E68 S69 E70 L74 F75 E76 Y133E68-R72 WeakPolarHBondContact O-CB 3.39Å; E68-R72 PolarHBondContact O-N 2.85Å; E68-R72 IonicContact OE1-NH2 3.26Å; E68-R72 PolarHBondContact OE1-NH2 2.92Å; S69-R72 PolarHBondContact O-N 3.47Å; E70-R72 VanDerWaalsContact C-N 3.34Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.05Å; R72-F75 PolarHBondContact O-N 3.49Å; R72-F75 VanDerWaalsContact O-N 3.12Å; R72-E76 WeakPolarHBondContact CD-OE1 3.3Å; R72-E76 HydrophobicContact CG-CG 4.27Å; R72-E76 VanDerWaalsContact CG-OE1 3.27Å; R72-E76 WeakPolarHBondContact CG-OE1 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.23Å; R72-E76 PolarHBondContact O-N 2.93Å; R72-Y133 HydrophobicContact CB-CD1 4.48Å; R72-Y133 HydrophobicContact CB-CE1 3.78Å; R72-Y133 HydrophobicContact CB-CE2 4.29Å; R72-Y133 HydrophobicContact CG-CD1 4.45Å; R72-Y133 HydrophobicContact CG-CE1 3.68Å; R72-Y133 PolarHBondContact NE-OH 3.06Å; R72-Y133 PolarHBondContact NH2-OH 3.3Å
73S98.8Very high98.3Very high68 Ų6859.7 Ų59.748%0.47629%0.289SS..Hα-helixtrans-57.6-40.9179.4-178.60000112.5S69 E70 V71 F75 E76 Q77S69-S73 WeakPolarHBondContact O-CB 3.32Å; S69-S73 PolarHBondContact O-N 3.47Å; E70-S73 PolarHBondContact O-N 3.45Å; V71-S73 PolarHBondContact O-N 3.26Å; S73-F75 PolarHBondContact O-N 3.1Å; S73-E76 PolarHBondContact O-N 3.46Å; S73-Q77 WeakPolarHBondContact O-CB 3.33Å; S73-Q77 PolarHBondContact O-N 3.42Å
74L98.8Very high98.1Very high1 Ų160.5 Ų60.51%0.00530%0.299CS..Hα-helixtrans-56.1-51.3173.6165.971.1000111.8V11 T37 V61 E70 V71 R72 Q77 V78V11-L74 HydrophobicContact CG1-CD2 4.2Å; T37-L74 HydrophobicContact CG2-CD1 3.76Å; T37-L74 HydrophobicContact CG2-CD2 3.64Å; T37-L74 HydrophobicContact CG2-CG 4.35Å; V61-L74 HydrophobicContact CB-CD1 3.86Å; V61-L74 HydrophobicContact CG1-CD1 3.74Å; V61-L74 HydrophobicContact CG2-CD1 4.06Å; E70-L74 PolarHBondContact O-N 3.46Å; V71-L74 WeakPolarHBondContact O-CB 3.39Å; V71-L74 PolarHBondContact O-N 3.41Å; R72-L74 VanDerWaalsContact C-N 3.3Å; R72-L74 PolarHBondContact O-N 3.05Å; L74-Q77 WeakPolarHBondContact O-CB 3.38Å; L74-Q77 PolarHBondContact O-N 2.82Å; L74-V78 WeakPolarHBondContact O-CG2 3.17Å; L74-V78 PolarHBondContact O-N 3.28Å
75F98.9Very high98Very high6 Ų660.9 Ų60.93%0.02630%0.299CS..Hα-helixtrans-75.4-28.4-177.1-73.5-81.8000112.8V11 V71 R72 S73 Q77 V78 D79 L86 L89 C130 Y133 G134 L137V11-F75 HydrophobicContact CG1-CZ 4.38Å; V11-F75 HydrophobicContact CG2-CE1 4.22Å; V71-F75 HydrophobicContact CG1-CD2 3.87Å; V71-F75 HydrophobicContact CG1-CE2 3.74Å; V71-F75 VanDerWaalsContact O-CD2 3.25Å; V71-F75 WeakPolarHBondContact O-CD2 3.4Å; V71-F75 PolarHBondContact O-N 2.98Å; R72-F75 PolarHBondContact O-N 3.49Å; R72-F75 VanDerWaalsContact O-N 3.12Å; S73-F75 PolarHBondContact O-N 3.1Å; F75-Q77 VanDerWaalsContact C-N 3.3Å; F75-V78 PolarHBondContact O-N 2.99Å; F75-D79 VanDerWaalsContact O-CB 3.27Å; F75-D79 WeakPolarHBondContact O-CB 3.34Å; F75-D79 PolarHBondContact O-N 3.35Å; F75-L86 HydrophobicContact CD1-CD2 4.21Å; F75-L86 HydrophobicContact CE1-CD2 3.8Å; F75-L89 HydrophobicContact CE1-CD1 4.48Å; F75-L89 HydrophobicContact CZ-CD1 3.95Å; F75-L89 HydrophobicContact CZ-CD2 4.29Å; F75-C130 HydrophobicContact CE2-CB 4.08Å; F75-C130 HydrophobicContact CZ-CB 4.18Å; F75-C130 WeakPolarHBondContact CZ-O 3.45Å; F75-Y133 HydrophobicContact CD2-CG 4.19Å; F75-G134 VanDerWaalsContact CE1-CA 3.5Å; F75-L137 HydrophobicContact CD1-CD1 4.12Å
76E98.8Very high98.1Very high102 Ų10260.8 Ų60.848%0.47730%0.298SS..Hα-helixtrans-64.2-35.6168.4-73.3172176.600111.8R72 S73 R80R72-E76 WeakPolarHBondContact CD-OE1 3.3Å; R72-E76 HydrophobicContact CG-CG 4.27Å; R72-E76 VanDerWaalsContact CG-OE1 3.27Å; R72-E76 WeakPolarHBondContact CG-OE1 3.27Å; R72-E76 WeakPolarHBondContact O-CG 3.23Å; R72-E76 PolarHBondContact O-N 2.93Å; S73-E76 PolarHBondContact O-N 3.46Å; E76-R80 VanDerWaalsContact O-CB 3.28Å; E76-R80 WeakPolarHBondContact O-CB 3.07Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 PolarHBondContact O-NH1 3.3Å
77Q98.8Very high98.2Very high41 Ų4160.8 Ų60.819%0.19230%0.298CS..Hα-helixtrans-66.7-46.9172.2-179.9179-5.700111.7S73 L74 F75 D79 R80 E81S73-Q77 WeakPolarHBondContact O-CB 3.33Å; S73-Q77 PolarHBondContact O-N 3.42Å; L74-Q77 WeakPolarHBondContact O-CB 3.38Å; L74-Q77 PolarHBondContact O-N 2.82Å; F75-Q77 VanDerWaalsContact C-N 3.3Å; Q77-D79 VanDerWaalsContact C-N 3.35Å; Q77-D79 PolarHBondContact O-N 3.06Å; Q77-R80 PolarHBondContact O-N 2.9Å; Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 VanDerWaalsContact CG-OE1 3.24Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.29Å; Q77-E81 PolarHBondContact NE2-OE1 3.44Å; Q77-E81 WeakPolarHBondContact O-CB 3.43Å; Q77-E81 WeakPolarHBondContact O-CG 3.34Å; Q77-E81 PolarHBondContact O-N 3.24Å
78V98.8Very high98.3Very high0 Ų056.6 Ų56.60%028%0.278CS..Hα-helixtrans-58.6-48.3176.71740000110.5V9 V11 Y35 L74 F75 R80 E81 Q82 L86 L137V9-V78 HydrophobicContact CG1-CG1 4.09Å; V11-V78 HydrophobicContact CG2-CG2 3.89Å; Y35-V78 HydrophobicContact CD1-CG2 3.88Å; Y35-V78 HydrophobicContact CD2-CG2 3.84Å; Y35-V78 HydrophobicContact CE1-CG2 4.07Å; Y35-V78 HydrophobicContact CE2-CG1 4.38Å; Y35-V78 HydrophobicContact CE2-CG2 4.03Å; Y35-V78 HydrophobicContact CG-CG2 3.78Å; L74-V78 WeakPolarHBondContact O-CG2 3.17Å; L74-V78 PolarHBondContact O-N 3.28Å; F75-V78 PolarHBondContact O-N 2.99Å; V78-R80 PolarHBondContact O-N 3.03Å; V78-E81 PolarHBondContact O-N 3.44Å; V78-Q82 VanDerWaalsContact O-CB 3.27Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 WeakPolarHBondContact O-CG 3.14Å; V78-Q82 PolarHBondContact O-N 3.09Å; V78-L86 HydrophobicContact CG1-CD1 4.44Å; V78-L137 HydrophobicContact CB-CD1 4.45Å; V78-L137 HydrophobicContact CG1-CD1 4.1Å
79D98.6Very high98.3Very high74 Ų7453 Ų5340%0.39626%0.261SS..Hα-helixtrans-55.3-51.8177.4-179.933.8000111.6F75 Q77 E81 Q83 G84 L137F75-D79 VanDerWaalsContact O-CB 3.27Å; F75-D79 WeakPolarHBondContact O-CB 3.34Å; F75-D79 PolarHBondContact O-N 3.35Å; Q77-D79 VanDerWaalsContact C-N 3.35Å; Q77-D79 PolarHBondContact O-N 3.06Å; D79-E81 PolarHBondContact O-N 2.77Å; D79-Q83 CarbonylContact O-C 3.57Å; D79-Q83 VanDerWaalsContact O-CA 3.29Å; D79-Q83 WeakPolarHBondContact O-CA 3.17Å; D79-Q83 PolarHBondContact O-N 3.49Å; D79-G84 PolarHBondContact O-N 3.08Å; D79-G84 WeakPolarHBondContact OD1-CA 3.47Å; D79-G84 PolarHBondContact OD1-N 3.22Å; D79-G84 VanDerWaalsContact OD1-N 3.15Å; D79-L137 HydrophobicContact CB-CD1 4.44Å; D79-L137 HydrophobicContact CB-CD2 3.98Å
80R98.6Very high98.3Very high163 Ų16349 Ų4962%0.61523%0.233SC*.Hα-helixtrans-63.1-44.5-179.5-178.5176.862.1-101.91.7113.2E76 Q77 V78E76-R80 VanDerWaalsContact O-CB 3.28Å; E76-R80 WeakPolarHBondContact O-CB 3.07Å; E76-R80 PolarHBondContact O-N 3.15Å; E76-R80 PolarHBondContact O-NH1 3.3Å; Q77-R80 PolarHBondContact O-N 2.9Å; V78-R80 PolarHBondContact O-N 3.03Å
81E98.6Very high98.3Very high76 Ų7645.7 Ų45.736%0.35522%0.218SC..Hα-helixtrans-79.2-26.8-175-71.5179.9-168.200113Y35 Q77 V78 D79Y35-E81 WeakPolarHBondContact CE1-OE2 3.34Å; Y35-E81 WeakPolarHBondContact OH-CB 3.4Å; Y35-E81 PolarHBondContact OH-OE2 3.35Å; Q77-E81 HydrophobicContact CG-CG 4.3Å; Q77-E81 VanDerWaalsContact CG-OE1 3.24Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.29Å; Q77-E81 PolarHBondContact NE2-OE1 3.44Å; Q77-E81 WeakPolarHBondContact O-CB 3.43Å; Q77-E81 WeakPolarHBondContact O-CG 3.34Å; Q77-E81 PolarHBondContact O-N 3.24Å; V78-E81 PolarHBondContact O-N 3.44Å; D79-E81 PolarHBondContact O-N 2.77Å
82Q98.4Very high98.2Very high47 Ų4746.5 Ų46.522%0.2222%0.222CC..Hα-helixtrans-115.910.9-174.8-51.4-56-48.200113.5V9 Y35 V78 G84 H85V9-Q82 HydrophobicContact CB-CG 4.47Å; V9-Q82 HydrophobicContact CG1-CB 4.35Å; V9-Q82 HydrophobicContact CG1-CG 3.81Å; V9-Q82 HydrophobicContact CG2-CB 3.93Å; V9-Q82 HydrophobicContact CG2-CG 3.79Å; Y35-Q82 HydrophobicContact CE2-CG 3.87Å; Y35-Q82 PolarHBondContact OH-NE2 3.44Å; V78-Q82 VanDerWaalsContact O-CB 3.27Å; V78-Q82 WeakPolarHBondContact O-CB 3.44Å; V78-Q82 WeakPolarHBondContact O-CG 3.14Å; V78-Q82 PolarHBondContact O-N 3.09Å; Q82-G84 PolarHBondContact O-N 2.9Å; Q82-H85 HydrophobicContact CB-CB 4.45Å; Q82-H85 VanDerWaalsContact O-CB 3.25Å; Q82-H85 WeakPolarHBondContact O-CB 3.38Å; Q82-H85 PolarHBondContact O-N 3.32Å
83Q96.6Very high97.7Very high188 Ų18841.4 Ų41.488%0.87921%0.205SC*.THydrogen-bonded Turntrans5747.2177.1-55177.7-23.700112.4D79 H85D79-Q83 CarbonylContact O-C 3.57Å; D79-Q83 VanDerWaalsContact O-CA 3.29Å; D79-Q83 WeakPolarHBondContact O-CA 3.17Å; D79-Q83 PolarHBondContact O-N 3.49Å; Q83-H85 VanDerWaalsContact C-N 3.27Å; Q83-H85 PolarHBondContact O-N 3.21Å
84G94Very high97.1Very high22 Ų2241 Ų4123%0.22719%0.193CC..THydrogen-bonded Turntrans75.28179.800000115.6D79 Q82D79-G84 PolarHBondContact O-N 3.08Å; D79-G84 WeakPolarHBondContact OD1-CA 3.47Å; D79-G84 PolarHBondContact OD1-N 3.22Å; D79-G84 VanDerWaalsContact OD1-N 3.15Å; Q82-G84 PolarHBondContact O-N 2.9Å
85H96.1Very high96.4Very high43 Ų4343 Ų4320%0.19921%0.21CC..  trans-92.1125.3-176.9-164.1-98.3000112.6V9 Q82 Q83 D87 R143V9-H85 WeakPolarHBondContact CB-O 3.44Å; V9-H85 WeakPolarHBondContact CG1-O 3.47Å; Q82-H85 HydrophobicContact CB-CB 4.45Å; Q82-H85 VanDerWaalsContact O-CB 3.25Å; Q82-H85 WeakPolarHBondContact O-CB 3.38Å; Q82-H85 PolarHBondContact O-N 3.32Å; Q83-H85 VanDerWaalsContact C-N 3.27Å; Q83-H85 PolarHBondContact O-N 3.21Å; H85-D87 IonicContact CE1-OD1 3.34Å; H85-D87 PolarHBondContact CE1-OD1 3.11Å; H85-D87 VanDerWaalsContact CE1-OD1 3.25Å; H85-D87 IonicContact CE1-OD2 3.44Å; H85-D87 PolarHBondContact CE1-OD2 2.88Å; H85-D87 IonicContact ND1-OD2 3.14Å; H85-D87 PolarHBondContact ND1-OD2 3.26Å; H85-D87 IonicContact NE2-OD1 2.76Å; H85-D87 IonicContact NE2-OD2 3.05Å; H85-R143 PolarHBondContact NE2-NH2 3.44Å; H85-R143 VanDerWaalsContact NE2-NH2 3.17Å
86L98.8Very high95.6Very high2 Ų242.7 Ų42.71%0.0121%0.208CC..  trans-143.3121.9171.3178.864.1000108.9V9 V11 F75 V78 L137 M138V9-L86 HydrophobicContact CG1-CD1 4.17Å; V11-L86 HydrophobicContact CB-CD1 4.38Å; V11-L86 HydrophobicContact CG2-CD1 3.7Å; F75-L86 HydrophobicContact CD1-CD2 4.21Å; F75-L86 HydrophobicContact CE1-CD2 3.8Å; V78-L86 HydrophobicContact CG1-CD1 4.44Å; L86-L137 HydrophobicContact CB-CB 3.91Å; L86-L137 HydrophobicContact CB-CD1 4.18Å; L86-L137 HydrophobicContact CD2-CB 4.37Å; L86-L137 HydrophobicContact CD2-CD1 4.29Å; L86-M138 HydrophobicContact CB-CG 4.46Å; L86-M138 HydrophobicContact CD2-CE 3.75Å; L86-M138 HydrophobicContact CD2-CG 4.36Å; L86-M138 HydrophobicContact CG-CE 3.68Å; L86-M138 HydrophobicContact CG-CG 4.35Å; L86-M138 WeakPolarHBondContact O-CG 3.32Å
87D98.8Very high94.9Very high11 Ų1139.6 Ų39.66%0.05920%0.196CC..  trans-99.2-38.4178.5-57.9-90.9000112.8K8 V9 H85 G144 L145K8-D87 WeakPolarHBondContact CA-OD2 3.4Å; K8-D87 HydrophobicContact CB-CB 4.48Å; K8-D87 WeakPolarHBondContact CB-OD2 3.39Å; K8-D87 HydrophobicContact CD-CB 4.06Å; K8-D87 WeakPolarHBondContact CD-OD1 3.27Å; K8-D87 WeakPolarHBondContact CD-OD2 3.35Å; K8-D87 IonicContact NZ-OD1 2.8Å; K8-D87 PolarHBondContact NZ-OD1 2.92Å; V9-D87 PolarHBondContact N-OD2 3.4Å; V9-D87 PolarHBondContact O-N 3.35Å; H85-D87 IonicContact CE1-OD1 3.34Å; H85-D87 PolarHBondContact CE1-OD1 3.11Å; H85-D87 VanDerWaalsContact CE1-OD1 3.25Å; H85-D87 IonicContact CE1-OD2 3.44Å; H85-D87 PolarHBondContact CE1-OD2 2.88Å; H85-D87 IonicContact ND1-OD2 3.14Å; H85-D87 PolarHBondContact ND1-OD2 3.26Å; H85-D87 IonicContact NE2-OD1 2.76Å; H85-D87 IonicContact NE2-OD2 3.05Å; D87-G144 CarbonylContact O-C 3.58Å; D87-G144 WeakPolarHBondContact O-CA 3.43Å; D87-L145 PolarHBondContact O-N 3Å
88V98.9Very high94.3Very high2 Ų241 Ų411%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-133.3129.5-173.2-1730000111.4M5 V9 C10 V11 V90 L145 V236 A240M5-V88 HydrophobicContact CE-CG2 3.99Å; V9-V88 PolarHBondContact O-N 3.49Å; V9-V88 VanDerWaalsContact O-N 3.12Å; C10-V88 CarbonylContact C-O 3.48Å; C10-V88 VanDerWaalsContact CA-O 3.23Å; C10-V88 WeakPolarHBondContact CA-O 3.45Å; C10-V88 HydrophobicContact CB-CB 4.17Å; V11-V88 PolarHBondContact N-O 3.48Å; V88-V90 HydrophobicContact CG1-CG2 3.94Å; V88-L145 CarbonylContact C-O 3.55Å; V88-L145 VanDerWaalsContact CA-O 3.29Å; V88-L145 WeakPolarHBondContact CA-O 3.49Å; V88-V236 HydrophobicContact CG1-CG1 4.16Å; V88-A240 HydrophobicContact CG2-CB 3.69Å
89L98.9Very high93.9Very high0 Ų042.5 Ų42.50%021%0.212CC..EExtended strand (participates in β ladder)trans-118.7126.4168170.162.1000109V11 F75 C130 M138 L145 I146 V147V11-L89 HydrophobicContact CB-CD1 3.92Å; V11-L89 HydrophobicContact CG1-CD1 3.84Å; V11-L89 CarbonylContact O-C 3.49Å; V11-L89 WeakPolarHBondContact O-CA 3.41Å; F75-L89 HydrophobicContact CE1-CD1 4.48Å; F75-L89 HydrophobicContact CZ-CD1 3.95Å; F75-L89 HydrophobicContact CZ-CD2 4.29Å; L89-C130 HydrophobicContact CD1-CB 4.36Å; L89-C130 HydrophobicContact CD2-CB 4.25Å; L89-C130 WeakPolarHBondContact CD2-O 3.45Å; L89-M138 HydrophobicContact CB-CE 3.71Å; L89-L145 PolarHBondContact N-O 3.03Å; L89-I146 HydrophobicContact CB-CG1 4.33Å; L89-I146 HydrophobicContact CB-CG2 4.31Å; L89-I146 HydrophobicContact CD2-CG1 4.5Å; L89-I146 HydrophobicContact CD2-CG2 4.02Å; L89-I146 HydrophobicContact CG-CG2 4.18Å; L89-I146 CarbonylContact O-C 3.59Å; L89-I146 WeakPolarHBondContact O-CA 3.2Å; L89-V147 PolarHBondContact O-N 3.32Å
90V98.9Very high93.3Very high0 Ų040 Ų400%020%0.198CC..EExtended strand (participates in β ladder)trans-114.6106.5174.9-174.50000109.6V11 V12 T13 I23 V88 N92 V147 I149 V236V11-V90 PolarHBondContact O-N 2.95Å; V12-V90 HydrophobicContact CB-CB 4.44Å; V12-V90 HydrophobicContact CG1-CB 4.14Å; V12-V90 HydrophobicContact CG1-CG1 4.34Å; V12-V90 HydrophobicContact CG2-CB 4.22Å; V12-V90 HydrophobicContact CG2-CG2 4.22Å; T13-V90 PolarHBondContact N-O 3.11Å; T13-V90 PolarHBondContact OG1-O 2.78Å; I23-V90 HydrophobicContact CD1-CG1 3.87Å; I23-V90 HydrophobicContact CG2-CG1 4.39Å; I23-V90 HydrophobicContact CG2-CG2 4.09Å; V88-V90 HydrophobicContact CG1-CG2 3.94Å; V90-N92 HydrophobicContact CG1-CB 4.12Å; V90-N92 PolarHBondContact O-N 3.4Å; V90-V147 CarbonylContact C-O 3.56Å; V90-V147 WeakPolarHBondContact CA-O 3.5Å; V90-V147 HydrophobicContact CG1-CB 4.48Å; V90-V147 HydrophobicContact CG2-CB 4.39Å; V90-I149 HydrophobicContact CG1-CD1 4.37Å; V90-I149 HydrophobicContact CG1-CG1 4.38Å; V90-V236 HydrophobicContact CG2-CG1 3.97Å
91N98.8Very high92.7Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-79.394.4170.5-72.4-41.1000109.5H127 C130 S131 V147 V148 I149 Y188N91-H127 HydrophobicContact CB-CB 4Å; N91-C130 VanDerWaalsContact OD1-CB 3.27Å; N91-C130 WeakPolarHBondContact OD1-CB 2.99Å; N91-S131 PolarHBondContact ND2-OG 2.93Å; N91-V147 PolarHBondContact N-O 2.91Å; N91-V148 HydrophobicContact CB-CB 4.23Å; N91-V148 HydrophobicContact CB-CG2 4.1Å; N91-I149 PolarHBondContact O-N 3.07Å; N91-Y188 PolarHBondContact ND2-OH 2.92Å
92N96.9Very high92.2Very high17 Ų1734.5 Ų34.59%0.09118%0.183CC..  trans-123.9-22.8-177.7161.489.8000113.4T13 G14 G20 V90 Y94 I149T13-N92 WeakPolarHBondContact O-CB 3.38Å; T13-N92 PolarHBondContact O-ND2 3.23Å; T13-N92 PolarHBondContact OG1-N 2.93Å; G14-N92 PolarHBondContact O-ND2 3.26Å; G14-N92 VanDerWaalsContact O-ND2 3.1Å; G20-N92 WeakPolarHBondContact CA-ND2 3.33Å; G20-N92 PolarHBondContact N-ND2 2.76Å; G20-N92 PolarHBondContact N-OD1 3.06Å; V90-N92 HydrophobicContact CG1-CB 4.12Å; V90-N92 PolarHBondContact O-N 3.4Å; N92-Y94 PolarHBondContact O-N 2.88Å; N92-Y94 VanDerWaalsContact O-N 3.14Å; N92-I149 HydrophobicContact CB-CB 4.48Å; N92-I149 HydrophobicContact CB-CG1 3.69Å
93A88.2Confident91.6Very high7 Ų733.4 Ų33.46%0.05818%0.18CC..  trans-49.1120.6-174.500000113.1T13 V122 G123 H127T13-A93 PolarHBondContact O-N 3.01Å; T13-A93 PolarHBondContact OG1-N 2.91Å; T13-A93 VanDerWaalsContact OG1-N 3.09Å; A93-V122 HydrophobicContact CB-CG1 3.78Å; A93-G123 WeakPolarHBondContact O-CA 3.37Å; A93-H127 PolarHBondContact O-CE1 3.01Å
94Y85.4Confident90.9Very high59 Ų5928.5 Ų28.523%0.23115%0.153CC..  trans-145.3111.5-175.7-169.3-106.1000110.7N92 V97 I100 I119 Y163N92-Y94 PolarHBondContact O-N 2.88Å; N92-Y94 VanDerWaalsContact O-N 3.14Å; Y94-V97 HydrophobicContact CD1-CG2 3.38Å; Y94-V97 HydrophobicContact CE1-CB 4.43Å; Y94-V97 HydrophobicContact CE1-CG2 3.58Å; Y94-I100 HydrophobicContact CE1-CD1 4.35Å; Y94-I100 WeakPolarHBondContact OH-CD1 3.3Å; Y94-I119 HydrophobicContact CE2-CG2 4.04Å; Y94-I119 WeakPolarHBondContact OH-CG2 3.25Å; Y94-Y163 WeakPolarHBondContact OH-CD2 3.35Å
95A84.4Confident90.3Very high43 Ų4333.8 Ų33.836%0.35518%0.176SC..  trans-93.2-21.8-17500000113.4V97 V122A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.08Å; A95-V122 HydrophobicContact CB-CB 4.27Å; A95-V122 HydrophobicContact CB-CG1 4.45Å; A95-V122 HydrophobicContact CB-CG2 4.45Å
96G82.3Confident90.1Very high0 Ų036.9 Ų36.90%019%0.189CC..THydrogen-bonded Turntrans-79.2-1.6-166.800000117Q98 T99 I100 D118G96-Q98 VanDerWaalsContact C-N 3.34Å; G96-Q98 PolarHBondContact O-N 2.88Å; G96-T99 PolarHBondContact O-N 2.8Å; G96-I100 VanDerWaalsContact O-CG1 3.31Å; G96-I100 WeakPolarHBondContact O-CG1 3.49Å; G96-I100 PolarHBondContact O-N 3.03Å; G96-D118 WeakPolarHBondContact CA-O 3.13Å; G96-D118 PolarHBondContact N-O 3.44Å
97V85.2Confident89.9Confident36 Ų3637.9 Ų37.922%0.21820%0.198CC..Hα-helixtrans-56.3-48.8-176-173.80000111.1Y94 A95 T99 I100 L101 L200Y94-V97 HydrophobicContact CD1-CG2 3.38Å; Y94-V97 HydrophobicContact CE1-CB 4.43Å; Y94-V97 HydrophobicContact CE1-CG2 3.58Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.08Å; V97-T99 PolarHBondContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 3.4Å; V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.48Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.28Å; V97-L101 PolarHBondContact O-N 3.13Å; V97-L200 HydrophobicContact CB-CD1 4.01Å; V97-L200 HydrophobicContact CG1-CB 4.39Å; V97-L200 HydrophobicContact CG1-CD1 4.14Å; V97-L200 HydrophobicContact CG2-CD1 4.37Å
98Q86.1Confident89.8Confident72 Ų7243.4 Ų43.434%0.33622%0.222SC..Hα-helixtrans-66.4-41.2-177-169.462.854.400111.6G96 I100 L101 N102G96-Q98 VanDerWaalsContact C-N 3.34Å; G96-Q98 PolarHBondContact O-N 2.88Å; Q98-I100 VanDerWaalsContact C-N 3.34Å; Q98-I100 PolarHBondContact O-N 2.89Å; Q98-L101 PolarHBondContact O-N 3.25Å; Q98-N102 PolarHBondContact NE2-OD1 3.23Å; Q98-N102 WeakPolarHBondContact O-CB 3.3Å; Q98-N102 PolarHBondContact O-N 3.36Å; Q98-N102 PolarHBondContact O-OD1 3.31Å
99T88.8Confident89.7Confident31 Ų3152 Ų5219%0.1925%0.254CS..Hα-helixtrans-60.9-42.7176.7-59.10000111.2G96 V97 N102 T103 M115 D118G96-T99 PolarHBondContact O-N 2.8Å; V97-T99 PolarHBondContact O-N 3.15Å; T99-N102 PolarHBondContact O-N 3.32Å; T99-T103 WeakPolarHBondContact O-CB 3.43Å; T99-T103 PolarHBondContact O-N 3.26Å; T99-T103 VanDerWaalsContact O-N 3.1Å; T99-T103 PolarHBondContact O-OG1 2.89Å; T99-M115 HydrophobicContact CG2-CE 3.79Å; T99-M115 HydrophobicContact CG2-CG 3.78Å; T99-M115 HydrophobicContact CG2-SD 4.37Å; T99-D118 HydrophobicContact CG2-CB 4.3Å; T99-D118 WeakPolarHBondContact CG2-OD2 3.43Å; T99-D118 PolarHBondContact OG1-OD2 2.76Å
100I87.7Confident89.6Confident20 Ų2057.4 Ų57.410%0.10328%0.279CS..Hα-helixtrans-59.8-48.1174.6-70.1166.6000110.9Y94 G96 V97 Q98 N102 T103 R104 I119 F159 Y163Y94-I100 HydrophobicContact CE1-CD1 4.35Å; Y94-I100 WeakPolarHBondContact OH-CD1 3.3Å; G96-I100 VanDerWaalsContact O-CG1 3.31Å; G96-I100 WeakPolarHBondContact O-CG1 3.49Å; G96-I100 PolarHBondContact O-N 3.03Å; V97-I100 PolarHBondContact O-N 3.4Å; Q98-I100 VanDerWaalsContact C-N 3.34Å; Q98-I100 PolarHBondContact O-N 2.89Å; I100-N102 VanDerWaalsContact C-N 3.35Å; I100-N102 PolarHBondContact O-N 2.9Å; I100-T103 PolarHBondContact O-N 2.85Å; I100-R104 PolarHBondContact O-N 3.2Å; I100-I119 HydrophobicContact CD1-CD1 4.21Å; I100-I119 HydrophobicContact CD1-CG1 4.47Å; I100-I119 HydrophobicContact CG1-CD1 3.84Å; I100-I119 HydrophobicContact CG1-CG1 4.41Å; I100-F159 HydrophobicContact CG2-CB 3.81Å; I100-F159 HydrophobicContact CG2-CG 4.2Å; I100-Y163 HydrophobicContact CD1-CD2 3.65Å; I100-Y163 HydrophobicContact CD1-CG 4.18Å
101L85.6Confident89.4Confident18 Ų1858.4 Ų58.49%0.09429%0.285CS..Hα-helixtrans-64.1-39.4-179.4-66.6174.2000112.3V97 Q98 T103 H204V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.48Å; V97-L101 VanDerWaalsContact O-CG 3.31Å; V97-L101 WeakPolarHBondContact O-CG 3.28Å; V97-L101 PolarHBondContact O-N 3.13Å; Q98-L101 PolarHBondContact O-N 3.25Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.38Å; L101-H204 HydrophobicContact CD1-CB 4Å
102N86.5Confident89.3Confident106 Ų10662.4 Ų62.457%0.56731%0.311SS*.Hα-helixtrans-72.2-22.5-179.5-70.7-4.8000113.4Q98 T99 I100Q98-N102 PolarHBondContact NE2-OD1 3.23Å; Q98-N102 WeakPolarHBondContact O-CB 3.3Å; Q98-N102 PolarHBondContact O-N 3.36Å; Q98-N102 PolarHBondContact O-OD1 3.31Å; T99-N102 PolarHBondContact O-N 3.32Å; I100-N102 VanDerWaalsContact C-N 3.35Å; I100-N102 PolarHBondContact O-N 2.9Å
103T86.9Confident89.4Confident24 Ų2466.2 Ų66.215%0.14735%0.345CS..THydrogen-bonded Turntrans-110.322.1-177.859.30000112.7T99 I100 L101 N105 K106 T111 M115T99-T103 WeakPolarHBondContact O-CB 3.43Å; T99-T103 PolarHBondContact O-N 3.26Å; T99-T103 VanDerWaalsContact O-N 3.1Å; T99-T103 PolarHBondContact O-OG1 2.89Å; I100-T103 PolarHBondContact O-N 2.85Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.38Å; T103-N105 PolarHBondContact O-N 3.44Å; T103-K106 WeakPolarHBondContact O-CB 3.29Å; T103-K106 PolarHBondContact O-N 2.92Å; T103-T111 HydrophobicContact CG2-CG2 4.32Å; T103-M115 VanDerWaalsContact CB-CE 3.47Å; T103-M115 HydrophobicContact CG2-CE 3.26Å; T103-M115 WeakPolarHBondContact OG1-CE 3.23Å
104R81.7Confident89.8Confident85 Ų8569.1 Ų69.132%0.32137%0.365SS..THydrogen-bonded Turntrans-50141.3173.172-179-168.2161.92.2110.9I100 K106 E209I100-R104 PolarHBondContact O-N 3.2Å; R104-K106 PolarHBondContact O-N 2.8Å; R104-K106 VanDerWaalsContact O-N 3.11Å; R104-E209 PolarHBondContact NH2-O 3.47Å
105N82.3Confident90.2Very high133 Ų13366.6 Ų66.671%0.71136%0.355SS*.THydrogen-bonded Turntrans61.213.7177.6-51.5-31.2000115.1T103T103-N105 PolarHBondContact O-N 3.44Å
106K90.3Very high90.9Very high109 Ų10969.7 Ų69.747%0.47436%0.358SS..  trans-99.5134.2168.9-62.2-174.1177.4-175.20110T103 R104 E110 T111T103-K106 WeakPolarHBondContact O-CB 3.29Å; T103-K106 PolarHBondContact O-N 2.92Å; R104-K106 PolarHBondContact O-N 2.8Å; R104-K106 VanDerWaalsContact O-N 3.11Å; K106-E110 VanDerWaalsContact CA-OE2 3.31Å; K106-E110 WeakPolarHBondContact CA-OE2 3.49Å; K106-E110 HydrophobicContact CB-CB 4.29Å; K106-T111 HydrophobicContact CB-CG2 3.8Å; K106-T111 HydrophobicContact CD-CG2 4.36Å
107A94.7Very high91.5Very high23 Ų2373.8 Ų73.819%0.1938%0.38CS..  trans-73.8162171.800000111W109 E110A107-W109 HydrophobicContact CB-CD2 3.76Å; A107-W109 HydrophobicContact CB-CE3 3.76Å; A107-W109 HydrophobicContact CB-CH2 3.39Å; A107-W109 HydrophobicContact CB-CZ2 3.36Å; A107-W109 HydrophobicContact CB-CZ3 3.6Å; A107-W109 PolarHBondContact O-N 2.83Å; A107-W109 VanDerWaalsContact O-N 3.17Å; A107-E110 HydrophobicContact CB-CG 4.25Å; A107-E110 PolarHBondContact N-OE2 2.87Å; A107-E110 WeakPolarHBondContact O-CB 3.41Å; A107-E110 PolarHBondContact O-N 2.88Å
108F96.8Very high91.9Very high127 Ų12775.6 Ų75.656%0.55739%0.389SS*.G310 helixtrans-61.5-30.9-172.577.2-91.9000113.4E110 T111 V161F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.12Å; F108-T111 PolarHBondContact O-N 3.21Å; F108-T111 PolarHBondContact O-OG1 3.44Å; F108-V161 HydrophobicContact CB-CB 4.07Å; F108-V161 HydrophobicContact CB-CG2 3.83Å; F108-V161 HydrophobicContact CD1-CG2 3.96Å; F108-V161 HydrophobicContact CG-CG2 4.12Å
109W96.9Very high92.2Very high182 Ų18272.2 Ų72.269%0.68937%0.373SS*.G310 helixtrans-76.8-12.3177.463.183.6000113.6A107A107-W109 HydrophobicContact CB-CD2 3.76Å; A107-W109 HydrophobicContact CB-CE3 3.76Å; A107-W109 HydrophobicContact CB-CH2 3.39Å; A107-W109 HydrophobicContact CB-CZ2 3.36Å; A107-W109 HydrophobicContact CB-CZ3 3.6Å; A107-W109 PolarHBondContact O-N 2.83Å; A107-W109 VanDerWaalsContact O-N 3.17Å
110E96.8Very high92.7Very high113 Ų11371 Ų7153%0.52837%0.365SS..G310 helixtrans-94.4-5.4178.4-53.6179133.400112K106 A107 F108K106-E110 VanDerWaalsContact CA-OE2 3.31Å; K106-E110 WeakPolarHBondContact CA-OE2 3.49Å; K106-E110 HydrophobicContact CB-CB 4.29Å; A107-E110 HydrophobicContact CB-CG 4.25Å; A107-E110 PolarHBondContact N-OE2 2.87Å; A107-E110 WeakPolarHBondContact O-CB 3.41Å; A107-E110 PolarHBondContact O-N 2.88Å; F108-E110 VanDerWaalsContact C-N 3.27Å; F108-E110 PolarHBondContact O-N 3.12Å
111T96.1Very high93.1Very high21 Ų2172.1 Ų72.113%0.12937%0.371CS..SBendtrans-108.1150-178.259.20000110.9T103 K106 F108 A113 M115T103-T111 HydrophobicContact CG2-CG2 4.32Å; K106-T111 HydrophobicContact CB-CG2 3.8Å; K106-T111 HydrophobicContact CD-CG2 4.36Å; F108-T111 PolarHBondContact O-N 3.21Å; F108-T111 PolarHBondContact O-OG1 3.44Å; T111-A113 PolarHBondContact O-N 3.36Å; T111-M115 VanDerWaalsContact CB-CE 3.47Å; T111-M115 HydrophobicContact CG2-CE 3.49Å; T111-M115 VanDerWaalsContact CG2-CE 3.49Å; T111-M115 HydrophobicContact CG2-SD 4.15Å
112P96.6Very high93.6Very high84 Ų8472.3 Ų72.355%0.54537%0.373SS..  trans-58139.1175.3-2333.7000111.4S114 M115P112-S114 PolarHBondContact O-N 2.94Å; P112-S114 VanDerWaalsContact O-N 3.15Å; P112-M115 WeakPolarHBondContact O-CB 3.29Å; P112-M115 PolarHBondContact O-N 3.49Å
113A97.6Very high93.9Very high97 Ų9767.3 Ų67.380%0.80235%0.347SS*.THydrogen-bonded Turntrans-56.8-31.6176.200000112.5T111 M115 W116T111-A113 PolarHBondContact O-N 3.36Å; A113-M115 PolarHBondContact O-N 3.33Å; A113-M115 VanDerWaalsContact O-N 3.11Å; A113-W116 WeakPolarHBondContact O-CB 3.4Å; A113-W116 PolarHBondContact O-N 3.16Å; A113-W116 VanDerWaalsContact O-N 3.1Å
114S96.3Very high94.5Very high69 Ų6967.8 Ų67.848%0.48335%0.348SS..THydrogen-bonded Turntrans-61.6-15.1175.561.30000114.2P112 W116 D117 D118P112-S114 PolarHBondContact O-N 2.94Å; P112-S114 VanDerWaalsContact O-N 3.15Å; S114-W116 PolarHBondContact O-N 3.23Å; S114-D117 PolarHBondContact O-N 2.76Å; S114-D118 PolarHBondContact O-N 2.86Å
115M95.5Very high95.3Very high5 Ų569.3 Ų69.33%0.02535%0.354CS..Hα-helixtrans-56.6-29.3171.3177.1179.6-68.600112T99 T103 T111 P112 A113 D117 D118 I119 P162T99-M115 HydrophobicContact CG2-CE 3.79Å; T99-M115 HydrophobicContact CG2-CG 3.78Å; T99-M115 HydrophobicContact CG2-SD 4.37Å; T103-M115 VanDerWaalsContact CB-CE 3.47Å; T103-M115 HydrophobicContact CG2-CE 3.26Å; T103-M115 WeakPolarHBondContact OG1-CE 3.23Å; T111-M115 VanDerWaalsContact CB-CE 3.47Å; T111-M115 HydrophobicContact CG2-CE 3.49Å; T111-M115 VanDerWaalsContact CG2-CE 3.49Å; T111-M115 HydrophobicContact CG2-SD 4.15Å; P112-M115 WeakPolarHBondContact O-CB 3.29Å; P112-M115 PolarHBondContact O-N 3.49Å; A113-M115 PolarHBondContact O-N 3.33Å; A113-M115 VanDerWaalsContact O-N 3.11Å; M115-D117 VanDerWaalsContact C-N 3.28Å; M115-D117 PolarHBondContact O-N 3.47Å; M115-D118 PolarHBondContact O-N 3.37Å; M115-I119 HydrophobicContact CG-CD1 3.89Å; M115-I119 PolarHBondContact O-N 3.2Å; M115-I119 HydrophobicContact SD-CD1 4.45Å; M115-P162 HydrophobicContact CG-CG 4.42Å
116W97.4Very high96Very high108 Ų10863 Ų6341%0.40932%0.32SS..Hα-helixtrans-55.1-46.5172.8176-92.4000111.4A113 S114 I119 N120 P162 V165A113-W116 WeakPolarHBondContact O-CB 3.4Å; A113-W116 PolarHBondContact O-N 3.16Å; A113-W116 VanDerWaalsContact O-N 3.1Å; S114-W116 PolarHBondContact O-N 3.23Å; W116-I119 PolarHBondContact O-N 2.99Å; W116-N120 HydrophobicContact CD2-CB 4.24Å; W116-N120 VanDerWaalsContact CE3-ND2 3.31Å; W116-N120 VanDerWaalsContact CH2-ND2 3.32Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.2Å; W116-N120 HydrophobicContact CZ2-CB 4Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.19Å; W116-N120 WeakPolarHBondContact O-CB 3.36Å; W116-N120 PolarHBondContact O-N 3Å; W116-P162 HydrophobicContact CE3-CB 4.01Å; W116-P162 HydrophobicContact CE3-CG 4.43Å; W116-V165 HydrophobicContact CH2-CB 4.31Å; W116-V165 HydrophobicContact CH2-CG1 3.6Å; W116-V165 HydrophobicContact CZ3-CB 4.11Å; W116-V165 HydrophobicContact CZ3-CG1 3.87Å
117D95.9Very high96.5Very high87 Ų8757.9 Ų57.947%0.46530%0.298SS..Hα-helixtrans-71.9-34.7-175.8-63.9-45.6000112.2S114 M115 I119 N121S114-D117 PolarHBondContact O-N 2.76Å; M115-D117 VanDerWaalsContact C-N 3.28Å; M115-D117 PolarHBondContact O-N 3.47Å; D117-I119 PolarHBondContact O-N 3.25Å; D117-N121 HydrophobicContact CB-CB 4.36Å; D117-N121 WeakPolarHBondContact O-CB 3.49Å; D117-N121 PolarHBondContact O-N 3.37Å; D117-N121 VanDerWaalsContact O-N 3.12Å
118D92.9Very high96.7Very high74 Ų7462.9 Ų62.940%0.39631%0.313SS..Hα-helixtrans-56.6-32.7173.2-72.1-14000112.4G96 T99 S114 M115G96-D118 WeakPolarHBondContact CA-O 3.13Å; G96-D118 PolarHBondContact N-O 3.44Å; T99-D118 HydrophobicContact CG2-CB 4.3Å; T99-D118 WeakPolarHBondContact CG2-OD2 3.43Å; T99-D118 PolarHBondContact OG1-OD2 2.76Å; S114-D118 PolarHBondContact O-N 2.86Å; M115-D118 PolarHBondContact O-N 3.37Å
119I93.3Very high96.7Very high1 Ų157.9 Ų57.91%0.00529%0.291CS..Hα-helixtrans-97.8-52.1-174.4-68.3165.3000111.2Y94 I100 M115 W116 D117 G123 P162Y94-I119 HydrophobicContact CE2-CG2 4.04Å; Y94-I119 WeakPolarHBondContact OH-CG2 3.25Å; I100-I119 HydrophobicContact CD1-CD1 4.21Å; I100-I119 HydrophobicContact CD1-CG1 4.47Å; I100-I119 HydrophobicContact CG1-CD1 3.84Å; I100-I119 HydrophobicContact CG1-CG1 4.41Å; M115-I119 HydrophobicContact CG-CD1 3.89Å; M115-I119 PolarHBondContact O-N 3.2Å; M115-I119 HydrophobicContact SD-CD1 4.45Å; W116-I119 PolarHBondContact O-N 2.99Å; D117-I119 PolarHBondContact O-N 3.25Å; I119-G123 WeakPolarHBondContact O-CA 3.4Å; I119-G123 PolarHBondContact O-N 2.98Å; I119-P162 HydrophobicContact CB-CB 4.26Å; I119-P162 HydrophobicContact CD1-CB 3.73Å; I119-P162 HydrophobicContact CD1-CG 4.28Å; I119-P162 HydrophobicContact CG2-CB 4.26Å
120N98Very high96.8Very high6 Ų649.2 Ų49.23%0.03226%0.258CS..Hα-helixtrans-101.9-9-166-70.5-35.1000114.4W116 L124 R125 P162 G166W116-N120 HydrophobicContact CD2-CB 4.24Å; W116-N120 VanDerWaalsContact CE3-ND2 3.31Å; W116-N120 VanDerWaalsContact CH2-ND2 3.32Å; W116-N120 WeakPolarHBondContact CH2-ND2 3.2Å; W116-N120 HydrophobicContact CZ2-CB 4Å; W116-N120 WeakPolarHBondContact CZ3-ND2 3.19Å; W116-N120 WeakPolarHBondContact O-CB 3.36Å; W116-N120 PolarHBondContact O-N 3Å; N120-L124 HydrophobicContact CB-CB 4.21Å; N120-L124 HydrophobicContact CB-CD2 4.42Å; N120-L124 VanDerWaalsContact O-CB 3.31Å; N120-L124 WeakPolarHBondContact O-CB 3.41Å; N120-L124 PolarHBondContact O-N 2.81Å; N120-R125 PolarHBondContact O-N 3.42Å; N120-P162 PolarHBondContact ND2-O 3.28Å; N120-G166 WeakPolarHBondContact OD1-CA 3.17Å
121N97.1Very high96.9Very high42 Ų4244.1 Ų44.123%0.22524%0.235CC..Iπ-helixtrans-70.9-62.9172.9-165.51.7000110D117 R125 G126D117-N121 HydrophobicContact CB-CB 4.36Å; D117-N121 WeakPolarHBondContact O-CB 3.49Å; D117-N121 PolarHBondContact O-N 3.37Å; D117-N121 VanDerWaalsContact O-N 3.12Å; N121-R125 CarbonylContact O-C 3.59Å; N121-R125 WeakPolarHBondContact O-CB 3.39Å; N121-R125 PolarHBondContact O-N 3.37Å; N121-R125 PolarHBondContact OD1-NH1 3.26Å; N121-G126 PolarHBondContact O-N 3.4Å
122V95.5Very high97.1Very high23 Ų2345.1 Ų45.114%0.13924%0.241CC..Iπ-helixtrans-69.2-45.4176.4172.20000111.4A93 A95 L124A93-V122 HydrophobicContact CB-CG1 3.78Å; A95-V122 HydrophobicContact CB-CB 4.27Å; A95-V122 HydrophobicContact CB-CG1 4.45Å; A95-V122 HydrophobicContact CB-CG2 4.45Å; V122-L124 PolarHBondContact O-N 2.87Å
123G94.1Very high97.2Very high1 Ų142 Ų421%0.0122%0.218CC..Iπ-helixtrans-85.35.8-170.700000116.6A93 I119 H127A93-G123 WeakPolarHBondContact O-CA 3.37Å; I119-G123 WeakPolarHBondContact O-CA 3.4Å; I119-G123 PolarHBondContact O-N 2.98Å; G123-H127 PolarHBondContact O-CD2 3.4Å; G123-H127 PolarHBondContact O-NE2 3.22Å
124L98.1Very high97.3Very high33 Ų3337.4 Ų37.417%0.17318%0.18CC..Iπ-helixtrans-145.8-59.5172.9174.664.9000111.3N120 V122 G126 H127 Y128 A169N120-L124 HydrophobicContact CB-CB 4.21Å; N120-L124 HydrophobicContact CB-CD2 4.42Å; N120-L124 VanDerWaalsContact O-CB 3.31Å; N120-L124 WeakPolarHBondContact O-CB 3.41Å; N120-L124 PolarHBondContact O-N 2.81Å; V122-L124 PolarHBondContact O-N 2.87Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 3.32Å; L124-H127 WeakPolarHBondContact O-CB 3.37Å; L124-H127 PolarHBondContact O-N 2.91Å; L124-H127 VanDerWaalsContact O-N 3.12Å; L124-Y128 PolarHBondContact O-N 3.46Å; L124-Y128 VanDerWaalsContact O-N 3.13Å; L124-A169 HydrophobicContact CD1-CB 3.58Å; L124-A169 HydrophobicContact CD2-CB 3.6Å; L124-A169 HydrophobicContact CG-CB 4.24Å
125R98.6Very high97.4Very high117 Ų11735.1 Ų35.144%0.44217%0.165SC..Iπ-helixtrans-61.9-41.7179.5177.5172173.3-87.52.5111.9S66 N120 N121 H127 Y128 F129S66-R125 PolarHBondContact O-NH1 3.21Å; N120-R125 PolarHBondContact O-N 3.42Å; N121-R125 CarbonylContact O-C 3.59Å; N121-R125 WeakPolarHBondContact O-CB 3.39Å; N121-R125 PolarHBondContact O-N 3.37Å; N121-R125 PolarHBondContact OD1-NH1 3.26Å; R125-H127 VanDerWaalsContact C-N 3.31Å; R125-H127 PolarHBondContact O-N 3.01Å; R125-Y128 WeakPolarHBondContact O-CB 3.42Å; R125-Y128 PolarHBondContact O-N 3.31Å; R125-Y128 VanDerWaalsContact O-N 3.17Å; R125-F129 HydrophobicContact CG-CE1 4.37Å; R125-F129 HydrophobicContact CG-CE2 3.95Å; R125-F129 HydrophobicContact CG-CZ 3.89Å; R125-F129 VanDerWaalsContact NH1-CE2 3.32Å; R125-F129 VanDerWaalsContact NH2-CZ 3.27Å; R125-F129 PolarHBondContact O-N 2.76Å; R125-F129 VanDerWaalsContact O-N 3.1Å
126G98.5Very high97.5Very high0 Ų042 Ų420%019%0.191CC..Hα-helixtrans-62.1-35.9173.900000113.5S65 N121 L124 Y128 F129 C130S65-G126 WeakPolarHBondContact O-CA 3.46Å; N121-G126 PolarHBondContact O-N 3.4Å; L124-G126 VanDerWaalsContact C-N 3.34Å; L124-G126 PolarHBondContact O-N 3.32Å; G126-Y128 VanDerWaalsContact C-N 3.32Å; G126-Y128 PolarHBondContact O-N 2.97Å; G126-F129 PolarHBondContact O-N 2.98Å; G126-C130 PolarHBondContact O-N 3.16Å; G126-C130 PolarHBondContact O-SG 3.46Å; G126-C130 VanDerWaalsContact O-SG 3.36Å
127H98.8Very high97.6Very high2 Ų238 Ų381%0.00918%0.177CC..Hα-helixtrans-63.8-38.9174.1-62.4-15.8000111.9N91 A93 G123 L124 R125 S131 L173N91-H127 HydrophobicContact CB-CB 4Å; A93-H127 PolarHBondContact O-CE1 3.01Å; G123-H127 PolarHBondContact O-CD2 3.4Å; G123-H127 PolarHBondContact O-NE2 3.22Å; L124-H127 WeakPolarHBondContact O-CB 3.37Å; L124-H127 PolarHBondContact O-N 2.91Å; L124-H127 VanDerWaalsContact O-N 3.12Å; R125-H127 VanDerWaalsContact C-N 3.31Å; R125-H127 PolarHBondContact O-N 3.01Å; H127-S131 VanDerWaalsContact O-CB 3.31Å; H127-S131 WeakPolarHBondContact O-CB 3.31Å; H127-S131 PolarHBondContact O-N 3.26Å; H127-S131 PolarHBondContact O-OG 2.53Å; H127-L173 HydrophobicContact CB-CD2 4.1Å
128Y98.9Very high97.7Very high129 Ų12933.9 Ų33.951%0.50616%0.155SC..Hα-helixtrans-62.9-47.3174.4-177.4-109.2000111.3L124 R125 G126 C130 S131 V132 L173L124-Y128 PolarHBondContact O-N 3.46Å; L124-Y128 VanDerWaalsContact O-N 3.13Å; R125-Y128 WeakPolarHBondContact O-CB 3.42Å; R125-Y128 PolarHBondContact O-N 3.31Å; R125-Y128 VanDerWaalsContact O-N 3.17Å; G126-Y128 VanDerWaalsContact C-N 3.32Å; G126-Y128 PolarHBondContact O-N 2.97Å; Y128-C130 PolarHBondContact O-N 3.43Å; Y128-S131 WeakPolarHBondContact O-CB 3.3Å; Y128-S131 PolarHBondContact O-N 3.48Å; Y128-V132 HydrophobicContact CD1-CG2 4.32Å; Y128-V132 HydrophobicContact CE1-CG2 3.93Å; Y128-V132 HydrophobicContact CE2-CG2 4.17Å; Y128-V132 WeakPolarHBondContact O-CG2 3.27Å; Y128-V132 PolarHBondContact O-N 2.65Å; Y128-L173 HydrophobicContact CD2-CD1 3.78Å
129F98.9Very high98Very high22 Ų2232.3 Ų32.310%0.09615%0.149CC..Hα-helixtrans-57.2-52175.9-64.5-23000112.5E68 V71 R125 G126 S131 V132 Y133E68-F129 HydrophobicContact CB-CD2 4.15Å; E68-F129 HydrophobicContact CB-CE2 3.83Å; E68-F129 HydrophobicContact CB-CZ 4.04Å; E68-F129 HydrophobicContact CG-CD1 4.27Å; E68-F129 HydrophobicContact CG-CD2 4.33Å; E68-F129 HydrophobicContact CG-CE1 4.26Å; E68-F129 HydrophobicContact CG-CE2 4.29Å; E68-F129 HydrophobicContact CG-CG 4.29Å; E68-F129 HydrophobicContact CG-CZ 4.24Å; V71-F129 HydrophobicContact CB-CB 4.31Å; V71-F129 HydrophobicContact CG1-CB 4.03Å; V71-F129 HydrophobicContact CG2-CB 4.19Å; R125-F129 HydrophobicContact CG-CE1 4.37Å; R125-F129 HydrophobicContact CG-CE2 3.95Å; R125-F129 HydrophobicContact CG-CZ 3.89Å; R125-F129 VanDerWaalsContact NH1-CE2 3.32Å; R125-F129 VanDerWaalsContact NH2-CZ 3.27Å; R125-F129 PolarHBondContact O-N 2.76Å; R125-F129 VanDerWaalsContact O-N 3.1Å; G126-F129 PolarHBondContact O-N 2.98Å; F129-S131 PolarHBondContact O-N 3.34Å; F129-V132 PolarHBondContact O-N 2.89Å; F129-V132 VanDerWaalsContact O-N 3.16Å; F129-Y133 VanDerWaalsContact O-CD2 3.24Å; F129-Y133 WeakPolarHBondContact O-CD2 3.49Å; F129-Y133 PolarHBondContact O-N 3.13Å; F129-Y133 VanDerWaalsContact O-N 3.09Å
130C98.9Very high98.3Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-59.5-38178.6-67.30000111.8V71 F75 L89 N91 G126 Y128 G134V71-C130 HydrophobicContact CG1-CB 4.47Å; F75-C130 HydrophobicContact CE2-CB 4.08Å; F75-C130 HydrophobicContact CZ-CB 4.18Å; F75-C130 WeakPolarHBondContact CZ-O 3.45Å; L89-C130 HydrophobicContact CD1-CB 4.36Å; L89-C130 HydrophobicContact CD2-CB 4.25Å; L89-C130 WeakPolarHBondContact CD2-O 3.45Å; N91-C130 VanDerWaalsContact OD1-CB 3.27Å; N91-C130 WeakPolarHBondContact OD1-CB 2.99Å; G126-C130 PolarHBondContact O-N 3.16Å; G126-C130 PolarHBondContact O-SG 3.46Å; G126-C130 VanDerWaalsContact O-SG 3.36Å; Y128-C130 PolarHBondContact O-N 3.43Å; C130-G134 PolarHBondContact O-N 2.76Å
131S98.9Very high98.2Very high5 Ų539.4 Ų39.44%0.03520%0.199CC..Hα-helixtrans-65.1-42.2176.8-56.90000112.3N91 H127 Y128 F129 A135 Y188N91-S131 PolarHBondContact ND2-OG 2.93Å; H127-S131 VanDerWaalsContact O-CB 3.31Å; H127-S131 WeakPolarHBondContact O-CB 3.31Å; H127-S131 PolarHBondContact O-N 3.26Å; H127-S131 PolarHBondContact O-OG 2.53Å; Y128-S131 WeakPolarHBondContact O-CB 3.3Å; Y128-S131 PolarHBondContact O-N 3.48Å; F129-S131 PolarHBondContact O-N 3.34Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 2.73Å; S131-Y188 PolarHBondContact OG-OH 3.08Å
132V98.9Very high98.3Very high43 Ų4339.4 Ų39.426%0.26121%0.208SC..Hα-helixtrans-59.6-51.6176.5168.80000110.9Y128 F129 R136Y128-V132 HydrophobicContact CD1-CG2 4.32Å; Y128-V132 HydrophobicContact CE1-CG2 3.93Å; Y128-V132 HydrophobicContact CE2-CG2 4.17Å; Y128-V132 WeakPolarHBondContact O-CG2 3.27Å; Y128-V132 PolarHBondContact O-N 2.65Å; F129-V132 PolarHBondContact O-N 2.89Å; F129-V132 VanDerWaalsContact O-N 3.16Å; V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.26Å
133Y98.9Very high98.4Very high19 Ų1944.1 Ų44.18%0.07522%0.224CC..Hα-helixtrans-72.8-36.9-177.4-71.6-78.7000112.6E68 V71 R72 F75 F129 R136E68-Y133 HydrophobicContact CG-CE2 3.99Å; E68-Y133 PolarHBondContact OE1-OH 3.31Å; V71-Y133 HydrophobicContact CB-CD2 4.5Å; V71-Y133 HydrophobicContact CG1-CD2 3.78Å; V71-Y133 HydrophobicContact CG1-CE2 4.43Å; R72-Y133 HydrophobicContact CB-CD1 4.48Å; R72-Y133 HydrophobicContact CB-CE1 3.78Å; R72-Y133 HydrophobicContact CB-CE2 4.29Å; R72-Y133 HydrophobicContact CG-CD1 4.45Å; R72-Y133 HydrophobicContact CG-CE1 3.68Å; R72-Y133 PolarHBondContact NE-OH 3.06Å; R72-Y133 PolarHBondContact NH2-OH 3.3Å; F75-Y133 HydrophobicContact CD2-CG 4.19Å; F129-Y133 VanDerWaalsContact O-CD2 3.24Å; F129-Y133 WeakPolarHBondContact O-CD2 3.49Å; F129-Y133 PolarHBondContact O-N 3.13Å; F129-Y133 VanDerWaalsContact O-N 3.09Å; Y133-R136 WeakPolarHBondContact O-CB 3.44Å; Y133-R136 PolarHBondContact O-N 2.66Å
134G98.9Very high98.6Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-65.2-42.8174.100000112.7F75 C130 R136 L137 M138F75-G134 VanDerWaalsContact CE1-CA 3.5Å; C130-G134 PolarHBondContact O-N 2.76Å; G134-R136 VanDerWaalsContact C-N 3.27Å; G134-R136 PolarHBondContact O-N 3.17Å; G134-L137 PolarHBondContact O-N 3.29Å; G134-L137 VanDerWaalsContact O-N 3.08Å; G134-M138 WeakPolarHBondContact O-CG 3.36Å; G134-M138 PolarHBondContact O-N 3.09Å
135A98.9Very high98.7Very high20 Ų2043.4 Ų43.417%0.16522%0.223CC..Hα-helixtrans-62-34.2176.800000112.5S131 L137 M138 V139 L181S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 2.73Å; A135-L137 PolarHBondContact O-N 2.61Å; A135-M138 PolarHBondContact O-N 3.12Å; A135-V139 WeakPolarHBondContact O-CB 3.46Å; A135-V139 VanDerWaalsContact O-CG2 3.29Å; A135-V139 WeakPolarHBondContact O-CG2 3.46Å; A135-V139 PolarHBondContact O-N 2.96Å; A135-L181 HydrophobicContact CB-CD2 4.13Å
136R98.8Very high98.7Very high150 Ų15037.9 Ų37.957%0.56620%0.203SC*.Hα-helixtrans-60.4-28.1174.9-73.7168.7179.6167.7-1113.1V132 Y133 G134 P140V132-R136 WeakPolarHBondContact O-CG 3.44Å; V132-R136 PolarHBondContact O-N 3.26Å; Y133-R136 WeakPolarHBondContact O-CB 3.44Å; Y133-R136 PolarHBondContact O-N 2.66Å; G134-R136 VanDerWaalsContact C-N 3.27Å; G134-R136 PolarHBondContact O-N 3.17Å; R136-P140 WeakPolarHBondContact O-CD 3.44Å; R136-P140 WeakPolarHBondContact O-CG 3.23Å
137L98.8Very high98.7Very high24 Ų2437.9 Ų37.913%0.12620%0.203CC..Hα-helixtrans-88.1-35.5174.4-57.7-177000112.4F75 V78 D79 L86 G134 A135F75-L137 HydrophobicContact CD1-CD1 4.12Å; V78-L137 HydrophobicContact CB-CD1 4.45Å; V78-L137 HydrophobicContact CG1-CD1 4.1Å; D79-L137 HydrophobicContact CB-CD1 4.44Å; D79-L137 HydrophobicContact CB-CD2 3.98Å; L86-L137 HydrophobicContact CB-CB 3.91Å; L86-L137 HydrophobicContact CB-CD1 4.18Å; L86-L137 HydrophobicContact CD2-CB 4.37Å; L86-L137 HydrophobicContact CD2-CD1 4.29Å; G134-L137 PolarHBondContact O-N 3.29Å; G134-L137 VanDerWaalsContact O-N 3.08Å; A135-L137 PolarHBondContact O-N 2.61Å
138M98.8Very high98.7Very high0 Ų037.8 Ų37.80%020%0.202CC..Hα-helixtrans-77.3-38.7-177.1-67.3178.9179.500113.8L86 L89 G134 A135 A141 G142 R143 I146 V186L86-M138 HydrophobicContact CB-CG 4.46Å; L86-M138 HydrophobicContact CD2-CE 3.75Å; L86-M138 HydrophobicContact CD2-CG 4.36Å; L86-M138 HydrophobicContact CG-CE 3.68Å; L86-M138 HydrophobicContact CG-CG 4.35Å; L86-M138 WeakPolarHBondContact O-CG 3.32Å; L89-M138 HydrophobicContact CB-CE 3.71Å; G134-M138 WeakPolarHBondContact O-CG 3.36Å; G134-M138 PolarHBondContact O-N 3.09Å; A135-M138 PolarHBondContact O-N 3.12Å; M138-A141 PolarHBondContact O-N 3.05Å; M138-G142 PolarHBondContact O-N 2.62Å; M138-R143 VanDerWaalsContact O-O 3.12Å; M138-I146 HydrophobicContact CE-CG1 4.13Å; M138-I146 HydrophobicContact SD-CD1 4.2Å; M138-I146 HydrophobicContact SD-CG1 3.66Å; M138-V186 HydrophobicContact CB-CG1 4.1Å; M138-V186 HydrophobicContact CB-CG2 3.81Å; M138-V186 HydrophobicContact SD-CG1 3.93Å
139V98.8Very high98.7Very high42 Ų4232.3 Ų32.326%0.25518%0.181SC..THydrogen-bonded Turntrans-62.6-46.3-174.7166.30000112.6A135 A141 G142 L181 H184 V186A135-V139 WeakPolarHBondContact O-CB 3.46Å; A135-V139 VanDerWaalsContact O-CG2 3.29Å; A135-V139 WeakPolarHBondContact O-CG2 3.46Å; A135-V139 PolarHBondContact O-N 2.96Å; V139-A141 PolarHBondContact O-N 3.31Å; V139-G142 PolarHBondContact O-N 2.92Å; V139-L181 HydrophobicContact CG2-CD2 3.58Å; V139-H184 HydrophobicContact CG1-CB 4.07Å; V139-H184 HydrophobicContact CG2-CB 4.22Å; V139-V186 HydrophobicContact CG2-CG2 4.32Å
140P98.4Very high98.5Very high108 Ų10831.4 Ų31.470%0.70118%0.178SC*.THydrogen-bonded Turntrans-60.7-30.8175.8-24.735.6000113.5R136 G142R136-P140 WeakPolarHBondContact O-CD 3.44Å; R136-P140 WeakPolarHBondContact O-CG 3.23Å; P140-G142 PolarHBondContact O-N 3.21Å
141A97.6Very high98.3Very high48 Ų4832 Ų3240%0.39718%0.182SC..THydrogen-bonded Turntrans-76.5-9.7177.100000113.5M138 V139 R143M138-A141 PolarHBondContact O-N 3.05Å; V139-A141 PolarHBondContact O-N 3.31Å; A141-R143 HydrophobicContact CB-CG 4.3Å; A141-R143 PolarHBondContact O-N 2.61Å
142G98.1Very high97.9Very high41 Ų4133.7 Ų33.742%0.42319%0.193SC..THydrogen-bonded Turntrans65.715.7-178.900000114.2M138 V139 P140 H184M138-G142 PolarHBondContact O-N 2.62Å; V139-G142 PolarHBondContact O-N 2.92Å; P140-G142 PolarHBondContact O-N 3.21Å; G142-H184 CarbonylContact C-O 3.59Å; G142-H184 VanDerWaalsContact CA-O 3.25Å; G142-H184 WeakPolarHBondContact CA-O 3.41Å
143R98.1Very high97.4Very high123 Ų12331.7 Ų31.746%0.46418%0.181SC..  trans-158.5153.1-176.768-177.5178.9-164.7-9.3111H85 M138 A141H85-R143 PolarHBondContact NE2-NH2 3.44Å; H85-R143 VanDerWaalsContact NE2-NH2 3.17Å; M138-R143 VanDerWaalsContact O-O 3.12Å; A141-R143 HydrophobicContact CB-CG 4.3Å; A141-R143 PolarHBondContact O-N 2.61Å
144G98.6Very high97.1Very high14 Ų1431.7 Ų31.714%0.14418%0.183CC..EExtended strand (participates in β ladder)trans161.1164.5173.400000111.4D87 S187D87-G144 CarbonylContact O-C 3.58Å; D87-G144 WeakPolarHBondContact O-CA 3.43Å; G144-S187 PolarHBondContact O-N 3.05Å
145L98.9Very high96.7Very high5 Ų534.3 Ų34.33%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-131.3120.2175.917461.6000110D87 V88 L89 V147 S187 V189 L239 A240 I245D87-L145 PolarHBondContact O-N 3Å; V88-L145 CarbonylContact C-O 3.55Å; V88-L145 VanDerWaalsContact CA-O 3.29Å; V88-L145 WeakPolarHBondContact CA-O 3.49Å; L89-L145 PolarHBondContact N-O 3.03Å; L145-V147 HydrophobicContact CD1-CG2 4.2Å; L145-V147 HydrophobicContact CD2-CG2 4.05Å; L145-V147 HydrophobicContact CG-CG2 3.88Å; L145-S187 CarbonylContact C-O 3.6Å; L145-S187 WeakPolarHBondContact CA-O 3.43Å; L145-V189 HydrophobicContact CD1-CG1 4.48Å; L145-V189 HydrophobicContact CD1-CG2 4.1Å; L145-L239 HydrophobicContact CD2-CB 3.73Å; L145-A240 HydrophobicContact CD2-CB 4.15Å; L145-I245 HydrophobicContact CD1-CD1 4.05Å; L145-I245 HydrophobicContact CD1-CG1 3.87Å; L145-I245 HydrophobicContact CD2-CD1 4.45Å; L145-I245 HydrophobicContact CD2-CG1 4.41Å
146I98.9Very high96.2Very high1 Ų138 Ų381%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-103.8129.9167.7-50.1179.3000108.5L89 M138 L181 S187 Y188 V189L89-I146 HydrophobicContact CB-CG1 4.33Å; L89-I146 HydrophobicContact CB-CG2 4.31Å; L89-I146 HydrophobicContact CD2-CG1 4.5Å; L89-I146 HydrophobicContact CD2-CG2 4.02Å; L89-I146 HydrophobicContact CG-CG2 4.18Å; L89-I146 CarbonylContact O-C 3.59Å; L89-I146 WeakPolarHBondContact O-CA 3.2Å; M138-I146 HydrophobicContact CE-CG1 4.13Å; M138-I146 HydrophobicContact SD-CD1 4.2Å; M138-I146 HydrophobicContact SD-CG1 3.66Å; I146-L181 HydrophobicContact CD1-CD1 3.99Å; I146-S187 PolarHBondContact N-O 3.38Å; I146-Y188 HydrophobicContact CB-CD1 3.74Å; I146-Y188 HydrophobicContact CB-CD2 3.95Å; I146-Y188 HydrophobicContact CB-CE1 4.03Å; I146-Y188 HydrophobicContact CB-CE2 4.2Å; I146-Y188 HydrophobicContact CB-CG 3.72Å; I146-Y188 HydrophobicContact CD1-CD1 3.95Å; I146-Y188 HydrophobicContact CD1-CE1 4.22Å; I146-Y188 HydrophobicContact CG1-CD1 4.38Å; I146-Y188 HydrophobicContact CG2-CD1 3.79Å; I146-Y188 HydrophobicContact CG2-CD2 3.93Å; I146-Y188 HydrophobicContact CG2-CE1 3.53Å; I146-Y188 HydrophobicContact CG2-CE2 3.64Å; I146-Y188 HydrophobicContact CG2-CG 4.02Å; I146-Y188 VanDerWaalsContact CG2-CZ 3.44Å; I146-Y188 CarbonylContact O-C 3.58Å; I146-Y188 VanDerWaalsContact O-CA 3.27Å; I146-Y188 WeakPolarHBondContact O-CA 3.49Å; I146-Y188 WeakPolarHBondContact O-CD2 3.31Å; I146-V189 PolarHBondContact O-N 2.99Å
147V98.9Very high95.7Very high0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-118.3127.9175.7-175.80000107.8L89 V90 N91 L145 I149 V189 L191 V236L89-V147 PolarHBondContact O-N 3.32Å; V90-V147 CarbonylContact C-O 3.56Å; V90-V147 WeakPolarHBondContact CA-O 3.5Å; V90-V147 HydrophobicContact CG1-CB 4.48Å; V90-V147 HydrophobicContact CG2-CB 4.39Å; N91-V147 PolarHBondContact N-O 2.91Å; L145-V147 HydrophobicContact CD1-CG2 4.2Å; L145-V147 HydrophobicContact CD2-CG2 4.05Å; L145-V147 HydrophobicContact CG-CG2 3.88Å; V147-I149 HydrophobicContact CG1-CD1 4.24Å; V147-V189 WeakPolarHBondContact CA-O 3.34Å; V147-V189 HydrophobicContact CB-CG2 4.42Å; V147-V189 HydrophobicContact CG1-CG2 4.31Å; V147-V189 HydrophobicContact CG2-CG2 3.96Å; V147-L191 HydrophobicContact CG1-CB 3.67Å; V147-L191 HydrophobicContact CG1-CD2 4.37Å; V147-V236 HydrophobicContact CG1-CG2 4.49Å
148V98.8Very high95.2Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-105.2136163.867.10000109.8N91 C170 A174 Y188 V189 L191N91-V148 HydrophobicContact CB-CB 4.23Å; N91-V148 HydrophobicContact CB-CG2 4.1Å; V148-C170 HydrophobicContact CG2-CB 3.94Å; V148-A174 HydrophobicContact CG1-CB 3.74Å; V148-Y188 HydrophobicContact CB-CE2 3.88Å; V148-Y188 HydrophobicContact CG1-CE2 3.88Å; V148-V189 PolarHBondContact N-O 2.96Å; V148-L191 PolarHBondContact O-N 2.71Å
149I98Very high94.7Very high14 Ų1444.5 Ų44.57%0.07224%0.241CC..EExtended strand (participates in β ladder)trans-84.3116.1173.3-55.9-54.5000108.9I19 I23 V90 N91 N92 V147 L191 P193I19-I149 HydrophobicContact CD1-CG2 4.48Å; I19-I149 HydrophobicContact CG2-CD1 4.43Å; I19-I149 HydrophobicContact CG2-CG1 4.44Å; I23-I149 HydrophobicContact CD1-CD1 3.97Å; V90-I149 HydrophobicContact CG1-CD1 4.37Å; V90-I149 HydrophobicContact CG1-CG1 4.38Å; N91-I149 PolarHBondContact O-N 3.07Å; N92-I149 HydrophobicContact CB-CB 4.48Å; N92-I149 HydrophobicContact CB-CG1 3.69Å; V147-I149 HydrophobicContact CG1-CD1 4.24Å; I149-L191 HydrophobicContact CD1-CB 4.13Å; I149-L191 HydrophobicContact CD1-CD2 3.82Å; I149-L191 HydrophobicContact CD1-CG 4.35Å; I149-P193 HydrophobicContact CG2-CG 3.82Å
150S96.5Very high94.4Very high3 Ų343.2 Ų43.22%0.02123%0.232CC..  trans-126.6-163.4178.8-166.10000110.8K167 D171 S190 L191 P193S150-K167 PolarHBondContact OG-O 3.25Å; S150-D171 WeakPolarHBondContact CB-OD1 3.37Å; S150-D171 PolarHBondContact OG-OD1 3.22Å; S150-S190 WeakPolarHBondContact CB-OG 3.34Å; S150-L191 PolarHBondContact N-O 3.26Å; S150-P193 WeakPolarHBondContact O-CD 3.4Å
151S93.3Very high94.2Very high11 Ų1140.9 Ų40.98%0.07722%0.216CC..  trans-161.5169.7-178.277.90000111.2G153 S154 Y163S151-G153 PolarHBondContact O-N 3.07Å; S151-G153 PolarHBondContact OG-N 3.37Å; S151-G153 VanDerWaalsContact OG-N 3.11Å; S151-S154 PolarHBondContact O-N 3.49Å; S151-S154 VanDerWaalsContact O-N 3.07Å; S151-S154 PolarHBondContact O-OG 3.08Å; S151-S154 VanDerWaalsContact O-OG 3.14Å; S151-Y163 WeakPolarHBondContact CB-OH 3.5Å; S151-Y163 PolarHBondContact OG-OH 3.19Å
152P89.9Confident94.2Very high41 Ų4139.2 Ų39.227%0.26620%0.201SC..G310 helixtrans-58.9-10.9171.4-23.133.6000114.7S154 L155 M158 W192P152-S154 PolarHBondContact O-N 3.4Å; P152-S154 VanDerWaalsContact O-N 3.17Å; P152-L155 PolarHBondContact O-N 3.38Å; P152-L155 VanDerWaalsContact O-N 3.09Å; P152-M158 HydrophobicContact CB-CE 4.08Å; P152-W192 HydrophobicContact CB-CE3 4.43Å; P152-W192 HydrophobicContact CB-CZ3 4.21Å; P152-W192 HydrophobicContact CG-CE3 3.86Å; P152-W192 HydrophobicContact CG-CZ3 4.1Å
153G89.4Confident94Very high1 Ų138.4 Ų38.41%0.0119%0.185CC..G310 helixtrans-62.6-12170.800000113.9S151 L155 G164S151-G153 PolarHBondContact O-N 3.07Å; S151-G153 PolarHBondContact OG-N 3.37Å; S151-G153 VanDerWaalsContact OG-N 3.11Å; G153-L155 VanDerWaalsContact C-N 3.29Å; G153-G164 WeakPolarHBondContact O-CA 3.31Å
154S93.2Very high93.9Very high19 Ų1933 Ų3313%0.13317%0.169CC..G310 helixtrans-70.8-23.8170.7650000113.9S151 P152 K167 D171 W192S151-S154 PolarHBondContact O-N 3.49Å; S151-S154 VanDerWaalsContact O-N 3.07Å; S151-S154 PolarHBondContact O-OG 3.08Å; S151-S154 VanDerWaalsContact O-OG 3.14Å; P152-S154 PolarHBondContact O-N 3.4Å; P152-S154 VanDerWaalsContact O-N 3.17Å; S154-K167 WeakPolarHBondContact CB-O 3.49Å; S154-D171 WeakPolarHBondContact CB-OD2 3.26Å; S154-D171 PolarHBondContact OG-OD2 3Å; S154-W192 WeakPolarHBondContact OG-CZ2 3.43Å
155L90.8Very high93.8Very high56 Ų5635.7 Ų35.729%0.29318%0.182SC..THydrogen-bonded Turntrans-97.5-22.6-175.9-59.7-175.2000113.4P152 G153 W192 I306 T310P152-L155 PolarHBondContact O-N 3.38Å; P152-L155 VanDerWaalsContact O-N 3.09Å; G153-L155 VanDerWaalsContact C-N 3.29Å; L155-W192 HydrophobicContact CD1-CH2 3.59Å; L155-W192 HydrophobicContact CD1-CZ3 4.23Å; L155-W192 HydrophobicContact CD2-CH2 4.37Å; L155-W192 HydrophobicContact CG-CH2 3.73Å; L155-W192 HydrophobicContact CG-CZ2 4.33Å; L155-I306 HydrophobicContact CD1-CG2 3.71Å; L155-T310 HydrophobicContact CB-CG2 3.73Å; L155-T310 HydrophobicContact CD1-CG2 4.21Å
156Q87.7Confident93.7Very high96 Ų9635.5 Ų35.545%0.44918%0.181SC..SBendtrans-152.4166-171.564.7-178.51000112M158Q156-M158 PolarHBondContact O-N 2.82Å
157Y88.8Confident93.6Very high158 Ų15836.1 Ų36.162%0.6218%0.184SC*.  trans-57.9124.6171.6-178.8-90.5000110.2F159 V161Y157-F159 PolarHBondContact OH-O 3.42Å; Y157-V161 HydrophobicContact CE2-CG2 4.31Å
158M86.9Confident93.5Very high43 Ų4338 Ų3821%0.21220%0.199CC..  trans-146.2129.4177.6-174.6175.7-71.900109.3P152 Q156 N160 Y163P152-M158 HydrophobicContact CB-CE 4.08Å; Q156-M158 PolarHBondContact O-N 2.82Å; M158-N160 VanDerWaalsContact C-N 3.28Å; M158-N160 PolarHBondContact O-N 2.87Å; M158-Y163 HydrophobicContact CB-CD1 4.16Å; M158-Y163 HydrophobicContact CB-CE1 4.02Å; M158-Y163 HydrophobicContact CG-CD1 4.33Å; M158-Y163 HydrophobicContact CG-CE1 3.86Å; M158-Y163 VanDerWaalsContact O-CD1 3.22Å; M158-Y163 WeakPolarHBondContact O-CD1 3.1Å; M158-Y163 HydrophobicContact SD-CE1 3.82Å
159F89.1Confident93.5Very high111 Ų11139.5 Ų39.549%0.48721%0.212SC..SBendtrans60.4-71.7-176.8-51.7-48.2000115.4I100 Y157 Y163I100-F159 HydrophobicContact CG2-CB 3.81Å; I100-F159 HydrophobicContact CG2-CG 4.2Å; Y157-F159 PolarHBondContact OH-O 3.42Å; F159-Y163 HydrophobicContact CB-CD1 4.43Å; F159-Y163 HydrophobicContact CB-CG 4.48Å; F159-Y163 AromaticContact CD2-CD1 3.73Å; F159-Y163 HydrophobicContact CD2-CD1 3.73Å; F159-Y163 HydrophobicContact CD2-CD2 4.13Å; F159-Y163 AromaticContact CD2-CE1 3.57Å; F159-Y163 HydrophobicContact CD2-CE1 3.57Å; F159-Y163 AromaticContact CD2-CE2 3.99Å; F159-Y163 HydrophobicContact CD2-CE2 3.99Å; F159-Y163 AromaticContact CD2-CG 4Å; F159-Y163 HydrophobicContact CD2-CG 4Å; F159-Y163 AromaticContact CD2-CZ 3.69Å; F159-Y163 AromaticContact CE2-CE1 3.94Å; F159-Y163 HydrophobicContact CE2-CE1 3.94Å; F159-Y163 HydrophobicContact CE2-CE2 4.26Å; F159-Y163 AromaticContact CE2-CZ 3.77Å
160N91.6Very high93.5Very high14 Ų1438.9 Ų38.98%0.07521%0.208CC..SBendtrans-154.5172.4178.766.619.2000111.5M158 P162 Y163 G164M158-N160 VanDerWaalsContact C-N 3.28Å; M158-N160 PolarHBondContact O-N 2.87Å; N160-P162 WeakPolarHBondContact OD1-CD 3.49Å; N160-Y163 PolarHBondContact O-N 3.25Å; N160-Y163 WeakPolarHBondContact OD1-CB 3.31Å; N160-Y163 PolarHBondContact OD1-N 3.37Å; N160-G164 PolarHBondContact O-N 2.58Å
161V95.9Very high93.6Very high59 Ų5939.8 Ų39.836%0.35821%0.213SC..Hα-helixtrans-59.6-51.6-176.4174.40000112.5F108 Y157 Y163 G164 V165F108-V161 HydrophobicContact CB-CB 4.07Å; F108-V161 HydrophobicContact CB-CG2 3.83Å; F108-V161 HydrophobicContact CD1-CG2 3.96Å; F108-V161 HydrophobicContact CG-CG2 4.12Å; Y157-V161 HydrophobicContact CE2-CG2 4.31Å; V161-Y163 VanDerWaalsContact C-N 3.3Å; V161-Y163 PolarHBondContact O-N 3.34Å; V161-G164 PolarHBondContact O-N 2.59Å; V161-V165 HydrophobicContact CG1-CG2 4.22Å; V161-V165 WeakPolarHBondContact O-CG2 3.14Å; V161-V165 PolarHBondContact O-N 3.23Å; V161-V165 VanDerWaalsContact O-N 3.09Å
162P96.7Very high93.9Very high13 Ų1344.8 Ų44.88%0.08423%0.233CC..Hα-helixtrans-62.4-34.5-178.3-23.233.9000113.7M115 W116 I119 N120 N160 G166M115-P162 HydrophobicContact CG-CG 4.42Å; W116-P162 HydrophobicContact CE3-CB 4.01Å; W116-P162 HydrophobicContact CE3-CG 4.43Å; I119-P162 HydrophobicContact CB-CB 4.26Å; I119-P162 HydrophobicContact CD1-CB 3.73Å; I119-P162 HydrophobicContact CD1-CG 4.28Å; I119-P162 HydrophobicContact CG2-CB 4.26Å; N120-P162 PolarHBondContact ND2-O 3.28Å; N160-P162 WeakPolarHBondContact OD1-CD 3.49Å; P162-G166 PolarHBondContact O-N 2.82Å
163Y94.9Very high94.3Very high24 Ų2443.9 Ų43.99%0.09423%0.226CC..Hα-helixtrans-63.2-53.7176.6176.9-93000112Y94 I100 S151 M158 F159 N160 V161 V165 G166 K167Y94-Y163 WeakPolarHBondContact OH-CD2 3.35Å; I100-Y163 HydrophobicContact CD1-CD2 3.65Å; I100-Y163 HydrophobicContact CD1-CG 4.18Å; S151-Y163 WeakPolarHBondContact CB-OH 3.5Å; S151-Y163 PolarHBondContact OG-OH 3.19Å; M158-Y163 HydrophobicContact CB-CD1 4.16Å; M158-Y163 HydrophobicContact CB-CE1 4.02Å; M158-Y163 HydrophobicContact CG-CD1 4.33Å; M158-Y163 HydrophobicContact CG-CE1 3.86Å; M158-Y163 VanDerWaalsContact O-CD1 3.22Å; M158-Y163 WeakPolarHBondContact O-CD1 3.1Å; M158-Y163 HydrophobicContact SD-CE1 3.82Å; F159-Y163 HydrophobicContact CB-CD1 4.43Å; F159-Y163 HydrophobicContact CB-CG 4.48Å; F159-Y163 AromaticContact CD2-CD1 3.73Å; F159-Y163 HydrophobicContact CD2-CD1 3.73Å; F159-Y163 HydrophobicContact CD2-CD2 4.13Å; F159-Y163 AromaticContact CD2-CE1 3.57Å; F159-Y163 HydrophobicContact CD2-CE1 3.57Å; F159-Y163 AromaticContact CD2-CE2 3.99Å; F159-Y163 HydrophobicContact CD2-CE2 3.99Å; F159-Y163 AromaticContact CD2-CG 4Å; F159-Y163 HydrophobicContact CD2-CG 4Å; F159-Y163 AromaticContact CD2-CZ 3.69Å; F159-Y163 AromaticContact CE2-CE1 3.94Å; F159-Y163 HydrophobicContact CE2-CE1 3.94Å; F159-Y163 HydrophobicContact CE2-CE2 4.26Å; F159-Y163 AromaticContact CE2-CZ 3.77Å; N160-Y163 PolarHBondContact O-N 3.25Å; N160-Y163 WeakPolarHBondContact OD1-CB 3.31Å; N160-Y163 PolarHBondContact OD1-N 3.37Å; V161-Y163 VanDerWaalsContact C-N 3.3Å; V161-Y163 PolarHBondContact O-N 3.34Å; Y163-V165 PolarHBondContact O-N 2.9Å; Y163-G166 PolarHBondContact O-N 3.34Å; Y163-K167 HydrophobicContact CD1-CG 4.43Å; Y163-K167 HydrophobicContact CD2-CG 4.46Å; Y163-K167 HydrophobicContact CE1-CG 4.06Å; Y163-K167 HydrophobicContact CE2-CG 4.12Å; Y163-K167 WeakPolarHBondContact O-CG 3.43Å; Y163-K167 PolarHBondContact O-N 3.44Å
164G94.2Very high94.7Very high11 Ų1144 Ų4411%0.11323%0.227CC..Hα-helixtrans-60.9-46.8-17800000111.6G153 N160 V161 G166 K167 A168G153-G164 WeakPolarHBondContact O-CA 3.31Å; N160-G164 PolarHBondContact O-N 2.58Å; V161-G164 PolarHBondContact O-N 2.59Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.7Å; G164-K167 PolarHBondContact O-N 3.19Å; G164-A168 WeakPolarHBondContact O-CB 3.04Å; G164-A168 PolarHBondContact O-N 3.05Å
165V97.6Very high95Very high69 Ų6944.8 Ų44.842%0.41824%0.235SC..Hα-helixtrans-60.5-44.7175.8177.70000111.1W116 V161 Y163 K167 A168 A169W116-V165 HydrophobicContact CH2-CB 4.31Å; W116-V165 HydrophobicContact CH2-CG1 3.6Å; W116-V165 HydrophobicContact CZ3-CB 4.11Å; W116-V165 HydrophobicContact CZ3-CG1 3.87Å; V161-V165 HydrophobicContact CG1-CG2 4.22Å; V161-V165 WeakPolarHBondContact O-CG2 3.14Å; V161-V165 PolarHBondContact O-N 3.23Å; V161-V165 VanDerWaalsContact O-N 3.09Å; Y163-V165 PolarHBondContact O-N 2.9Å; V165-K167 VanDerWaalsContact C-N 3.35Å; V165-K167 PolarHBondContact O-N 2.67Å; V165-A168 PolarHBondContact O-N 2.98Å; V165-A169 WeakPolarHBondContact O-CB 2.99Å; V165-A169 PolarHBondContact O-N 3.03Å
166G97.4Very high95.4Very high1 Ų145.6 Ų45.61%0.0124%0.239CC..Hα-helixtrans-59.4-42.5177.900000113.2N120 P162 Y163 G164 A169 C170N120-G166 WeakPolarHBondContact OD1-CA 3.17Å; P162-G166 PolarHBondContact O-N 2.82Å; Y163-G166 PolarHBondContact O-N 3.34Å; G164-G166 VanDerWaalsContact C-N 3.35Å; G164-G166 PolarHBondContact O-N 2.7Å; G166-A169 PolarHBondContact O-N 2.99Å; G166-C170 PolarHBondContact O-N 3.18Å; G166-C170 PolarHBondContact O-SG 2.94Å
167K96.4Very high95.9Very high15 Ų1542.1 Ų42.17%0.06523%0.225CC..Hα-helixtrans-73.7-37.2179.2-68.8-75.6163.1-89.60112.4S150 S154 Y163 G164 V165 A169 C170 D171S150-K167 PolarHBondContact OG-O 3.25Å; S154-K167 WeakPolarHBondContact CB-O 3.49Å; Y163-K167 HydrophobicContact CD1-CG 4.43Å; Y163-K167 HydrophobicContact CD2-CG 4.46Å; Y163-K167 HydrophobicContact CE1-CG 4.06Å; Y163-K167 HydrophobicContact CE2-CG 4.12Å; Y163-K167 WeakPolarHBondContact O-CG 3.43Å; Y163-K167 PolarHBondContact O-N 3.44Å; G164-K167 PolarHBondContact O-N 3.19Å; V165-K167 VanDerWaalsContact C-N 3.35Å; V165-K167 PolarHBondContact O-N 2.67Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.48Å; K167-C170 WeakPolarHBondContact O-CB 3.19Å; K167-C170 PolarHBondContact O-N 3.4Å; K167-D171 PolarHBondContact O-N 2.86Å; K167-D171 VanDerWaalsContact O-N 3.08Å
168A97Very high96.4Very high39 Ų3934.6 Ų34.632%0.32220%0.196SC..Hα-helixtrans-58.8-45.117000000111.2G164 V165 D171 K172G164-A168 WeakPolarHBondContact O-CB 3.04Å; G164-A168 PolarHBondContact O-N 3.05Å; V165-A168 PolarHBondContact O-N 2.98Å; A168-D171 PolarHBondContact O-N 2.91Å; A168-K172 PolarHBondContact O-N 2.81Å; A168-K172 VanDerWaalsContact O-N 3.07Å
169A98.4Very high97Very high32 Ų3239.7 Ų39.726%0.26422%0.219SC..Hα-helixtrans-65.7-36.7176.400000112.6L124 V165 G166 K167 K172 L173L124-A169 HydrophobicContact CD1-CB 3.58Å; L124-A169 HydrophobicContact CD2-CB 3.6Å; L124-A169 HydrophobicContact CG-CB 4.24Å; V165-A169 WeakPolarHBondContact O-CB 2.99Å; V165-A169 PolarHBondContact O-N 3.03Å; G166-A169 PolarHBondContact O-N 2.99Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 3.48Å; A169-K172 PolarHBondContact O-N 2.87Å; A169-L173 WeakPolarHBondContact O-CB 3.18Å; A169-L173 PolarHBondContact O-N 3.41Å
170C98.4Very high97.4Very high0 Ų041.1 Ų41.10%023%0.227CC..Hα-helixtrans-61.4-44.5174.3-71.30000112.4V148 G166 K167 L173 A174V148-C170 HydrophobicContact CG2-CB 3.94Å; G166-C170 PolarHBondContact O-N 3.18Å; G166-C170 PolarHBondContact O-SG 2.94Å; K167-C170 WeakPolarHBondContact O-CB 3.19Å; K167-C170 PolarHBondContact O-N 3.4Å; C170-L173 WeakPolarHBondContact O-CB 3.19Å; C170-L173 PolarHBondContact O-N 3.46Å; C170-A174 PolarHBondContact O-N 3.03Å; C170-A174 VanDerWaalsContact O-N 3.08Å
171D98.4Very high97.8Very high22 Ų2241.1 Ų41.112%0.11823%0.227CC..Hα-helixtrans-65.3-42177.8-78.71.8000111.6S150 S154 K167 A168 A174 A175 S190 W192S150-D171 WeakPolarHBondContact CB-OD1 3.37Å; S150-D171 PolarHBondContact OG-OD1 3.22Å; S154-D171 WeakPolarHBondContact CB-OD2 3.26Å; S154-D171 PolarHBondContact OG-OD2 3Å; K167-D171 PolarHBondContact O-N 2.86Å; K167-D171 VanDerWaalsContact O-N 3.08Å; A168-D171 PolarHBondContact O-N 2.91Å; D171-A174 PolarHBondContact O-N 2.76Å; D171-A175 PolarHBondContact O-N 3.27Å; D171-S190 WeakPolarHBondContact OD1-CB 3.39Å; D171-S190 PolarHBondContact OD1-OG 2.84Å; D171-W192 PolarHBondContact OD1-NE1 2.97Å; D171-W192 WeakPolarHBondContact OD2-CZ2 3.34Å; D171-W192 PolarHBondContact OD2-NE1 3.42Å
172K98.6Very high97.9Very high116 Ų11643.7 Ų43.750%0.50423%0.23SC..Hα-helixtrans-65.9-40.3176.4-169.559162.474.30112.1A168 A169 A174 A175 D176A168-K172 PolarHBondContact O-N 2.81Å; A168-K172 VanDerWaalsContact O-N 3.07Å; A169-K172 PolarHBondContact O-N 2.87Å; K172-A174 VanDerWaalsContact C-N 3.33Å; K172-A174 PolarHBondContact O-N 3.5Å; K172-A175 PolarHBondContact O-N 2.9Å; K172-D176 IonicContact NZ-OD1 3.16Å; K172-D176 PolarHBondContact NZ-OD1 2.9Å; K172-D176 IonicContact NZ-OD2 2.8Å; K172-D176 PolarHBondContact NZ-OD2 3.1Å; K172-D176 PolarHBondContact O-N 3.39Å
173L98.7Very high98Very high23 Ų2353.3 Ų53.312%0.1227%0.265CS..Hα-helixtrans-55.9-48.1174.2173.964.5000111H127 Y128 A169 C170 A175 C177H127-L173 HydrophobicContact CB-CD2 4.1Å; Y128-L173 HydrophobicContact CD2-CD1 3.78Å; A169-L173 WeakPolarHBondContact O-CB 3.18Å; A169-L173 PolarHBondContact O-N 3.41Å; C170-L173 WeakPolarHBondContact O-CB 3.19Å; C170-L173 PolarHBondContact O-N 3.46Å; L173-A175 PolarHBondContact O-N 3.38Å; L173-C177 VanDerWaalsContact O-CB 3.31Å; L173-C177 WeakPolarHBondContact O-CB 3.47Å; L173-C177 PolarHBondContact O-N 2.85Å; L173-C177 PolarHBondContact O-SG 3.36Å; L173-C177 VanDerWaalsContact O-SG 3.38Å
174A98.8Very high98.1Very high2 Ų255.2 Ų55.22%0.01728%0.275CS..Hα-helixtrans-62.3-43.4177.100000112.5V148 C170 D171 K172 A178 Y188V148-A174 HydrophobicContact CG1-CB 3.74Å; C170-A174 PolarHBondContact O-N 3.03Å; C170-A174 VanDerWaalsContact O-N 3.08Å; D171-A174 PolarHBondContact O-N 2.76Å; K172-A174 VanDerWaalsContact C-N 3.33Å; K172-A174 PolarHBondContact O-N 3.5Å; A174-A178 WeakPolarHBondContact O-CB 3.27Å; A174-A178 PolarHBondContact O-N 3.04Å; A174-Y188 HydrophobicContact CB-CD2 3.57Å; A174-Y188 HydrophobicContact CB-CE2 3.62Å; A174-Y188 HydrophobicContact CB-CG 4.38Å
175A98.8Very high98.3Very high37 Ų3756 Ų5631%0.30628%0.283SS..Hα-helixtrans-64-45.1-179.700000112.5D171 K172 L173 A178 H179D171-A175 PolarHBondContact O-N 3.27Å; K172-A175 PolarHBondContact O-N 2.9Å; L173-A175 PolarHBondContact O-N 3.38Å; A175-A178 PolarHBondContact O-N 3.33Å; A175-H179 PolarHBondContact O-N 2.87Å; A175-H179 VanDerWaalsContact O-N 3.08Å
176D98.9Very high98.4Very high73 Ų7352.8 Ų52.839%0.3926%0.263SS..Hα-helixtrans-72.7-45.6-177.5-70.4-7.3000111.7K172 A178 H179 E180K172-D176 IonicContact NZ-OD1 3.16Å; K172-D176 PolarHBondContact NZ-OD1 2.9Å; K172-D176 IonicContact NZ-OD2 2.8Å; K172-D176 PolarHBondContact NZ-OD2 3.1Å; K172-D176 PolarHBondContact O-N 3.39Å; D176-A178 VanDerWaalsContact C-N 3.29Å; D176-A178 PolarHBondContact O-N 2.69Å; D176-H179 WeakPolarHBondContact O-CB 3.48Å; D176-H179 PolarHBondContact O-N 2.79Å; D176-H179 VanDerWaalsContact O-N 3.11Å; D176-E180 PolarHBondContact O-N 2.94Å
177C98.9Very high98.5Very high23 Ų2352.7 Ų52.716%0.15526%0.262CS..Hα-helixtrans-63.2-38.6174.9-68.40000111.1L173 H179 E180 L181 Y188L173-C177 VanDerWaalsContact O-CB 3.31Å; L173-C177 WeakPolarHBondContact O-CB 3.47Å; L173-C177 PolarHBondContact O-N 2.85Å; L173-C177 PolarHBondContact O-SG 3.36Å; L173-C177 VanDerWaalsContact O-SG 3.38Å; C177-H179 VanDerWaalsContact C-N 3.27Å; C177-H179 PolarHBondContact O-N 2.57Å; C177-E180 PolarHBondContact O-N 2.8Å; C177-L181 HydrophobicContact CB-CD1 4.28Å; C177-L181 WeakPolarHBondContact O-CB 3.45Å; C177-L181 WeakPolarHBondContact O-CD1 3.41Å; C177-L181 WeakPolarHBondContact O-CG 3.49Å; C177-L181 PolarHBondContact O-N 3.24Å; C177-Y188 HydrophobicContact CB-CD1 3.28Å; C177-Y188 HydrophobicContact CB-CE1 3.61Å; C177-Y188 HydrophobicContact CB-CG 4.23Å
178A98.9Very high98.6Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-58.5-38.5173.400000112.7A174 A175 D176 R182 S249 G250A174-A178 WeakPolarHBondContact O-CB 3.27Å; A174-A178 PolarHBondContact O-N 3.04Å; A175-A178 PolarHBondContact O-N 3.33Å; D176-A178 VanDerWaalsContact C-N 3.29Å; D176-A178 PolarHBondContact O-N 2.69Å; A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 2.97Å; A178-S249 WeakPolarHBondContact CB-OG 3.15Å; A178-G250 VanDerWaalsContact CB-N 3.26Å
179H98.8Very high98.7Very high150 Ų15050.1 Ų50.169%0.69424%0.244SC*.Hα-helixtrans-61.4-49.6177.5173.5-88000111.2A175 D176 C177A175-H179 PolarHBondContact O-N 2.87Å; A175-H179 VanDerWaalsContact O-N 3.08Å; D176-H179 WeakPolarHBondContact O-CB 3.48Å; D176-H179 PolarHBondContact O-N 2.79Å; D176-H179 VanDerWaalsContact O-N 3.11Å; C177-H179 VanDerWaalsContact C-N 3.27Å; C177-H179 PolarHBondContact O-N 2.57Å
180E98.8Very high98.7Very high141 Ų14148.7 Ų48.766%0.65923%0.232SC*.Hα-helixtrans-68-38.5179.2-65.2-174-177.400113D176 C177D176-E180 PolarHBondContact O-N 2.94Å; C177-E180 PolarHBondContact O-N 2.8Å
181L98.8Very high98.7Very high14 Ų1448.7 Ų48.77%0.07323%0.232CC..Hα-helixtrans-77.3-21.4-175.7-72.4172.2000113.8A135 V139 I146 C177 R183 H184 G185 V186 Y188A135-L181 HydrophobicContact CB-CD2 4.13Å; V139-L181 HydrophobicContact CG2-CD2 3.58Å; I146-L181 HydrophobicContact CD1-CD1 3.99Å; C177-L181 HydrophobicContact CB-CD1 4.28Å; C177-L181 WeakPolarHBondContact O-CB 3.45Å; C177-L181 WeakPolarHBondContact O-CD1 3.41Å; C177-L181 WeakPolarHBondContact O-CG 3.49Å; C177-L181 PolarHBondContact O-N 3.24Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.25Å; L181-H184 CarbonylContact O-C 3.36Å; L181-H184 WeakPolarHBondContact O-CA 3.28Å; L181-H184 WeakPolarHBondContact O-CB 3.31Å; L181-H184 PolarHBondContact O-N 3.36Å; L181-G185 PolarHBondContact O-N 3.12Å; L181-V186 HydrophobicContact CB-CB 4.04Å; L181-V186 HydrophobicContact CB-CG1 4.41Å; L181-V186 HydrophobicContact CD1-CG1 4Å; L181-V186 HydrophobicContact CD2-CB 4.15Å; L181-V186 HydrophobicContact CD2-CG1 4.26Å; L181-V186 HydrophobicContact CG-CB 4.46Å; L181-V186 HydrophobicContact CG-CG1 4.46Å; L181-V186 PolarHBondContact O-N 2.97Å; L181-Y188 HydrophobicContact CD1-CD1 4.23Å
182R98.3Very high98.5Very high112 Ų11248.4 Ų48.442%0.42323%0.229SC..G310 helixtrans-54.5-43.7-173.3-175.7178.4-60.8-75.3-2.6113.1A178 H184 G185 L246 S249A178-R182 WeakPolarHBondContact O-CB 3.27Å; A178-R182 PolarHBondContact O-N 2.97Å; R182-H184 PolarHBondContact O-N 2.92Å; R182-G185 PolarHBondContact O-N 3.31Å; R182-L246 PolarHBondContact NH1-O 3.43Å; R182-L246 VanDerWaalsContact NH1-O 3.15Å; R182-S249 PolarHBondContact NH2-O 2.9Å
183R98.3Very high98.1Very high216 Ų21643.4 Ų43.482%0.81521%0.208SC*.G310 helixtrans-67.1-16-18071.4-178.9-178-179.5-2.4113.4L181L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 3.25Å
184H98.6Very high97.1Very high64 Ų6443.1 Ų43.130%0.29621%0.212SC..G310 helixtrans-101.28.6179.3-59.2-72.5000112.6V139 G142 L181 R182 V186V139-H184 HydrophobicContact CG1-CB 4.07Å; V139-H184 HydrophobicContact CG2-CB 4.22Å; G142-H184 CarbonylContact C-O 3.59Å; G142-H184 VanDerWaalsContact CA-O 3.25Å; G142-H184 WeakPolarHBondContact CA-O 3.41Å; L181-H184 CarbonylContact O-C 3.36Å; L181-H184 WeakPolarHBondContact O-CA 3.28Å; L181-H184 WeakPolarHBondContact O-CB 3.31Å; L181-H184 PolarHBondContact O-N 3.36Å; R182-H184 PolarHBondContact O-N 2.92Å; H184-V186 PolarHBondContact O-N 3.17Å
185G98.4Very high95.9Very high28 Ų2845.9 Ų45.929%0.28923%0.225SC..THydrogen-bonded Turntrans71.48.2178.900000114.9L181 R182L181-G185 PolarHBondContact O-N 3.12Å; R182-G185 PolarHBondContact O-N 3.31Å
186V98.8Very high94.9Very high0 Ų044.5 Ų44.50%021%0.213CC..EExtended strand (participates in β ladder)trans-94.2132.7177.5-178.10000109.4M138 V139 L181 H184M138-V186 HydrophobicContact CB-CG1 4.1Å; M138-V186 HydrophobicContact CB-CG2 3.81Å; M138-V186 HydrophobicContact SD-CG1 3.93Å; V139-V186 HydrophobicContact CG2-CG2 4.32Å; L181-V186 HydrophobicContact CB-CB 4.04Å; L181-V186 HydrophobicContact CB-CG1 4.41Å; L181-V186 HydrophobicContact CD1-CG1 4Å; L181-V186 HydrophobicContact CD2-CB 4.15Å; L181-V186 HydrophobicContact CD2-CG1 4.26Å; L181-V186 HydrophobicContact CG-CB 4.46Å; L181-V186 HydrophobicContact CG-CG1 4.46Å; L181-V186 PolarHBondContact O-N 2.97Å; H184-V186 PolarHBondContact O-N 3.17Å
187S98.9Very high93.7Very high0 Ų042.8 Ų42.80%020%0.203CC..EExtended strand (participates in β ladder)trans-99.7141.5179.3-59.10000111G144 L145 I146 L246 S249G144-S187 PolarHBondContact O-N 3.05Å; L145-S187 CarbonylContact C-O 3.6Å; L145-S187 WeakPolarHBondContact CA-O 3.43Å; I146-S187 PolarHBondContact N-O 3.38Å; S187-L246 WeakPolarHBondContact OG-CA 3.37Å; S187-L246 WeakPolarHBondContact OG-CD1 3.36Å; S187-L246 PolarHBondContact OG-N 2.68Å; S187-S249 WeakPolarHBondContact CA-OG 3.31Å
188Y98.9Very high92.8Very high0 Ų042.7 Ų42.70%020%0.201CC..EExtended strand (participates in β ladder)trans-129.1124.1169.3-158.3146.6000108.7N91 S131 I146 V148 A174 C177 L181 S249 G250N91-Y188 PolarHBondContact ND2-OH 2.92Å; S131-Y188 PolarHBondContact OG-OH 3.08Å; I146-Y188 HydrophobicContact CB-CD1 3.74Å; I146-Y188 HydrophobicContact CB-CD2 3.95Å; I146-Y188 HydrophobicContact CB-CE1 4.03Å; I146-Y188 HydrophobicContact CB-CE2 4.2Å; I146-Y188 HydrophobicContact CB-CG 3.72Å; I146-Y188 HydrophobicContact CD1-CD1 3.95Å; I146-Y188 HydrophobicContact CD1-CE1 4.22Å; I146-Y188 HydrophobicContact CG1-CD1 4.38Å; I146-Y188 HydrophobicContact CG2-CD1 3.79Å; I146-Y188 HydrophobicContact CG2-CD2 3.93Å; I146-Y188 HydrophobicContact CG2-CE1 3.53Å; I146-Y188 HydrophobicContact CG2-CE2 3.64Å; I146-Y188 HydrophobicContact CG2-CG 4.02Å; I146-Y188 VanDerWaalsContact CG2-CZ 3.44Å; I146-Y188 CarbonylContact O-C 3.58Å; I146-Y188 VanDerWaalsContact O-CA 3.27Å; I146-Y188 WeakPolarHBondContact O-CA 3.49Å; I146-Y188 WeakPolarHBondContact O-CD2 3.31Å; V148-Y188 HydrophobicContact CB-CE2 3.88Å; V148-Y188 HydrophobicContact CG1-CE2 3.88Å; A174-Y188 HydrophobicContact CB-CD2 3.57Å; A174-Y188 HydrophobicContact CB-CE2 3.62Å; A174-Y188 HydrophobicContact CB-CG 4.38Å; C177-Y188 HydrophobicContact CB-CD1 3.28Å; C177-Y188 HydrophobicContact CB-CE1 3.61Å; C177-Y188 HydrophobicContact CB-CG 4.23Å; L181-Y188 HydrophobicContact CD1-CD1 4.23Å; Y188-S249 PolarHBondContact N-OG 2.93Å; Y188-S249 VanDerWaalsContact N-OG 3.1Å; Y188-G250 PolarHBondContact O-N 3.24Å
189V98.9Very high91.8Very high0 Ų045.2 Ų45.20%021%0.213CC..EExtended strand (participates in β ladder)trans-124.3153.1177.2-57.10000112.2L145 I146 V147 V148 L239 L248 L253L145-V189 HydrophobicContact CD1-CG1 4.48Å; L145-V189 HydrophobicContact CD1-CG2 4.1Å; I146-V189 PolarHBondContact O-N 2.99Å; V147-V189 WeakPolarHBondContact CA-O 3.34Å; V147-V189 HydrophobicContact CB-CG2 4.42Å; V147-V189 HydrophobicContact CG1-CG2 4.31Å; V147-V189 HydrophobicContact CG2-CG2 3.96Å; V148-V189 PolarHBondContact N-O 2.96Å; V189-L239 HydrophobicContact CG2-CD1 4.21Å; V189-L248 HydrophobicContact CG1-CB 4.36Å; V189-L253 HydrophobicContact CB-CD1 3.7Å; V189-L253 HydrophobicContact CB-CG 4.33Å; V189-L253 HydrophobicContact CG1-CD1 3.77Å; V189-L253 HydrophobicContact CG2-CD1 4.01Å
190S98.7Very high90.7Very high1 Ų139.6 Ų39.61%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-99.2116.7166.3176.80000108.9S150 D171 K251 V252 L253S150-S190 WeakPolarHBondContact CB-OG 3.34Å; D171-S190 WeakPolarHBondContact OD1-CB 3.39Å; D171-S190 PolarHBondContact OD1-OG 2.84Å; S190-K251 PolarHBondContact N-O 3.4Å; S190-V252 CarbonylContact O-C 3.58Å; S190-V252 WeakPolarHBondContact O-CA 3.46Å; S190-L253 PolarHBondContact O-N 3.41Å
191L98.4Very high89.5Confident0 Ų034.7 Ų34.70%017%0.166CC..EExtended strand (participates in β ladder)trans-93.7125.9176.1179.570.3000108.8V147 V148 I149 S150 P193 C235 V236 L253 L258V147-L191 HydrophobicContact CG1-CB 3.67Å; V147-L191 HydrophobicContact CG1-CD2 4.37Å; V148-L191 PolarHBondContact O-N 2.71Å; I149-L191 HydrophobicContact CD1-CB 4.13Å; I149-L191 HydrophobicContact CD1-CD2 3.82Å; I149-L191 HydrophobicContact CD1-CG 4.35Å; S150-L191 PolarHBondContact N-O 3.26Å; L191-P193 WeakPolarHBondContact O-CD 3.38Å; L191-C235 HydrophobicContact CD1-CB 4.2Å; L191-C235 HydrophobicContact CD2-CB 4.47Å; L191-V236 HydrophobicContact CD2-CG2 4.01Å; L191-L253 WeakPolarHBondContact CD1-O 3.38Å; L191-L258 HydrophobicContact CD1-CD1 3.52Å
192W95.6Very high88.4Confident16 Ų1639 Ų396%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-10397170.9-70.18.7000108.8P152 S154 L155 D171 V252 L253 S255 Y275P152-W192 HydrophobicContact CB-CE3 4.43Å; P152-W192 HydrophobicContact CB-CZ3 4.21Å; P152-W192 HydrophobicContact CG-CE3 3.86Å; P152-W192 HydrophobicContact CG-CZ3 4.1Å; S154-W192 WeakPolarHBondContact OG-CZ2 3.43Å; L155-W192 HydrophobicContact CD1-CH2 3.59Å; L155-W192 HydrophobicContact CD1-CZ3 4.23Å; L155-W192 HydrophobicContact CD2-CH2 4.37Å; L155-W192 HydrophobicContact CG-CH2 3.73Å; L155-W192 HydrophobicContact CG-CZ2 4.33Å; D171-W192 PolarHBondContact OD1-NE1 2.97Å; D171-W192 WeakPolarHBondContact OD2-CZ2 3.34Å; D171-W192 PolarHBondContact OD2-NE1 3.42Å; W192-V252 HydrophobicContact CD2-CG1 3.4Å; W192-V252 VanDerWaalsContact CD2-CG1 3.4Å; W192-V252 HydrophobicContact CE3-CG1 3.83Å; W192-V252 HydrophobicContact CG-CG1 3.86Å; W192-V252 HydrophobicContact CH2-CG1 3.82Å; W192-V252 HydrophobicContact CZ2-CB 4.26Å; W192-V252 HydrophobicContact CZ2-CG1 3.41Å; W192-V252 VanDerWaalsContact CZ2-CG1 3.41Å; W192-V252 HydrophobicContact CZ2-CG2 3.9Å; W192-V252 HydrophobicContact CZ3-CG1 4.04Å; W192-L253 PolarHBondContact N-O 3.12Å; W192-S255 PolarHBondContact O-N 2.86Å; W192-S255 PolarHBondContact O-OG 3.37Å; W192-Y275 PolarHBondContact O-OH 3.47Å
193P88.1Confident87.2Confident11 Ų1139.3 Ų39.37%0.07119%0.19CC..  trans-65.3148.7164.629.9-33000109.3I19 I149 S150 L191 V196 S232I19-P193 HydrophobicContact CD1-CB 4.38Å; I19-P193 HydrophobicContact CD1-CG 3.87Å; I149-P193 HydrophobicContact CG2-CG 3.82Å; S150-P193 WeakPolarHBondContact O-CD 3.4Å; L191-P193 WeakPolarHBondContact O-CD 3.38Å; P193-V196 HydrophobicContact CB-CG2 3.7Å; P193-V196 HydrophobicContact CG-CG2 4.44Å; P193-S232 WeakPolarHBondContact CB-OG 3.37Å
194G78.4Confident85.8Confident18 Ų1829.7 Ų29.719%0.18616%0.155CC..  trans-66.6-159.8173.200000111.7V196 E227 S255G194-V196 WeakPolarHBondContact O-CG2 3.22Å; G194-V196 PolarHBondContact O-N 2.88Å; G194-V196 VanDerWaalsContact O-N 3.1Å; G194-E227 PolarHBondContact N-OE2 2.97Å; G194-S255 PolarHBondContact N-OG 3.22Å
195I74.1Confident84.4Confident60 Ų6027.7 Ų27.731%0.30815%0.146SC..SBendtrans-65.1117.7165.4-62.3170.5000106.5F219 I222 F223 A226 E227I195-F219 HydrophobicContact CD1-CD2 4.44Å; I195-F219 HydrophobicContact CD1-CE2 3.72Å; I195-F219 HydrophobicContact CD1-CZ 3.89Å; I195-F219 HydrophobicContact CG1-CE2 4.38Å; I195-F219 HydrophobicContact CG1-CZ 4.18Å; I195-F219 HydrophobicContact CG2-CE1 4.17Å; I195-F219 HydrophobicContact CG2-CZ 3.95Å; I195-I222 HydrophobicContact CD1-CG2 3.65Å; I195-F223 HydrophobicContact CG2-CD2 3.99Å; I195-A226 HydrophobicContact CB-CB 4.21Å; I195-A226 HydrophobicContact CG2-CB 3.85Å; I195-A226 WeakPolarHBondContact O-CA 3.43Å; I195-A226 WeakPolarHBondContact O-CB 3.49Å; I195-E227 PolarHBondContact O-N 3.42Å
196V77.2Confident82.9Confident7 Ų730.1 Ų30.14%0.04216%0.163CC..BIsolated β-bridgetrans-105.3136.4-178.2-176.50000110.4I19 P193 G194 T198 L201 E227 T229I19-V196 HydrophobicContact CD1-CB 4.16Å; I19-V196 HydrophobicContact CD1-CG1 4.47Å; I19-V196 HydrophobicContact CD1-CG2 3.88Å; I19-V196 HydrophobicContact CG1-CB 4.06Å; I19-V196 HydrophobicContact CG1-CG1 3.82Å; I19-V196 HydrophobicContact CG1-CG2 3.96Å; P193-V196 HydrophobicContact CB-CG2 3.7Å; P193-V196 HydrophobicContact CG-CG2 4.44Å; G194-V196 WeakPolarHBondContact O-CG2 3.22Å; G194-V196 PolarHBondContact O-N 2.88Å; G194-V196 VanDerWaalsContact O-N 3.1Å; V196-T198 HydrophobicContact CB-CG2 4.29Å; V196-T198 HydrophobicContact CG1-CG2 4.06Å; V196-T198 PolarHBondContact O-N 3.42Å; V196-L201 WeakPolarHBondContact O-CD1 3.24Å; V196-E227 WeakPolarHBondContact CA-O 3.27Å; V196-T229 HydrophobicContact CG1-CG2 3.47Å; V196-T229 VanDerWaalsContact CG1-CG2 3.47Å
197Q74.4Confident81.5Confident38 Ų3835.7 Ų35.718%0.17819%0.188CC..  trans-76.465177-55.3-175.715.700112.8K202 F223 A226 E227Q197-K202 VanDerWaalsContact CB-CE 3.49Å; Q197-K202 WeakPolarHBondContact O-CE 3.39Å; Q197-F223 HydrophobicContact CB-CE1 4.47Å; Q197-F223 HydrophobicContact CB-CZ 4.03Å; Q197-F223 HydrophobicContact CG-CE1 4.3Å; Q197-F223 HydrophobicContact CG-CE2 4.41Å; Q197-F223 HydrophobicContact CG-CZ 4.14Å; Q197-F223 PolarHBondContact NE2-O 3.35Å; Q197-A226 HydrophobicContact CG-CB 3.55Å; Q197-A226 PolarHBondContact NE2-O 2.93Å; Q197-E227 PolarHBondContact N-O 3.49Å
198T78.8Confident79.5Confident21 Ų2143.3 Ų43.313%0.12922%0.223CC..  trans-70.6154.8175.165.90000111.3I19 V196 L200 L201 K202 T229I19-T198 HydrophobicContact CG1-CG2 4.33Å; V196-T198 HydrophobicContact CB-CG2 4.29Å; V196-T198 HydrophobicContact CG1-CG2 4.06Å; V196-T198 PolarHBondContact O-N 3.42Å; T198-L200 VanDerWaalsContact C-N 3.27Å; T198-L200 PolarHBondContact O-N 2.64Å; T198-L201 PolarHBondContact O-N 2.8Å; T198-L201 VanDerWaalsContact O-N 3.13Å; T198-L201 WeakPolarHBondContact OG1-CG 3.45Å; T198-L201 PolarHBondContact OG1-N 3.11Å; T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 3.38Å; T198-T229 HydrophobicContact CG2-CG2 4.34Å
199E78.4Confident77.6Confident53 Ų5350.1 Ų50.125%0.24826%0.255CS..Hα-helixtrans-55.5-44.2179.7-59.588.1161.100111G18 R21 L201 K202 E203G18-E199 VanDerWaalsContact CA-OE2 3.27Å; G18-E199 WeakPolarHBondContact CA-OE2 3.22Å; G18-E199 PolarHBondContact N-OE1 3.44Å; G18-E199 PolarHBondContact N-OE2 3.2Å; R21-E199 IonicContact NH1-OE1 2.76Å; R21-E199 PolarHBondContact NH1-OE1 2.94Å; R21-E199 VanDerWaalsContact NH1-OE1 3.16Å; E199-L201 PolarHBondContact O-N 3.3Å; E199-K202 PolarHBondContact O-N 3.08Å; E199-E203 WeakPolarHBondContact O-CB 3.25Å; E199-E203 WeakPolarHBondContact O-CG 3.17Å; E199-E203 PolarHBondContact O-N 3.42Å
200L75.1Confident75.5Confident31 Ų3150.3 Ų50.316%0.16226%0.256CS..Hα-helixtrans-61.7-41.3177.7-68.7174.5000112.9V97 T198 H204V97-L200 HydrophobicContact CB-CD1 4.01Å; V97-L200 HydrophobicContact CG1-CB 4.39Å; V97-L200 HydrophobicContact CG1-CD1 4.14Å; V97-L200 HydrophobicContact CG2-CD1 4.37Å; T198-L200 VanDerWaalsContact C-N 3.27Å; T198-L200 PolarHBondContact O-N 2.64Å; L200-H204 WeakPolarHBondContact O-CB 3.35Å; L200-H204 PolarHBondContact O-N 3.37Å
201L73.8Confident73.4Confident38 Ų3853.5 Ų53.520%0.19927%0.273CS..Hα-helixtrans-70.7-39.7176.7-70.5175.8000110.9V196 T198 E199 E203 H204 M205 F223V196-L201 WeakPolarHBondContact O-CD1 3.24Å; T198-L201 PolarHBondContact O-N 2.8Å; T198-L201 VanDerWaalsContact O-N 3.13Å; T198-L201 WeakPolarHBondContact OG1-CG 3.45Å; T198-L201 PolarHBondContact OG1-N 3.11Å; E199-L201 PolarHBondContact O-N 3.3Å; L201-E203 PolarHBondContact O-N 3.47Å; L201-H204 PolarHBondContact O-N 2.89Å; L201-M205 VanDerWaalsContact O-CB 3.32Å; L201-M205 WeakPolarHBondContact O-CB 3.34Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.09Å; L201-F223 HydrophobicContact CB-CE2 3.77Å; L201-F223 HydrophobicContact CB-CZ 3.94Å; L201-F223 HydrophobicContact CD1-CE2 4.37Å
202K75.6Confident71.4Confident105 Ų10562.1 Ų62.146%0.45731%0.31SS..Hα-helixtrans-58.9-48.6174.2-72-178.2-178.2-175.40111.6Q197 T198 E199 H204 M205 A206 F223Q197-K202 VanDerWaalsContact CB-CE 3.49Å; Q197-K202 WeakPolarHBondContact O-CE 3.39Å; T198-K202 WeakPolarHBondContact O-CG 3.49Å; T198-K202 PolarHBondContact O-N 3.38Å; E199-K202 PolarHBondContact O-N 3.08Å; K202-H204 VanDerWaalsContact C-N 3.35Å; K202-H204 PolarHBondContact O-N 2.91Å; K202-M205 PolarHBondContact O-N 3.25Å; K202-A206 PolarHBondContact O-N 2.9Å; K202-A206 VanDerWaalsContact O-N 3.12Å; K202-F223 HydrophobicContact CG-CE1 3.86Å; K202-F223 HydrophobicContact CG-CZ 3.84Å
203E73.6Confident69.7Low118 Ų11862.6 Ų62.655%0.55131%0.314SS*.Hα-helixtrans-61.2-42177.8-74.5170.9-164.700112E199 L201 A206E199-E203 WeakPolarHBondContact O-CB 3.25Å; E199-E203 WeakPolarHBondContact O-CG 3.17Å; E199-E203 PolarHBondContact O-N 3.42Å; L201-E203 PolarHBondContact O-N 3.47Å; E203-A206 PolarHBondContact O-N 2.91Å
204H70Confident68.4Low15 Ų1567 Ų677%0.06934%0.343CS..Hα-helixtrans-66.6-42.3177.4-166.380.1000112L101 L200 L201 K202 A206 K207 V210L101-H204 HydrophobicContact CD1-CB 4Å; L200-H204 WeakPolarHBondContact O-CB 3.35Å; L200-H204 PolarHBondContact O-N 3.37Å; L201-H204 PolarHBondContact O-N 2.89Å; K202-H204 VanDerWaalsContact C-N 3.35Å; K202-H204 PolarHBondContact O-N 2.91Å; H204-A206 PolarHBondContact O-N 2.92Å; H204-K207 WeakPolarHBondContact O-CB 3.5Å; H204-K207 PolarHBondContact O-N 3.16Å; H204-K207 VanDerWaalsContact O-N 3.13Å; H204-V210 WeakPolarHBondContact NE2-CG2 3.4Å; H204-V210 WeakPolarHBondContact O-CG2 3.28Å
205M67.5Low67.4Low21 Ų2170.9 Ų70.910%0.10336%0.363CS..Hα-helixtrans-68.9-16.9179.5-66.1-67.1-9100113.4L201 K202 K207 V210 F216 F219 K220 F223L201-M205 VanDerWaalsContact O-CB 3.32Å; L201-M205 WeakPolarHBondContact O-CB 3.34Å; L201-M205 WeakPolarHBondContact O-CG 3.35Å; L201-M205 PolarHBondContact O-N 3.09Å; K202-M205 PolarHBondContact O-N 3.25Å; M205-K207 VanDerWaalsContact C-N 3.34Å; M205-V210 HydrophobicContact SD-CG1 4.34Å; M205-F216 HydrophobicContact CE-CD1 4.42Å; M205-F216 HydrophobicContact SD-CD1 3.52Å; M205-F216 VanDerWaalsContact SD-CD1 3.52Å; M205-F216 HydrophobicContact SD-CE1 3.79Å; M205-F219 HydrophobicContact CE-CB 4.34Å; M205-F219 HydrophobicContact CE-CD1 3.71Å; M205-F219 HydrophobicContact SD-CD1 4.21Å; M205-K220 VanDerWaalsContact CE-CA 3.46Å; M205-K220 HydrophobicContact CE-CB 3.93Å; M205-K220 HydrophobicContact CE-CG 4.47Å; M205-F223 HydrophobicContact CE-CB 3.9Å; M205-F223 HydrophobicContact CE-CG 4.14Å
206A68.1Low66.7Low80 Ų8069.8 Ų69.866%0.66136%0.356SS*.THydrogen-bonded Turntrans-79.2-13.7173.700000113.4K202 E203 H204K202-A206 PolarHBondContact O-N 2.9Å; K202-A206 VanDerWaalsContact O-N 3.12Å; E203-A206 PolarHBondContact O-N 2.91Å; H204-A206 PolarHBondContact O-N 2.92Å
207K69.8Low65.9Low117 Ų11776.8 Ų76.851%0.50939%0.386SS..SBendtrans-80.1127.6-179.3-63.8-178.4179.8-174.70111.4H204 M205 E209 V210H204-K207 WeakPolarHBondContact O-CB 3.5Å; H204-K207 PolarHBondContact O-N 3.16Å; H204-K207 VanDerWaalsContact O-N 3.13Å; M205-K207 VanDerWaalsContact C-N 3.34Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.32Å; K207-V210 HydrophobicContact CB-CG2 4.11Å; K207-V210 WeakPolarHBondContact O-CB 3.32Å; K207-V210 PolarHBondContact O-N 3.1Å; K207-V210 VanDerWaalsContact O-N 3.08Å
208E56.4Low65.1Low160 Ų16080.3 Ų80.375%0.74840%0.402SS*.G310 helixtrans-59.8-33.9-176.5-70.1-170.6157.700114.1V210 L211E208-V210 PolarHBondContact O-N 3.18Å; E208-L211 WeakPolarHBondContact O-CB 3.21Å; E208-L211 PolarHBondContact O-N 3.14Å
209E58.4Low64.3Low142 Ų14281.5 Ų81.566%0.66441%0.406SS*.G310 helixtrans-65.3-16.4178.1-66.5-175.8159.700114.1R104 K207R104-E209 PolarHBondContact NH2-O 3.47Å; K207-E209 VanDerWaalsContact C-N 3.29Å; K207-E209 PolarHBondContact O-N 3.32Å
210V56.3Low63.5Low5 Ų584.3 Ų84.33%0.0342%0.417CS..G310 helixtrans-82.3-26.9175.9-1800000110.7H204 M205 K207 E208 K212 D213 F216H204-V210 WeakPolarHBondContact NE2-CG2 3.4Å; H204-V210 WeakPolarHBondContact O-CG2 3.28Å; M205-V210 HydrophobicContact SD-CG1 4.34Å; K207-V210 HydrophobicContact CB-CG2 4.11Å; K207-V210 WeakPolarHBondContact O-CB 3.32Å; K207-V210 PolarHBondContact O-N 3.1Å; K207-V210 VanDerWaalsContact O-N 3.08Å; E208-V210 PolarHBondContact O-N 3.18Å; V210-K212 VanDerWaalsContact C-N 3.25Å; V210-K212 PolarHBondContact O-N 3.09Å; V210-D213 PolarHBondContact O-N 3.17Å; V210-F216 HydrophobicContact CG1-CB 3.69Å; V210-F216 HydrophobicContact CG1-CD1 3.27Å; V210-F216 HydrophobicContact CG1-CD2 4.23Å; V210-F216 HydrophobicContact CG1-CE1 3.88Å; V210-F216 HydrophobicContact CG1-CG 3.47Å; V210-F216 VanDerWaalsContact CG1-CG 3.47Å; V210-F216 VanDerWaalsContact O-CB 3.29Å; V210-F216 WeakPolarHBondContact O-CB 3.21Å
211L53.7Low62.8Low68 Ų6886.9 Ų86.936%0.35644%0.438SS..THydrogen-bonded Turntrans-74.4-15.1179.7-59174.6000113.6E208 K220E208-L211 WeakPolarHBondContact O-CB 3.21Å; E208-L211 PolarHBondContact O-N 3.14Å; L211-K220 HydrophobicContact CD2-CD 3.6Å
212K55.5Low62.4Low181 Ų18186.8 Ų86.879%0.78744%0.437SS*.THydrogen-bonded Turntrans-82.5-15.8176.6-63.8-175.6-178.3176.20113V210V210-K212 VanDerWaalsContact C-N 3.25Å; V210-K212 PolarHBondContact O-N 3.09Å
213D61.2Low62Low25 Ų2582.9 Ų82.913%0.13442%0.42CS..SBendtrans-84.5120.7177.3-174.3-36.2000110V210 V215 F216 K217V210-D213 PolarHBondContact O-N 3.17Å; D213-V215 PolarHBondContact O-N 2.97Å; D213-V215 WeakPolarHBondContact OD1-CB 3.42Å; D213-V215 PolarHBondContact OD1-N 3.11Å; D213-F216 HydrophobicContact CB-CB 4.21Å; D213-F216 HydrophobicContact CB-CD2 4.43Å; D213-F216 PolarHBondContact O-N 3.26Å; D213-F216 VanDerWaalsContact O-N 3.1Å; D213-K217 PolarHBondContact O-N 3.12Å
214P59.9Low61.6Low104 Ų10481 Ų8168%0.67542%0.419SS*.Hα-helixtrans-55.7-36.1-178.6-23.832.8000113.7K217 Q218P214-K217 PolarHBondContact O-N 3.07Å; P214-Q218 PolarHBondContact O-N 3.17Å
215V57.9Low61.5Low100 Ų10083.2 Ų83.261%0.60644%0.437SS*.Hα-helixtrans-66.6-41.8179.8179.80000110D213 Q218 F219D213-V215 PolarHBondContact O-N 2.97Å; D213-V215 WeakPolarHBondContact OD1-CB 3.42Å; D213-V215 PolarHBondContact OD1-N 3.11Å; V215-Q218 PolarHBondContact O-N 3.17Å; V215-F219 WeakPolarHBondContact O-CB 3.43Å; V215-F219 PolarHBondContact O-N 3.28Å
216F58.6Low62Low36 Ų3682.4 Ų82.416%0.15843%0.433CS..Hα-helixtrans-76.6-27.2178.9-91.4-87.4000113.8M205 V210 D213 Q218 F219 K220M205-F216 HydrophobicContact CE-CD1 4.42Å; M205-F216 HydrophobicContact SD-CD1 3.52Å; M205-F216 VanDerWaalsContact SD-CD1 3.52Å; M205-F216 HydrophobicContact SD-CE1 3.79Å; V210-F216 HydrophobicContact CG1-CB 3.69Å; V210-F216 HydrophobicContact CG1-CD1 3.27Å; V210-F216 HydrophobicContact CG1-CD2 4.23Å; V210-F216 HydrophobicContact CG1-CE1 3.88Å; V210-F216 HydrophobicContact CG1-CG 3.47Å; V210-F216 VanDerWaalsContact CG1-CG 3.47Å; V210-F216 VanDerWaalsContact O-CB 3.29Å; V210-F216 WeakPolarHBondContact O-CB 3.21Å; D213-F216 HydrophobicContact CB-CB 4.21Å; D213-F216 HydrophobicContact CB-CD2 4.43Å; D213-F216 PolarHBondContact O-N 3.26Å; D213-F216 VanDerWaalsContact O-N 3.1Å; F216-Q218 VanDerWaalsContact C-N 3.31Å; F216-Q218 PolarHBondContact O-N 3.13Å; F216-F219 HydrophobicContact CD1-CB 4.34Å; F216-F219 HydrophobicContact CD1-CD1 4.41Å; F216-F219 HydrophobicContact CE1-CD1 4.38Å; F216-F219 CarbonylContact O-C 3.59Å; F216-F219 WeakPolarHBondContact O-CB 3.4Å; F216-F219 PolarHBondContact O-N 2.94Å; F216-K220 PolarHBondContact O-N 3.12Å
217K60.4Low62.7Low155 Ų15579 Ų7967%0.67440%0.404SS*.Hα-helixtrans-62.1-40.9171.1-166.4176.7-178.7-179.70111.3D213 P214D213-K217 PolarHBondContact O-N 3.12Å; P214-K217 PolarHBondContact O-N 3.07Å
218Q57.8Low63.6Low112 Ų11274.6 Ų74.652%0.52339%0.387SS..Hα-helixtrans-69.2-40.9171.9-165.2171.17.700111.4P214 V215 F216 K220 S221 I222P214-Q218 PolarHBondContact O-N 3.17Å; V215-Q218 PolarHBondContact O-N 3.17Å; F216-Q218 VanDerWaalsContact C-N 3.31Å; F216-Q218 PolarHBondContact O-N 3.13Å; Q218-K220 VanDerWaalsContact C-N 3.29Å; Q218-K220 PolarHBondContact O-N 3.47Å; Q218-S221 PolarHBondContact O-N 2.94Å; Q218-I222 PolarHBondContact O-N 3.48Å
219F62Low65.1Low46 Ų4668.1 Ų68.120%0.20236%0.358CS..Hα-helixtrans-59.9-34.6176.2-152.1-100.9000113I195 M205 V215 F216 S221 I222 F223I195-F219 HydrophobicContact CD1-CD2 4.44Å; I195-F219 HydrophobicContact CD1-CE2 3.72Å; I195-F219 HydrophobicContact CD1-CZ 3.89Å; I195-F219 HydrophobicContact CG1-CE2 4.38Å; I195-F219 HydrophobicContact CG1-CZ 4.18Å; I195-F219 HydrophobicContact CG2-CE1 4.17Å; I195-F219 HydrophobicContact CG2-CZ 3.95Å; M205-F219 HydrophobicContact CE-CB 4.34Å; M205-F219 HydrophobicContact CE-CD1 3.71Å; M205-F219 HydrophobicContact SD-CD1 4.21Å; V215-F219 WeakPolarHBondContact O-CB 3.43Å; V215-F219 PolarHBondContact O-N 3.28Å; F216-F219 HydrophobicContact CD1-CB 4.34Å; F216-F219 HydrophobicContact CD1-CD1 4.41Å; F216-F219 HydrophobicContact CE1-CD1 4.38Å; F216-F219 CarbonylContact O-C 3.59Å; F216-F219 WeakPolarHBondContact O-CB 3.4Å; F216-F219 PolarHBondContact O-N 2.94Å; F219-S221 PolarHBondContact O-N 3.36Å; F219-I222 PolarHBondContact O-N 2.75Å; F219-F223 HydrophobicContact CE1-CD2 4.39Å; F219-F223 VanDerWaalsContact O-CB 3.31Å; F219-F223 WeakPolarHBondContact O-CB 3.4Å; F219-F223 PolarHBondContact O-N 2.9Å
220K62.3Low66.8Low111 Ų11163.6 Ų63.648%0.48334%0.337SS..Hα-helixtrans-63.5-40.5178.2-172.8178.3-172.4177.50113M205 L211 F216 Q218 I222 F223 S224M205-K220 VanDerWaalsContact CE-CA 3.46Å; M205-K220 HydrophobicContact CE-CB 3.93Å; M205-K220 HydrophobicContact CE-CG 4.47Å; L211-K220 HydrophobicContact CD2-CD 3.6Å; F216-K220 PolarHBondContact O-N 3.12Å; Q218-K220 VanDerWaalsContact C-N 3.29Å; Q218-K220 PolarHBondContact O-N 3.47Å; K220-I222 VanDerWaalsContact C-N 3.31Å; K220-I222 PolarHBondContact O-N 3.13Å; K220-F223 PolarHBondContact O-N 3.47Å; K220-S224 PolarHBondContact O-N 3.34Å
221S60.7Low68.6Low86 Ų8663.4 Ų63.460%0.60134%0.336SS*.Hα-helixtrans-61.9-43.3176.6179.60000110.6Q218 F219 S224Q218-S221 PolarHBondContact O-N 2.94Å; F219-S221 PolarHBondContact O-N 3.36Å; S221-S224 PolarHBondContact O-OG 3.19Å
222I64Low70.6Confident35 Ų3560.1 Ų60.118%0.17932%0.319CS..Hα-helixtrans-70.2-36.4179-56.4164.8000111.3I195 Q218 F219 K220 S224 S225 A226 H284I195-I222 HydrophobicContact CD1-CG2 3.65Å; Q218-I222 PolarHBondContact O-N 3.48Å; F219-I222 PolarHBondContact O-N 2.75Å; K220-I222 VanDerWaalsContact C-N 3.31Å; K220-I222 PolarHBondContact O-N 3.13Å; I222-S224 PolarHBondContact O-N 3.09Å; I222-S225 CarbonylContact O-C 3.47Å; I222-S225 WeakPolarHBondContact O-CA 3.4Å; I222-S225 PolarHBondContact O-N 3.26Å; I222-A226 PolarHBondContact O-N 3.01Å; I222-A226 VanDerWaalsContact O-N 3.12Å; I222-H284 VanDerWaalsContact CD1-NE2 3.31Å; I222-H284 WeakPolarHBondContact CD1-NE2 3.45Å
223F67.5Low72.6Confident23 Ų2351.5 Ų51.510%0.10128%0.281CS..Hα-helixtrans-63.9-26-178.6-164.9-99.9000113.6I195 Q197 L201 K202 M205 F219 K220 S225 A226I195-F223 HydrophobicContact CG2-CD2 3.99Å; Q197-F223 HydrophobicContact CB-CE1 4.47Å; Q197-F223 HydrophobicContact CB-CZ 4.03Å; Q197-F223 HydrophobicContact CG-CE1 4.3Å; Q197-F223 HydrophobicContact CG-CE2 4.41Å; Q197-F223 HydrophobicContact CG-CZ 4.14Å; Q197-F223 PolarHBondContact NE2-O 3.35Å; L201-F223 HydrophobicContact CB-CE2 3.77Å; L201-F223 HydrophobicContact CB-CZ 3.94Å; L201-F223 HydrophobicContact CD1-CE2 4.37Å; K202-F223 HydrophobicContact CG-CE1 3.86Å; K202-F223 HydrophobicContact CG-CZ 3.84Å; M205-F223 HydrophobicContact CE-CB 3.9Å; M205-F223 HydrophobicContact CE-CG 4.14Å; F219-F223 HydrophobicContact CE1-CD2 4.39Å; F219-F223 VanDerWaalsContact O-CB 3.31Å; F219-F223 WeakPolarHBondContact O-CB 3.4Å; F219-F223 PolarHBondContact O-N 2.9Å; K220-F223 PolarHBondContact O-N 3.47Å; F223-S225 PolarHBondContact O-N 3.3Å; F223-A226 HydrophobicContact CD2-CB 4.26Å; F223-A226 VanDerWaalsContact O-CB 3.25Å; F223-A226 WeakPolarHBondContact O-CB 3.38Å; F223-A226 PolarHBondContact O-N 3.28Å
224S66.3Low74.3Confident78 Ų7852.6 Ų52.655%0.54529%0.285SS..THydrogen-bonded Turntrans-64.4-29.3172.370.50000112.9K220 S221 I222 R270K220-S224 PolarHBondContact O-N 3.34Å; S221-S224 PolarHBondContact O-OG 3.19Å; I222-S224 PolarHBondContact O-N 3.09Å; S224-R270 PolarHBondContact O-NH1 3.12Å; S224-R270 VanDerWaalsContact O-NH1 3.16Å
225S66.8Low76.1Confident62 Ų6247.6 Ų47.643%0.43425%0.253SS..THydrogen-bonded Turntrans-100.73.6178.4-58.10000112.8I222 F223I222-S225 CarbonylContact O-C 3.47Å; I222-S225 WeakPolarHBondContact O-CA 3.4Å; I222-S225 PolarHBondContact O-N 3.26Å; F223-S225 PolarHBondContact O-N 3.3Å
226A77.9Confident78Confident4 Ų442.9 Ų42.93%0.03322%0.224CC..PPolyproline II helixtrans-62.6150.2178.800000111.9I195 Q197 I222 F223I195-A226 HydrophobicContact CB-CB 4.21Å; I195-A226 HydrophobicContact CG2-CB 3.85Å; I195-A226 WeakPolarHBondContact O-CA 3.43Å; I195-A226 WeakPolarHBondContact O-CB 3.49Å; Q197-A226 HydrophobicContact CG-CB 3.55Å; Q197-A226 PolarHBondContact NE2-O 2.93Å; I222-A226 PolarHBondContact O-N 3.01Å; I222-A226 VanDerWaalsContact O-N 3.12Å; F223-A226 HydrophobicContact CD2-CB 4.26Å; F223-A226 VanDerWaalsContact O-CB 3.25Å; F223-A226 WeakPolarHBondContact O-CB 3.38Å; F223-A226 PolarHBondContact O-N 3.28Å
227E83.5Confident80Confident9 Ų942.1 Ų42.14%0.04222%0.222CC..BIsolated β-bridgetrans-66.1144.5-178.7-61.8179.9165.800110.4G194 I195 V196 Q197 L231 S255 V272G194-E227 PolarHBondContact N-OE2 2.97Å; I195-E227 PolarHBondContact O-N 3.42Å; V196-E227 WeakPolarHBondContact CA-O 3.27Å; Q197-E227 PolarHBondContact N-O 3.49Å; E227-L231 HydrophobicContact CB-CD2 3.91Å; E227-L231 VanDerWaalsContact CD-CD2 3.42Å; E227-L231 HydrophobicContact CG-CD2 3.63Å; E227-S255 VanDerWaalsContact CD-OG 3.3Å; E227-S255 PolarHBondContact OE1-OG 2.99Å; E227-S255 PolarHBondContact OE2-OG 2.85Å; E227-V272 WeakPolarHBondContact OE1-CG1 3.24Å
228T88.1Confident81.8Confident24 Ų2435.3 Ų35.315%0.14720%0.195CC..PPolyproline II helixtrans-70.8158.816677.30000110.6E230 L231 D266 V267T228-E230 PolarHBondContact O-N 3.31Å; T228-E230 PolarHBondContact OG1-N 3.37Å; T228-L231 PolarHBondContact O-N 2.89Å; T228-L231 PolarHBondContact OG1-N 3.14Å; T228-D266 WeakPolarHBondContact CB-OD1 3.39Å; T228-D266 WeakPolarHBondContact CG2-OD1 3.26Å; T228-D266 PolarHBondContact N-OD2 3.37Å; T228-D266 PolarHBondContact OG1-OD1 2.86Å; T228-V267 HydrophobicContact CG2-CG2 3.84Å; T228-V267 WeakPolarHBondContact OG1-CG2 3.32Å
229T88.8Confident83.7Confident24 Ų2430 Ų3015%0.14717%0.17CC..Hα-helixtrans-62.7-29.6175.6520000112.3G18 V196 T198 S232G18-T229 WeakPolarHBondContact O-CB 3.25Å; G18-T229 WeakPolarHBondContact O-CG2 3.39Å; V196-T229 HydrophobicContact CG1-CG2 3.47Å; V196-T229 VanDerWaalsContact CG1-CG2 3.47Å; T198-T229 HydrophobicContact CG2-CG2 4.34Å; T229-S232 WeakPolarHBondContact O-CB 3.27Å; T229-S232 PolarHBondContact O-N 3.07Å
230E92.8Very high85.4Confident48 Ų4829 Ų2922%0.22417%0.171CC..Hα-helixtrans-74.6-21.6-178.8-71.9-175.7-128.500113.4L25 Q26 T228 S232 G233 K234 V267L25-E230 HydrophobicContact CD1-CG 4.29Å; Q26-E230 HydrophobicContact CG-CB 4.15Å; Q26-E230 WeakPolarHBondContact CG-O 3.38Å; Q26-E230 PolarHBondContact NE2-OE2 3.1Å; T228-E230 PolarHBondContact O-N 3.31Å; T228-E230 PolarHBondContact OG1-N 3.37Å; E230-S232 VanDerWaalsContact C-N 3.25Å; E230-S232 PolarHBondContact O-N 3.29Å; E230-G233 CarbonylContact O-C 3.58Å; E230-G233 WeakPolarHBondContact O-CA 3.39Å; E230-G233 PolarHBondContact O-N 3.47Å; E230-K234 PolarHBondContact O-N 3.49Å; E230-V267 HydrophobicContact CB-CB 4.48Å; E230-V267 HydrophobicContact CB-CG1 3.39Å; E230-V267 HydrophobicContact CB-CG2 4.35Å; E230-V267 HydrophobicContact CG-CG1 4.28Å; E230-V267 WeakPolarHBondContact OE2-CG1 3.04Å
231L94.6Very high87.2Confident0 Ų026.7 Ų26.70%017%0.166CC..Hα-helixtrans-60.3-39.4172.6176.463.3000111.5E227 T228 G233 K234 C235 L264 V272E227-L231 HydrophobicContact CB-CD2 3.91Å; E227-L231 VanDerWaalsContact CD-CD2 3.42Å; E227-L231 HydrophobicContact CG-CD2 3.63Å; T228-L231 PolarHBondContact O-N 2.89Å; T228-L231 PolarHBondContact OG1-N 3.14Å; L231-G233 PolarHBondContact O-N 3.01Å; L231-K234 PolarHBondContact O-N 2.96Å; L231-C235 PolarHBondContact O-N 3.49Å; L231-C235 PolarHBondContact O-SG 3.28Å; L231-L264 HydrophobicContact CD1-CB 4.48Å; L231-V272 HydrophobicContact CD1-CG2 3.64Å; L231-V272 HydrophobicContact CD2-CB 4.22Å; L231-V272 HydrophobicContact CD2-CG1 3.67Å; L231-V272 HydrophobicContact CD2-CG2 3.53Å; L231-V272 HydrophobicContact CG-CG2 4.24Å
232S96Very high88.9Confident0 Ų023.3 Ų23.30%014%0.141CC..Hα-helixtrans-60.2-39.7173.1-63.80000110.9P193 T229 E230 C235 V236P193-S232 WeakPolarHBondContact CB-OG 3.37Å; T229-S232 WeakPolarHBondContact O-CB 3.27Å; T229-S232 PolarHBondContact O-N 3.07Å; E230-S232 VanDerWaalsContact C-N 3.25Å; E230-S232 PolarHBondContact O-N 3.29Å; S232-C235 WeakPolarHBondContact O-CB 3.48Å; S232-C235 PolarHBondContact O-N 2.83Å; S232-V236 WeakPolarHBondContact O-CG2 3.23Å; S232-V236 PolarHBondContact O-N 3.36Å
233G97.1Very high90.5Very high0 Ų027.4 Ų27.40%017%0.17CC..Hα-helixtrans-61.9-43.9173.900000113.6Q26 E230 L231 C235 V236 V237Q26-G233 VanDerWaalsContact CB-C 3.48Å; E230-G233 CarbonylContact O-C 3.58Å; E230-G233 WeakPolarHBondContact O-CA 3.39Å; E230-G233 PolarHBondContact O-N 3.47Å; L231-G233 PolarHBondContact O-N 3.01Å; G233-C235 VanDerWaalsContact C-N 3.29Å; G233-C235 PolarHBondContact O-N 3.32Å; G233-V236 PolarHBondContact O-N 2.85Å; G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.46Å
234K97.3Very high92Very high47 Ų4731.1 Ų31.120%0.20419%0.191CC..Hα-helixtrans-60.1-40.9173.9-69.5-176.8-179.1179.90111.6Q26 E230 L231 V237 A238 L264 R265 D266Q26-K234 HydrophobicContact CG-CG 4.28Å; E230-K234 PolarHBondContact O-N 3.49Å; L231-K234 PolarHBondContact O-N 2.96Å; K234-V237 PolarHBondContact O-N 3.3Å; K234-A238 WeakPolarHBondContact O-CB 3.27Å; K234-A238 PolarHBondContact O-N 2.87Å; K234-L264 HydrophobicContact CB-CD1 4.24Å; K234-R265 WeakPolarHBondContact CD-O 3.44Å; K234-R265 PolarHBondContact NZ-O 3.41Å; K234-D266 PolarHBondContact NZ-O 3.13Å; K234-D266 VanDerWaalsContact NZ-O 3.09Å
235C98.1Very high93.5Very high0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-61.2-46175.6-66.30000111.5L191 L231 S232 G233 A238 L239 L258L191-C235 HydrophobicContact CD1-CB 4.2Å; L191-C235 HydrophobicContact CD2-CB 4.47Å; L231-C235 PolarHBondContact O-N 3.49Å; L231-C235 PolarHBondContact O-SG 3.28Å; S232-C235 WeakPolarHBondContact O-CB 3.48Å; S232-C235 PolarHBondContact O-N 2.83Å; G233-C235 VanDerWaalsContact C-N 3.29Å; G233-C235 PolarHBondContact O-N 3.32Å; C235-A238 PolarHBondContact O-N 3.47Å; C235-L239 VanDerWaalsContact O-CG 3.27Å; C235-L239 WeakPolarHBondContact O-CG 3.31Å; C235-L239 PolarHBondContact O-N 3.44Å; C235-L258 HydrophobicContact CB-CB 4.45Å; C235-L258 HydrophobicContact CB-CD1 3.85Å
236V98.6Very high95Very high0 Ų028.8 Ų28.80%017%0.167CC..Hα-helixtrans-64.5-42.9178.5175.70000111.6I23 L27 V88 V90 V147 L191 S232 G233 A238 L239 A240I23-V236 HydrophobicContact CD1-CG2 4.13Å; I23-V236 HydrophobicContact CG1-CG2 4.24Å; I23-V236 HydrophobicContact CG2-CB 4.18Å; I23-V236 HydrophobicContact CG2-CG1 4.19Å; I23-V236 HydrophobicContact CG2-CG2 4.1Å; L27-V236 HydrophobicContact CD1-CG1 4.42Å; L27-V236 HydrophobicContact CD2-CG1 4.23Å; V88-V236 HydrophobicContact CG1-CG1 4.16Å; V90-V236 HydrophobicContact CG2-CG1 3.97Å; V147-V236 HydrophobicContact CG1-CG2 4.49Å; L191-V236 HydrophobicContact CD2-CG2 4.01Å; S232-V236 WeakPolarHBondContact O-CG2 3.23Å; S232-V236 PolarHBondContact O-N 3.36Å; G233-V236 PolarHBondContact O-N 2.85Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.23Å; V236-L239 PolarHBondContact O-N 3.16Å; V236-A240 VanDerWaalsContact O-CB 3.3Å; V236-A240 WeakPolarHBondContact O-CB 3.35Å; V236-A240 PolarHBondContact O-N 3.41Å
237V98.6Very high95.9Very high21 Ų2131.6 Ų31.613%0.12719%0.186CC..Hα-helixtrans-60.4-44.5174.7172.20000110.8M5 Q26 L27 A30 G233 K234 L239 A240 T241M5-V237 HydrophobicContact CG-CG1 4.41Å; Q26-V237 HydrophobicContact CB-CG2 4.11Å; L27-V237 HydrophobicContact CD2-CG2 3.92Å; L27-V237 HydrophobicContact CG-CG2 4.35Å; A30-V237 HydrophobicContact CB-CG1 3.85Å; A30-V237 HydrophobicContact CB-CG2 3.99Å; G233-V237 WeakPolarHBondContact O-CG2 3.34Å; G233-V237 PolarHBondContact O-N 3.46Å; K234-V237 PolarHBondContact O-N 3.3Å; V237-L239 PolarHBondContact O-N 2.76Å; V237-A240 PolarHBondContact O-N 3.38Å; V237-T241 WeakPolarHBondContact O-CB 3.31Å; V237-T241 WeakPolarHBondContact O-CG2 3.4Å; V237-T241 PolarHBondContact O-N 3.3Å; V237-T241 VanDerWaalsContact O-N 3.09Å; V237-T241 PolarHBondContact O-OG1 3.17Å
238A98.4Very high96.6Very high11 Ų1131.8 Ų31.89%0.09119%0.187CC..Hα-helixtrans-63-41.2178.500000112K234 C235 V236 T241 D242 Y262 L264K234-A238 WeakPolarHBondContact O-CB 3.27Å; K234-A238 PolarHBondContact O-N 2.87Å; C235-A238 PolarHBondContact O-N 3.47Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.23Å; A238-T241 PolarHBondContact O-N 3.33Å; A238-T241 PolarHBondContact O-OG1 2.91Å; A238-D242 PolarHBondContact O-N 3.46Å; A238-Y262 HydrophobicContact CB-CD1 4.33Å; A238-Y262 HydrophobicContact CB-CD2 3.55Å; A238-Y262 HydrophobicContact CB-CE2 3.97Å; A238-Y262 HydrophobicContact CB-CG 3.75Å; A238-L264 HydrophobicContact CB-CD1 4.31Å; A238-L264 HydrophobicContact CB-CD2 4.44Å
239L98.6Very high97.1Very high0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-65.6-44.1174.9-70.2168.4000112.2L145 V189 C235 V236 V237 T241 D242 I245 L248 L253 L258 Y262L145-L239 HydrophobicContact CD2-CB 3.73Å; V189-L239 HydrophobicContact CG2-CD1 4.21Å; C235-L239 VanDerWaalsContact O-CG 3.27Å; C235-L239 WeakPolarHBondContact O-CG 3.31Å; C235-L239 PolarHBondContact O-N 3.44Å; V236-L239 PolarHBondContact O-N 3.16Å; V237-L239 PolarHBondContact O-N 2.76Å; L239-T241 PolarHBondContact O-N 2.78Å; L239-D242 PolarHBondContact O-N 3.09Å; L239-I245 HydrophobicContact CB-CD1 3.86Å; L239-I245 HydrophobicContact CD2-CD1 3.61Å; L239-I245 HydrophobicContact CG-CD1 4.33Å; L239-I245 WeakPolarHBondContact O-CD1 3.44Å; L239-L248 HydrophobicContact CD2-CD1 3.72Å; L239-L253 HydrophobicContact CD1-CD1 4.16Å; L239-L253 HydrophobicContact CD2-CD1 3.72Å; L239-L258 HydrophobicContact CD1-CD1 3.76Å; L239-L258 HydrophobicContact CD2-CD1 4.22Å; L239-L258 HydrophobicContact CD2-CD2 4.12Å; L239-L258 HydrophobicContact CG-CD1 4.07Å; L239-Y262 HydrophobicContact CD2-CE2 4.22Å
240A98.6Very high97.6Very high27 Ų2731 Ų3122%0.22319%0.188CC..Hα-helixtrans-66.7-19-179.500000113.3M5 V88 L145 V236 V237M5-A240 HydrophobicContact CE-CB 3.86Å; M5-A240 HydrophobicContact SD-CB 3.79Å; V88-A240 HydrophobicContact CG2-CB 3.69Å; L145-A240 HydrophobicContact CD2-CB 4.15Å; V236-A240 VanDerWaalsContact O-CB 3.3Å; V236-A240 WeakPolarHBondContact O-CB 3.35Å; V236-A240 PolarHBondContact O-N 3.41Å; V237-A240 PolarHBondContact O-N 3.38Å
241T98.3Very high97.8Very high62 Ų6233.9 Ų33.938%0.3820%0.2SC..THydrogen-bonded Turntrans-108.70.4179.155.90000113.2P4 M5 V237 A238 L239 P243P4-T241 HydrophobicContact CB-CG2 4.18Å; M5-T241 HydrophobicContact CG-CG2 4.06Å; M5-T241 HydrophobicContact SD-CG2 3.55Å; M5-T241 VanDerWaalsContact SD-CG2 3.55Å; V237-T241 WeakPolarHBondContact O-CB 3.31Å; V237-T241 WeakPolarHBondContact O-CG2 3.4Å; V237-T241 PolarHBondContact O-N 3.3Å; V237-T241 VanDerWaalsContact O-N 3.09Å; V237-T241 PolarHBondContact O-OG1 3.17Å; A238-T241 PolarHBondContact O-N 3.33Å; A238-T241 PolarHBondContact O-OG1 2.91Å; L239-T241 PolarHBondContact O-N 2.78Å; T241-P243 WeakPolarHBondContact O-CD 3.39Å
242D98.2Very high98Very high15 Ų1536.2 Ų36.28%0.0821%0.214CC..  trans-76.1116.3176-172-19.3000109.7A238 L239 N244 I245 R261 Y262A238-D242 PolarHBondContact O-N 3.46Å; L239-D242 PolarHBondContact O-N 3.09Å; D242-N244 PolarHBondContact O-N 3.49Å; D242-N244 VanDerWaalsContact O-N 3.09Å; D242-N244 WeakPolarHBondContact OD1-CA 3.27Å; D242-N244 WeakPolarHBondContact OD1-CB 3.4Å; D242-N244 PolarHBondContact OD1-N 3.29Å; D242-I245 HydrophobicContact CB-CB 4.38Å; D242-I245 WeakPolarHBondContact O-CB 3.42Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-I245 VanDerWaalsContact O-N 3.13Å; D242-R261 IonicContact OD2-CZ 3.66Å; D242-R261 IonicContact OD2-NE 3.49Å; D242-R261 PolarHBondContact OD2-NE 3.43Å; D242-R261 IonicContact OD2-NH2 2.92Å; D242-R261 PolarHBondContact OD2-NH2 2.85Å; D242-Y262 HydrophobicContact CB-CE1 4.1Å; D242-Y262 WeakPolarHBondContact OD2-CE1 3.46Å; D242-Y262 PolarHBondContact OD2-OH 2.98Å
243P97.2Very high98Very high121 Ų12136.6 Ų36.679%0.78622%0.216SC*.THydrogen-bonded Turntrans-62.3-18.9177.726.7-35000113T241T241-P243 WeakPolarHBondContact O-CD 3.39Å
244N97.6Very high98Very high101 Ų10136.8 Ų36.854%0.5422%0.218SC..THydrogen-bonded Turntrans-105.821.7-179.8-60.6-61.1000112.9D242 L246 S247D242-N244 PolarHBondContact O-N 3.49Å; D242-N244 VanDerWaalsContact O-N 3.09Å; D242-N244 WeakPolarHBondContact OD1-CA 3.27Å; D242-N244 WeakPolarHBondContact OD1-CB 3.4Å; D242-N244 PolarHBondContact OD1-N 3.29Å; N244-L246 PolarHBondContact O-N 3.44Å; N244-L246 VanDerWaalsContact O-N 3.09Å; N244-S247 VanDerWaalsContact O-CB 3.32Å; N244-S247 WeakPolarHBondContact O-CB 3.22Å; N244-S247 PolarHBondContact O-N 3.26Å; N244-S247 PolarHBondContact O-OG 3.37Å
245I98.3Very high97.8Very high28 Ų2834.6 Ų34.614%0.14421%0.208CC..G310 helixtrans-53.7-32.1-177.2-172.956.4000113.6L145 L239 D242 S247 L248 S249L145-I245 HydrophobicContact CD1-CD1 4.05Å; L145-I245 HydrophobicContact CD1-CG1 3.87Å; L145-I245 HydrophobicContact CD2-CD1 4.45Å; L145-I245 HydrophobicContact CD2-CG1 4.41Å; L239-I245 HydrophobicContact CB-CD1 3.86Å; L239-I245 HydrophobicContact CD2-CD1 3.61Å; L239-I245 HydrophobicContact CG-CD1 4.33Å; L239-I245 WeakPolarHBondContact O-CD1 3.44Å; D242-I245 HydrophobicContact CB-CB 4.38Å; D242-I245 WeakPolarHBondContact O-CB 3.42Å; D242-I245 PolarHBondContact O-N 3.42Å; D242-I245 VanDerWaalsContact O-N 3.13Å; I245-S247 PolarHBondContact O-N 3.21Å; I245-L248 HydrophobicContact CD1-CB 4.39Å; I245-L248 HydrophobicContact CD1-CD1 4.26Å; I245-L248 WeakPolarHBondContact O-CA 3.34Å; I245-L248 WeakPolarHBondContact O-CB 3.17Å; I245-L248 PolarHBondContact O-N 3.21Å; I245-S249 PolarHBondContact O-N 2.81Å
246L98.2Very high97.5Very high63 Ų6334.6 Ų34.633%0.3321%0.208SC..G310 helixtrans-63.1-25.7178.8-162.566.4000113.4R182 S187 N244 L248 S249R182-L246 PolarHBondContact NH1-O 3.43Å; R182-L246 VanDerWaalsContact NH1-O 3.15Å; S187-L246 WeakPolarHBondContact OG-CA 3.37Å; S187-L246 WeakPolarHBondContact OG-CD1 3.36Å; S187-L246 PolarHBondContact OG-N 2.68Å; N244-L246 PolarHBondContact O-N 3.44Å; N244-L246 VanDerWaalsContact O-N 3.09Å; L246-L248 PolarHBondContact O-N 3.25Å; L246-S249 WeakPolarHBondContact O-CB 3.27Å; L246-S249 PolarHBondContact O-N 2.97Å
247S98.1Very high97.3Very high63 Ų6335.8 Ų35.844%0.44121%0.214SC..G310 helixtrans-69.5-18.7173.474.60000113.1N244 I245 K251N244-S247 VanDerWaalsContact O-CB 3.32Å; N244-S247 WeakPolarHBondContact O-CB 3.22Å; N244-S247 PolarHBondContact O-N 3.26Å; N244-S247 PolarHBondContact O-OG 3.37Å; I245-S247 PolarHBondContact O-N 3.21Å; S247-K251 WeakPolarHBondContact O-CE 3.36Å; S247-K251 PolarHBondContact O-NZ 3.29Å
248L98.4Very high97.2Very high13 Ų1334.9 Ų34.97%0.06821%0.209CC..THydrogen-bonded Turntrans-96.7-13.4176.4-55.4-178.4000112.5V189 L239 I245 L246 G250 K251 L253 Y262V189-L248 HydrophobicContact CG1-CB 4.36Å; L239-L248 HydrophobicContact CD2-CD1 3.72Å; I245-L248 HydrophobicContact CD1-CB 4.39Å; I245-L248 HydrophobicContact CD1-CD1 4.26Å; I245-L248 WeakPolarHBondContact O-CA 3.34Å; I245-L248 WeakPolarHBondContact O-CB 3.17Å; I245-L248 PolarHBondContact O-N 3.21Å; L246-L248 PolarHBondContact O-N 3.25Å; L248-G250 PolarHBondContact O-N 2.91Å; L248-K251 VanDerWaalsContact O-CB 3.25Å; L248-K251 WeakPolarHBondContact O-CB 3.09Å; L248-K251 WeakPolarHBondContact O-CG 3.48Å; L248-K251 PolarHBondContact O-N 3.27Å; L248-K251 VanDerWaalsContact O-N 3.11Å; L248-L253 HydrophobicContact CB-CD1 4.25Å; L248-L253 HydrophobicContact CB-CD2 4.48Å; L248-L253 HydrophobicContact CD1-CD1 4.31Å; L248-L253 HydrophobicContact CD2-CD2 4.48Å; L248-Y262 WeakPolarHBondContact CD1-OH 3.22Å
249S98.6Very high97Very high3 Ų334.7 Ų34.72%0.02121%0.207CC..THydrogen-bonded Turntrans-55.7131.4179.4-168.30000111.8A178 R182 S187 Y188 I245 L246A178-S249 WeakPolarHBondContact CB-OG 3.15Å; R182-S249 PolarHBondContact NH2-O 2.9Å; S187-S249 WeakPolarHBondContact CA-OG 3.31Å; Y188-S249 PolarHBondContact N-OG 2.93Å; Y188-S249 VanDerWaalsContact N-OG 3.1Å; I245-S249 PolarHBondContact O-N 2.81Å; L246-S249 WeakPolarHBondContact O-CB 3.27Å; L246-S249 PolarHBondContact O-N 2.97Å
250G98.1Very high96.7Very high29 Ų2940.2 Ų40.230%0.29923%0.228SC..THydrogen-bonded Turntrans862.8-177.200000114.8A178 Y188 L248A178-G250 VanDerWaalsContact CB-N 3.26Å; Y188-G250 PolarHBondContact O-N 3.24Å; L248-G250 PolarHBondContact O-N 2.91Å
251K98.1Very high96.6Very high107 Ų10744.9 Ų44.947%0.46524%0.24SC..  trans-100151.6-177.7-60.4179.9-178.4161.70112.5S190 S247 L248 L253S190-K251 PolarHBondContact N-O 3.4Å; S247-K251 WeakPolarHBondContact O-CE 3.36Å; S247-K251 PolarHBondContact O-NZ 3.29Å; L248-K251 VanDerWaalsContact O-CB 3.25Å; L248-K251 WeakPolarHBondContact O-CB 3.09Å; L248-K251 WeakPolarHBondContact O-CG 3.48Å; L248-K251 PolarHBondContact O-N 3.27Å; L248-K251 VanDerWaalsContact O-N 3.11Å; K251-L253 HydrophobicContact CB-CD2 4.01Å
252V97.1Very high96.5Very high49 Ų4944.8 Ų44.830%0.29723%0.233SC..EExtended strand (participates in β ladder)trans-77.8128.6158.9168.10000109.2S190 W192S190-V252 CarbonylContact O-C 3.58Å; S190-V252 WeakPolarHBondContact O-CA 3.46Å; W192-V252 HydrophobicContact CD2-CG1 3.4Å; W192-V252 VanDerWaalsContact CD2-CG1 3.4Å; W192-V252 HydrophobicContact CE3-CG1 3.83Å; W192-V252 HydrophobicContact CG-CG1 3.86Å; W192-V252 HydrophobicContact CH2-CG1 3.82Å; W192-V252 HydrophobicContact CZ2-CB 4.26Å; W192-V252 HydrophobicContact CZ2-CG1 3.41Å; W192-V252 VanDerWaalsContact CZ2-CG1 3.41Å; W192-V252 HydrophobicContact CZ2-CG2 3.9Å; W192-V252 HydrophobicContact CZ3-CG1 4.04Å
253L97.5Very high96.3Very high9 Ų947.1 Ų47.15%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-122.997.9-176.2-58-178.3000109.8V189 S190 L191 W192 L239 L248 K251 L258V189-L253 HydrophobicContact CB-CD1 3.7Å; V189-L253 HydrophobicContact CB-CG 4.33Å; V189-L253 HydrophobicContact CG1-CD1 3.77Å; V189-L253 HydrophobicContact CG2-CD1 4.01Å; S190-L253 PolarHBondContact O-N 3.41Å; L191-L253 WeakPolarHBondContact CD1-O 3.38Å; W192-L253 PolarHBondContact N-O 3.12Å; L239-L253 HydrophobicContact CD1-CD1 4.16Å; L239-L253 HydrophobicContact CD2-CD1 3.72Å; L248-L253 HydrophobicContact CB-CD1 4.25Å; L248-L253 HydrophobicContact CB-CD2 4.48Å; L248-L253 HydrophobicContact CD1-CD1 4.31Å; L248-L253 HydrophobicContact CD2-CD2 4.48Å; K251-L253 HydrophobicContact CB-CD2 4.01Å; L253-L258 HydrophobicContact CB-CD1 4.06Å; L253-L258 HydrophobicContact CB-CD2 4.12Å; L253-L258 HydrophobicContact CB-CG 4.23Å; L253-L258 HydrophobicContact CD1-CD1 4.49Å; L253-L258 HydrophobicContact CD1-CD2 4.19Å; L253-L258 HydrophobicContact CD2-CD2 4.39Å; L253-L258 HydrophobicContact CG-CD2 4.47Å
254P95.5Very high96.2Very high4 Ų443.1 Ų43.13%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-59.5133.8167.6-23.635000111.3C256 D257 L258 Y275 L276P254-C256 PolarHBondContact O-N 3.41Å; P254-D257 HydrophobicContact CB-CB 4.26Å; P254-D257 WeakPolarHBondContact CD-OD2 3.38Å; P254-D257 WeakPolarHBondContact O-CB 3.02Å; P254-D257 PolarHBondContact O-N 3.46Å; P254-L258 PolarHBondContact O-N 3.2Å; P254-Y275 VanDerWaalsContact CA-OH 3.3Å; P254-Y275 WeakPolarHBondContact CA-OH 3.37Å; P254-Y275 HydrophobicContact CB-CE2 4.05Å; P254-Y275 VanDerWaalsContact CB-OH 3.28Å; P254-Y275 WeakPolarHBondContact CB-OH 3.32Å; P254-L276 HydrophobicContact CB-CD1 3.91Å; P254-L276 HydrophobicContact CG-CD1 3.57Å
255S94.3Very high96Very high0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-51-40.4174.752.70000112.4W192 G194 E227 D257 L258 A259 Y275W192-S255 PolarHBondContact O-N 2.86Å; W192-S255 PolarHBondContact O-OG 3.37Å; G194-S255 PolarHBondContact N-OG 3.22Å; E227-S255 VanDerWaalsContact CD-OG 3.3Å; E227-S255 PolarHBondContact OE1-OG 2.99Å; E227-S255 PolarHBondContact OE2-OG 2.85Å; S255-D257 VanDerWaalsContact C-N 3.31Å; S255-D257 PolarHBondContact O-N 3.26Å; S255-L258 PolarHBondContact O-N 3.2Å; S255-A259 WeakPolarHBondContact O-CB 3.4Å; S255-A259 PolarHBondContact O-N 2.99Å; S255-Y275 PolarHBondContact N-OH 3.18Å; S255-Y275 PolarHBondContact OG-OH 3.46Å
256C91.8Very high95.6Very high1 Ų144.4 Ų44.41%0.00723%0.229CC..Hα-helixtrans-66.8-26.8177.664.10000113.9P254 R260 V272 Q273 Y275 R300P254-C256 PolarHBondContact O-N 3.41Å; C256-R260 PolarHBondContact O-N 3Å; C256-V272 HydrophobicContact CB-CG1 4.06Å; C256-Q273 WeakPolarHBondContact CB-O 3.48Å; C256-Y275 HydrophobicContact CB-CD1 4.24Å; C256-Y275 HydrophobicContact CB-CE1 3.96Å; C256-R300 PolarHBondContact SG-NH2 2.95Å; C256-R300 VanDerWaalsContact SG-NH2 3.36Å
257D93.9Very high95Very high24 Ų2444.2 Ų44.213%0.12823%0.23CC..Hα-helixtrans-71.9-44.3172.1-71.71.7000110.6P254 S255 A259 R260 R261 R300 K303P254-D257 HydrophobicContact CB-CB 4.26Å; P254-D257 WeakPolarHBondContact CD-OD2 3.38Å; P254-D257 WeakPolarHBondContact O-CB 3.02Å; P254-D257 PolarHBondContact O-N 3.46Å; S255-D257 VanDerWaalsContact C-N 3.31Å; S255-D257 PolarHBondContact O-N 3.26Å; D257-A259 VanDerWaalsContact C-N 3.32Å; D257-R260 PolarHBondContact O-N 3.43Å; D257-R261 WeakPolarHBondContact O-CB 3.44Å; D257-R261 PolarHBondContact O-N 3.29Å; D257-R300 IonicContact OD1-CZ 3.07Å; D257-R300 IonicContact OD1-NH1 2.63Å; D257-R300 PolarHBondContact OD1-NH1 3.11Å; D257-R300 IonicContact OD1-NH2 2.66Å; D257-R300 PolarHBondContact OD1-NH2 2.98Å; D257-K303 WeakPolarHBondContact OD2-CE 3.39Å; D257-K303 IonicContact OD2-NZ 2.66Å; D257-K303 PolarHBondContact OD2-NZ 3.3Å
258L96.3Very high94.5Very high2 Ų245.2 Ų45.21%0.0123%0.23CC..Hα-helixtrans-67.2-37.3179-58.2-175.2000111.2L191 C235 L239 L253 P254 S255 R260 R261 Y262L191-L258 HydrophobicContact CD1-CD1 3.52Å; C235-L258 HydrophobicContact CB-CB 4.45Å; C235-L258 HydrophobicContact CB-CD1 3.85Å; L239-L258 HydrophobicContact CD1-CD1 3.76Å; L239-L258 HydrophobicContact CD2-CD1 4.22Å; L239-L258 HydrophobicContact CD2-CD2 4.12Å; L239-L258 HydrophobicContact CG-CD1 4.07Å; L253-L258 HydrophobicContact CB-CD1 4.06Å; L253-L258 HydrophobicContact CB-CD2 4.12Å; L253-L258 HydrophobicContact CB-CG 4.23Å; L253-L258 HydrophobicContact CD1-CD1 4.49Å; L253-L258 HydrophobicContact CD1-CD2 4.19Å; L253-L258 HydrophobicContact CD2-CD2 4.39Å; L253-L258 HydrophobicContact CG-CD2 4.47Å; P254-L258 PolarHBondContact O-N 3.2Å; S255-L258 PolarHBondContact O-N 3.2Å; L258-R260 VanDerWaalsContact C-N 3.29Å; L258-R260 PolarHBondContact O-N 3.36Å; L258-R261 PolarHBondContact O-N 3.45Å; L258-Y262 HydrophobicContact CB-CD2 4.16Å; L258-Y262 HydrophobicContact CB-CE2 4.3Å; L258-Y262 HydrophobicContact CD2-CE2 3.97Å; L258-Y262 VanDerWaalsContact O-CD2 3.28Å; L258-Y262 WeakPolarHBondContact O-CD2 3.47Å; L258-Y262 PolarHBondContact O-N 3.23Å
259A94Very high93.9Very high7 Ų746.3 Ų46.36%0.05825%0.245CC..Hα-helixtrans-58.8-41.1174.200000112.1S255 D257 G263 L264 V272S255-A259 WeakPolarHBondContact O-CB 3.4Å; S255-A259 PolarHBondContact O-N 2.99Å; D257-A259 VanDerWaalsContact C-N 3.32Å; A259-G263 CarbonylContact O-C 3.16Å; A259-G263 VanDerWaalsContact O-CA 3.22Å; A259-G263 WeakPolarHBondContact O-CA 3.38Å; A259-G263 PolarHBondContact O-N 3.31Å; A259-L264 HydrophobicContact CB-CB 4.18Å; A259-L264 PolarHBondContact O-N 3.35Å; A259-V272 HydrophobicContact CB-CB 3.65Å; A259-V272 HydrophobicContact CB-CG1 3.98Å; A259-V272 HydrophobicContact CB-CG2 3.52Å
260R92.7Very high93.4Very high116 Ų11650.3 Ų50.344%0.43826%0.26SS..Hα-helixtrans-68.9-49.2172.3-71.3-172.9178.197-8.1112.6C256 D257 L258 Y262 G263 D274C256-R260 PolarHBondContact O-N 3Å; D257-R260 PolarHBondContact O-N 3.43Å; L258-R260 VanDerWaalsContact C-N 3.29Å; L258-R260 PolarHBondContact O-N 3.36Å; R260-Y262 PolarHBondContact O-N 3.3Å; R260-G263 PolarHBondContact O-N 3.49Å; R260-D274 IonicContact CZ-OD2 2.73Å; R260-D274 IonicContact NH1-OD1 2.64Å; R260-D274 PolarHBondContact NH1-OD1 3.33Å; R260-D274 IonicContact NH1-OD2 2.62Å; R260-D274 PolarHBondContact NH1-OD2 3.32Å; R260-D274 IonicContact NH2-OD2 2.61Å; R260-D274 PolarHBondContact NH2-OD2 3.3Å
261R95.5Very high92.9Very high126 Ų12653.7 Ų53.748%0.47528%0.276SS..Hα-helixtrans-57-39.9-175.6179176.9170.9880.3112D242 D257 L258D242-R261 IonicContact OD2-CZ 3.66Å; D242-R261 IonicContact OD2-NE 3.49Å; D242-R261 PolarHBondContact OD2-NE 3.43Å; D242-R261 IonicContact OD2-NH2 2.92Å; D242-R261 PolarHBondContact OD2-NH2 2.85Å; D257-R261 WeakPolarHBondContact O-CB 3.44Å; D257-R261 PolarHBondContact O-N 3.29Å; L258-R261 PolarHBondContact O-N 3.45Å
262Y96.4Very high92.3Very high59 Ų5949.8 Ų49.823%0.23126%0.262CS..THydrogen-bonded Turntrans-110.28.3-176-54.1-66.2000113.6A238 L239 D242 L248 L258 R260 L264A238-Y262 HydrophobicContact CB-CD1 4.33Å; A238-Y262 HydrophobicContact CB-CD2 3.55Å; A238-Y262 HydrophobicContact CB-CE2 3.97Å; A238-Y262 HydrophobicContact CB-CG 3.75Å; L239-Y262 HydrophobicContact CD2-CE2 4.22Å; D242-Y262 HydrophobicContact CB-CE1 4.1Å; D242-Y262 WeakPolarHBondContact OD2-CE1 3.46Å; D242-Y262 PolarHBondContact OD2-OH 2.98Å; L248-Y262 WeakPolarHBondContact CD1-OH 3.22Å; L258-Y262 HydrophobicContact CB-CD2 4.16Å; L258-Y262 HydrophobicContact CB-CE2 4.3Å; L258-Y262 HydrophobicContact CD2-CE2 3.97Å; L258-Y262 VanDerWaalsContact O-CD2 3.28Å; L258-Y262 WeakPolarHBondContact O-CD2 3.47Å; L258-Y262 PolarHBondContact O-N 3.23Å; R260-Y262 PolarHBondContact O-N 3.3Å; Y262-L264 VanDerWaalsContact C-N 3.31Å; Y262-L264 PolarHBondContact O-N 2.95Å
263G94.9Very high91.6Very high65 Ų6551.5 Ų51.567%0.6727%0.266SS*.THydrogen-bonded Turntrans62.732.7-179.600000114.3A259 R260A259-G263 CarbonylContact O-C 3.16Å; A259-G263 VanDerWaalsContact O-CA 3.22Å; A259-G263 WeakPolarHBondContact O-CA 3.38Å; A259-G263 PolarHBondContact O-N 3.31Å; R260-G263 PolarHBondContact O-N 3.49Å
264L94.6Very high91.1Very high36 Ų3651.7 Ų51.719%0.18827%0.267CS..  trans-77.5144.7-178-44.3174.2000111.4L231 K234 A238 A259 Y262L231-L264 HydrophobicContact CD1-CB 4.48Å; K234-L264 HydrophobicContact CB-CD1 4.24Å; A238-L264 HydrophobicContact CB-CD1 4.31Å; A238-L264 HydrophobicContact CB-CD2 4.44Å; A259-L264 HydrophobicContact CB-CB 4.18Å; A259-L264 PolarHBondContact O-N 3.35Å; Y262-L264 VanDerWaalsContact C-N 3.31Å; Y262-L264 PolarHBondContact O-N 2.95Å
265R93.1Very high90.4Very high149 Ų14953.9 Ų53.956%0.56228%0.276SS*.  trans-118.7160.3165.9-70.2175171.8-103-0.2108.9K234 G269K234-R265 WeakPolarHBondContact CD-O 3.44Å; K234-R265 PolarHBondContact NZ-O 3.41Å; R265-G269 PolarHBondContact NH1-O 3.42Å
266D90.4Very high90Very high8 Ų855 Ų554%0.04328%0.282CS..  trans-63.4166.9171.6-150.4-26.5000110.4T228 K234 D268 G269 R270T228-D266 WeakPolarHBondContact CB-OD1 3.39Å; T228-D266 WeakPolarHBondContact CG2-OD1 3.26Å; T228-D266 PolarHBondContact N-OD2 3.37Å; T228-D266 PolarHBondContact OG1-OD1 2.86Å; K234-D266 PolarHBondContact NZ-O 3.13Å; K234-D266 VanDerWaalsContact NZ-O 3.09Å; D266-D268 PolarHBondContact O-N 3.39Å; D266-G269 PolarHBondContact O-N 3.22Å; D266-R270 PolarHBondContact N-O 2.88Å
267V86.5Confident89.6Confident59 Ų5955.3 Ų55.336%0.35828%0.283SS..THydrogen-bonded Turntrans-66.4-25.3-175.8-680000113.7T228 E230 G269T228-V267 HydrophobicContact CG2-CG2 3.84Å; T228-V267 WeakPolarHBondContact OG1-CG2 3.32Å; E230-V267 HydrophobicContact CB-CB 4.48Å; E230-V267 HydrophobicContact CB-CG1 3.39Å; E230-V267 HydrophobicContact CB-CG2 4.35Å; E230-V267 HydrophobicContact CG-CG1 4.28Å; E230-V267 WeakPolarHBondContact OE2-CG1 3.04Å; V267-G269 VanDerWaalsContact C-N 3.26Å
268D86.7Confident89Confident83 Ų8356.7 Ų56.744%0.44429%0.29SS..THydrogen-bonded Turntrans-85.14.5173.358.820.5000113.2D266 R270D266-D268 PolarHBondContact O-N 3.39Å; D268-R270 VanDerWaalsContact C-N 3.29Å; D268-R270 VanDerWaalsContact CG-NE 3.3Å; D268-R270 PolarHBondContact O-N 3.3Å; D268-R270 VanDerWaalsContact OD1-CB 3.27Å; D268-R270 WeakPolarHBondContact OD1-CB 3.35Å; D268-R270 WeakPolarHBondContact OD1-CG 3.46Å; D268-R270 PolarHBondContact OD1-N 3.5Å; D268-R270 IonicContact OD1-NE 3.32Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.98Å; D268-R270 IonicContact OD2-NE 3.67Å; D268-R270 PolarHBondContact OD2-NE 3.47Å; D268-R270 IonicContact OD2-NH2 2.88Å; D268-R270 PolarHBondContact OD2-NH2 3.22Å
269G86.3Confident88.2Confident37 Ų3757.6 Ų57.638%0.38130%0.297SS..SBendtrans84.2-5.1178.100000114.9R265 D266 V267R265-G269 PolarHBondContact NH1-O 3.42Å; D266-G269 PolarHBondContact O-N 3.22Å; V267-G269 VanDerWaalsContact C-N 3.26Å
270R88.1Confident87.5Confident87 Ų8757.9 Ų57.933%0.32830%0.299SS..PPolyproline II helixtrans-64.1146.4176.8-67.8-174.2-66.5159.72.4111.1S224 D266 D268S224-R270 PolarHBondContact O-NH1 3.12Å; S224-R270 VanDerWaalsContact O-NH1 3.16Å; D266-R270 PolarHBondContact N-O 2.88Å; D268-R270 VanDerWaalsContact C-N 3.29Å; D268-R270 VanDerWaalsContact CG-NE 3.3Å; D268-R270 PolarHBondContact O-N 3.3Å; D268-R270 VanDerWaalsContact OD1-CB 3.27Å; D268-R270 WeakPolarHBondContact OD1-CB 3.35Å; D268-R270 WeakPolarHBondContact OD1-CG 3.46Å; D268-R270 PolarHBondContact OD1-N 3.5Å; D268-R270 IonicContact OD1-NE 3.32Å; D268-R270 PolarHBondContact OD1-NE 3.32Å; D268-R270 IonicContact OD2-CZ 3.98Å; D268-R270 IonicContact OD2-NE 3.67Å; D268-R270 PolarHBondContact OD2-NE 3.47Å; D268-R270 IonicContact OD2-NH2 2.88Å; D268-R270 PolarHBondContact OD2-NH2 3.22Å
271P86.4Confident86.8Confident99 Ų9955.1 Ų55.164%0.64329%0.294SS*.PPolyproline II helixtrans-64.8146.6170.329.7-34000109.8Q273P271-Q273 PolarHBondContact O-N 2.9Å
272V86.5Confident85.9Confident26 Ų2650.9 Ų50.916%0.15828%0.281CS..PPolyproline II helixtrans-73.6127.6175.6-179.20000109.2E227 L231 C256 A259 D274E227-V272 WeakPolarHBondContact OE1-CG1 3.24Å; L231-V272 HydrophobicContact CD1-CG2 3.64Å; L231-V272 HydrophobicContact CD2-CB 4.22Å; L231-V272 HydrophobicContact CD2-CG1 3.67Å; L231-V272 HydrophobicContact CD2-CG2 3.53Å; L231-V272 HydrophobicContact CG-CG2 4.24Å; C256-V272 HydrophobicContact CB-CG1 4.06Å; A259-V272 HydrophobicContact CB-CB 3.65Å; A259-V272 HydrophobicContact CB-CG1 3.98Å; A259-V272 HydrophobicContact CB-CG2 3.52Å; V272-D274 PolarHBondContact O-N 2.89Å
273Q83.2Confident84.9Confident84 Ų8450.7 Ų50.739%0.39329%0.289SS..PPolyproline II helixtrans-66.4131.5179.9-171.7-178.55.200110.5C256 P271 Y275C256-Q273 WeakPolarHBondContact CB-O 3.48Å; P271-Q273 PolarHBondContact O-N 2.9Å; Q273-Y275 PolarHBondContact O-N 2.8Å
274D85.1Confident83.7Confident14 Ų1452.3 Ų52.38%0.07528%0.278CS..  trans-88.292.1174.4-175.515000112.5R260 V272 L276 S277 S280 R300R260-D274 IonicContact CZ-OD2 2.73Å; R260-D274 IonicContact NH1-OD1 2.64Å; R260-D274 PolarHBondContact NH1-OD1 3.33Å; R260-D274 IonicContact NH1-OD2 2.62Å; R260-D274 PolarHBondContact NH1-OD2 3.32Å; R260-D274 IonicContact NH2-OD2 2.61Å; R260-D274 PolarHBondContact NH2-OD2 3.3Å; V272-D274 PolarHBondContact O-N 2.89Å; D274-L276 PolarHBondContact O-N 3.22Å; D274-L276 WeakPolarHBondContact OD1-CA 3.2Å; D274-L276 PolarHBondContact OD1-N 3.23Å; D274-S277 VanDerWaalsContact CG-N 3.34Å; D274-S277 PolarHBondContact O-N 3.3Å; D274-S277 PolarHBondContact O-OG 3.12Å; D274-S277 PolarHBondContact OD1-N 3.01Å; D274-S277 WeakPolarHBondContact OD2-CB 3.32Å; D274-S277 PolarHBondContact OD2-N 3.43Å; D274-S280 VanDerWaalsContact O-CB 3.25Å; D274-S280 WeakPolarHBondContact O-CB 3.41Å; D274-R300 IonicContact OD1-CZ 3.34Å; D274-R300 IonicContact OD1-NE 3.27Å; D274-R300 PolarHBondContact OD1-NE 3.4Å; D274-R300 IonicContact OD1-NH2 2.65Å; D274-R300 PolarHBondContact OD1-NH2 3.35Å; D274-R300 WeakPolarHBondContact OD2-CD 3.38Å; D274-R300 IonicContact OD2-CZ 3.41Å; D274-R300 IonicContact OD2-NE 2.69Å; D274-R300 PolarHBondContact OD2-NE 3.42Å; D274-R300 IonicContact OD2-NH2 3.5Å
275Y82.8Confident82.7Confident50 Ų5053.8 Ų53.820%0.19629%0.289CS..THydrogen-bonded Turntrans-72.7-1.2175.156.7-100.1000114.5W192 P254 S255 C256 Q273W192-Y275 PolarHBondContact O-OH 3.47Å; P254-Y275 VanDerWaalsContact CA-OH 3.3Å; P254-Y275 WeakPolarHBondContact CA-OH 3.37Å; P254-Y275 HydrophobicContact CB-CE2 4.05Å; P254-Y275 VanDerWaalsContact CB-OH 3.28Å; P254-Y275 WeakPolarHBondContact CB-OH 3.32Å; S255-Y275 PolarHBondContact N-OH 3.18Å; S255-Y275 PolarHBondContact OG-OH 3.46Å; C256-Y275 HydrophobicContact CB-CD1 4.24Å; C256-Y275 HydrophobicContact CB-CE1 3.96Å; Q273-Y275 PolarHBondContact O-N 2.8Å
276L84.4Confident81.6Confident24 Ų2452.3 Ų52.313%0.12630%0.301CS..THydrogen-bonded Turntrans-107.93.1172.3-56.6177.9000113.2P254 D274 V301 I306P254-L276 HydrophobicContact CB-CD1 3.91Å; P254-L276 HydrophobicContact CG-CD1 3.57Å; D274-L276 PolarHBondContact O-N 3.22Å; D274-L276 WeakPolarHBondContact OD1-CA 3.2Å; D274-L276 PolarHBondContact OD1-N 3.23Å; L276-V301 PolarHBondContact O-N 3.18Å; L276-I306 HydrophobicContact CD2-CD1 4.06Å
277S84.3Confident80.8Confident6 Ų655.4 Ų55.44%0.04234%0.335CS..BIsolated β-bridgetrans-66.3146.4171.960.60000110.3D274 S279 S280 V281 L299D274-S277 VanDerWaalsContact CG-N 3.34Å; D274-S277 PolarHBondContact O-N 3.3Å; D274-S277 PolarHBondContact O-OG 3.12Å; D274-S277 PolarHBondContact OD1-N 3.01Å; D274-S277 WeakPolarHBondContact OD2-CB 3.32Å; D274-S277 PolarHBondContact OD2-N 3.43Å; S277-S279 PolarHBondContact O-N 3.25Å; S277-S279 PolarHBondContact OG-OG 2.77Å; S277-S280 PolarHBondContact O-N 3.03Å; S277-S280 VanDerWaalsContact O-N 3.13Å; S277-S280 WeakPolarHBondContact OG-CB 3.43Å; S277-S280 PolarHBondContact OG-N 2.94Å; S277-V281 WeakPolarHBondContact O-CG2 3.06Å; S277-V281 PolarHBondContact O-N 2.61Å; S277-L299 WeakPolarHBondContact CA-O 3.42Å
278L81.1Confident80.6Confident53 Ų5355 Ų5528%0.27733%0.333SS..Hα-helixtrans-57.4-39.6176.9-83.2168.4000111.4V281 L282 L295 L299 V301L278-V281 PolarHBondContact O-N 2.9Å; L278-L282 VanDerWaalsContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CB 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 3.19Å; L278-L295 HydrophobicContact CB-CD1 4.3Å; L278-L299 HydrophobicContact CB-CB 4.47Å; L278-L299 HydrophobicContact CD1-CB 3.69Å; L278-L299 HydrophobicContact CD1-CD1 4.46Å; L278-L299 HydrophobicContact CG-CB 4.45Å; L278-L299 PolarHBondContact N-O 2.79Å; L278-V301 HydrophobicContact CD2-CG2 3.56Å; L278-V301 HydrophobicContact CG-CG2 4.16Å
279S78.9Confident80Confident22 Ų2252.3 Ų52.315%0.15433%0.325CS..Hα-helixtrans-61.5-46176.156.70000111.5S277 L282 S283 A292S277-S279 PolarHBondContact O-N 3.25Å; S277-S279 PolarHBondContact OG-OG 2.77Å; S279-L282 PolarHBondContact O-N 3.23Å; S279-S283 WeakPolarHBondContact O-CB 3.47Å; S279-S283 PolarHBondContact O-N 3.3Å; S279-A292 WeakPolarHBondContact CB-O 3.4Å; S279-A292 WeakPolarHBondContact O-CB 3.31Å
280S79.1Confident79.7Confident13 Ų1358.3 Ų58.39%0.09134%0.336CS..Hα-helixtrans-67-38.6177.3-1680000112.5D274 S277 S283 H284D274-S280 VanDerWaalsContact O-CB 3.25Å; D274-S280 WeakPolarHBondContact O-CB 3.41Å; S277-S280 PolarHBondContact O-N 3.03Å; S277-S280 VanDerWaalsContact O-N 3.13Å; S277-S280 WeakPolarHBondContact OG-CB 3.43Å; S277-S280 PolarHBondContact OG-N 2.94Å; S280-S283 PolarHBondContact O-OG 3.05Å; S280-H284 PolarHBondContact O-CE1 3.48Å; S280-H284 PolarHBondContact O-ND1 3.27Å
281V78.6Confident79.4Confident57 Ų5757.1 Ų57.135%0.34534%0.336SS..Hα-helixtrans-65.3-48.2176.41730000110.4S277 L278 S283 H284 V301S277-V281 WeakPolarHBondContact O-CG2 3.06Å; S277-V281 PolarHBondContact O-N 2.61Å; L278-V281 PolarHBondContact O-N 2.9Å; V281-S283 VanDerWaalsContact C-N 3.34Å; V281-S283 PolarHBondContact O-N 3.06Å; V281-H284 PolarHBondContact O-N 2.78Å; V281-V301 HydrophobicContact CB-CG2 4.24Å; V281-V301 HydrophobicContact CG1-CG2 4.4Å; V281-V301 HydrophobicContact CG2-CG2 3.91Å
282L77.5Confident79.1Confident37 Ų3753.1 Ų53.119%0.19431%0.311CS..Hα-helixtrans-68.1-30.8-176.9-74.3165.6000113.3L278 S279 H284 V285 V288 G289 L291 A292 L295L278-L282 VanDerWaalsContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CB 3.25Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 3.19Å; S279-L282 PolarHBondContact O-N 3.23Å; L282-H284 PolarHBondContact O-N 2.92Å; L282-V285 PolarHBondContact O-N 3.24Å; L282-V288 HydrophobicContact CD2-CG2 3.79Å; L282-G289 VanDerWaalsContact O-CA 3.26Å; L282-G289 WeakPolarHBondContact O-CA 3.31Å; L282-L291 HydrophobicContact CD1-CB 4.49Å; L282-A292 HydrophobicContact CB-CB 4.32Å; L282-L295 HydrophobicContact CD1-CD1 3.1Å
283S74.6Confident78.8Confident56 Ų5657 Ų5739%0.39234%0.339SS..THydrogen-bonded Turntrans-60.7-17.4176.165.80000113.3S279 S280 V281S279-S283 WeakPolarHBondContact O-CB 3.47Å; S279-S283 PolarHBondContact O-N 3.3Å; S280-S283 PolarHBondContact O-OG 3.05Å; V281-S283 VanDerWaalsContact C-N 3.34Å; V281-S283 PolarHBondContact O-N 3.06Å
284H69.3Low78.7Confident99 Ų9961.5 Ų61.546%0.45835%0.354SS..THydrogen-bonded Turntrans-103.7-2.7177.8-58.391.9000113.5I222 S280 V281 L282I222-H284 VanDerWaalsContact CD1-NE2 3.31Å; I222-H284 WeakPolarHBondContact CD1-NE2 3.45Å; S280-H284 PolarHBondContact O-CE1 3.48Å; S280-H284 PolarHBondContact O-ND1 3.27Å; V281-H284 PolarHBondContact O-N 2.78Å; L282-H284 PolarHBondContact O-N 2.92Å
285V73.4Confident78.6Confident66 Ų6663.3 Ų63.340%0.436%0.363SS..SBendtrans-92119.3176-174.50000109.5L282 G287 V288 G289L282-V285 PolarHBondContact O-N 3.24Å; V285-G287 PolarHBondContact O-N 3.36Å; V285-V288 HydrophobicContact CB-CG2 3.62Å; V285-V288 HydrophobicContact CG1-CG2 3.48Å; V285-V288 VanDerWaalsContact CG1-CG2 3.48Å; V285-V288 PolarHBondContact O-N 3.34Å; V285-G289 PolarHBondContact O-N 3.29Å
286S71.3Confident78.5Confident118 Ų11863.5 Ų63.583%0.82537%0.371SS*.THydrogen-bonded Turntrans-59.9135.5177.746.70000111.2V288S286-V288 VanDerWaalsContact C-N 3.32Å; S286-V288 PolarHBondContact O-N 3.5Å
287G73Confident78Confident74 Ų7466.4 Ų66.476%0.76339%0.393SS*.THydrogen-bonded Turntrans86.8-22178.100000115.9V285V285-G287 PolarHBondContact O-N 3.36Å
288V81.4Confident77.8Confident51 Ų5173.3 Ų73.331%0.30942%0.422SS..THydrogen-bonded Turntrans-1224.1-179.9-63.70000114.3L282 V285 S286 W290 L291L282-V288 HydrophobicContact CD2-CG2 3.79Å; V285-V288 HydrophobicContact CB-CG2 3.62Å; V285-V288 HydrophobicContact CG1-CG2 3.48Å; V285-V288 VanDerWaalsContact CG1-CG2 3.48Å; V285-V288 PolarHBondContact O-N 3.34Å; S286-V288 VanDerWaalsContact C-N 3.32Å; S286-V288 PolarHBondContact O-N 3.5Å; V288-W290 PolarHBondContact O-N 3.27Å; V288-L291 HydrophobicContact CB-CD1 4.25Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.98Å
289G75.1Confident78Confident26 Ų2673.9 Ų73.927%0.26843%0.425SS..G310 helixtrans-57.1-23.6-179.600000115.4L282 V285 L291 A292L282-G289 VanDerWaalsContact O-CA 3.26Å; L282-G289 WeakPolarHBondContact O-CA 3.31Å; V285-G289 PolarHBondContact O-N 3.29Å; G289-L291 PolarHBondContact O-N 3.35Å; G289-A292 WeakPolarHBondContact O-CB 3.29Å; G289-A292 PolarHBondContact O-N 3.06Å; G289-A292 VanDerWaalsContact O-N 3.16Å
290W80Confident78.3Confident163 Ų16376.1 Ų76.162%0.61743%0.43SS*.G310 helixtrans-64-26.9174.968.7-91.4000113.2V288 A292 S293 Y294V288-W290 PolarHBondContact O-N 3.27Å; W290-A292 PolarHBondContact O-N 3.1Å; W290-S293 PolarHBondContact O-N 3.35Å; W290-Y294 HydrophobicContact CE3-CD2 4.11Å; W290-Y294 AromaticContact CE3-CE2 3.96Å; W290-Y294 HydrophobicContact CE3-CE2 3.96Å; W290-Y294 HydrophobicContact CZ3-CD2 4.26Å; W290-Y294 HydrophobicContact CZ3-CE2 4.21Å; W290-Y294 WeakPolarHBondContact O-CD2 3.45Å
291L81.5Confident78.5Confident62 Ų6276.4 Ų76.433%0.32543%0.432SS..G310 helixtrans-67.6-24.9176.4-72.5171.6000112.2L282 V288 G289 S293 Y294 L295L282-L291 HydrophobicContact CD1-CB 4.49Å; V288-L291 HydrophobicContact CB-CD1 4.25Å; V288-L291 WeakPolarHBondContact O-CB 3.38Å; V288-L291 PolarHBondContact O-N 2.98Å; G289-L291 PolarHBondContact O-N 3.35Å; L291-S293 PolarHBondContact O-N 3.08Å; L291-Y294 PolarHBondContact O-N 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.34Å; L291-L295 PolarHBondContact O-N 3.27Å
292A79Confident78.9Confident15 Ų1576.4 Ų76.412%0.12443%0.433CS..G310 helixtrans-57.7-34.2179.900000112.4S279 L282 G289 W290 Y294 L295S279-A292 WeakPolarHBondContact CB-O 3.4Å; S279-A292 WeakPolarHBondContact O-CB 3.31Å; L282-A292 HydrophobicContact CB-CB 4.32Å; G289-A292 WeakPolarHBondContact O-CB 3.29Å; G289-A292 PolarHBondContact O-N 3.06Å; G289-A292 VanDerWaalsContact O-N 3.16Å; W290-A292 PolarHBondContact O-N 3.1Å; A292-Y294 VanDerWaalsContact C-N 3.26Å; A292-Y294 PolarHBondContact O-N 3.13Å; A292-L295 PolarHBondContact O-N 3.4Å
293S80.3Confident79.3Confident106 Ų10679.9 Ų79.974%0.74145%0.446SS*.G310 helixtrans-69.6-20.9179.8-54.40000113.8W290 L291W290-S293 PolarHBondContact O-N 3.35Å; L291-S293 PolarHBondContact O-N 3.08Å
294Y82.7Confident79.7Confident179 Ų17985 Ų8570%0.70246%0.457SS*.G310 helixtrans-100.9-7.5-178.6-65.4-80.6000113W290 L291 A292W290-Y294 HydrophobicContact CE3-CD2 4.11Å; W290-Y294 AromaticContact CE3-CE2 3.96Å; W290-Y294 HydrophobicContact CE3-CE2 3.96Å; W290-Y294 HydrophobicContact CZ3-CD2 4.26Å; W290-Y294 HydrophobicContact CZ3-CE2 4.21Å; W290-Y294 WeakPolarHBondContact O-CD2 3.45Å; L291-Y294 PolarHBondContact O-N 3.25Å; A292-Y294 VanDerWaalsContact C-N 3.26Å; A292-Y294 PolarHBondContact O-N 3.13Å
295L81.9Confident80.5Confident53 Ų5383.6 Ų83.628%0.27745%0.452SS..SBendtrans-94.9127.9-175.6-75.5167.9000111.7L278 L282 L291 A292 S297 L299L278-L295 HydrophobicContact CB-CD1 4.3Å; L282-L295 HydrophobicContact CD1-CD1 3.1Å; L291-L295 WeakPolarHBondContact O-CG 3.34Å; L291-L295 PolarHBondContact O-N 3.27Å; A292-L295 PolarHBondContact O-N 3.4Å; L295-S297 PolarHBondContact O-N 2.99Å; L295-L299 HydrophobicContact CD2-CD1 4.34Å
296P81.1Confident81Confident54 Ų5482.5 Ų82.535%0.35144%0.444SS..  trans-58.7134.8174.1-19.227000111.7F298 L299P296-F298 HydrophobicContact CB-CD1 3.47Å; P296-F298 VanDerWaalsContact CB-CD1 3.47Å; P296-F298 HydrophobicContact CB-CE1 3.15Å; P296-F298 HydrophobicContact CB-CE2 4.32Å; P296-F298 HydrophobicContact CB-CG 4.19Å; P296-F298 HydrophobicContact CB-CZ 3.62Å; P296-F298 HydrophobicContact CG-CE1 3.86Å; P296-F298 HydrophobicContact CG-CZ 3.94Å; P296-F298 PolarHBondContact O-N 3.1Å; P296-F298 VanDerWaalsContact O-N 3.1Å; P296-L299 HydrophobicContact CB-CG 4.4Å; P296-L299 HydrophobicContact CG-CD1 4.18Å; P296-L299 HydrophobicContact CG-CG 4.47Å; P296-L299 PolarHBondContact O-N 3.43Å
297S74.8Confident81.5Confident85 Ų8579.5 Ų79.559%0.59443%0.426SS*.THydrogen-bonded Turntrans-65.6-13.1-17957.70000114.5L295L295-S297 PolarHBondContact O-N 2.99Å
298F80.1Confident82Confident150 Ų15081.5 Ų81.566%0.65842%0.419SS*.THydrogen-bonded Turntrans-81.1-18.5174.667.5-103000113.3P296 R300P296-F298 HydrophobicContact CB-CD1 3.47Å; P296-F298 VanDerWaalsContact CB-CD1 3.47Å; P296-F298 HydrophobicContact CB-CE1 3.15Å; P296-F298 HydrophobicContact CB-CE2 4.32Å; P296-F298 HydrophobicContact CB-CG 4.19Å; P296-F298 HydrophobicContact CB-CZ 3.62Å; P296-F298 HydrophobicContact CG-CE1 3.86Å; P296-F298 HydrophobicContact CG-CZ 3.94Å; P296-F298 PolarHBondContact O-N 3.1Å; P296-F298 VanDerWaalsContact O-N 3.1Å; F298-R300 PolarHBondContact O-N 3.18Å
299L85.1Confident82.1Confident66 Ų6688.2 Ų88.235%0.34644%0.44SS..  trans-76.9125.6175.9-64.9178000109.3S277 L278 L295 P296S277-L299 WeakPolarHBondContact CA-O 3.42Å; L278-L299 HydrophobicContact CB-CB 4.47Å; L278-L299 HydrophobicContact CD1-CB 3.69Å; L278-L299 HydrophobicContact CD1-CD1 4.46Å; L278-L299 HydrophobicContact CG-CB 4.45Å; L278-L299 PolarHBondContact N-O 2.79Å; L295-L299 HydrophobicContact CD2-CD1 4.34Å; P296-L299 HydrophobicContact CB-CG 4.4Å; P296-L299 HydrophobicContact CG-CD1 4.18Å; P296-L299 HydrophobicContact CG-CG 4.47Å; P296-L299 PolarHBondContact O-N 3.43Å
300R85.6Confident82.5Confident68 Ų6888 Ų8826%0.25743%0.433SS..BIsolated β-bridgetrans-120.9151.1-177.6-56.6-175.290.7-1667.1110.6C256 D257 D274 F298 P302C256-R300 PolarHBondContact SG-NH2 2.95Å; C256-R300 VanDerWaalsContact SG-NH2 3.36Å; D257-R300 IonicContact OD1-CZ 3.07Å; D257-R300 IonicContact OD1-NH1 2.63Å; D257-R300 PolarHBondContact OD1-NH1 3.11Å; D257-R300 IonicContact OD1-NH2 2.66Å; D257-R300 PolarHBondContact OD1-NH2 2.98Å; D274-R300 IonicContact OD1-CZ 3.34Å; D274-R300 IonicContact OD1-NE 3.27Å; D274-R300 PolarHBondContact OD1-NE 3.4Å; D274-R300 IonicContact OD1-NH2 2.65Å; D274-R300 PolarHBondContact OD1-NH2 3.35Å; D274-R300 WeakPolarHBondContact OD2-CD 3.38Å; D274-R300 IonicContact OD2-CZ 3.41Å; D274-R300 IonicContact OD2-NE 2.69Å; D274-R300 PolarHBondContact OD2-NE 3.42Å; D274-R300 IonicContact OD2-NH2 3.5Å; F298-R300 PolarHBondContact O-N 3.18Å; R300-P302 VanDerWaalsContact O-CD 3.28Å; R300-P302 WeakPolarHBondContact O-CD 3.15Å
301V82.9Confident82.7Confident20 Ų2082.9 Ų82.912%0.12142%0.423CS..  trans-66.1121.8170-176.20000107.6L276 L278 V281 K303 I305 I306L276-V301 PolarHBondContact O-N 3.18Å; L278-V301 HydrophobicContact CD2-CG2 3.56Å; L278-V301 HydrophobicContact CG-CG2 4.16Å; V281-V301 HydrophobicContact CB-CG2 4.24Å; V281-V301 HydrophobicContact CG1-CG2 4.4Å; V281-V301 HydrophobicContact CG2-CG2 3.91Å; V301-K303 PolarHBondContact O-N 3.19Å; V301-I305 HydrophobicContact CG1-CB 3.99Å; V301-I305 HydrophobicContact CG1-CG2 4.06Å; V301-I306 HydrophobicContact CB-CD1 4.34Å; V301-I306 HydrophobicContact CB-CG1 4.26Å; V301-I306 HydrophobicContact CG1-CD1 4.29Å; V301-I306 HydrophobicContact CG1-CG1 3.67Å
302P86.1Confident82.6Confident56 Ų5688.4 Ų88.436%0.36444%0.444SS..  trans-55.4131.7172-2332000110.4R300 W304 I305 I306R300-P302 VanDerWaalsContact O-CD 3.28Å; R300-P302 WeakPolarHBondContact O-CD 3.15Å; P302-W304 HydrophobicContact CB-CD2 4.43Å; P302-W304 HydrophobicContact CB-CG 4.29Å; P302-W304 HydrophobicContact CB-CZ2 4.42Å; P302-W304 PolarHBondContact O-N 3.11Å; P302-W304 VanDerWaalsContact O-N 3.08Å; P302-I305 HydrophobicContact CB-CD1 4.37Å; P302-I305 HydrophobicContact CB-CG1 4.21Å; P302-I305 HydrophobicContact CG-CD1 3.98Å; P302-I305 HydrophobicContact CG-CG1 4.37Å; P302-I305 WeakPolarHBondContact O-CB 3.47Å; P302-I305 PolarHBondContact O-N 3.48Å; P302-I306 PolarHBondContact O-N 2.7Å
303K85.3Confident82.4Confident110 Ų110100.2 Ų100.248%0.47849%0.493SS..Hα-helixtrans-58.3-29-174.5-65.9-175.5178.1-174.40113.7D257 V301 I305 I306 A307D257-K303 WeakPolarHBondContact OD2-CE 3.39Å; D257-K303 IonicContact OD2-NZ 2.66Å; D257-K303 PolarHBondContact OD2-NZ 3.3Å; V301-K303 PolarHBondContact O-N 3.19Å; K303-I305 VanDerWaalsContact C-N 3.3Å; K303-I305 PolarHBondContact O-N 3.32Å; K303-I306 WeakPolarHBondContact O-CB 3.11Å; K303-I306 PolarHBondContact O-N 3.39Å; K303-A307 PolarHBondContact O-N 3.47Å
304W84.3Confident82.5Confident164 Ų16499.9 Ų99.962%0.62148%0.48SS*.Hα-helixtrans-67.2-30.3175.664.2-99.1000112.4P302 A307 L308P302-W304 HydrophobicContact CB-CD2 4.43Å; P302-W304 HydrophobicContact CB-CG 4.29Å; P302-W304 HydrophobicContact CB-CZ2 4.42Å; P302-W304 PolarHBondContact O-N 3.11Å; P302-W304 VanDerWaalsContact O-N 3.08Å; W304-A307 PolarHBondContact O-N 3.44Å; W304-L308 HydrophobicContact CE3-CD1 3.51Å; W304-L308 HydrophobicContact CE3-CG 4.43Å; W304-L308 HydrophobicContact CZ3-CD1 3.64Å; W304-L308 WeakPolarHBondContact O-CB 3.39Å; W304-L308 VanDerWaalsContact O-CG 3.3Å; W304-L308 WeakPolarHBondContact O-CG 3.31Å; W304-L308 PolarHBondContact O-N 2.85Å
305I85.6Confident82.5Confident69 Ų6995.7 Ų95.735%0.35447%0.469SS..Hα-helixtrans-67.4-42.7172.6-63.2-173.5000109.9V301 P302 K303 A307 L308 Y309V301-I305 HydrophobicContact CG1-CB 3.99Å; V301-I305 HydrophobicContact CG1-CG2 4.06Å; P302-I305 HydrophobicContact CB-CD1 4.37Å; P302-I305 HydrophobicContact CB-CG1 4.21Å; P302-I305 HydrophobicContact CG-CD1 3.98Å; P302-I305 HydrophobicContact CG-CG1 4.37Å; P302-I305 WeakPolarHBondContact O-CB 3.47Å; P302-I305 PolarHBondContact O-N 3.48Å; K303-I305 VanDerWaalsContact C-N 3.3Å; K303-I305 PolarHBondContact O-N 3.32Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.1Å; I305-L308 PolarHBondContact O-N 3.17Å; I305-Y309 WeakPolarHBondContact O-CB 3.41Å; I305-Y309 PolarHBondContact O-N 3.45Å
306I83.4Confident82.5Confident43 Ų4398.1 Ų98.122%0.22148%0.479CS..Hα-helixtrans-59-49.4175.5-56.5176.8000109.2L155 L276 V301 P302 K303 L308 Y309 T310L155-I306 HydrophobicContact CD1-CG2 3.71Å; L276-I306 HydrophobicContact CD2-CD1 4.06Å; V301-I306 HydrophobicContact CB-CD1 4.34Å; V301-I306 HydrophobicContact CB-CG1 4.26Å; V301-I306 HydrophobicContact CG1-CD1 4.29Å; V301-I306 HydrophobicContact CG1-CG1 3.67Å; P302-I306 PolarHBondContact O-N 2.7Å; K303-I306 WeakPolarHBondContact O-CB 3.11Å; K303-I306 PolarHBondContact O-N 3.39Å; I306-L308 PolarHBondContact O-N 3.17Å; I306-Y309 PolarHBondContact O-N 2.88Å; I306-T310 WeakPolarHBondContact O-CB 3.49Å; I306-T310 VanDerWaalsContact O-CG2 3.31Å; I306-T310 WeakPolarHBondContact O-CG2 3.48Å; I306-T310 PolarHBondContact O-N 3.47Å; I306-T310 PolarHBondContact O-OG1 2.9Å
307A81.5Confident82.6Confident56 Ų56100.7 Ų100.746%0.46349%0.487SS..Hα-helixtrans-57.6-47.2177.800000112.5K303 W304 I305 T310 S311K303-A307 PolarHBondContact O-N 3.47Å; W304-A307 PolarHBondContact O-N 3.44Å; I305-A307 VanDerWaalsContact C-N 3.33Å; I305-A307 PolarHBondContact O-N 3.1Å; A307-T310 CarbonylContact O-C 3.56Å; A307-T310 PolarHBondContact O-N 3.4Å; A307-T310 PolarHBondContact O-OG1 3.33Å; A307-T310 VanDerWaalsContact O-OG1 3.05Å; A307-S311 PolarHBondContact O-N 3.49Å
308L84.9Confident83.1Confident115 Ų115101.7 Ų101.760%0.60248%0.48SS*.Hα-helixtrans-61.9-46.4177.3-76.3175.8000112.3W304 I305 I306 T310 S311W304-L308 HydrophobicContact CE3-CD1 3.51Å; W304-L308 HydrophobicContact CE3-CG 4.43Å; W304-L308 HydrophobicContact CZ3-CD1 3.64Å; W304-L308 WeakPolarHBondContact O-CB 3.39Å; W304-L308 VanDerWaalsContact O-CG 3.3Å; W304-L308 WeakPolarHBondContact O-CG 3.31Å; W304-L308 PolarHBondContact O-N 2.85Å; I305-L308 PolarHBondContact O-N 3.17Å; I306-L308 PolarHBondContact O-N 3.17Å; L308-T310 PolarHBondContact O-N 2.77Å; L308-S311 WeakPolarHBondContact O-CB 3.44Å; L308-S311 PolarHBondContact O-N 2.95Å; L308-S311 VanDerWaalsContact O-N 3.09Å
309Y83.4Confident83.3Confident193 Ų19398.5 Ų98.576%0.75747%0.468SS*.Hα-helixtrans-61.2-33.9179.1178.8-100.9000112.1I305 I306I305-Y309 WeakPolarHBondContact O-CB 3.41Å; I305-Y309 PolarHBondContact O-N 3.45Å; I306-Y309 PolarHBondContact O-N 2.88Å
310T84.1Confident83.2Confident21 Ų21100.8 Ų100.813%0.12948%0.477CS..Hα-helixtrans-89.4-5.6179.660.50000113.2L155 I306 A307 L308L155-T310 HydrophobicContact CB-CG2 3.73Å; L155-T310 HydrophobicContact CD1-CG2 4.21Å; I306-T310 WeakPolarHBondContact O-CB 3.49Å; I306-T310 VanDerWaalsContact O-CG2 3.31Å; I306-T310 WeakPolarHBondContact O-CG2 3.48Å; I306-T310 PolarHBondContact O-N 3.47Å; I306-T310 PolarHBondContact O-OG1 2.9Å; A307-T310 CarbonylContact O-C 3.56Å; A307-T310 PolarHBondContact O-N 3.4Å; A307-T310 PolarHBondContact O-OG1 3.33Å; A307-T310 VanDerWaalsContact O-OG1 3.05Å; L308-T310 PolarHBondContact O-N 2.77Å
311S82.8Confident83Confident56 Ų56103.3 Ų103.339%0.39249%0.494SS..  trans-58.4143.9178.3-171.20000110.6A307 L308 F313A307-S311 PolarHBondContact O-N 3.49Å; L308-S311 WeakPolarHBondContact O-CB 3.44Å; L308-S311 PolarHBondContact O-N 2.95Å; L308-S311 VanDerWaalsContact O-N 3.09Å; S311-F313 PolarHBondContact OG-N 3.46Å; S311-F313 PolarHBondContact OG-O 3.15Å
312K79.8Confident83Confident178 Ų178110.3 Ų110.377%0.77453%0.525SS*.  trans-105.11.4171.9-57.2-57.6179.7-168.40112.5
313F74.9Confident82.7Confident262 Ų262115.2 Ų115.2100%1.14954%0.54SS*.  trans-1220176.5-60.5-79.9000109.9S311S311-F313 PolarHBondContact OG-N 3.46Å; S311-F313 PolarHBondContact OG-O 3.15Å

Retrieved 313 of 313 residues in 149.2 ms (Link to these results)

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