A0A077ZFA6_TRITR Loading...

membrane dipeptidase

AlphaFold DB , UniProt , Accession A0A077ZFA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low35.3Very low240 Ų240164.2 Ų164.2100%1.18284%0.839SS**  0117.60-71.7159.5-172.500107.5R3M1-R3 PolarHBondContact O-N 3.2Å
2K33.5Very low38.4Very low210 Ų210156.6 Ų156.691%0.91379%0.792SS**  trans-68.9125.6168.2-71.6-179.1175.9-178.30106.4E4K2-E4 PolarHBondContact O-N 3.21Å
3R31.5Very low41.3Very low246 Ų246149.1 Ų149.193%0.92876%0.759SS**  trans-73.3115.7163.2-77.6-179.7172.4174.2-3.9105.7M1 S5M1-R3 PolarHBondContact O-N 3.2Å; R3-S5 PolarHBondContact O-N 3.19Å
4E32.1Very low43.7Very low182 Ų182144.6 Ų144.685%0.8573%0.731SS**  trans-60.1134.4166.6-73165.4155.700107.8K2 V6K2-E4 PolarHBondContact O-N 3.21Å; E4-V6 PolarHBondContact O-N 3.25Å
5S29Very low45.6Very low111 Ų111135.5 Ų135.578%0.77669%0.689SS**  trans-65.9116.1173.245.90000107.8R3 S7R3-S5 PolarHBondContact O-N 3.19Å; S5-S7 PolarHBondContact O-N 3.29Å
6V29.1Very low48.1Very low141 Ų141127.6 Ų127.686%0.85565%0.65SS**  trans-55.6110.11591790000105.6E4 S8E4-V6 PolarHBondContact O-N 3.25Å; V6-S8 PolarHBondContact O-N 3.15Å; V6-S8 VanDerWaalsContact O-N 3.15Å
7S30.9Very low50.9Low84 Ų84120.1 Ų120.159%0.58761%0.612SS**  trans-54.4122.4173.8-173.50000107S5 M9S5-S7 PolarHBondContact O-N 3.29Å; S7-M9 PolarHBondContact O-N 3.21Å
8S29.9Very low53.5Low96 Ų96113.4 Ų113.467%0.67158%0.578SS**  trans-65.2110.817251.10000106.7V6 T10V6-S8 PolarHBondContact O-N 3.15Å; V6-S8 VanDerWaalsContact O-N 3.15Å; S8-T10 PolarHBondContact O-N 3.23Å; S8-T10 PolarHBondContact O-OG1 3.27Å
9M32.8Very low55.9Low172 Ų172107.6 Ų107.685%0.84755%0.548SS*.  trans-61.188.6166.4-73.8176.7173.200108.1S7 K11S7-M9 PolarHBondContact O-N 3.21Å; M9-K11 PolarHBondContact O-N 3.16Å; M9-K11 VanDerWaalsContact O-N 3.15Å
10T42.9Very low58.1Low120 Ų120102.2 Ų102.274%0.73652%0.52SS*.  trans-56.6117.7166.5-22.60000105.3S8 R12S8-T10 PolarHBondContact O-N 3.23Å; S8-T10 PolarHBondContact O-OG1 3.27Å; T10-R12 PolarHBondContact O-N 3.29Å
11K59.6Low60Low204 Ų20497.3 Ų97.389%0.88750%0.496SS*.  trans-59.2110.4177.7-76.5-173.1174.5-173.60107.7M9M9-K11 PolarHBondContact O-N 3.16Å; M9-K11 VanDerWaalsContact O-N 3.15Å
12R72.3Confident63Low73 Ų7385.9 Ų85.928%0.27544%0.439SS..  trans-64.9141.9175.2-58.5-178.5-172.3-159.9-1.8108.2T10 I65 E124T10-R12 PolarHBondContact O-N 3.29Å; R12-I65 HydrophobicContact CG-CG2 4.27Å; R12-E124 IonicContact CZ-OE1 3.95Å; R12-E124 PolarHBondContact NH1-O 3.13Å; R12-E124 VanDerWaalsContact NH2-CG 3.3Å; R12-E124 PolarHBondContact NH2-O 3.1Å; R12-E124 IonicContact NH2-OE1 3.17Å; R12-E124 PolarHBondContact NH2-OE1 3.31Å
13V76.6Confident66.1Low59 Ų5976 Ų7636%0.35840%0.397SS..  trans-62.2143.9171.9-178.50000107.7H41V13-H41 HydrophobicContact CG1-CB 3.91Å
14K74.4Confident69.3Low86 Ų8666.2 Ų66.237%0.37436%0.361SS..  trans-131.8140.6174.7-68.8-164.2168.7-122.20109.9
15G72.7Confident72.5Confident9 Ų963.7 Ų63.79%0.09335%0.347CS..  trans-69.9175163.400000111.8D39 T109G15-D39 CarbonylContact C-O 3.52Å; G15-D39 WeakPolarHBondContact CA-O 3.38Å; G15-T109 PolarHBondContact O-OG1 3.33Å
16S85.8Confident75.8Confident9 Ų958.9 Ų58.96%0.06331%0.314CS..  trans-160123.2163.7153.70000107.2D39 N199 Y251 R319 R325S16-D39 PolarHBondContact N-O 2.93Å; S16-D39 WeakPolarHBondContact O-CB 3.34Å; S16-D39 VanDerWaalsContact O-CG 3.25Å; S16-D39 VanDerWaalsContact O-O 3.1Å; S16-D39 VanDerWaalsContact O-OD2 3.07Å; S16-N199 WeakPolarHBondContact CA-ND2 3.45Å; S16-N199 WeakPolarHBondContact CB-OD1 3.4Å; S16-N199 PolarHBondContact OG-OD1 3.03Å; S16-Y251 WeakPolarHBondContact CB-OH 3.4Å; S16-Y251 PolarHBondContact OG-OH 3.49Å; S16-R319 PolarHBondContact O-NH2 2.89Å; S16-R319 PolarHBondContact OG-NE 3.25Å; S16-R319 PolarHBondContact OG-NH2 2.99Å; S16-R325 PolarHBondContact O-NH1 3.03Å; S16-R325 PolarHBondContact OG-NH2 3.2Å
17C95.4Very high79.1Confident0 Ų052.1 Ų52.10%027%0.273CS..  trans-128.7173.8-159.3-60.30000111.1R36 N37 T107 E108 N199 R255C17-R36 HydrophobicContact CB-CG 3.84Å; C17-R36 PolarHBondContact SG-NH1 2.7Å; C17-N37 WeakPolarHBondContact CA-O 3.43Å; C17-N37 WeakPolarHBondContact CB-O 3.48Å; C17-N37 PolarHBondContact SG-O 3.46Å; C17-N37 VanDerWaalsContact SG-O 3.42Å; C17-T107 PolarHBondContact SG-O 3.06Å; C17-E108 VanDerWaalsContact C-OE2 3.23Å; C17-E108 WeakPolarHBondContact CB-OE1 3.33Å; C17-E108 WeakPolarHBondContact CB-OE2 3.34Å; C17-N199 PolarHBondContact N-ND2 3.02Å; C17-N199 PolarHBondContact N-OD1 3.34Å; C17-N199 VanDerWaalsContact N-OD1 3.17Å; C17-N199 PolarHBondContact O-OD1 2.9Å; C17-N199 VanDerWaalsContact O-OD1 3.06Å; C17-R255 PolarHBondContact O-NH1 2.91Å
18T98.5Very high82.4Confident0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-135.9131161.7-40.70000108.2R36 N37 E108 R255 L295 I321T18-R36 WeakPolarHBondContact O-CA 3.45Å; T18-N37 PolarHBondContact N-O 2.86Å; T18-N37 PolarHBondContact O-N 2.78Å; T18-E108 VanDerWaalsContact C-OE2 3.26Å; T18-E108 VanDerWaalsContact CA-OE2 3.23Å; T18-E108 WeakPolarHBondContact CA-OE2 3.25Å; T18-E108 PolarHBondContact N-OE2 3.31Å; T18-R255 HydrophobicContact CG2-CB 4.47Å; T18-R255 PolarHBondContact OG1-NH1 3.19Å; T18-L295 WeakPolarHBondContact O-CD2 3.07Å; T18-I321 HydrophobicContact CG2-CD1 4.4Å; T18-I321 HydrophobicContact CG2-CG1 4.27Å; T18-I321 HydrophobicContact CG2-CG2 3.96Å
19T98.9Very high85.7Confident2 Ų251 Ų511%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-114.6139.7-174.4-61.50000111L21 S35 E108 W175 V196 A197T19-L21 HydrophobicContact CG2-CD2 3.62Å; T19-L21 HydrophobicContact CG2-CG 4.17Å; T19-S35 CarbonylContact C-O 3.43Å; T19-S35 VanDerWaalsContact CA-O 3.23Å; T19-S35 WeakPolarHBondContact CA-O 3.42Å; T19-S35 VanDerWaalsContact CG2-O 3.29Å; T19-S35 WeakPolarHBondContact CG2-O 3.25Å; T19-E108 WeakPolarHBondContact CB-OE2 3.17Å; T19-E108 PolarHBondContact N-OE2 2.77Å; T19-E108 VanDerWaalsContact N-OE2 3.07Å; T19-E108 PolarHBondContact OG1-OE2 2.84Å; T19-W175 HydrophobicContact CG2-CH2 3.89Å; T19-W175 HydrophobicContact CG2-CZ3 3.68Å; T19-V196 CarbonylContact O-C 3.29Å; T19-V196 WeakPolarHBondContact O-CA 3.2Å; T19-A197 PolarHBondContact N-O 2.73Å; T19-A197 PolarHBondContact O-N 2.87Å
20V98.9Very high88.8Confident0 Ų043.4 Ų43.40%022%0.218CC..EExtended strand (participates in β ladder)trans-127.5130.2170.7-179.40000109.6V22 S35 V195 V196 V291 V294 L295V20-V22 HydrophobicContact CG1-CG2 4.46Å; V20-S35 WeakPolarHBondContact CB-OG 3.22Å; V20-S35 PolarHBondContact N-O 3.15Å; V20-S35 PolarHBondContact O-N 2.95Å; V20-S35 PolarHBondContact O-OG 3.33Å; V20-V195 WeakPolarHBondContact CA-O 3.33Å; V20-V196 HydrophobicContact CG2-CG1 4.34Å; V20-V196 HydrophobicContact CG2-CG2 4.28Å; V20-V291 HydrophobicContact CB-CG1 4.29Å; V20-V291 HydrophobicContact CG1-CG1 4.39Å; V20-V291 HydrophobicContact CG1-CG2 4.28Å; V20-V294 HydrophobicContact CG2-CG1 4.2Å; V20-L295 HydrophobicContact CG2-CD2 3.99Å; V20-L295 HydrophobicContact CG2-CG 4.34Å
21L99Very high91.5Very high0 Ų037.7 Ų37.70%018%0.183CC..EExtended strand (participates in β ladder)trans-120141.5-179.1-46177.1000109.5T19 I33 I34 A166 V173 W175 I189 Y194 V195T19-L21 HydrophobicContact CG2-CD2 3.62Å; T19-L21 HydrophobicContact CG2-CG 4.17Å; L21-I33 WeakPolarHBondContact CA-O 3.49Å; L21-I34 HydrophobicContact CD2-CB 3.95Å; L21-I34 HydrophobicContact CD2-CG2 3.82Å; L21-A166 HydrophobicContact CD2-CB 3.63Å; L21-V173 HydrophobicContact CB-CG1 4.09Å; L21-V173 HydrophobicContact CD1-CG1 4.49Å; L21-W175 HydrophobicContact CD1-CB 3.94Å; L21-W175 HydrophobicContact CD1-CD2 4.13Å; L21-W175 HydrophobicContact CD1-CE3 3.84Å; L21-W175 HydrophobicContact CD1-CG 4.24Å; L21-W175 HydrophobicContact CD2-CE3 4.45Å; L21-I189 HydrophobicContact CB-CG1 4.46Å; L21-I189 HydrophobicContact CD1-CD1 4.14Å; L21-I189 HydrophobicContact CD1-CG1 3.92Å; L21-Y194 CarbonylContact O-C 3.59Å; L21-Y194 WeakPolarHBondContact O-CA 3.42Å; L21-Y194 VanDerWaalsContact O-CB 3.29Å; L21-Y194 WeakPolarHBondContact O-CB 3.12Å; L21-V195 HydrophobicContact CB-CB 4.03Å; L21-V195 HydrophobicContact CB-CG2 4.46Å; L21-V195 HydrophobicContact CD1-CB 4.04Å; L21-V195 HydrophobicContact CD1-CG1 4.32Å; L21-V195 HydrophobicContact CD1-CG2 4.24Å; L21-V195 HydrophobicContact CG-CB 4.11Å; L21-V195 PolarHBondContact N-O 2.86Å; L21-V195 PolarHBondContact O-N 2.83Å
22V99Very high93.3Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-139.3122.6179.9-1700000110.9V20 A26 I33 I286 V291V20-V22 HydrophobicContact CG1-CG2 4.46Å; V22-A26 HydrophobicContact CG1-CB 3.64Å; V22-I33 HydrophobicContact CB-CB 4.02Å; V22-I33 HydrophobicContact CB-CD1 4.3Å; V22-I33 HydrophobicContact CB-CG1 4.48Å; V22-I33 HydrophobicContact CG2-CB 4.24Å; V22-I33 HydrophobicContact CG2-CD1 4.4Å; V22-I33 PolarHBondContact N-O 3.01Å; V22-I33 PolarHBondContact O-N 2.91Å; V22-I33 VanDerWaalsContact O-N 3.11Å; V22-I286 HydrophobicContact CG1-CB 4.11Å; V22-I286 HydrophobicContact CG1-CD1 4.15Å; V22-I286 HydrophobicContact CG2-CB 4.46Å; V22-I286 HydrophobicContact CG2-CD1 4.17Å; V22-I286 HydrophobicContact CG2-CG2 4.01Å; V22-V291 HydrophobicContact CG2-CG2 4.16Å
23G98.9Very high94.6Very high2 Ų224.6 Ų24.62%0.02113%0.128CC..  trans-71.5156.8174.900000113.7K25 A26 S27 D191 A193G23-K25 PolarHBondContact O-N 3.24Å; G23-A26 WeakPolarHBondContact O-CB 3.35Å; G23-A26 PolarHBondContact O-N 3.23Å; G23-S27 PolarHBondContact O-N 3.06Å; G23-S27 VanDerWaalsContact O-N 3.15Å; G23-D191 CarbonylContact C-O 3.59Å; G23-D191 WeakPolarHBondContact CA-O 3.28Å; G23-A193 PolarHBondContact N-O 3.11Å
24K98.8Very high95.7Very high41 Ų4121.8 Ų21.818%0.17811%0.111CC..THydrogen-bonded Turntrans-62.8-12.7-17267.2174.8179.9-68.50117.1G30 S31 T32 D171 D191K24-G30 CarbonylContact O-C 3.58Å; K24-G30 VanDerWaalsContact O-CA 3.29Å; K24-G30 WeakPolarHBondContact O-CA 3.46Å; K24-S31 WeakPolarHBondContact CA-O 3.48Å; K24-T32 HydrophobicContact CB-CG2 3.97Å; K24-D171 WeakPolarHBondContact CD-O 3.37Å; K24-D171 PolarHBondContact NZ-O 2.97Å; K24-D191 HydrophobicContact CG-CB 4.33Å; K24-D191 PolarHBondContact N-O 2.64Å; K24-D191 VanDerWaalsContact NZ-CG 3.29Å; K24-D191 IonicContact NZ-OD1 2.81Å; K24-D191 PolarHBondContact NZ-OD1 3.01Å; K24-D191 IonicContact NZ-OD2 2.77Å; K24-D191 PolarHBondContact NZ-OD2 3.28Å
25K98.9Very high96.8Very high129 Ų12917.7 Ų17.756%0.5619%0.093SC*.THydrogen-bonded Turntrans-103.1-20.2172.5-65.5173.9-174.9138.40112.5G23 D191G23-K25 PolarHBondContact O-N 3.24Å; K25-D191 CarbonylContact C-O 3.54Å; K25-D191 VanDerWaalsContact CA-O 3.3Å; K25-D191 WeakPolarHBondContact CA-O 3.04Å; K25-D191 HydrophobicContact CB-CB 4.11Å; K25-D191 WeakPolarHBondContact CB-O 3.44Å; K25-D191 HydrophobicContact CD-CB 3.71Å; K25-D191 WeakPolarHBondContact CE-OD2 3.35Å; K25-D191 HydrophobicContact CG-CB 3.91Å; K25-D191 PolarHBondContact N-O 3.21Å; K25-D191 IonicContact NZ-OD2 3.21Å; K25-D191 PolarHBondContact NZ-OD2 3.19Å
26A98.9Very high98.1Very high9 Ų917.3 Ų17.37%0.0749%0.089CC..THydrogen-bonded Turntrans-75.7-27.4171.400000112.7V22 G23 D191 A193 K285 I286V22-A26 HydrophobicContact CG1-CB 3.64Å; G23-A26 WeakPolarHBondContact O-CB 3.35Å; G23-A26 PolarHBondContact O-N 3.23Å; A26-D191 PolarHBondContact N-O 3.42Å; A26-A193 WeakPolarHBondContact CB-O 3.39Å; A26-K285 CarbonylContact O-C 3.32Å; A26-K285 WeakPolarHBondContact O-CA 3.19Å; A26-I286 PolarHBondContact O-N 3.45Å
27S98.9Very high98.7Very high0 Ų016.9 Ų16.90%09%0.086CC..BIsolated β-bridgetrans-73.7155.4176.265.80000113.7G23 G30 S31 K285 I286G23-S27 PolarHBondContact O-N 3.06Å; G23-S27 VanDerWaalsContact O-N 3.15Å; S27-G30 WeakPolarHBondContact OG-CA 3.43Å; S27-G30 PolarHBondContact OG-N 3.04Å; S27-S31 WeakPolarHBondContact CB-O 3.28Å; S27-S31 PolarHBondContact OG-N 3.31Å; S27-S31 VanDerWaalsContact OG-N 3.09Å; S27-S31 PolarHBondContact OG-O 2.83Å; S27-K285 PolarHBondContact O-NZ 3.34Å; S27-I286 CarbonylContact C-O 3.49Å; S27-I286 WeakPolarHBondContact CA-O 3.29Å
28I98.8Very high98.8Very high91 Ų9117.3 Ų17.347%0.4679%0.089SC..SBendtrans-65.3-41.8-178.2-163.7164.7000112.6K285 I286 T287I28-K285 HydrophobicContact CB-CB 4.25Å; I28-K285 HydrophobicContact CG1-CB 4.48Å; I28-K285 PolarHBondContact O-NZ 2.99Å; I28-I286 PolarHBondContact N-O 3.17Å; I28-T287 HydrophobicContact CB-CG2 4.08Å; I28-T287 HydrophobicContact CD1-CG2 3.63Å; I28-T287 HydrophobicContact CG1-CG2 4.46Å; I28-T287 HydrophobicContact CG2-CG2 3.95Å
29D98.7Very high98.6Very high64 Ų6417.3 Ų17.334%0.3429%0.089SC..SBendtrans-102.7-6-17056.912.3000114S31 Q333D29-S31 VanDerWaalsContact OD1-CB 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.67Å; D29-S31 PolarHBondContact OD1-OG 3.21Å; D29-Q333 PolarHBondContact OD2-NE2 2.78Å
30G98.7Very high98Very high14 Ų1417.8 Ų17.814%0.1449%0.093CC..SBendtrans91.65.3-178.500000114.4K24 S27 N336K24-G30 CarbonylContact O-C 3.58Å; K24-G30 VanDerWaalsContact O-CA 3.29Å; K24-G30 WeakPolarHBondContact O-CA 3.46Å; S27-G30 WeakPolarHBondContact OG-CA 3.43Å; S27-G30 PolarHBondContact OG-N 3.04Å; G30-N336 PolarHBondContact O-ND2 2.85Å
31S98.9Very high97.3Very high0 Ų023.8 Ų23.80%012%0.121CC..  trans-71.6154.1173.158.20000113K24 S27 D29 Q333 I334K24-S31 WeakPolarHBondContact CA-O 3.48Å; S27-S31 WeakPolarHBondContact CB-O 3.28Å; S27-S31 PolarHBondContact OG-N 3.31Å; S27-S31 VanDerWaalsContact OG-N 3.09Å; S27-S31 PolarHBondContact OG-O 2.83Å; D29-S31 VanDerWaalsContact OD1-CB 3.26Å; D29-S31 WeakPolarHBondContact OD1-CB 3.49Å; D29-S31 PolarHBondContact OD1-N 2.67Å; D29-S31 PolarHBondContact OD1-OG 3.21Å; S31-Q333 PolarHBondContact OG-NE2 2.81Å; S31-I334 WeakPolarHBondContact CA-O 3.41Å; S31-I334 WeakPolarHBondContact CB-O 3.49Å
32T99Very high96.8Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-82.3146.9156.554.90000109.1K24 D169 V173 Q333 I334K24-T32 HydrophobicContact CB-CG2 3.97Å; T32-D169 WeakPolarHBondContact CB-O 3.4Å; T32-D169 WeakPolarHBondContact CG2-O 3.27Å; T32-D169 PolarHBondContact OG1-O 2.96Å; T32-V173 HydrophobicContact CG2-CG2 3.79Å; T32-Q333 WeakPolarHBondContact O-CA 3.42Å; T32-I334 PolarHBondContact N-O 3.29Å; T32-I334 VanDerWaalsContact N-O 3.1Å; T32-I334 PolarHBondContact O-N 2.75Å; T32-I334 VanDerWaalsContact O-N 3.1Å; T32-I334 WeakPolarHBondContact OG1-CB 3.34Å
33I99Very high96.1Very high1 Ų131.3 Ų31.31%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-135.7127178.4-53.5167000109.1L21 V22 I288 I331 L332 Q333L21-I33 WeakPolarHBondContact CA-O 3.49Å; V22-I33 HydrophobicContact CB-CB 4.02Å; V22-I33 HydrophobicContact CB-CD1 4.3Å; V22-I33 HydrophobicContact CB-CG1 4.48Å; V22-I33 HydrophobicContact CG2-CB 4.24Å; V22-I33 HydrophobicContact CG2-CD1 4.4Å; V22-I33 PolarHBondContact N-O 3.01Å; V22-I33 PolarHBondContact O-N 2.91Å; V22-I33 VanDerWaalsContact O-N 3.11Å; I33-I288 HydrophobicContact CD1-CD1 3.88Å; I33-I288 HydrophobicContact CG1-CD1 4.26Å; I33-I331 HydrophobicContact CG2-CG2 3.35Å; I33-L332 WeakPolarHBondContact CA-O 3.48Å; I33-Q333 HydrophobicContact CG1-CG 4.35Å
34I99Very high95.9Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-123136.7163.365.3176.1000108.6L21 A103 A166 V173 L332L21-I34 HydrophobicContact CD2-CB 3.95Å; L21-I34 HydrophobicContact CD2-CG2 3.82Å; I34-A103 HydrophobicContact CD1-CB 3.89Å; I34-A103 HydrophobicContact CG1-CB 4.24Å; I34-A166 HydrophobicContact CB-CB 3.92Å; I34-A166 HydrophobicContact CD1-CB 3.93Å; I34-A166 HydrophobicContact CG1-CB 4.46Å; I34-A166 HydrophobicContact CG2-CB 4.07Å; I34-V173 HydrophobicContact CG2-CG1 3.57Å; I34-V173 HydrophobicContact CG2-CG2 4.44Å; I34-L332 HydrophobicContact CD1-CD1 4.22Å; I34-L332 HydrophobicContact CG1-CB 3.87Å; I34-L332 HydrophobicContact CG1-CD1 4.23Å; I34-L332 HydrophobicContact CG1-CG 4.36Å; I34-L332 PolarHBondContact N-O 3.17Å; I34-L332 PolarHBondContact O-N 2.85Å
35S99Very high95.8Very high0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-150.8147.6-172.861.90000112.2T19 V20 V291 H330T19-S35 CarbonylContact C-O 3.43Å; T19-S35 VanDerWaalsContact CA-O 3.23Å; T19-S35 WeakPolarHBondContact CA-O 3.42Å; T19-S35 VanDerWaalsContact CG2-O 3.29Å; T19-S35 WeakPolarHBondContact CG2-O 3.25Å; V20-S35 WeakPolarHBondContact CB-OG 3.22Å; V20-S35 PolarHBondContact N-O 3.15Å; V20-S35 PolarHBondContact O-N 2.95Å; V20-S35 PolarHBondContact O-OG 3.33Å; S35-V291 WeakPolarHBondContact OG-CG1 3.26Å; S35-H330 CarbonylContact C-O 3.56Å; S35-H330 WeakPolarHBondContact CA-O 3.44Å; S35-H330 WeakPolarHBondContact CB-O 3.17Å
36R98.9Very high95.7Very high2 Ų229 Ų291%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-150.5141.7-179.6-179.8174.669.884.77.8111.2C17 T18 D38 A94 S105 A106 T107 E129 H330C17-R36 HydrophobicContact CB-CG 3.84Å; C17-R36 PolarHBondContact SG-NH1 2.7Å; T18-R36 WeakPolarHBondContact O-CA 3.45Å; R36-D38 IonicContact CZ-OD1 3.74Å; R36-D38 IonicContact NH1-OD1 3.75Å; R36-D38 PolarHBondContact NH1-OD1 2.71Å; R36-D38 IonicContact NH2-OD1 3.92Å; R36-D38 PolarHBondContact NH2-OD1 3.36Å; R36-D38 IonicContact NH2-OD2 3.95Å; R36-A94 PolarHBondContact NH2-O 3Å; R36-S105 PolarHBondContact NE-OG 2.87Å; R36-A106 PolarHBondContact NH2-O 3.13Å; R36-T107 WeakPolarHBondContact CD-O 3.41Å; R36-T107 PolarHBondContact NE-O 2.58Å; R36-T107 PolarHBondContact NH1-O 3.1Å; R36-E129 IonicContact NH1-OE1 3.45Å; R36-H330 WeakPolarHBondContact CB-NE2 3.23Å; R36-H330 PolarHBondContact N-O 3.2Å; R36-H330 PolarHBondContact O-N 3.02Å
37N98.7Very high95.7Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-81.5114.5159.4-81.81.7000108.4C17 T18 D39 L295 I321 N326 V329 N353C17-N37 WeakPolarHBondContact CA-O 3.43Å; C17-N37 WeakPolarHBondContact CB-O 3.48Å; C17-N37 PolarHBondContact SG-O 3.46Å; C17-N37 VanDerWaalsContact SG-O 3.42Å; T18-N37 PolarHBondContact N-O 2.86Å; T18-N37 PolarHBondContact O-N 2.78Å; N37-D39 WeakPolarHBondContact CB-OD1 3.24Å; N37-D39 PolarHBondContact O-N 3.18Å; N37-L295 PolarHBondContact ND2-O 2.82Å; N37-L295 WeakPolarHBondContact OD1-CB 3.2Å; N37-L295 PolarHBondContact OD1-O 3.41Å; N37-I321 PolarHBondContact ND2-O 3.2Å; N37-N326 PolarHBondContact ND2-ND2 2.78Å; N37-V329 WeakPolarHBondContact OD1-CG2 3.39Å; N37-N353 PolarHBondContact ND2-ND2 3.33Å; N37-N353 PolarHBondContact OD1-ND2 2.87Å
38D97.4Very high95.7Very high9 Ų931.7 Ų31.75%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-92.197.5177.5-168.227.2000108.8R36 A94 H327 N328R36-D38 IonicContact CZ-OD1 3.74Å; R36-D38 IonicContact NH1-OD1 3.75Å; R36-D38 PolarHBondContact NH1-OD1 2.71Å; R36-D38 IonicContact NH2-OD1 3.92Å; R36-D38 PolarHBondContact NH2-OD1 3.36Å; R36-D38 IonicContact NH2-OD2 3.95Å; D38-A94 WeakPolarHBondContact OD2-CB 3.5Å; D38-H327 WeakPolarHBondContact O-CB 3.36Å; D38-H327 PolarHBondContact O-N 3.44Å; D38-N328 WeakPolarHBondContact CB-ND2 3.33Å; D38-N328 WeakPolarHBondContact CB-OD1 3.47Å; D38-N328 PolarHBondContact N-O 3.02Å; D38-N328 PolarHBondContact O-N 2.75Å; D38-N328 PolarHBondContact OD2-ND2 2.9Å
39D94.1Very high95.7Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-114.1111.2-174.4-25.2-42.7000111.7G15 S16 N37 R319 I323 R325 N326G15-D39 CarbonylContact C-O 3.52Å; G15-D39 WeakPolarHBondContact CA-O 3.38Å; S16-D39 PolarHBondContact N-O 2.93Å; S16-D39 WeakPolarHBondContact O-CB 3.34Å; S16-D39 VanDerWaalsContact O-CG 3.25Å; S16-D39 VanDerWaalsContact O-O 3.1Å; S16-D39 VanDerWaalsContact O-OD2 3.07Å; N37-D39 WeakPolarHBondContact CB-OD1 3.24Å; N37-D39 PolarHBondContact O-N 3.18Å; D39-R319 IonicContact OD2-CZ 3.57Å; D39-R319 IonicContact OD2-NH1 3.91Å; D39-R319 PolarHBondContact OD2-NH1 2.83Å; D39-R319 IonicContact OD2-NH2 3.72Å; D39-R319 PolarHBondContact OD2-NH2 2.68Å; D39-I323 HydrophobicContact CB-CG2 4.36Å; D39-R325 WeakPolarHBondContact CA-O 3.17Å; D39-R325 HydrophobicContact CB-CG 4.07Å; D39-R325 VanDerWaalsContact CB-O 3.29Å; D39-R325 WeakPolarHBondContact CB-O 3.47Å; D39-R325 PolarHBondContact O-NH1 3.41Å; D39-N326 VanDerWaalsContact OD1-CA 3.32Å; D39-N326 WeakPolarHBondContact OD1-CA 3.2Å; D39-N326 PolarHBondContact OD1-ND2 2.67Å
40G86Confident95.7Very high11 Ų1125.3 Ų25.311%0.11313%0.134CC..  trans-75.3-175.6179.400000114.8R325 H327G40-R325 PolarHBondContact N-O 3.2Å; G40-R325 WeakPolarHBondContact O-CD 3.38Å; G40-R325 PolarHBondContact O-NH1 2.76Å; G40-H327 VanDerWaalsContact CA-CE1 3.44Å; G40-H327 WeakPolarHBondContact CA-CE1 3.37Å
41H84.5Confident95.7Very high126 Ų12625.1 Ų25.158%0.58313%0.13SC*.SBendtrans-70.8-48.1176.4179.8-87.2000112.4V13V13-H41 HydrophobicContact CG1-CB 3.91Å
42E88.1Confident95.7Very high121 Ų12126.2 Ų26.257%0.56514%0.136SC*.SBendtrans-79.8155.7174.6-61.2-52.1131.300110.8L44 H327E42-L44 PolarHBondContact O-N 2.83Å; E42-H327 PolarHBondContact O-NE2 2.86Å
43A85.8Confident95.7Very high38 Ų3827.7 Ų27.731%0.31414%0.143SC..SBendtrans-61.3-33.8176.600000112.9
44L93.9Very high95.6Very high86 Ų8630.1 Ų30.145%0.4516%0.159SC..  trans-135.1121.1-175-56.5174.2000110.6E42 Y385 W386 C389E42-L44 PolarHBondContact O-N 2.83Å; L44-Y385 WeakPolarHBondContact CA-OH 3.2Å; L44-W386 HydrophobicContact CD1-CZ3 4.18Å; L44-C389 HydrophobicContact CD2-CB 3.73Å; L44-C389 WeakPolarHBondContact CD2-SG 3.42Å
45D96Very high95.6Very high33 Ų3337.3 Ų37.318%0.17619%0.193CC..  trans-135.3109.4162.5-165.7-5.3000108.2Q47 N84 H327 Y385D45-Q47 WeakPolarHBondContact O-CG 3.42Å; D45-Q47 PolarHBondContact O-N 2.76Å; D45-Q47 PolarHBondContact O-NE2 2.78Å; D45-N84 PolarHBondContact OD2-ND2 2.59Å; D45-H327 WeakPolarHBondContact CB-CE1 3.42Å; D45-H327 PolarHBondContact N-NE2 3.4Å; D45-Y385 PolarHBondContact N-OH 3.04Å; D45-Y385 PolarHBondContact O-OH 3.01Å
46P97.3Very high95.6Very high3 Ų342.8 Ų42.82%0.01922%0.222CC..  trans-59.1126-168.320.8-32.2000113.5S85 I86 A375 Y385 W386P46-S85 VanDerWaalsContact C-OG 3.29Å; P46-S85 VanDerWaalsContact O-CB 3.24Å; P46-S85 WeakPolarHBondContact O-CB 3.32Å; P46-S85 PolarHBondContact O-N 3.01Å; P46-S85 PolarHBondContact O-OG 3.28Å; P46-I86 HydrophobicContact CG-CD1 3.87Å; P46-I86 HydrophobicContact CG-CG1 4.07Å; P46-A375 HydrophobicContact CB-CB 4.25Å; P46-Y385 VanDerWaalsContact CA-CE1 3.49Å; P46-Y385 HydrophobicContact CB-CD1 3.83Å; P46-Y385 HydrophobicContact CB-CE1 3.87Å; P46-Y385 HydrophobicContact CB-CG 4.39Å; P46-W386 HydrophobicContact CB-CZ2 3.91Å; P46-W386 HydrophobicContact CG-CH2 4.38Å; P46-W386 HydrophobicContact CG-CZ2 3.92Å
47Q98.3Very high95.5Very high0 Ų043.2 Ų43.20%022%0.224CC..BIsolated β-bridgetrans-101.3153.6-175-60.8-65.5-66.900112.1D45 M82 N84 H327 N328 Y350 A375 Y385D45-Q47 WeakPolarHBondContact O-CG 3.42Å; D45-Q47 PolarHBondContact O-N 2.76Å; D45-Q47 PolarHBondContact O-NE2 2.78Å; Q47-M82 PolarHBondContact OE1-O 3.22Å; Q47-N84 PolarHBondContact NE2-OD1 2.9Å; Q47-H327 HydrophobicContact CG-CB 3.66Å; Q47-N328 HydrophobicContact CG-CB 4.25Å; Q47-N328 PolarHBondContact OE1-ND2 2.73Å; Q47-Y350 HydrophobicContact CB-CD1 3.75Å; Q47-Y350 HydrophobicContact CB-CE1 3.37Å; Q47-Y350 HydrophobicContact CG-CD1 4.4Å; Q47-Y350 HydrophobicContact CG-CE1 4.39Å; Q47-A375 WeakPolarHBondContact O-CB 3.43Å; Q47-Y385 HydrophobicContact CB-CD2 3.9Å; Q47-Y385 HydrophobicContact CB-CE2 4.23Å; Q47-Y385 HydrophobicContact CG-CD2 4.06Å; Q47-Y385 HydrophobicContact CG-CE2 3.88Å
48R98.8Very high95.5Very high66 Ų6645.3 Ų45.325%0.24924%0.237CC..  trans-132142179.5-58.8172.257.6-133.4-4.4110.5V50 M82 P83 S85 Y350 K373 A375R48-V50 HydrophobicContact CB-CG2 3.85Å; R48-M82 CarbonylContact O-C 3.52Å; R48-M82 VanDerWaalsContact O-CA 3.25Å; R48-M82 WeakPolarHBondContact O-CA 3.45Å; R48-M82 WeakPolarHBondContact O-CE 3.22Å; R48-P83 HydrophobicContact CB-CG 4.43Å; R48-P83 PolarHBondContact N-O 2.87Å; R48-P83 VanDerWaalsContact O-CD 3.24Å; R48-P83 WeakPolarHBondContact O-CD 3.42Å; R48-S85 WeakPolarHBondContact CD-OG 3.4Å; R48-S85 VanDerWaalsContact CG-OG 3.24Å; R48-S85 WeakPolarHBondContact CG-OG 3.39Å; R48-Y350 WeakPolarHBondContact CA-OH 3.45Å; R48-K373 WeakPolarHBondContact CB-O 3.3Å; R48-K373 VanDerWaalsContact CG-O 3.3Å; R48-K373 WeakPolarHBondContact CG-O 3.26Å; R48-K373 PolarHBondContact NE-O 3.45Å; R48-A375 HydrophobicContact CG-CB 4.12Å
49F98.9Very high95.5Very high0 Ų050.1 Ų50.10%026%0.258CS..  trans-93.9123.6167.5-175.6-144.4000107.5T80 M82 H346 L348 Y350 F361 T368 Y372 K373F49-T80 HydrophobicContact CE2-CG2 4.1Å; F49-T80 HydrophobicContact CZ-CG2 4.24Å; F49-M82 HydrophobicContact CB-CE 4.34Å; F49-M82 HydrophobicContact CB-SD 4.11Å; F49-M82 HydrophobicContact CD2-SD 3.54Å; F49-M82 VanDerWaalsContact CD2-SD 3.54Å; F49-M82 HydrophobicContact CE2-SD 4.38Å; F49-M82 HydrophobicContact CG-SD 4.2Å; F49-H346 HydrophobicContact CE2-CB 4.31Å; F49-H346 AromaticContact CE2-CG 3.9Å; F49-H346 AromaticContact CE2-ND1 3.72Å; F49-H346 HydrophobicContact CZ-CB 4.29Å; F49-L348 HydrophobicContact CB-CD2 3.65Å; F49-L348 HydrophobicContact CD1-CD2 4.15Å; F49-L348 HydrophobicContact CD2-CD2 4.03Å; F49-L348 HydrophobicContact CG-CD2 3.7Å; F49-Y350 PolarHBondContact N-OH 3.46Å; F49-F361 AromaticContact CD1-CD2 3.97Å; F49-F361 HydrophobicContact CD1-CD2 3.97Å; F49-F361 HydrophobicContact CD1-CE2 4.32Å; F49-F361 HydrophobicContact CD1-CG 4.39Å; F49-F361 HydrophobicContact CE1-CB 3.65Å; F49-F361 HydrophobicContact CE1-CD1 4.44Å; F49-F361 AromaticContact CE1-CD2 3.57Å; F49-F361 HydrophobicContact CE1-CD2 3.57Å; F49-F361 HydrophobicContact CE1-CE2 4.34Å; F49-F361 AromaticContact CE1-CG 3.64Å; F49-F361 HydrophobicContact CE1-CG 3.64Å; F49-F361 HydrophobicContact CZ-CB 3.84Å; F49-F361 HydrophobicContact CZ-CD2 4.23Å; F49-F361 HydrophobicContact CZ-CG 4.28Å; F49-T368 HydrophobicContact CD1-CG2 3.5Å; F49-T368 VanDerWaalsContact CD1-CG2 3.5Å; F49-T368 HydrophobicContact CD2-CG2 4.27Å; F49-T368 HydrophobicContact CE1-CG2 3.61Å; F49-T368 HydrophobicContact CE2-CG2 4.38Å; F49-T368 HydrophobicContact CG-CG2 3.85Å; F49-T368 HydrophobicContact CZ-CG2 4.06Å; F49-T368 PolarHBondContact O-OG1 3.02Å; F49-Y372 PolarHBondContact N-O 3.25Å; F49-K373 WeakPolarHBondContact O-CA 3.3Å; F49-K373 WeakPolarHBondContact O-CB 3.34Å
50V98.9Very high95.6Very high21 Ų2156.5 Ų56.513%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-143.6130.3-171.4-179.90000110.3R48 T80 S81 P83R48-V50 HydrophobicContact CB-CG2 3.85Å; V50-T80 CarbonylContact O-C 3.46Å; V50-S81 PolarHBondContact N-O 2.81Å; V50-S81 PolarHBondContact O-N 3.4Å; V50-S81 PolarHBondContact O-OG 2.97Å; V50-P83 HydrophobicContact CB-CG 3.97Å; V50-P83 HydrophobicContact CG2-CG 3.68Å
51V98.9Very high96.2Very high10 Ų1056.4 Ų56.46%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-81.8129.9161.9169.80000109R78 Y79 T80 V365 N366 T368V51-R78 HydrophobicContact CG1-CG 3.56Å; V51-Y79 WeakPolarHBondContact CA-O 3.45Å; V51-T80 HydrophobicContact CG2-CG2 4.22Å; V51-V365 HydrophobicContact CG2-CG2 4.01Å; V51-N366 WeakPolarHBondContact CG1-O 3.3Å; V51-T368 HydrophobicContact CG2-CG2 3.97Å
52V98.9Very high96.9Very high23 Ų2355.8 Ų55.814%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-99.3120169.3-179.90000107.8D56 Q57 R78 Y79V52-D56 HydrophobicContact CG1-CB 4.26Å; V52-Q57 HydrophobicContact CG1-CB 4.31Å; V52-R78 WeakPolarHBondContact O-CA 3.26Å; V52-R78 WeakPolarHBondContact O-CG 3.25Å; V52-Y79 HydrophobicContact CB-CD1 3.94Å; V52-Y79 HydrophobicContact CB-CE1 3.45Å; V52-Y79 VanDerWaalsContact CB-CE1 3.45Å; V52-Y79 HydrophobicContact CB-CE2 4.32Å; V52-Y79 HydrophobicContact CG1-CD1 4.35Å; V52-Y79 HydrophobicContact CG1-CE1 3.54Å; V52-Y79 HydrophobicContact CG2-CE1 4.12Å; V52-Y79 HydrophobicContact CG2-CE2 4.18Å; V52-Y79 PolarHBondContact N-O 3.45Å; V52-Y79 PolarHBondContact O-N 2.76Å; V52-Y79 VanDerWaalsContact O-N 3.14Å
53Q98.6Very high97.4Very high32 Ų3250.2 Ų50.215%0.1526%0.256CS..PPolyproline II helixtrans-84.1157.2175.8-63.9-66.1-9.100111.2E55 D56 Q57 N366Q53-E55 HydrophobicContact CB-CG 4.06Å; Q53-E55 PolarHBondContact O-N 3.43Å; Q53-E55 VanDerWaalsContact O-N 3.16Å; Q53-D56 PolarHBondContact O-N 3.35Å; Q53-Q57 PolarHBondContact O-N 3.49Å; Q53-N366 VanDerWaalsContact NE2-CB 3.29Å; Q53-N366 PolarHBondContact NE2-O 2.92Å; Q53-N366 PolarHBondContact NE2-OD1 3.37Å
54P98.6Very high97.9Very high52 Ų5252.6 Ų52.634%0.33827%0.266SS..THydrogen-bonded Turntrans-54.9-32.4178.2-28.237.5000114.2P76 R78P54-P76 HydrophobicContact CB-CG 4.19Å; P54-P76 WeakPolarHBondContact CB-O 3.22Å; P54-P76 WeakPolarHBondContact CG-O 3.42Å; P54-R78 HydrophobicContact CG-CB 4.48Å
55E98Very high98Very high151 Ų15150.5 Ų50.571%0.70626%0.255SS*.THydrogen-bonded Turntrans-73.7-23.4175.756.6-96.8-131.500115Q53Q53-E55 HydrophobicContact CB-CG 4.06Å; Q53-E55 PolarHBondContact O-N 3.43Å; Q53-E55 VanDerWaalsContact O-N 3.16Å
56D98.1Very high98Very high114 Ų11450 Ų5061%0.6125%0.254SS*.THydrogen-bonded Turntrans-89.6-19.3178.2-66.5-46.5000112.4V52 Q53V52-D56 HydrophobicContact CG1-CB 4.26Å; Q53-D56 PolarHBondContact O-N 3.35Å
57Q98.4Very high98.1Very high11 Ų1151.4 Ų51.45%0.05127%0.269CS..SBendtrans-69.8129.3-178.9179.369.2-0.200111.6V52 Q53 P76 Y79 T134 Y139V52-Q57 HydrophobicContact CG1-CB 4.31Å; Q53-Q57 PolarHBondContact O-N 3.49Å; Q57-P76 HydrophobicContact CB-CB 4.01Å; Q57-P76 HydrophobicContact CB-CG 3.84Å; Q57-P76 HydrophobicContact CG-CB 3.63Å; Q57-P76 HydrophobicContact CG-CG 3.84Å; Q57-Y79 PolarHBondContact OE1-OH 2.75Å; Q57-T134 PolarHBondContact NE2-O 2.96Å; Q57-Y139 VanDerWaalsContact CG-OH 3.31Å; Q57-Y139 WeakPolarHBondContact CG-OH 3.25Å; Q57-Y139 PolarHBondContact NE2-OH 2.81Å
58P97.4Very high98.1Very high44 Ų4452 Ų5229%0.28627%0.273SS..  trans-68.6135.7179.226.4-34.6000112.5Y61 L72 T134P58-Y61 HydrophobicContact CG-CD2 3.89Å; P58-L72 WeakPolarHBondContact O-CD1 3Å; P58-T134 HydrophobicContact CG-CG2 4.45Å
59K97.1Very high98.1Very high110 Ų11055.2 Ų55.248%0.47829%0.289SS..SBendtrans-84.4-31.7167.6-53.9-174.8-169.6-170.50112.4L72 D74K59-L72 PolarHBondContact O-N 2.99Å; K59-D74 WeakPolarHBondContact CD-OD1 3.33Å; K59-D74 WeakPolarHBondContact CE-OD1 3.36Å; K59-D74 IonicContact NZ-OD1 3.83Å; K59-D74 PolarHBondContact NZ-OD1 2.82Å; K59-D74 IonicContact NZ-OD2 3.78Å
60H98Very high98Very high135 Ų13555.3 Ų55.363%0.62529%0.289SS*.EExtended strand (participates in β ladder)trans-112.988.7175.2-53.6-66.4000107.7E71H60-E71 IonicContact CE1-OE1 2.75Å; H60-E71 IonicContact CE1-OE2 3.63Å; H60-E71 PolarHBondContact CE1-OE2 2.83Å; H60-E71 IonicContact CG-OE1 3.94Å; H60-E71 IonicContact ND1-OE1 3.46Å; H60-E71 PolarHBondContact ND1-OE1 3.1Å; H60-E71 IonicContact ND1-OE2 2.71Å; H60-E71 PolarHBondContact ND1-OE2 3.07Å
61Y98.5Very high98Very high9 Ų960.5 Ų60.54%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-78141.3179.3-175.8-93.3000110.6P58 A63 K69 V70 I91 D131 T134 L135P58-Y61 HydrophobicContact CG-CD2 3.89Å; Y61-A63 HydrophobicContact CE1-CB 4.07Å; Y61-K69 WeakPolarHBondContact O-CA 3.3Å; Y61-V70 PolarHBondContact N-O 3Å; Y61-V70 PolarHBondContact O-N 3.36Å; Y61-I91 HydrophobicContact CE2-CD1 4.22Å; Y61-D131 HydrophobicContact CE1-CB 3.99Å; Y61-D131 WeakPolarHBondContact CE1-OD1 3.43Å; Y61-D131 PolarHBondContact OH-OD1 3.44Å; Y61-T134 HydrophobicContact CD2-CG2 3.97Å; Y61-T134 HydrophobicContact CE2-CG2 3.85Å; Y61-L135 HydrophobicContact CD1-CD2 3.65Å; Y61-L135 HydrophobicContact CD2-CD2 4.38Å; Y61-L135 HydrophobicContact CE1-CD2 4.18Å; Y61-L135 HydrophobicContact CG-CD2 3.76Å
62Q98.4Very high98Very high113 Ų11360.8 Ų60.853%0.52831%0.313SS..EExtended strand (participates in β ladder)trans-140122.8167.7-177.7179.2-20.800110.1V68 K69Q62-V68 VanDerWaalsContact CA-O 3.29Å; Q62-V68 WeakPolarHBondContact CA-O 3.42Å; Q62-K69 HydrophobicContact CB-CG 4.22Å; Q62-K69 VanDerWaalsContact CD-CE 3.47Å; Q62-K69 HydrophobicContact CG-CG 3.97Å
63A97.9Very high97.9Very high4 Ų461.8 Ų61.83%0.03332%0.32CS..  trans-68.6150.9174.600000112.1Y61 G67 V68 D131Y61-A63 HydrophobicContact CE1-CB 4.07Å; A63-G67 WeakPolarHBondContact O-CA 3.34Å; A63-G67 PolarHBondContact O-N 2.99Å; A63-V68 HydrophobicContact CB-CG1 3.73Å; A63-V68 PolarHBondContact N-O 3.06Å; A63-D131 WeakPolarHBondContact CB-OD1 3.15Å
64V97.5Very high97.9Very high87 Ų8765.9 Ų65.953%0.52734%0.343SS..SBendtrans-82.6-42.7174.5178.80000111.1E130V64-E130 WeakPolarHBondContact CB-OE1 3.17Å; V64-E130 PolarHBondContact N-OE1 3.16Å; V64-E130 PolarHBondContact N-OE2 2.73Å
65I95.6Very high97.8Very high42 Ų4268.4 Ų68.422%0.21535%0.354CS..SBendtrans-75.6-54.1-174.3-65.9170.3000112R12 N89 W92 E130 Y160R12-I65 HydrophobicContact CG-CG2 4.27Å; I65-N89 HydrophobicContact CD1-CB 4.25Å; I65-N89 WeakPolarHBondContact CD1-O 3.46Å; I65-N89 HydrophobicContact CG1-CB 4.4Å; I65-W92 HydrophobicContact CD1-CZ2 3.62Å; I65-E130 VanDerWaalsContact CB-OE2 3.24Å; I65-E130 WeakPolarHBondContact CB-OE2 3.34Å; I65-E130 HydrophobicContact CD1-CB 4.34Å; I65-E130 VanDerWaalsContact CG1-OE2 3.23Å; I65-E130 WeakPolarHBondContact CG1-OE2 3.21Å; I65-E130 PolarHBondContact N-OE2 2.83Å; I65-Y160 HydrophobicContact CG2-CE2 4.1Å
66S97.1Very high97.9Very high22 Ų2262 Ų6215%0.15433%0.325CS..SBendtrans-91.2-21.3-175.368.30000113.4V68 G126S66-V68 PolarHBondContact O-N 3.15Å; S66-V68 WeakPolarHBondContact OG-CB 3.33Å; S66-V68 WeakPolarHBondContact OG-CG1 3.41Å; S66-V68 PolarHBondContact OG-N 3.38Å; S66-G126 WeakPolarHBondContact CB-O 3.27Å; S66-G126 PolarHBondContact OG-O 3.44Å
67G97.5Very high97.9Very high33 Ų3357.8 Ų57.834%0.3430%0.303SS..  trans70.89.3-17100000114.3A63A63-G67 WeakPolarHBondContact O-CA 3.34Å; A63-G67 PolarHBondContact O-N 2.99Å
68V98.3Very high97.9Very high12 Ų1258 Ų587%0.07330%0.303CS..  trans-56.4144.5175.5740000110.1Q62 A63 S66 V70 G125 I127 Y157Q62-V68 VanDerWaalsContact CA-O 3.29Å; Q62-V68 WeakPolarHBondContact CA-O 3.42Å; A63-V68 HydrophobicContact CB-CG1 3.73Å; A63-V68 PolarHBondContact N-O 3.06Å; S66-V68 PolarHBondContact O-N 3.15Å; S66-V68 WeakPolarHBondContact OG-CB 3.33Å; S66-V68 WeakPolarHBondContact OG-CG1 3.41Å; S66-V68 PolarHBondContact OG-N 3.38Å; V68-V70 HydrophobicContact CG2-CG2 4.44Å; V68-G125 VanDerWaalsContact CB-O 3.28Å; V68-G125 WeakPolarHBondContact CB-O 3.39Å; V68-G125 WeakPolarHBondContact CG2-O 3.44Å; V68-I127 HydrophobicContact CG1-CG2 4.02Å; V68-I127 HydrophobicContact CG2-CG2 4.44Å; V68-Y157 HydrophobicContact CG2-CD1 3.77Å; V68-Y157 HydrophobicContact CG2-CG 4.4Å
69K98.6Very high98Very high134 Ų13456.2 Ų56.258%0.58329%0.291SS*.EExtended strand (participates in β ladder)trans-121.4129.5178.5-66.3-174.8176.1-160.90109.3Y61 Q62 Y157Y61-K69 WeakPolarHBondContact O-CA 3.3Å; Q62-K69 HydrophobicContact CB-CG 4.22Å; Q62-K69 VanDerWaalsContact CD-CE 3.47Å; Q62-K69 HydrophobicContact CG-CG 3.97Å; K69-Y157 VanDerWaalsContact O-CE1 3.27Å; K69-Y157 WeakPolarHBondContact O-CE1 3.41Å
70V98.5Very high98.1Very high2 Ų251 Ų511%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-129.8125.7-178.2-172.70000108.6Y61 V68 L72 L135 L153 Y157Y61-V70 PolarHBondContact N-O 3Å; Y61-V70 PolarHBondContact O-N 3.36Å; V68-V70 HydrophobicContact CG2-CG2 4.44Å; V70-L72 HydrophobicContact CG1-CD2 3.86Å; V70-L72 HydrophobicContact CG1-CG 4.33Å; V70-L135 HydrophobicContact CB-CD2 3.94Å; V70-L135 HydrophobicContact CG1-CD2 4.13Å; V70-L135 HydrophobicContact CG2-CD1 4.1Å; V70-L135 HydrophobicContact CG2-CD2 4.06Å; V70-L153 HydrophobicContact CG1-CD2 4.41Å; V70-Y157 HydrophobicContact CG1-CE2 4.14Å; V70-Y157 HydrophobicContact CG2-CD1 4.1Å; V70-Y157 HydrophobicContact CG2-CE1 3.93Å; V70-Y157 HydrophobicContact CG2-CE2 4.4Å; V70-Y157 HydrophobicContact CG2-CG 4.41Å
71E98.3Very high98.1Very high130 Ų13044.7 Ų44.761%0.60724%0.239SC*.EExtended strand (participates in β ladder)trans-83120.2170.4-65.2-68123.700108.1H60H60-E71 IonicContact CE1-OE1 2.75Å; H60-E71 IonicContact CE1-OE2 3.63Å; H60-E71 PolarHBondContact CE1-OE2 2.83Å; H60-E71 IonicContact CG-OE1 3.94Å; H60-E71 IonicContact ND1-OE1 3.46Å; H60-E71 PolarHBondContact ND1-OE1 3.1Å; H60-E71 IonicContact ND1-OE2 2.71Å; H60-E71 PolarHBondContact ND1-OE2 3.07Å
72L98.4Very high98.1Very high17 Ų1744.3 Ų44.39%0.08924%0.237CC..  trans-104.8151.3-172.9-70176.1000112.3P58 K59 V70 L135 Y139P58-L72 WeakPolarHBondContact O-CD1 3Å; K59-L72 PolarHBondContact O-N 2.99Å; V70-L72 HydrophobicContact CG1-CD2 3.86Å; V70-L72 HydrophobicContact CG1-CG 4.33Å; L72-L135 HydrophobicContact CD1-CD2 4.01Å; L72-L135 HydrophobicContact CD2-CD2 3.96Å; L72-L135 HydrophobicContact CG-CD2 4.37Å; L72-Y139 HydrophobicContact CB-CE2 4.43Å; L72-Y139 WeakPolarHBondContact CB-OH 3.35Å; L72-Y139 HydrophobicContact CD1-CE2 4.21Å; L72-Y139 HydrophobicContact CD2-CE2 3.89Å; L72-Y139 HydrophobicContact CG-CE2 4.41Å
73P98Very high98.1Very high43 Ų4339.3 Ų39.328%0.27922%0.215SC..  trans-57.3150177.6-23.932.7000113.7N75 Y139P73-N75 VanDerWaalsContact CB-OD1 3.3Å; P73-N75 WeakPolarHBondContact CB-OD1 3.3Å; P73-N75 PolarHBondContact O-N 3.38Å; P73-Y139 HydrophobicContact CB-CD1 3.73Å; P73-Y139 HydrophobicContact CB-CE1 3.9Å; P73-Y139 HydrophobicContact CG-CD1 3.65Å; P73-Y139 HydrophobicContact CG-CE1 4.01Å; P73-Y139 HydrophobicContact CG-CG 4.13Å; P73-Y139 WeakPolarHBondContact O-CE1 3.43Å
74D97.4Very high98.1Very high118 Ų11839.7 Ų39.763%0.63122%0.216SC*.SBendtrans-82.511.6-176-157.421.6000114.1K59 P76K59-D74 WeakPolarHBondContact CD-OD1 3.33Å; K59-D74 WeakPolarHBondContact CE-OD1 3.36Å; K59-D74 IonicContact NZ-OD1 3.83Å; K59-D74 PolarHBondContact NZ-OD1 2.82Å; K59-D74 IonicContact NZ-OD2 3.78Å; D74-P76 VanDerWaalsContact C-CD 3.45Å
75N97.8Very high98.1Very high105 Ų10536.8 Ų36.856%0.56120%0.2SC*.  trans-133.148.4-173.865.3-62.3000113.6P73P73-N75 VanDerWaalsContact CB-OD1 3.3Å; P73-N75 WeakPolarHBondContact CB-OD1 3.3Å; P73-N75 PolarHBondContact O-N 3.38Å
76P98.7Very high98.1Very high17 Ų1738 Ų3811%0.1121%0.206CC..PPolyproline II helixtrans-64.5138.8178.227.8-33.6000112.3P54 Q57 D74 P138 Y139P54-P76 HydrophobicContact CB-CG 4.19Å; P54-P76 WeakPolarHBondContact CB-O 3.22Å; P54-P76 WeakPolarHBondContact CG-O 3.42Å; Q57-P76 HydrophobicContact CB-CB 4.01Å; Q57-P76 HydrophobicContact CB-CG 3.84Å; Q57-P76 HydrophobicContact CG-CB 3.63Å; Q57-P76 HydrophobicContact CG-CG 3.84Å; D74-P76 VanDerWaalsContact C-CD 3.45Å; P76-P138 CarbonylContact C-O 3.56Å; P76-P138 WeakPolarHBondContact CA-O 3.12Å; P76-P138 HydrophobicContact CB-CB 3.86Å; P76-Y139 HydrophobicContact CB-CD1 4.44Å; P76-Y139 HydrophobicContact CB-CE1 3.67Å; P76-Y139 HydrophobicContact CG-CE1 4.49Å
77L98.9Very high98.1Very high26 Ų2641.8 Ų41.814%0.13622%0.224CC..PPolyproline II helixtrans-74.6147.2166.9-61.9179.3000110.3N98 E100 P138L77-N98 HydrophobicContact CB-CB 4.31Å; L77-N98 HydrophobicContact CD1-CB 4.47Å; L77-E100 HydrophobicContact CD1-CB 4.3Å; L77-E100 HydrophobicContact CD1-CG 3.97Å; L77-E100 HydrophobicContact CD2-CG 4.45Å; L77-P138 PolarHBondContact N-O 2.99Å
78R98.9Very high98Very high15 Ų1544.9 Ų44.96%0.05724%0.237CC..PPolyproline II helixtrans-63.8139.7168.5-178.7-157.966.8-170.9-8.6109.2V51 V52 P54 N98 S99 N364 V365 N366V51-R78 HydrophobicContact CG1-CG 3.56Å; V52-R78 WeakPolarHBondContact O-CA 3.26Å; V52-R78 WeakPolarHBondContact O-CG 3.25Å; P54-R78 HydrophobicContact CG-CB 4.48Å; R78-N98 CarbonylContact O-C 3.48Å; R78-N98 WeakPolarHBondContact O-CA 3.37Å; R78-S99 PolarHBondContact O-N 3.3Å; R78-N364 PolarHBondContact NH1-OD1 3.08Å; R78-N364 PolarHBondContact NH2-OD1 2.92Å; R78-V365 WeakPolarHBondContact CD-O 3.45Å; R78-V365 VanDerWaalsContact CZ-O 3.3Å; R78-V365 PolarHBondContact NE-O 3.09Å; R78-V365 PolarHBondContact NH1-O 3.39Å; R78-N366 PolarHBondContact NH1-OD1 3.5Å; R78-N366 VanDerWaalsContact NH1-OD1 3.09Å
79Y98.9Very high97.8Very high7 Ų746.9 Ų46.93%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-145.2149.5177.466.2-73.3000113.2V51 V52 Q57 I97 L137 P138V51-Y79 WeakPolarHBondContact CA-O 3.45Å; V52-Y79 HydrophobicContact CB-CD1 3.94Å; V52-Y79 HydrophobicContact CB-CE1 3.45Å; V52-Y79 VanDerWaalsContact CB-CE1 3.45Å; V52-Y79 HydrophobicContact CB-CE2 4.32Å; V52-Y79 HydrophobicContact CG1-CD1 4.35Å; V52-Y79 HydrophobicContact CG1-CE1 3.54Å; V52-Y79 HydrophobicContact CG2-CE1 4.12Å; V52-Y79 HydrophobicContact CG2-CE2 4.18Å; V52-Y79 PolarHBondContact N-O 3.45Å; V52-Y79 PolarHBondContact O-N 2.76Å; V52-Y79 VanDerWaalsContact O-N 3.14Å; Q57-Y79 PolarHBondContact OE1-OH 2.75Å; Y79-I97 WeakPolarHBondContact CA-O 3.29Å; Y79-L137 HydrophobicContact CD2-CD2 3.85Å; Y79-L137 HydrophobicContact CG-CD2 4.25Å; Y79-P138 HydrophobicContact CD1-CB 4.15Å; Y79-P138 HydrophobicContact CD1-CG 3.63Å; Y79-P138 HydrophobicContact CE1-CB 4.19Å; Y79-P138 HydrophobicContact CE1-CG 3.38Å; Y79-P138 HydrophobicContact CG-CG 4.33Å
80T99Very high97.7Very high0 Ų040.7 Ų40.70%022%0.221CC..EExtended strand (participates in β ladder)trans-75.3150.316565.50000109.9F49 V50 V51 G96 I97 H346F49-T80 HydrophobicContact CE2-CG2 4.1Å; F49-T80 HydrophobicContact CZ-CG2 4.24Å; V50-T80 CarbonylContact O-C 3.46Å; V51-T80 HydrophobicContact CG2-CG2 4.22Å; T80-G96 WeakPolarHBondContact O-CA 3.37Å; T80-I97 PolarHBondContact N-O 2.75Å; T80-I97 PolarHBondContact OG1-N 2.82Å; T80-H346 PolarHBondContact OG1-ND1 2.69Å
81S98.9Very high97.6Very high3 Ų343.4 Ų43.42%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-146.7162.7178.6620000111.4V50 P83 A95V50-S81 PolarHBondContact N-O 2.81Å; V50-S81 PolarHBondContact O-N 3.4Å; V50-S81 PolarHBondContact O-OG 2.97Å; S81-P83 WeakPolarHBondContact O-CD 3.46Å; S81-P83 WeakPolarHBondContact OG-CD 3.47Å; S81-A95 WeakPolarHBondContact CA-O 3.41Å
82M98.4Very high97.5Very high0 Ų038.4 Ų38.40%021%0.21CC..  trans-118.951.9179.9-66.4-52.6-46.500113.3Q47 R48 F49 P93 A94 N328 L348 Y350Q47-M82 PolarHBondContact OE1-O 3.22Å; R48-M82 CarbonylContact O-C 3.52Å; R48-M82 VanDerWaalsContact O-CA 3.25Å; R48-M82 WeakPolarHBondContact O-CA 3.45Å; R48-M82 WeakPolarHBondContact O-CE 3.22Å; F49-M82 HydrophobicContact CB-CE 4.34Å; F49-M82 HydrophobicContact CB-SD 4.11Å; F49-M82 HydrophobicContact CD2-SD 3.54Å; F49-M82 VanDerWaalsContact CD2-SD 3.54Å; F49-M82 HydrophobicContact CE2-SD 4.38Å; F49-M82 HydrophobicContact CG-SD 4.2Å; M82-P93 WeakPolarHBondContact CA-O 3.45Å; M82-P93 PolarHBondContact N-O 3.15Å; M82-A94 HydrophobicContact CB-CB 4.04Å; M82-N328 HydrophobicContact CE-CB 4.25Å; M82-L348 HydrophobicContact CE-CD1 3.4Å; M82-L348 HydrophobicContact CE-CD2 3.68Å; M82-L348 HydrophobicContact CE-CG 4.18Å; M82-L348 HydrophobicContact SD-CD1 3.67Å; M82-L348 HydrophobicContact SD-CD2 3.65Å; M82-L348 HydrophobicContact SD-CG 4.27Å; M82-Y350 HydrophobicContact CE-CE1 3.47Å; M82-Y350 VanDerWaalsContact CE-CE1 3.47Å; M82-Y350 WeakPolarHBondContact CE-OH 3.19Å
83P98.2Very high97.5Very high9 Ų937.6 Ų37.66%0.05821%0.206CC..  trans-69.2152.9-172.329.6-37.8000114.4R48 V50 S81 I91 W92R48-P83 HydrophobicContact CB-CG 4.43Å; R48-P83 PolarHBondContact N-O 2.87Å; R48-P83 VanDerWaalsContact O-CD 3.24Å; R48-P83 WeakPolarHBondContact O-CD 3.42Å; V50-P83 HydrophobicContact CB-CG 3.97Å; V50-P83 HydrophobicContact CG2-CG 3.68Å; S81-P83 WeakPolarHBondContact O-CD 3.46Å; S81-P83 WeakPolarHBondContact OG-CD 3.47Å; P83-I91 WeakPolarHBondContact CA-O 3.37Å; P83-I91 HydrophobicContact CB-CG2 3.95Å; P83-I91 WeakPolarHBondContact CB-O 3.37Å; P83-W92 WeakPolarHBondContact CA-O 3.47Å
84N97.1Very high97.5Very high11 Ų1135.7 Ų35.76%0.05919%0.194CC..BIsolated β-bridgetrans-61.1144.9168.1-73.715.2000111.1D45 Q47 I86 L87 I91D45-N84 PolarHBondContact OD2-ND2 2.59Å; Q47-N84 PolarHBondContact NE2-OD1 2.9Å; N84-I86 VanDerWaalsContact C-N 3.34Å; N84-L87 WeakPolarHBondContact O-CD2 3.42Å; N84-I91 PolarHBondContact N-O 3.01Å; N84-I91 VanDerWaalsContact N-O 3.09Å
85S97.3Very high97.6Very high26 Ų2630.1 Ų30.118%0.18216%0.164CC..SBendtrans-74.2-28.8169.5-46.90000112.1P46 R48 A375P46-S85 VanDerWaalsContact C-OG 3.29Å; P46-S85 VanDerWaalsContact O-CB 3.24Å; P46-S85 WeakPolarHBondContact O-CB 3.32Å; P46-S85 PolarHBondContact O-N 3.01Å; P46-S85 PolarHBondContact O-OG 3.28Å; R48-S85 WeakPolarHBondContact CD-OG 3.4Å; R48-S85 VanDerWaalsContact CG-OG 3.24Å; R48-S85 WeakPolarHBondContact CG-OG 3.39Å; S85-A375 WeakPolarHBondContact CB-O 3.48Å; S85-A375 WeakPolarHBondContact OG-CB 3.49Å; S85-A375 PolarHBondContact OG-O 3.38Å; S85-A375 VanDerWaalsContact OG-O 3.06Å
86I96.7Very high97.6Very high67 Ų6725.1 Ų25.134%0.34414%0.137SC..  trans-107.491.8-175.2-57.6176.9000108.7P46 N84 T88P46-I86 HydrophobicContact CG-CD1 3.87Å; P46-I86 HydrophobicContact CG-CG1 4.07Å; N84-I86 VanDerWaalsContact C-N 3.34Å; I86-T88 WeakPolarHBondContact CG2-OG1 3.26Å; I86-T88 PolarHBondContact O-N 2.77Å
87L96.2Very high97.6Very high102 Ų10224.3 Ų24.353%0.53413%0.132SC..G310 helixtrans-73.122.5-173-54.7177000115N84 N89 G90N84-L87 WeakPolarHBondContact O-CD2 3.42Å; L87-N89 PolarHBondContact O-N 2.82Å; L87-G90 WeakPolarHBondContact CA-O 3.15Å; L87-G90 WeakPolarHBondContact CD2-O 3.19Å; L87-G90 PolarHBondContact O-N 3.35Å
88T95.2Very high97.6Very high99 Ų9923.2 Ų23.261%0.60713%0.126SC*.G310 helixtrans-59.9-32.5-178.7-60.10000112.4I86I86-T88 WeakPolarHBondContact CG2-OG1 3.26Å; I86-T88 PolarHBondContact O-N 2.77Å
89N94.6Very high97.6Very high54 Ų5424.9 Ų24.929%0.28914%0.141SC..G310 helixtrans-112.218.3179.9-59.2-46.4000112.2I65 L87 W92I65-N89 HydrophobicContact CD1-CB 4.25Å; I65-N89 WeakPolarHBondContact CD1-O 3.46Å; I65-N89 HydrophobicContact CG1-CB 4.4Å; L87-N89 PolarHBondContact O-N 2.82Å; N89-W92 PolarHBondContact O-NE1 2.96Å
90G96.2Very high97.6Very high3 Ų329 Ų293%0.03116%0.16CC..  trans101.1-163-176.400000115L87 E130L87-G90 WeakPolarHBondContact CA-O 3.15Å; L87-G90 WeakPolarHBondContact CD2-O 3.19Å; L87-G90 PolarHBondContact O-N 3.35Å; G90-E130 WeakPolarHBondContact CA-OE1 3.38Å
91I95.4Very high97.6Very high60 Ų6030.2 Ų30.231%0.30817%0.167SC..  trans-79.8-45.5-171.1-58.6179.1000112.1Y61 P83 N84 P93Y61-I91 HydrophobicContact CE2-CD1 4.22Å; P83-I91 WeakPolarHBondContact CA-O 3.37Å; P83-I91 HydrophobicContact CB-CG2 3.95Å; P83-I91 WeakPolarHBondContact CB-O 3.37Å; N84-I91 PolarHBondContact N-O 3.01Å; N84-I91 VanDerWaalsContact N-O 3.09Å; I91-P93 HydrophobicContact CG2-CB 4.29Å
92W97.2Very high97.6Very high24 Ų2430.1 Ų30.19%0.09117%0.166CC..  trans48.660.6-174.8-68.573000112.3I65 P83 N89 A94 E129 E130I65-W92 HydrophobicContact CD1-CZ2 3.62Å; P83-W92 WeakPolarHBondContact CA-O 3.47Å; N89-W92 PolarHBondContact O-NE1 2.96Å; W92-A94 PolarHBondContact O-N 2.57Å; W92-A94 VanDerWaalsContact O-N 3.14Å; W92-E129 HydrophobicContact CE3-CB 4.3Å; W92-E129 HydrophobicContact CE3-CG 3.8Å; W92-E129 HydrophobicContact CH2-CB 3.83Å; W92-E129 HydrophobicContact CH2-CG 4.12Å; W92-E129 HydrophobicContact CZ3-CB 3.66Å; W92-E129 VanDerWaalsContact CZ3-CD 3.49Å; W92-E129 HydrophobicContact CZ3-CG 3.41Å; W92-E129 VanDerWaalsContact CZ3-CG 3.41Å; W92-E130 HydrophobicContact CZ2-CB 4.43Å
93P98.2Very high97.7Very high1 Ų130.1 Ų30.11%0.00617%0.166CC..  trans-66.9-11.7-175.132.4-41.2000114.6M82 I91 A95 E130 V133M82-P93 WeakPolarHBondContact CA-O 3.45Å; M82-P93 PolarHBondContact N-O 3.15Å; I91-P93 HydrophobicContact CG2-CB 4.29Å; P93-A95 PolarHBondContact O-N 2.83Å; P93-E130 WeakPolarHBondContact CD-O 3.41Å; P93-V133 HydrophobicContact CB-CB 4.25Å; P93-V133 HydrophobicContact CG-CB 3.7Å; P93-V133 HydrophobicContact CG-CG2 4.24Å
94A98.2Very high97.7Very high3 Ų329.7 Ų29.73%0.02516%0.163CC..  trans54.1-51.9174.300000118.9R36 D38 M82 W92 A106R36-A94 PolarHBondContact NH2-O 3Å; D38-A94 WeakPolarHBondContact OD2-CB 3.5Å; M82-A94 HydrophobicContact CB-CB 4.04Å; W92-A94 PolarHBondContact O-N 2.57Å; W92-A94 VanDerWaalsContact O-N 3.14Å; A94-A106 CarbonylContact C-O 3.33Å; A94-A106 WeakPolarHBondContact CA-O 3.24Å; A94-A106 CarbonylContact O-C 3.57Å; A94-A106 PolarHBondContact O-N 2.87Å
95A98.9Very high97.8Very high0 Ų029.3 Ų29.30%016%0.161CC..EExtended strand (participates in β ladder)trans-165.1156.9-178.900000112.6S81 P93 M104 H330 L332S81-A95 WeakPolarHBondContact CA-O 3.41Å; P93-A95 PolarHBondContact O-N 2.83Å; A95-M104 CarbonylContact C-O 3.54Å; A95-M104 VanDerWaalsContact CA-O 3.23Å; A95-M104 WeakPolarHBondContact CA-O 3.39Å; A95-H330 WeakPolarHBondContact CB-CD2 3.07Å; A95-H330 WeakPolarHBondContact CB-NE2 3.41Å; A95-L332 HydrophobicContact CB-CD1 4.15Å
96G98.9Very high97.8Very high0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-169.7164.4-177.800000115.7T80 A103 M104 L137 L332T80-G96 WeakPolarHBondContact O-CA 3.37Å; G96-A103 CarbonylContact O-C 3.53Å; G96-A103 WeakPolarHBondContact O-CA 3.43Å; G96-M104 PolarHBondContact N-O 3.09Å; G96-M104 PolarHBondContact O-N 2.62Å; G96-L137 VanDerWaalsContact C-CD2 3.44Å; G96-L137 WeakPolarHBondContact O-CD2 3.43Å; G96-L332 VanDerWaalsContact O-CD1 3.29Å; G96-L332 WeakPolarHBondContact O-CD1 3.4Å
97I99Very high97.9Very high1 Ų125 Ų251%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-121.6131168.9-53177.1000107.5Y79 T80 V102 A103 L332 I334 H346Y79-I97 WeakPolarHBondContact CA-O 3.29Å; T80-I97 PolarHBondContact N-O 2.75Å; T80-I97 PolarHBondContact OG1-N 2.82Å; I97-V102 CarbonylContact C-O 3.52Å; I97-V102 VanDerWaalsContact CA-O 3.31Å; I97-V102 WeakPolarHBondContact CA-O 3.44Å; I97-A103 HydrophobicContact CG1-CB 4Å; I97-L332 HydrophobicContact CD1-CB 4.2Å; I97-L332 HydrophobicContact CD1-CD2 4.36Å; I97-L332 HydrophobicContact CG1-CB 4.22Å; I97-L332 HydrophobicContact CG1-CD1 4.25Å; I97-L332 HydrophobicContact CG1-CD2 4.16Å; I97-L332 HydrophobicContact CG1-CG 4.45Å; I97-I334 HydrophobicContact CD1-CD1 4.09Å; I97-I334 HydrophobicContact CG1-CD1 4.45Å; I97-I334 HydrophobicContact CG2-CD1 3.84Å; I97-H346 HydrophobicContact CD1-CB 4.26Å
98N98.9Very high98Very high2 Ų220.1 Ų20.11%0.01111%0.112CC..BIsolated β-bridgetrans-88173177.276.716000112.6L77 R78 E100 N101 V102 L137 I140L77-N98 HydrophobicContact CB-CB 4.31Å; L77-N98 HydrophobicContact CD1-CB 4.47Å; R78-N98 CarbonylContact O-C 3.48Å; R78-N98 WeakPolarHBondContact O-CA 3.37Å; N98-E100 PolarHBondContact O-N 3.14Å; N98-E100 VanDerWaalsContact O-N 3.1Å; N98-E100 PolarHBondContact OD1-N 2.96Å; N98-N101 PolarHBondContact O-N 3.38Å; N98-N101 PolarHBondContact OD1-N 3.03Å; N98-V102 PolarHBondContact N-O 3.1Å; N98-V102 PolarHBondContact OD1-N 3.48Å; N98-V102 VanDerWaalsContact OD1-N 3.07Å; N98-L137 HydrophobicContact CB-CD1 3.92Å; N98-L137 HydrophobicContact CB-CG 4.13Å; N98-L137 PolarHBondContact ND2-O 2.98Å; N98-I140 PolarHBondContact ND2-O 3.29Å
99S98.8Very high98.1Very high51 Ų5116 Ų1636%0.3579%0.087SC..THydrogen-bonded Turntrans-66.1-7.7-177.955.40000115.2R78R78-S99 PolarHBondContact O-N 3.3Å
100E98.8Very high98.3Very high93 Ų9313.8 Ų13.844%0.4357%0.074SC..THydrogen-bonded Turntrans-106.116.4174.4-65.6-171.4-149.800112.4L77 N98 V102 H141L77-E100 HydrophobicContact CD1-CB 4.3Å; L77-E100 HydrophobicContact CD1-CG 3.97Å; L77-E100 HydrophobicContact CD2-CG 4.45Å; N98-E100 PolarHBondContact O-N 3.14Å; N98-E100 VanDerWaalsContact O-N 3.1Å; N98-E100 PolarHBondContact OD1-N 2.96Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.39Å; E100-H141 IonicContact OE1-CE1 2.87Å; E100-H141 PolarHBondContact OE1-CE1 2.99Å; E100-H141 IonicContact OE1-ND1 2.85Å; E100-H141 PolarHBondContact OE1-ND1 2.99Å; E100-H141 IonicContact OE2-CE1 3.87Å; E100-H141 IonicContact OE2-CG 2.79Å; E100-H141 IonicContact OE2-ND1 3.27Å; E100-H141 PolarHBondContact OE2-ND1 2.75Å
101N98.9Very high98.4Very high26 Ų2615.1 Ų15.114%0.1398%0.082CC..SBendtrans6128.7179.9-61.3-62.6000114.4N98 I334 A340 G344N98-N101 PolarHBondContact O-N 3.38Å; N98-N101 PolarHBondContact OD1-N 3.03Å; N101-I334 HydrophobicContact CB-CD1 4.26Å; N101-I334 HydrophobicContact CB-CG2 4.04Å; N101-I334 WeakPolarHBondContact O-CD1 3.45Å; N101-I334 WeakPolarHBondContact O-CG1 3.33Å; N101-A340 PolarHBondContact ND2-O 3.37Å; N101-G344 WeakPolarHBondContact OD1-CA 3.46Å; N101-G344 PolarHBondContact OD1-N 2.87Å
102V99Very high98.6Very high1 Ų114.1 Ų14.11%0.0068%0.079CC..  trans-86.4129.3162.6-1670000108.5I97 N98 E100 L137 I140I97-V102 CarbonylContact C-O 3.52Å; I97-V102 VanDerWaalsContact CA-O 3.31Å; I97-V102 WeakPolarHBondContact CA-O 3.44Å; N98-V102 PolarHBondContact N-O 3.1Å; N98-V102 PolarHBondContact OD1-N 3.48Å; N98-V102 VanDerWaalsContact OD1-N 3.07Å; E100-V102 VanDerWaalsContact C-N 3.27Å; E100-V102 PolarHBondContact O-N 3.39Å; V102-L137 WeakPolarHBondContact O-CD1 3.49Å; V102-I140 HydrophobicContact CB-CG1 4.46Å; V102-I140 HydrophobicContact CG1-CD1 3.71Å; V102-I140 HydrophobicContact CG1-CG1 4.1Å
103A99Very high98.7Very high0 Ų013.6 Ų13.60%08%0.078CC..EExtended strand (participates in β ladder)trans-104.2147.5175.600000111I34 G96 I97 F167 S168 L332 I334I34-A103 HydrophobicContact CD1-CB 3.89Å; I34-A103 HydrophobicContact CG1-CB 4.24Å; G96-A103 CarbonylContact O-C 3.53Å; G96-A103 WeakPolarHBondContact O-CA 3.43Å; I97-A103 HydrophobicContact CG1-CB 4Å; A103-F167 WeakPolarHBondContact O-CA 3.46Å; A103-S168 PolarHBondContact N-O 2.89Å; A103-S168 PolarHBondContact O-N 2.93Å; A103-L332 HydrophobicContact CB-CB 3.85Å; A103-L332 HydrophobicContact CB-CD1 3.85Å; A103-I334 HydrophobicContact CB-CD1 4.05Å; A103-I334 HydrophobicContact CB-CG1 4.24Å
104M99Very high98.7Very high0 Ų019 Ų190%011%0.113CC..EExtended strand (participates in β ladder)trans-146.3140.5176.3-176.3-175.4-176.900111.1A95 G96 I132 V133 V136 L137 I165 A166 F167 L332A95-M104 CarbonylContact C-O 3.54Å; A95-M104 VanDerWaalsContact CA-O 3.23Å; A95-M104 WeakPolarHBondContact CA-O 3.39Å; G96-M104 PolarHBondContact N-O 3.09Å; G96-M104 PolarHBondContact O-N 2.62Å; M104-I132 HydrophobicContact CE-CG2 3.3Å; M104-V133 HydrophobicContact CE-CG2 4.47Å; M104-V133 HydrophobicContact SD-CB 4.33Å; M104-V133 HydrophobicContact SD-CG1 4.23Å; M104-V133 HydrophobicContact SD-CG2 4.29Å; M104-V136 HydrophobicContact CE-CB 3.85Å; M104-V136 HydrophobicContact CE-CG1 4.01Å; M104-V136 HydrophobicContact CE-CG2 4.28Å; M104-V136 HydrophobicContact SD-CB 3.89Å; M104-V136 HydrophobicContact SD-CG1 3.91Å; M104-L137 HydrophobicContact CB-CB 4.33Å; M104-L137 HydrophobicContact CB-CD1 3.92Å; M104-L137 HydrophobicContact CB-CD2 4.38Å; M104-L137 HydrophobicContact CB-CG 4.43Å; M104-L137 HydrophobicContact SD-CB 3.89Å; M104-I165 HydrophobicContact CE-CG2 3.75Å; M104-I165 HydrophobicContact CG-CG2 4.5Å; M104-A166 VanDerWaalsContact CA-O 3.3Å; M104-A166 WeakPolarHBondContact CA-O 3.48Å; M104-F167 HydrophobicContact CB-CD1 4.09Å; M104-F167 HydrophobicContact CB-CE1 4.35Å; M104-F167 HydrophobicContact CE-CE1 3.57Å; M104-F167 HydrophobicContact CE-CZ 3.73Å; M104-F167 HydrophobicContact CG-CD1 3.77Å; M104-F167 HydrophobicContact CG-CE1 3.62Å; M104-F167 HydrophobicContact CG-CZ 4.45Å; M104-F167 HydrophobicContact SD-CD1 4.24Å; M104-F167 HydrophobicContact SD-CE1 3.57Å; M104-F167 VanDerWaalsContact SD-CE1 3.57Å; M104-F167 HydrophobicContact SD-CZ 4.34Å; M104-L332 VanDerWaalsContact O-CD1 3.27Å; M104-L332 WeakPolarHBondContact O-CD1 3.45Å
105S98.9Very high98.7Very high2 Ų224.2 Ų24.21%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-135.8145.9169.6-178.70000110.6R36 A166 H330R36-S105 PolarHBondContact NE-OG 2.87Å; S105-A166 PolarHBondContact N-O 2.8Å; S105-A166 PolarHBondContact O-N 2.83Å; S105-H330 PolarHBondContact OG-NE2 3.46Å
106A98.6Very high98.7Very high2 Ų224.2 Ų24.22%0.01713%0.132CC..EExtended strand (participates in β ladder)trans-172.4118.8-155.200000110.9R36 A94 G164 I165R36-A106 PolarHBondContact NH2-O 3.13Å; A94-A106 CarbonylContact C-O 3.33Å; A94-A106 WeakPolarHBondContact CA-O 3.24Å; A94-A106 CarbonylContact O-C 3.57Å; A94-A106 PolarHBondContact O-N 2.87Å; A106-G164 VanDerWaalsContact CB-O 3.28Å; A106-G164 WeakPolarHBondContact CB-O 3.37Å; A106-I165 HydrophobicContact CB-CB 3.96Å; A106-I165 HydrophobicContact CB-CG1 3.52Å; A106-I165 HydrophobicContact CB-CG2 4.07Å
107T97.5Very high98.7Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)cis-86.7132.6-2.6147.20000119.8C17 R36 T109 E129 I132 N163C17-T107 PolarHBondContact SG-O 3.06Å; R36-T107 WeakPolarHBondContact CD-O 3.41Å; R36-T107 PolarHBondContact NE-O 2.58Å; R36-T107 PolarHBondContact NH1-O 3.1Å; T107-T109 PolarHBondContact OG1-N 2.88Å; T107-E129 WeakPolarHBondContact CA-OE1 3.46Å; T107-E129 HydrophobicContact CG2-CB 3.65Å; T107-E129 HydrophobicContact CG2-CG 3.57Å; T107-E129 PolarHBondContact N-OE1 3.01Å; T107-I132 HydrophobicContact CG2-CD1 3.99Å; T107-N163 HydrophobicContact CG2-CB 3.69Å; T107-N163 VanDerWaalsContact CG2-CG 3.44Å; T107-N163 VanDerWaalsContact CG2-ND2 3.32Å; T107-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T107-N163 WeakPolarHBondContact OG1-CB 3.42Å; T107-N163 PolarHBondContact OG1-OD1 3.38Å
108E98.4Very high98.7Very high1 Ų128.9 Ų28.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-91.698.6137.8-17561.5-106.700109.3C17 T18 T19 I110 N163 G164 W175 N199C17-E108 VanDerWaalsContact C-OE2 3.23Å; C17-E108 WeakPolarHBondContact CB-OE1 3.33Å; C17-E108 WeakPolarHBondContact CB-OE2 3.34Å; T18-E108 VanDerWaalsContact C-OE2 3.26Å; T18-E108 VanDerWaalsContact CA-OE2 3.23Å; T18-E108 WeakPolarHBondContact CA-OE2 3.25Å; T18-E108 PolarHBondContact N-OE2 3.31Å; T19-E108 WeakPolarHBondContact CB-OE2 3.17Å; T19-E108 PolarHBondContact N-OE2 2.77Å; T19-E108 VanDerWaalsContact N-OE2 3.07Å; T19-E108 PolarHBondContact OG1-OE2 2.84Å; E108-I110 HydrophobicContact CG-CG2 4.2Å; E108-I110 WeakPolarHBondContact O-CG2 3.4Å; E108-I110 PolarHBondContact O-N 3.46Å; E108-N163 CarbonylContact O-C 3.53Å; E108-G164 PolarHBondContact N-O 2.87Å; E108-G164 PolarHBondContact O-N 2.78Å; E108-W175 HydrophobicContact CB-CH2 3.48Å; E108-W175 VanDerWaalsContact CB-CH2 3.48Å; E108-W175 HydrophobicContact CB-CZ2 4.05Å; E108-W175 HydrophobicContact CG-CH2 3.9Å; E108-W175 HydrophobicContact CG-CZ2 4.11Å; E108-N199 VanDerWaalsContact OE1-CG 3.3Å; E108-N199 PolarHBondContact OE1-ND2 3.49Å
109T98Very high98.7Very high13 Ų1332.5 Ų32.58%0.0819%0.189CC..EExtended strand (participates in β ladder)trans-62.9111.7177.2-51.80000110G15 T107 P162 N199G15-T109 PolarHBondContact O-OG1 3.33Å; T107-T109 PolarHBondContact OG1-N 2.88Å; T109-P162 CarbonylContact C-O 3.45Å; T109-P162 WeakPolarHBondContact CA-O 3.38Å; T109-N199 CarbonylContact O-C 3.47Å; T109-N199 WeakPolarHBondContact O-CA 3.24Å; T109-N199 WeakPolarHBondContact O-CB 3.5Å; T109-N199 PolarHBondContact O-ND2 3.14Å
110I98.5Very high98.7Very high7 Ų730.6 Ų30.64%0.03618%0.175CC..  trans-97.7-162.3-177.958.3174.2000111.8E108 P162 E177 R200 M201E108-I110 HydrophobicContact CG-CG2 4.2Å; E108-I110 WeakPolarHBondContact O-CG2 3.4Å; E108-I110 PolarHBondContact O-N 3.46Å; I110-P162 VanDerWaalsContact CG1-C 3.43Å; I110-P162 HydrophobicContact CG1-CB 4.06Å; I110-P162 WeakPolarHBondContact CG1-O 3.28Å; I110-P162 PolarHBondContact N-O 2.91Å; I110-P162 WeakPolarHBondContact O-CG 3.35Å; I110-E177 HydrophobicContact CD1-CB 3.57Å; I110-E177 HydrophobicContact CD1-CG 3.79Å; I110-R200 VanDerWaalsContact CG2-O 3.29Å; I110-R200 WeakPolarHBondContact CG2-O 3.34Å; I110-M201 HydrophobicContact CD1-CB 4.44Å; I110-M201 HydrophobicContact CD1-CG 4.3Å
111T98.7Very high98.7Very high30 Ų3029.8 Ų29.818%0.18418%0.178CC..  trans-116.9164-17853.40000112.7N199 M201 S243T111-N199 WeakPolarHBondContact CG2-O 3.31Å; T111-M201 PolarHBondContact OG1-N 3.26Å; T111-S243 WeakPolarHBondContact CB-OG 3.5Å; T111-S243 WeakPolarHBondContact CG2-OG 3.48Å; T111-S243 PolarHBondContact OG1-OG 3.03Å
112T98.8Very high98.7Very high40 Ų4032 Ų3225%0.24519%0.185CC..  trans-143.8178.5175.6-164.90000109.6I116 Q117 Y122 F241T112-I116 WeakPolarHBondContact OG1-CG2 3.47Å; T112-Q117 HydrophobicContact CG2-CG 3.75Å; T112-Y122 HydrophobicContact CG2-CE2 4.45Å; T112-Y122 WeakPolarHBondContact CG2-OH 3.25Å; T112-F241 CarbonylContact C-O 3.6Å; T112-F241 VanDerWaalsContact CA-O 3.3Å; T112-F241 WeakPolarHBondContact CA-O 3.4Å
113N98.9Very high98.6Very high13 Ų1333.9 Ų33.97%0.0720%0.196CC..  trans-134.7161.2174.47364.4000113.1R115 I116 Q117 I240 F241 G242N113-R115 PolarHBondContact ND2-NH2 3.25Å; N113-R115 VanDerWaalsContact ND2-NH2 3.14Å; N113-R115 PolarHBondContact O-N 3.49Å; N113-R115 VanDerWaalsContact O-N 3.17Å; N113-R115 VanDerWaalsContact OD1-CB 3.26Å; N113-R115 WeakPolarHBondContact OD1-CB 3.42Å; N113-R115 PolarHBondContact OD1-N 3.04Å; N113-I116 VanDerWaalsContact O-CG2 3.3Å; N113-I116 WeakPolarHBondContact O-CG2 3.48Å; N113-Q117 WeakPolarHBondContact O-CG 3.15Å; N113-Q117 PolarHBondContact O-N 3.27Å; N113-I240 PolarHBondContact ND2-O 2.94Å; N113-F241 PolarHBondContact N-O 2.97Å; N113-F241 VanDerWaalsContact ND2-CA 3.34Å; N113-F241 WeakPolarHBondContact ND2-CA 3.19Å; N113-F241 PolarHBondContact ND2-O 3.41Å; N113-G242 WeakPolarHBondContact CB-O 3.18Å; N113-G242 PolarHBondContact ND2-O 3.15Å; N113-G242 VanDerWaalsContact ND2-O 3.13Å
114P98.8Very high98.5Very high115 Ų11539.6 Ų39.675%0.74722%0.223SC*.THydrogen-bonded Turntrans-68.8-10.2-175.226.5-36.3000115.3G118P114-G118 PolarHBondContact O-N 3.42Å
115R98.8Very high98.5Very high111 Ų11141.4 Ų41.442%0.41924%0.242SC..THydrogen-bonded Turntrans-72.2-52.7177.8-55.2-179.3-66.3-90.72.2110N113 G118 L228 H239 I240N113-R115 PolarHBondContact ND2-NH2 3.25Å; N113-R115 VanDerWaalsContact ND2-NH2 3.14Å; N113-R115 PolarHBondContact O-N 3.49Å; N113-R115 VanDerWaalsContact O-N 3.17Å; N113-R115 VanDerWaalsContact OD1-CB 3.26Å; N113-R115 WeakPolarHBondContact OD1-CB 3.42Å; N113-R115 PolarHBondContact OD1-N 3.04Å; R115-G118 PolarHBondContact O-N 2.91Å; R115-L228 HydrophobicContact CB-CD2 3.77Å; R115-H239 PolarHBondContact NH2-O 3.14Å; R115-I240 PolarHBondContact NH2-O 3.29Å
116I98.7Very high98.4Very high1 Ų141.3 Ų41.31%0.00524%0.241CC..G310 helixtrans-68-42.7176.9-18057.4000112T112 N113 G118 L119 D120 I179 L222 L228 F241T112-I116 WeakPolarHBondContact OG1-CG2 3.47Å; N113-I116 VanDerWaalsContact O-CG2 3.3Å; N113-I116 WeakPolarHBondContact O-CG2 3.48Å; I116-G118 PolarHBondContact O-N 2.98Å; I116-G118 VanDerWaalsContact O-N 3.07Å; I116-L119 PolarHBondContact O-N 3.28Å; I116-D120 HydrophobicContact CD1-CB 4.24Å; I116-D120 PolarHBondContact O-N 3.44Å; I116-I179 HydrophobicContact CD1-CG2 4.19Å; I116-I179 HydrophobicContact CG1-CG2 3.86Å; I116-L222 HydrophobicContact CD1-CD2 3.73Å; I116-L228 HydrophobicContact CD1-CD1 4.47Å; I116-F241 HydrophobicContact CB-CD1 3.86Å; I116-F241 HydrophobicContact CB-CE1 4.43Å; I116-F241 HydrophobicContact CD1-CD1 4.12Å; I116-F241 HydrophobicContact CD1-CE1 3.93Å; I116-F241 HydrophobicContact CG1-CD1 3.83Å; I116-F241 HydrophobicContact CG1-CE1 4.18Å; I116-F241 HydrophobicContact CG2-CD1 4.25Å
117Q98.7Very high98.4Very high36 Ų3641.2 Ų41.217%0.16824%0.24CC..G310 helixtrans-63.9-14.4175.3-67.6-68.9-37.700113.7T112 N113 P121 Y122T112-Q117 HydrophobicContact CG2-CG 3.75Å; N113-Q117 WeakPolarHBondContact O-CG 3.15Å; N113-Q117 PolarHBondContact O-N 3.27Å; Q117-P121 WeakPolarHBondContact O-CB 3.44Å; Q117-Y122 VanDerWaalsContact NE2-CE1 3.32Å; Q117-Y122 PolarHBondContact NE2-OH 2.86Å; Q117-Y122 VanDerWaalsContact OE1-CD2 3.25Å
118G98.6Very high98.4Very high63 Ų6341.2 Ų41.265%0.64924%0.24SC*.G310 helixtrans-83.8-14.6171.700000114.5P114 R115 I116P114-G118 PolarHBondContact O-N 3.42Å; R115-G118 PolarHBondContact O-N 2.91Å; I116-G118 PolarHBondContact O-N 2.98Å; I116-G118 VanDerWaalsContact O-N 3.07Å
119L98.7Very high98.4Very high77 Ų7741.3 Ų41.340%0.40324%0.241SC..THydrogen-bonded Turntrans-107.7-45.9179.6-62.9170.6000111.2I116 L222 N226 L228I116-L119 PolarHBondContact O-N 3.28Å; L119-L222 HydrophobicContact CD1-CD1 4.25Å; L119-N226 HydrophobicContact CD1-CB 3.57Å; L119-N226 HydrophobicContact CD2-CB 4.49Å; L119-L228 HydrophobicContact CD1-CD1 3.94Å; L119-L228 HydrophobicContact CD1-CD2 3.84Å; L119-L228 HydrophobicContact CD1-CG 4.21Å
120D98.9Very high98.3Very high11 Ų1140.8 Ų40.86%0.05924%0.237CC..SBendtrans-12981.6179.2-178.428.6000109.4I116 G180 G181 H182 H183I116-D120 HydrophobicContact CD1-CB 4.24Å; I116-D120 PolarHBondContact O-N 3.44Å; D120-G180 CarbonylContact O-C 3.17Å; D120-G180 WeakPolarHBondContact O-CA 3.21Å; D120-G181 PolarHBondContact O-N 2.75Å; D120-G181 VanDerWaalsContact O-N 3.1Å; D120-G181 PolarHBondContact OD1-N 2.96Å; D120-G181 PolarHBondContact OD2-N 3.1Å; D120-H182 IonicContact OD1-CE1 3.39Å; D120-H182 IonicContact OD1-CG 3.37Å; D120-H182 PolarHBondContact OD1-N 3.21Å; D120-H182 IonicContact OD1-ND1 2.77Å; D120-H182 PolarHBondContact OD1-ND1 3.43Å; D120-H182 PolarHBondContact OD2-N 2.99Å; D120-H183 IonicContact OD2-CE1 3.59Å; D120-H183 IonicContact OD2-CG 3.63Å; D120-H183 PolarHBondContact OD2-N 3.47Å; D120-H183 IonicContact OD2-ND1 2.59Å; D120-H183 PolarHBondContact OD2-ND1 3.49Å
121P98.8Very high98.3Very high76 Ų7640.4 Ų40.449%0.49424%0.236SC..  trans-73.8152.2179.830.5-35.1000111.9Q117 V123Q117-P121 WeakPolarHBondContact O-CB 3.44Å; P121-V123 PolarHBondContact O-N 3.4Å
122Y98.7Very high98.3Very high73 Ų7339 Ų3929%0.28623%0.227SC..  trans-46.9136170.8-68.6-48000114.5T112 Q117 T159 P162 G180T112-Y122 HydrophobicContact CG2-CE2 4.45Å; T112-Y122 WeakPolarHBondContact CG2-OH 3.25Å; Q117-Y122 VanDerWaalsContact NE2-CE1 3.32Å; Q117-Y122 PolarHBondContact NE2-OH 2.86Å; Q117-Y122 VanDerWaalsContact OE1-CD2 3.25Å; Y122-T159 WeakPolarHBondContact CA-O 3.31Å; Y122-P162 VanDerWaalsContact OH-CB 3.26Å; Y122-P162 WeakPolarHBondContact OH-CB 3.29Å; Y122-P162 WeakPolarHBondContact OH-CD 3.47Å; Y122-P162 WeakPolarHBondContact OH-CG 3.43Å; Y122-G180 WeakPolarHBondContact CD1-O 3.41Å; Y122-G180 WeakPolarHBondContact CE1-O 3.26Å
123V98.6Very high98.3Very high40 Ų4037.1 Ų37.124%0.24222%0.215CC..  trans-92103.1177.4-174.90000109.5P121 G125 G126 T159 Y160 H182P121-V123 PolarHBondContact O-N 3.4Å; V123-G125 PolarHBondContact O-N 3.14Å; V123-G126 PolarHBondContact O-N 2.95Å; V123-T159 PolarHBondContact N-O 3.15Å; V123-Y160 WeakPolarHBondContact O-CB 2.99Å; V123-H182 WeakPolarHBondContact CG2-CE1 3.08Å; V123-H182 WeakPolarHBondContact CG2-NE2 3.35Å
124E96.7Very high98.3Very high121 Ų12136.6 Ų36.657%0.56521%0.212SC*.THydrogen-bonded Turntrans-52.7-33.5-176.5147.5139-98.300113.7R12R12-E124 IonicContact CZ-OE1 3.95Å; R12-E124 PolarHBondContact NH1-O 3.13Å; R12-E124 VanDerWaalsContact NH2-CG 3.3Å; R12-E124 PolarHBondContact NH2-O 3.1Å; R12-E124 IonicContact NH2-OE1 3.17Å; R12-E124 PolarHBondContact NH2-OE1 3.31Å
125G97.4Very high98.3Very high38 Ų3831.1 Ų31.139%0.39218%0.177SC..THydrogen-bonded Turntrans-101.321.2176.600000115.2V68 V123V68-G125 VanDerWaalsContact CB-O 3.28Å; V68-G125 WeakPolarHBondContact CB-O 3.39Å; V68-G125 WeakPolarHBondContact CG2-O 3.44Å; V123-G125 PolarHBondContact O-N 3.14Å
126G98.4Very high98.4Very high0 Ų025.8 Ų25.80%016%0.157CC..SBendtrans-88.6-168.9176.700000113.7S66 V123 Y157 G158 Y160S66-G126 WeakPolarHBondContact CB-O 3.27Å; S66-G126 PolarHBondContact OG-O 3.44Å; V123-G126 PolarHBondContact O-N 2.95Å; G126-Y157 VanDerWaalsContact CA-O 3.29Å; G126-Y157 WeakPolarHBondContact CA-O 3.3Å; G126-G158 CarbonylContact C-O 3.5Å; G126-G158 VanDerWaalsContact CA-O 3.28Å; G126-G158 WeakPolarHBondContact CA-O 3.41Å; G126-Y160 WeakPolarHBondContact O-CD1 3.4Å; G126-Y160 WeakPolarHBondContact O-CE1 3.45Å
127I98.5Very high98.4Very high0 Ų025.8 Ų25.80%016%0.157CC..BIsolated β-bridgetrans-82.1156.2176.463.3167.2000112.1V68 D131 I132 L135 L150 L153 L154 G158 T159 Y160V68-I127 HydrophobicContact CG1-CG2 4.02Å; V68-I127 HydrophobicContact CG2-CG2 4.44Å; I127-D131 VanDerWaalsContact CA-OD2 3.29Å; I127-D131 WeakPolarHBondContact CA-OD2 3.26Å; I127-D131 HydrophobicContact CB-CB 4.44Å; I127-I132 HydrophobicContact CD1-CG1 4.13Å; I127-L135 HydrophobicContact CB-CD1 4.23Å; I127-L135 HydrophobicContact CG2-CD1 3.49Å; I127-L135 VanDerWaalsContact CG2-CD1 3.49Å; I127-L150 HydrophobicContact CD1-CD1 4.05Å; I127-L153 HydrophobicContact CD1-CB 4.25Å; I127-L154 HydrophobicContact CD1-CD2 4.1Å; I127-L154 HydrophobicContact CG1-CD2 4.29Å; I127-G158 WeakPolarHBondContact CG1-O 3.36Å; I127-G158 PolarHBondContact N-O 3.04Å; I127-T159 WeakPolarHBondContact O-CA 3.23Å; I127-T159 VanDerWaalsContact O-CB 3.24Å; I127-T159 WeakPolarHBondContact O-CB 3.47Å; I127-T159 PolarHBondContact O-OG1 3.43Å; I127-Y160 WeakPolarHBondContact O-CD1 3.34Å; I127-Y160 PolarHBondContact O-N 3.17Å
128G97.6Very high98.4Very high0 Ų024 Ų240%015%0.149CC..  trans-149.2-166174.600000112.6E130 D131 I132 E161G128-E130 PolarHBondContact O-N 2.88Å; G128-D131 PolarHBondContact N-OD2 3.03Å; G128-D131 PolarHBondContact O-N 2.92Å; G128-I132 WeakPolarHBondContact O-CD1 3.46Å; G128-I132 VanDerWaalsContact O-CG1 3.3Å; G128-I132 WeakPolarHBondContact O-CG1 3.35Å; G128-I132 PolarHBondContact O-N 3.2Å; G128-E161 WeakPolarHBondContact CA-OE2 3.44Å
129E97.7Very high98.4Very high3 Ų321.7 Ų21.71%0.01412%0.12CC..THydrogen-bonded Turntrans-55.9-34.7-176.6-171.9158178.400114R36 W92 T107 D131 E161R36-E129 IonicContact NH1-OE1 3.45Å; W92-E129 HydrophobicContact CE3-CB 4.3Å; W92-E129 HydrophobicContact CE3-CG 3.8Å; W92-E129 HydrophobicContact CH2-CB 3.83Å; W92-E129 HydrophobicContact CH2-CG 4.12Å; W92-E129 HydrophobicContact CZ3-CB 3.66Å; W92-E129 VanDerWaalsContact CZ3-CD 3.49Å; W92-E129 HydrophobicContact CZ3-CG 3.41Å; W92-E129 VanDerWaalsContact CZ3-CG 3.41Å; T107-E129 WeakPolarHBondContact CA-OE1 3.46Å; T107-E129 HydrophobicContact CG2-CB 3.65Å; T107-E129 HydrophobicContact CG2-CG 3.57Å; T107-E129 PolarHBondContact N-OE1 3.01Å; E129-D131 PolarHBondContact O-N 2.99Å; E129-D131 VanDerWaalsContact O-N 3.14Å; E129-E161 PolarHBondContact N-OE2 2.87Å
130E96.9Very high98.4Very high1 Ų118 Ų181%0.00510%0.101CC..THydrogen-bonded Turntrans-49.7-36.7173.1-174.9-168.3162.700113.1V64 I65 G90 W92 P93 G128V64-E130 WeakPolarHBondContact CB-OE1 3.17Å; V64-E130 PolarHBondContact N-OE1 3.16Å; V64-E130 PolarHBondContact N-OE2 2.73Å; I65-E130 VanDerWaalsContact CB-OE2 3.24Å; I65-E130 WeakPolarHBondContact CB-OE2 3.34Å; I65-E130 HydrophobicContact CD1-CB 4.34Å; I65-E130 VanDerWaalsContact CG1-OE2 3.23Å; I65-E130 WeakPolarHBondContact CG1-OE2 3.21Å; I65-E130 PolarHBondContact N-OE2 2.83Å; G90-E130 WeakPolarHBondContact CA-OE1 3.38Å; W92-E130 HydrophobicContact CZ2-CB 4.43Å; P93-E130 WeakPolarHBondContact CD-O 3.41Å; G128-E130 PolarHBondContact O-N 2.88Å
131D98.4Very high98.4Very high0 Ų021.7 Ų21.70%012%0.118CC..THydrogen-bonded Turntrans-106.7-38.2-160.1-39.9-56.2000112.7Y61 A63 I127 G128 E129 V133 T134 L135Y61-D131 HydrophobicContact CE1-CB 3.99Å; Y61-D131 WeakPolarHBondContact CE1-OD1 3.43Å; Y61-D131 PolarHBondContact OH-OD1 3.44Å; A63-D131 WeakPolarHBondContact CB-OD1 3.15Å; I127-D131 VanDerWaalsContact CA-OD2 3.29Å; I127-D131 WeakPolarHBondContact CA-OD2 3.26Å; I127-D131 HydrophobicContact CB-CB 4.44Å; G128-D131 PolarHBondContact N-OD2 3.03Å; G128-D131 PolarHBondContact O-N 2.92Å; E129-D131 PolarHBondContact O-N 2.99Å; E129-D131 VanDerWaalsContact O-N 3.14Å; D131-V133 PolarHBondContact O-N 3.03Å; D131-V133 VanDerWaalsContact O-N 3.16Å; D131-T134 WeakPolarHBondContact O-CA 3.49Å; D131-T134 WeakPolarHBondContact O-CB 3.47Å; D131-T134 PolarHBondContact O-N 2.89Å; D131-L135 HydrophobicContact CB-CD1 3.69Å; D131-L135 HydrophobicContact CB-CG 4.06Å; D131-L135 WeakPolarHBondContact O-CG 3.11Å; D131-L135 PolarHBondContact O-N 3.16Å; D131-L135 VanDerWaalsContact O-N 3.09Å
132I98.7Very high98.4Very high0 Ų019.9 Ų19.90%011%0.107CC..Hα-helixtrans-54.3-45.2-154.8-82.7162.2000113.9M104 T107 I127 G128 L135 V136 L150 I165M104-I132 HydrophobicContact CE-CG2 3.3Å; T107-I132 HydrophobicContact CG2-CD1 3.99Å; I127-I132 HydrophobicContact CD1-CG1 4.13Å; G128-I132 WeakPolarHBondContact O-CD1 3.46Å; G128-I132 VanDerWaalsContact O-CG1 3.3Å; G128-I132 WeakPolarHBondContact O-CG1 3.35Å; G128-I132 PolarHBondContact O-N 3.2Å; I132-L135 PolarHBondContact O-N 3.14Å; I132-V136 WeakPolarHBondContact O-CB 3.33Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.43Å; I132-V136 PolarHBondContact O-N 2.97Å; I132-L150 HydrophobicContact CG1-CD1 4.25Å; I132-L150 HydrophobicContact CG2-CD1 4.31Å; I132-L150 HydrophobicContact CG2-CD2 4.15Å; I132-I165 HydrophobicContact CG2-CG1 4.4Å
133V98.9Very high98.4Very high1 Ų116.4 Ų16.41%0.0069%0.093CC..Hα-helixtrans-67.1-42.6178.9-173.50000111.2P93 M104 D131 L135 V136 L137 P138P93-V133 HydrophobicContact CB-CB 4.25Å; P93-V133 HydrophobicContact CG-CB 3.7Å; P93-V133 HydrophobicContact CG-CG2 4.24Å; M104-V133 HydrophobicContact CE-CG2 4.47Å; M104-V133 HydrophobicContact SD-CB 4.33Å; M104-V133 HydrophobicContact SD-CG1 4.23Å; M104-V133 HydrophobicContact SD-CG2 4.29Å; D131-V133 PolarHBondContact O-N 3.03Å; D131-V133 VanDerWaalsContact O-N 3.16Å; V133-L135 VanDerWaalsContact C-N 3.28Å; V133-L135 PolarHBondContact O-N 2.86Å; V133-V136 PolarHBondContact O-N 3.21Å; V133-L137 HydrophobicContact CG1-CB 3.75Å; V133-L137 HydrophobicContact CG1-CD2 3.63Å; V133-L137 HydrophobicContact CG1-CG 4.34Å; V133-L137 WeakPolarHBondContact O-CB 3.47Å; V133-L137 PolarHBondContact O-N 3.22Å; V133-P138 WeakPolarHBondContact O-CD 3.42Å
134T98.8Very high98.4Very high1 Ų117.9 Ų17.91%0.00610%0.096CC..Hα-helixtrans-60.6-36.8178.6-49.30000112Q57 P58 Y61 D131Q57-T134 PolarHBondContact NE2-O 2.96Å; P58-T134 HydrophobicContact CG-CG2 4.45Å; Y61-T134 HydrophobicContact CD2-CG2 3.97Å; Y61-T134 HydrophobicContact CE2-CG2 3.85Å; D131-T134 WeakPolarHBondContact O-CA 3.49Å; D131-T134 WeakPolarHBondContact O-CB 3.47Å; D131-T134 PolarHBondContact O-N 2.89Å
135L98.8Very high98.5Very high0 Ų015.1 Ų15.10%08%0.083CC..Hα-helixtrans-80.5-21.5-178.5-59.5-178.1000113.7Y61 V70 L72 I127 D131 I132 V133 Y139 R149 L153Y61-L135 HydrophobicContact CD1-CD2 3.65Å; Y61-L135 HydrophobicContact CD2-CD2 4.38Å; Y61-L135 HydrophobicContact CE1-CD2 4.18Å; Y61-L135 HydrophobicContact CG-CD2 3.76Å; V70-L135 HydrophobicContact CB-CD2 3.94Å; V70-L135 HydrophobicContact CG1-CD2 4.13Å; V70-L135 HydrophobicContact CG2-CD1 4.1Å; V70-L135 HydrophobicContact CG2-CD2 4.06Å; L72-L135 HydrophobicContact CD1-CD2 4.01Å; L72-L135 HydrophobicContact CD2-CD2 3.96Å; L72-L135 HydrophobicContact CG-CD2 4.37Å; I127-L135 HydrophobicContact CB-CD1 4.23Å; I127-L135 HydrophobicContact CG2-CD1 3.49Å; I127-L135 VanDerWaalsContact CG2-CD1 3.49Å; D131-L135 HydrophobicContact CB-CD1 3.69Å; D131-L135 HydrophobicContact CB-CG 4.06Å; D131-L135 WeakPolarHBondContact O-CG 3.11Å; D131-L135 PolarHBondContact O-N 3.16Å; D131-L135 VanDerWaalsContact O-N 3.09Å; I132-L135 PolarHBondContact O-N 3.14Å; V133-L135 VanDerWaalsContact C-N 3.28Å; V133-L135 PolarHBondContact O-N 2.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å; L135-R149 VanDerWaalsContact O-CZ 3.31Å; L135-R149 PolarHBondContact O-NE 3.03Å; L135-R149 PolarHBondContact O-NH2 3.09Å; L135-L153 HydrophobicContact CB-CD1 3.92Å
136V98.9Very high98.6Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-114.1-63.3-168.81790000112.8M104 I132 V133 P138 Y139 I140 R149 L150 L153 F167M104-V136 HydrophobicContact CE-CB 3.85Å; M104-V136 HydrophobicContact CE-CG1 4.01Å; M104-V136 HydrophobicContact CE-CG2 4.28Å; M104-V136 HydrophobicContact SD-CB 3.89Å; M104-V136 HydrophobicContact SD-CG1 3.91Å; I132-V136 WeakPolarHBondContact O-CB 3.33Å; I132-V136 VanDerWaalsContact O-CG2 3.28Å; I132-V136 WeakPolarHBondContact O-CG2 3.43Å; I132-V136 PolarHBondContact O-N 2.97Å; V133-V136 PolarHBondContact O-N 3.21Å; V136-P138 VanDerWaalsContact O-N 3.16Å; V136-Y139 PolarHBondContact O-N 2.98Å; V136-I140 HydrophobicContact CG1-CD1 4.19Å; V136-I140 HydrophobicContact CG1-CG2 4.25Å; V136-R149 HydrophobicContact CG1-CB 4.47Å; V136-R149 HydrophobicContact CG1-CG 4.43Å; V136-L150 HydrophobicContact CG2-CB 4.02Å; V136-L150 HydrophobicContact CG2-CD1 4.08Å; V136-L153 HydrophobicContact CG2-CD1 3.75Å; V136-F167 HydrophobicContact CG1-CE1 3.73Å; V136-F167 HydrophobicContact CG1-CZ 4.13Å
137L98.9Very high98.6Very high0 Ų013.3 Ų13.30%07%0.065CC..G310 helixtrans-53.6-35.9-168.6178.661.8000115.7Y79 G96 N98 V102 M104 V133 Y139 I140Y79-L137 HydrophobicContact CD2-CD2 3.85Å; Y79-L137 HydrophobicContact CG-CD2 4.25Å; G96-L137 VanDerWaalsContact C-CD2 3.44Å; G96-L137 WeakPolarHBondContact O-CD2 3.43Å; N98-L137 HydrophobicContact CB-CD1 3.92Å; N98-L137 HydrophobicContact CB-CG 4.13Å; N98-L137 PolarHBondContact ND2-O 2.98Å; V102-L137 WeakPolarHBondContact O-CD1 3.49Å; M104-L137 HydrophobicContact CB-CB 4.33Å; M104-L137 HydrophobicContact CB-CD1 3.92Å; M104-L137 HydrophobicContact CB-CD2 4.38Å; M104-L137 HydrophobicContact CB-CG 4.43Å; M104-L137 HydrophobicContact SD-CB 3.89Å; V133-L137 HydrophobicContact CG1-CB 3.75Å; V133-L137 HydrophobicContact CG1-CD2 3.63Å; V133-L137 HydrophobicContact CG1-CG 4.34Å; V133-L137 WeakPolarHBondContact O-CB 3.47Å; V133-L137 PolarHBondContact O-N 3.22Å; L137-Y139 PolarHBondContact O-N 2.64Å; L137-I140 HydrophobicContact CD1-CD1 4.46Å
138P98.9Very high98.6Very high0 Ų017.8 Ų17.80%09%0.086CC..G310 helixtrans-73.8-3.5-179.5-19.335.1000114.2P76 L77 Y79 V133 V136P76-P138 CarbonylContact C-O 3.56Å; P76-P138 WeakPolarHBondContact CA-O 3.12Å; P76-P138 HydrophobicContact CB-CB 3.86Å; L77-P138 PolarHBondContact N-O 2.99Å; Y79-P138 HydrophobicContact CD1-CB 4.15Å; Y79-P138 HydrophobicContact CD1-CG 3.63Å; Y79-P138 HydrophobicContact CE1-CB 4.19Å; Y79-P138 HydrophobicContact CE1-CG 3.38Å; Y79-P138 HydrophobicContact CG-CG 4.33Å; V133-P138 WeakPolarHBondContact O-CD 3.42Å; V136-P138 VanDerWaalsContact O-N 3.16Å
139Y98.9Very high98.7Very high13 Ų1320.4 Ų20.45%0.05110%0.096CC..G310 helixtrans-132.127.7-167.5-46.9-75.2000112.7Q57 L72 P73 P76 L135 V136 L137 R149Q57-Y139 VanDerWaalsContact CG-OH 3.31Å; Q57-Y139 WeakPolarHBondContact CG-OH 3.25Å; Q57-Y139 PolarHBondContact NE2-OH 2.81Å; L72-Y139 HydrophobicContact CB-CE2 4.43Å; L72-Y139 WeakPolarHBondContact CB-OH 3.35Å; L72-Y139 HydrophobicContact CD1-CE2 4.21Å; L72-Y139 HydrophobicContact CD2-CE2 3.89Å; L72-Y139 HydrophobicContact CG-CE2 4.41Å; P73-Y139 HydrophobicContact CB-CD1 3.73Å; P73-Y139 HydrophobicContact CB-CE1 3.9Å; P73-Y139 HydrophobicContact CG-CD1 3.65Å; P73-Y139 HydrophobicContact CG-CE1 4.01Å; P73-Y139 HydrophobicContact CG-CG 4.13Å; P73-Y139 WeakPolarHBondContact O-CE1 3.43Å; P76-Y139 HydrophobicContact CB-CD1 4.44Å; P76-Y139 HydrophobicContact CB-CE1 3.67Å; P76-Y139 HydrophobicContact CG-CE1 4.49Å; L135-Y139 WeakPolarHBondContact O-CD2 3.49Å; V136-Y139 PolarHBondContact O-N 2.98Å; L137-Y139 PolarHBondContact O-N 2.64Å; Y139-R149 VanDerWaalsContact CB-CZ 3.47Å
140I98.8Very high98.8Very high0 Ų020.2 Ų20.20%010%0.095CC..  trans-137.9142.8-177.463.6174.1000111.2N98 V102 V136 L137 E145 G146 R149 F167N98-I140 PolarHBondContact ND2-O 3.29Å; V102-I140 HydrophobicContact CB-CG1 4.46Å; V102-I140 HydrophobicContact CG1-CD1 3.71Å; V102-I140 HydrophobicContact CG1-CG1 4.1Å; V136-I140 HydrophobicContact CG1-CD1 4.19Å; V136-I140 HydrophobicContact CG1-CG2 4.25Å; L137-I140 HydrophobicContact CD1-CD1 4.46Å; I140-E145 HydrophobicContact CB-CB 4.27Å; I140-E145 HydrophobicContact CB-CG 4.21Å; I140-E145 HydrophobicContact CG2-CB 4.44Å; I140-E145 HydrophobicContact CG2-CG 4.07Å; I140-G146 VanDerWaalsContact CD1-CA 3.48Å; I140-R149 HydrophobicContact CG2-CB 4Å; I140-R149 HydrophobicContact CG2-CG 4.41Å; I140-F167 HydrophobicContact CD1-CD1 4.15Å; I140-F167 HydrophobicContact CD1-CE1 4.25Å
141H98.8Very high98.8Very high88 Ų8820.3 Ų20.341%0.40710%0.096SC..SBendtrans-115-1.6-175.2-54.6-85000112.3E100 E145E100-H141 IonicContact OE1-CE1 2.87Å; E100-H141 PolarHBondContact OE1-CE1 2.99Å; E100-H141 IonicContact OE1-ND1 2.85Å; E100-H141 PolarHBondContact OE1-ND1 2.99Å; E100-H141 IonicContact OE2-CE1 3.87Å; E100-H141 IonicContact OE2-CG 2.79Å; E100-H141 IonicContact OE2-ND1 3.27Å; E100-H141 PolarHBondContact OE2-ND1 2.75Å; H141-E145 WeakPolarHBondContact CA-OE2 3.25Å; H141-E145 WeakPolarHBondContact CB-OE2 3.47Å; H141-E145 IonicContact CD2-OE1 3.11Å; H141-E145 IonicContact CD2-OE2 2.83Å; H141-E145 PolarHBondContact CD2-OE2 3.41Å; H141-E145 IonicContact CG-OE2 2.86Å; H141-E145 PolarHBondContact N-OE2 3.21Å
142S98.9Very high98.9Very high38 Ų3822.9 Ų22.927%0.26612%0.117SC..SBendtrans-152.4163.917162.60000111.6K144 E145 G146S142-K144 VanDerWaalsContact C-N 3.3Å; S142-K144 PolarHBondContact O-N 2.93Å; S142-E145 PolarHBondContact O-N 3.44Å; S142-E145 WeakPolarHBondContact OG-CB 3.45Å; S142-E145 PolarHBondContact OG-N 2.66Å; S142-E145 VanDerWaalsContact OG-N 3.15Å; S142-G146 PolarHBondContact O-N 2.79Å; S142-G146 VanDerWaalsContact O-N 3.1Å
143A98.9Very high98.9Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-61.2-39.4174.900000112.2G146 V147 F167 D169A143-G146 WeakPolarHBondContact O-CA 3.37Å; A143-G146 PolarHBondContact O-N 2.87Å; A143-G146 VanDerWaalsContact O-N 3.15Å; A143-V147 PolarHBondContact O-N 2.87Å; A143-V147 VanDerWaalsContact O-N 3.17Å; A143-F167 HydrophobicContact CB-CB 3.93Å; A143-D169 HydrophobicContact CB-CB 4.41Å; A143-D169 WeakPolarHBondContact CB-OD2 3.28Å; A143-D169 PolarHBondContact N-OD2 2.96Å
144K98.9Very high98.9Very high71 Ų7123.4 Ų23.431%0.30912%0.12SC..Hα-helixtrans-66.1-39.4177.1-171.7176.3-178.6172.60112.2S142 G146 V147 E148 W174 L214S142-K144 VanDerWaalsContact C-N 3.3Å; S142-K144 PolarHBondContact O-N 2.93Å; K144-G146 PolarHBondContact O-N 2.85Å; K144-V147 WeakPolarHBondContact O-CB 3.4Å; K144-V147 PolarHBondContact O-N 2.82Å; K144-V147 VanDerWaalsContact O-N 3.14Å; K144-E148 VanDerWaalsContact CE-OE1 3.3Å; K144-E148 WeakPolarHBondContact CE-OE1 3.43Å; K144-E148 WeakPolarHBondContact O-CG 3.3Å; K144-E148 PolarHBondContact O-N 2.89Å; K144-W174 HydrophobicContact CB-CZ2 4.33Å; K144-W174 HydrophobicContact CD-CZ2 4.01Å; K144-W174 HydrophobicContact CG-CZ2 3.98Å; K144-L214 HydrophobicContact CD-CD1 4.45Å; K144-L214 HydrophobicContact CG-CD1 3.88Å
145E98.9Very high98.9Very high63 Ų6329.3 Ų29.329%0.29415%0.145SC..Hα-helixtrans-64.8-31.2172.7-169.3179.2-173.100111.7I140 H141 S142 E148 R149I140-E145 HydrophobicContact CB-CB 4.27Å; I140-E145 HydrophobicContact CB-CG 4.21Å; I140-E145 HydrophobicContact CG2-CB 4.44Å; I140-E145 HydrophobicContact CG2-CG 4.07Å; H141-E145 WeakPolarHBondContact CA-OE2 3.25Å; H141-E145 WeakPolarHBondContact CB-OE2 3.47Å; H141-E145 IonicContact CD2-OE1 3.11Å; H141-E145 IonicContact CD2-OE2 2.83Å; H141-E145 PolarHBondContact CD2-OE2 3.41Å; H141-E145 IonicContact CG-OE2 2.86Å; H141-E145 PolarHBondContact N-OE2 3.21Å; S142-E145 PolarHBondContact O-N 3.44Å; S142-E145 WeakPolarHBondContact OG-CB 3.45Å; S142-E145 PolarHBondContact OG-N 2.66Å; S142-E145 VanDerWaalsContact OG-N 3.15Å; E145-E148 PolarHBondContact O-N 3.41Å; E145-R149 WeakPolarHBondContact O-CB 3.5Å; E145-R149 PolarHBondContact O-N 3.47Å
146G98.9Very high98.9Very high0 Ų035.6 Ų35.60%018%0.175CC..Hα-helixtrans-53.7-51.3166.300000113.5I140 S142 A143 K144 L150 F167I140-G146 VanDerWaalsContact CD1-CA 3.48Å; S142-G146 PolarHBondContact O-N 2.79Å; S142-G146 VanDerWaalsContact O-N 3.1Å; A143-G146 WeakPolarHBondContact O-CA 3.37Å; A143-G146 PolarHBondContact O-N 2.87Å; A143-G146 VanDerWaalsContact O-N 3.15Å; K144-G146 PolarHBondContact O-N 2.85Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.28Å; G146-F167 VanDerWaalsContact CA-CE1 3.46Å; G146-F167 VanDerWaalsContact O-CZ 3.23Å; G146-F167 WeakPolarHBondContact O-CZ 3.48Å
147V98.9Very high98.9Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-59.8-51.3175.9172.90000111.2A143 K144 L150 G151 F167 W174 L176 W184 A186 L214A143-V147 PolarHBondContact O-N 2.87Å; A143-V147 VanDerWaalsContact O-N 3.17Å; K144-V147 WeakPolarHBondContact O-CB 3.4Å; K144-V147 PolarHBondContact O-N 2.82Å; K144-V147 VanDerWaalsContact O-N 3.14Å; V147-L150 PolarHBondContact O-N 2.89Å; V147-G151 PolarHBondContact O-N 2.94Å; V147-F167 HydrophobicContact CG2-CD2 3.71Å; V147-F167 HydrophobicContact CG2-CE2 4.06Å; V147-W174 HydrophobicContact CG2-CB 3.58Å; V147-W174 HydrophobicContact CG2-CD2 4.03Å; V147-W174 HydrophobicContact CG2-CE3 4.07Å; V147-W174 HydrophobicContact CG2-CG 3.87Å; V147-L176 HydrophobicContact CG1-CD1 4.13Å; V147-W184 HydrophobicContact CG1-CE3 4.45Å; V147-W184 HydrophobicContact CG1-CH2 4.3Å; V147-W184 HydrophobicContact CG1-CZ3 3.65Å; V147-A186 HydrophobicContact CG1-CB 3.43Å; V147-A186 VanDerWaalsContact CG1-CB 3.43Å; V147-A186 HydrophobicContact CG2-CB 4.23Å; V147-L214 HydrophobicContact CB-CD1 4.19Å; V147-L214 HydrophobicContact CG1-CB 4.01Å; V147-L214 HydrophobicContact CG1-CD1 3.56Å; V147-L214 HydrophobicContact CG1-CG 4.43Å
148E98.9Very high98.9Very high95 Ų9538.1 Ų38.144%0.44418%0.184SC..Hα-helixtrans-64-42.3-177.7-68.7174.3176.700112.1K144 E145 G151 A152 L214K144-E148 VanDerWaalsContact CE-OE1 3.3Å; K144-E148 WeakPolarHBondContact CE-OE1 3.43Å; K144-E148 WeakPolarHBondContact O-CG 3.3Å; K144-E148 PolarHBondContact O-N 2.89Å; E145-E148 PolarHBondContact O-N 3.41Å; E148-G151 PolarHBondContact O-N 3.11Å; E148-A152 PolarHBondContact O-N 2.95Å; E148-L214 HydrophobicContact CG-CD1 3.81Å
149R98.8Very high98.8Very high54 Ų5438.1 Ų38.120%0.20418%0.184CC..Hα-helixtrans-65.4-47.8177.5-179.5177.217783.86.4112L135 V136 Y139 I140 E145 G151 A152 L153L135-R149 VanDerWaalsContact O-CZ 3.31Å; L135-R149 PolarHBondContact O-NE 3.03Å; L135-R149 PolarHBondContact O-NH2 3.09Å; V136-R149 HydrophobicContact CG1-CB 4.47Å; V136-R149 HydrophobicContact CG1-CG 4.43Å; Y139-R149 VanDerWaalsContact CB-CZ 3.47Å; I140-R149 HydrophobicContact CG2-CB 4Å; I140-R149 HydrophobicContact CG2-CG 4.41Å; E145-R149 WeakPolarHBondContact O-CB 3.5Å; E145-R149 PolarHBondContact O-N 3.47Å; R149-G151 VanDerWaalsContact C-N 3.32Å; R149-A152 PolarHBondContact O-N 3.07Å; R149-L153 HydrophobicContact CG-CD1 4.33Å; R149-L153 WeakPolarHBondContact O-CG 3.27Å; R149-L153 PolarHBondContact O-N 2.77Å
150L98.9Very high98.8Very high0 Ų038.1 Ų38.10%019%0.185CC..Hα-helixtrans-64.6-40.5178179.653.3000110.8I127 I132 V136 G146 V147 A152 L153 L154 I165 F167 L176I127-L150 HydrophobicContact CD1-CD1 4.05Å; I132-L150 HydrophobicContact CG1-CD1 4.25Å; I132-L150 HydrophobicContact CG2-CD1 4.31Å; I132-L150 HydrophobicContact CG2-CD2 4.15Å; V136-L150 HydrophobicContact CG2-CB 4.02Å; V136-L150 HydrophobicContact CG2-CD1 4.08Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.28Å; V147-L150 PolarHBondContact O-N 2.89Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 2.77Å; L150-L153 PolarHBondContact O-N 2.81Å; L150-L154 HydrophobicContact CD1-CD1 4.22Å; L150-L154 HydrophobicContact CD1-CG 4.11Å; L150-L154 HydrophobicContact CG-CD1 4.02Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.09Å; L150-L154 PolarHBondContact O-N 2.63Å; L150-I165 HydrophobicContact CD2-CB 4.01Å; L150-I165 HydrophobicContact CD2-CD1 3.89Å; L150-I165 HydrophobicContact CD2-CG1 3.78Å; L150-I165 HydrophobicContact CD2-CG2 3.82Å; L150-F167 HydrophobicContact CB-CZ 4.09Å; L150-F167 HydrophobicContact CD2-CE2 4.24Å; L150-F167 HydrophobicContact CD2-CZ 3.9Å; L150-L176 HydrophobicContact CB-CD1 4.4Å; L150-L176 HydrophobicContact CD2-CD1 4.36Å; L150-L176 HydrophobicContact CD2-CD2 4.04Å; L150-L176 HydrophobicContact CG-CD1 4.35Å; L150-L176 HydrophobicContact CG-CD2 4.45Å
151G98.9Very high98.8Very high2 Ų238.2 Ų38.22%0.02119%0.185CC..Hα-helixtrans-58.4-38.6173.700000114V147 E148 R149 K155 W184V147-G151 PolarHBondContact O-N 2.94Å; E148-G151 PolarHBondContact O-N 3.11Å; R149-G151 VanDerWaalsContact C-N 3.32Å; G151-K155 WeakPolarHBondContact O-CB 3.44Å; G151-K155 PolarHBondContact O-N 2.86Å; G151-W184 PolarHBondContact O-NE1 3.38Å
152A98.8Very high98.7Very high54 Ų5434.5 Ų34.545%0.44617%0.169SC..Hα-helixtrans-68.4-43.5173.800000112.5E148 R149 L150 L154 K155 E156E148-A152 PolarHBondContact O-N 2.95Å; R149-A152 PolarHBondContact O-N 3.07Å; L150-A152 VanDerWaalsContact C-N 3.3Å; L150-A152 PolarHBondContact O-N 2.77Å; A152-L154 PolarHBondContact O-N 2.8Å; A152-K155 WeakPolarHBondContact O-CB 3.37Å; A152-K155 PolarHBondContact O-N 2.93Å; A152-E156 PolarHBondContact O-N 3.03Å
153L98.9Very high98.7Very high12 Ų1232.7 Ų32.76%0.06316%0.156CC..Hα-helixtrans-63.9-39177.4-71.5171.3000112.4V70 I127 L135 V136 R149 L150 K155 E156 Y157V70-L153 HydrophobicContact CG1-CD2 4.41Å; I127-L153 HydrophobicContact CD1-CB 4.25Å; L135-L153 HydrophobicContact CB-CD1 3.92Å; V136-L153 HydrophobicContact CG2-CD1 3.75Å; R149-L153 HydrophobicContact CG-CD1 4.33Å; R149-L153 WeakPolarHBondContact O-CG 3.27Å; R149-L153 PolarHBondContact O-N 2.77Å; L150-L153 PolarHBondContact O-N 2.81Å; L153-K155 VanDerWaalsContact C-N 3.33Å; L153-E156 PolarHBondContact O-N 3.47Å; L153-Y157 HydrophobicContact CD2-CD2 3.96Å; L153-Y157 HydrophobicContact CD2-CE2 3.83Å; L153-Y157 WeakPolarHBondContact O-CD2 3.3Å; L153-Y157 PolarHBondContact O-N 3.04Å
154L98.9Very high98.7Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-63-39.9173.8-70165.9000111.6I127 L150 A152 E156 G158 T159 L176 T178 W184I127-L154 HydrophobicContact CD1-CD2 4.1Å; I127-L154 HydrophobicContact CG1-CD2 4.29Å; L150-L154 HydrophobicContact CD1-CD1 4.22Å; L150-L154 HydrophobicContact CD1-CG 4.11Å; L150-L154 HydrophobicContact CG-CD1 4.02Å; L150-L154 HydrophobicContact CG-CG 4.42Å; L150-L154 VanDerWaalsContact O-CG 3.29Å; L150-L154 WeakPolarHBondContact O-CG 3.09Å; L150-L154 PolarHBondContact O-N 2.63Å; A152-L154 PolarHBondContact O-N 2.8Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 2.93Å; L154-G158 WeakPolarHBondContact O-CA 3.29Å; L154-G158 PolarHBondContact O-N 3.34Å; L154-T159 HydrophobicContact CD2-CG2 3.78Å; L154-L176 HydrophobicContact CD1-CD2 4.23Å; L154-T178 HydrophobicContact CD1-CG2 3.72Å; L154-T178 HydrophobicContact CD2-CG2 3.95Å; L154-W184 HydrophobicContact CD1-CB 3.96Å; L154-W184 HydrophobicContact CD1-CG 4.27Å
155K98.7Very high98.7Very high125 Ų12529.3 Ų29.354%0.54314%0.142SC..Hα-helixtrans-67.7-29.9176.1-167.5173.9-172.71760113.3G151 A152 L153 D217G151-K155 WeakPolarHBondContact O-CB 3.44Å; G151-K155 PolarHBondContact O-N 2.86Å; A152-K155 WeakPolarHBondContact O-CB 3.37Å; A152-K155 PolarHBondContact O-N 2.93Å; L153-K155 VanDerWaalsContact C-N 3.33Å; K155-D217 IonicContact NZ-OD2 3.53Å; K155-D217 PolarHBondContact NZ-OD2 3.43Å
156E98.7Very high98.7Very high133 Ų13326.4 Ų26.462%0.62113%0.128SC*.Hα-helixtrans-88.9-45.9-178.1-173.1179.9160.900113.5A152 L153 L154A152-E156 PolarHBondContact O-N 3.03Å; L153-E156 PolarHBondContact O-N 3.47Å; L154-E156 VanDerWaalsContact C-N 3.33Å; L154-E156 PolarHBondContact O-N 2.93Å
157Y98.8Very high98.7Very high52 Ų5226.4 Ų26.420%0.20413%0.128CC..Hα-helixtrans-105.7-20.3-172.4-63.8-84.4000113.8V68 K69 V70 G126 L153V68-Y157 HydrophobicContact CG2-CD1 3.77Å; V68-Y157 HydrophobicContact CG2-CG 4.4Å; K69-Y157 VanDerWaalsContact O-CE1 3.27Å; K69-Y157 WeakPolarHBondContact O-CE1 3.41Å; V70-Y157 HydrophobicContact CG1-CE2 4.14Å; V70-Y157 HydrophobicContact CG2-CD1 4.1Å; V70-Y157 HydrophobicContact CG2-CE1 3.93Å; V70-Y157 HydrophobicContact CG2-CE2 4.4Å; V70-Y157 HydrophobicContact CG2-CG 4.41Å; G126-Y157 VanDerWaalsContact CA-O 3.29Å; G126-Y157 WeakPolarHBondContact CA-O 3.3Å; L153-Y157 HydrophobicContact CD2-CD2 3.96Å; L153-Y157 HydrophobicContact CD2-CE2 3.83Å; L153-Y157 WeakPolarHBondContact O-CD2 3.3Å; L153-Y157 PolarHBondContact O-N 3.04Å
158G98.8Very high98.7Very high0 Ų026.4 Ų26.40%013%0.128CC..  trans65.2176.8-169.200000113.6G126 I127 L154 G181G126-G158 CarbonylContact C-O 3.5Å; G126-G158 VanDerWaalsContact CA-O 3.28Å; G126-G158 WeakPolarHBondContact CA-O 3.41Å; I127-G158 WeakPolarHBondContact CG1-O 3.36Å; I127-G158 PolarHBondContact N-O 3.04Å; L154-G158 WeakPolarHBondContact O-CA 3.29Å; L154-G158 PolarHBondContact O-N 3.34Å; G158-G181 CarbonylContact C-O 3.54Å; G158-G181 WeakPolarHBondContact CA-O 3.34Å
159T98.9Very high98.7Very high0 Ų022.8 Ų22.80%011%0.112CC..BIsolated β-bridgetrans-134.4153177-175.20000112.6Y122 V123 I127 L154 E161 G181Y122-T159 WeakPolarHBondContact CA-O 3.31Å; V123-T159 PolarHBondContact N-O 3.15Å; I127-T159 WeakPolarHBondContact O-CA 3.23Å; I127-T159 VanDerWaalsContact O-CB 3.24Å; I127-T159 WeakPolarHBondContact O-CB 3.47Å; I127-T159 PolarHBondContact O-OG1 3.43Å; L154-T159 HydrophobicContact CD2-CG2 3.78Å; T159-E161 WeakPolarHBondContact CG2-O 3.23Å; T159-E161 PolarHBondContact OG1-N 2.81Å; T159-E161 PolarHBondContact OG1-O 3.2Å; T159-G181 PolarHBondContact N-O 3.18Å
160Y97.9Very high98.7Very high14 Ų1425.1 Ų25.16%0.05513%0.125CC..SBendtrans-96.95.9171.859.5-86.4000113.9I65 V123 G126 I127I65-Y160 HydrophobicContact CG2-CE2 4.1Å; V123-Y160 WeakPolarHBondContact O-CB 2.99Å; G126-Y160 WeakPolarHBondContact O-CD1 3.4Å; G126-Y160 WeakPolarHBondContact O-CE1 3.45Å; I127-Y160 WeakPolarHBondContact O-CD1 3.34Å; I127-Y160 PolarHBondContact O-N 3.17Å
161E97.8Very high98.7Very high1 Ų128.6 Ų28.61%0.00514%0.143CC..SBendtrans-139.5143.5-170.4-74.4172.815800114.8G128 E129 T159 N163 T178G128-E161 WeakPolarHBondContact CA-OE2 3.44Å; E129-E161 PolarHBondContact N-OE2 2.87Å; T159-E161 WeakPolarHBondContact CG2-O 3.23Å; T159-E161 PolarHBondContact OG1-N 2.81Å; T159-E161 PolarHBondContact OG1-O 3.2Å; E161-N163 VanDerWaalsContact CB-ND2 3.27Å; E161-N163 WeakPolarHBondContact CB-ND2 3.45Å; E161-N163 WeakPolarHBondContact CB-OD1 3.23Å; E161-N163 PolarHBondContact OE2-ND2 3.29Å; E161-T178 PolarHBondContact O-OG1 3.01Å
162P98.4Very high98.7Very high11 Ų1130.9 Ų30.97%0.07115%0.154CC..  trans-84.2107.6167.933.8-27.6000108.8T109 I110 Y122 T178T109-P162 CarbonylContact C-O 3.45Å; T109-P162 WeakPolarHBondContact CA-O 3.38Å; I110-P162 VanDerWaalsContact CG1-C 3.43Å; I110-P162 HydrophobicContact CG1-CB 4.06Å; I110-P162 WeakPolarHBondContact CG1-O 3.28Å; I110-P162 PolarHBondContact N-O 2.91Å; I110-P162 WeakPolarHBondContact O-CG 3.35Å; Y122-P162 VanDerWaalsContact OH-CB 3.26Å; Y122-P162 WeakPolarHBondContact OH-CB 3.29Å; Y122-P162 WeakPolarHBondContact OH-CD 3.47Å; Y122-P162 WeakPolarHBondContact OH-CG 3.43Å; P162-T178 WeakPolarHBondContact CA-OG1 3.29Å
163N98.7Very high98.7Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-131.1136.7-168.6-72.4-15.7000111.4T107 E108 E161 I165 E177 T178T107-N163 HydrophobicContact CG2-CB 3.69Å; T107-N163 VanDerWaalsContact CG2-CG 3.44Å; T107-N163 VanDerWaalsContact CG2-ND2 3.32Å; T107-N163 WeakPolarHBondContact CG2-ND2 3.31Å; T107-N163 WeakPolarHBondContact OG1-CB 3.42Å; T107-N163 PolarHBondContact OG1-OD1 3.38Å; E108-N163 CarbonylContact O-C 3.53Å; E161-N163 VanDerWaalsContact CB-ND2 3.27Å; E161-N163 WeakPolarHBondContact CB-ND2 3.45Å; E161-N163 WeakPolarHBondContact CB-OD1 3.23Å; E161-N163 PolarHBondContact OE2-ND2 3.29Å; N163-I165 HydrophobicContact CB-CD1 3.99Å; N163-I165 WeakPolarHBondContact O-CD1 3.48Å; N163-E177 WeakPolarHBondContact O-CA 3.42Å; N163-T178 HydrophobicContact CB-CG2 4.25Å; N163-T178 PolarHBondContact N-OG1 3.38Å; N163-T178 PolarHBondContact O-N 3.07Å
164G98.8Very high98.7Very high0 Ų027.9 Ų27.90%013%0.13CC..EExtended strand (participates in β ladder)trans-99.1138.4166.900000110A106 E108 L176A106-G164 VanDerWaalsContact CB-O 3.28Å; A106-G164 WeakPolarHBondContact CB-O 3.37Å; E108-G164 PolarHBondContact N-O 2.87Å; E108-G164 PolarHBondContact O-N 2.78Å; G164-L176 CarbonylContact C-O 3.55Å; G164-L176 VanDerWaalsContact CA-O 3.3Å; G164-L176 WeakPolarHBondContact CA-O 3.41Å
165I98.9Very high98.7Very high0 Ų028 Ų280%013%0.13CC..EExtended strand (participates in β ladder)trans-135.9127.5-170.9-59.695000109.5M104 A106 I132 L150 N163 F167 W175 L176 T178M104-I165 HydrophobicContact CE-CG2 3.75Å; M104-I165 HydrophobicContact CG-CG2 4.5Å; A106-I165 HydrophobicContact CB-CB 3.96Å; A106-I165 HydrophobicContact CB-CG1 3.52Å; A106-I165 HydrophobicContact CB-CG2 4.07Å; I132-I165 HydrophobicContact CG2-CG1 4.4Å; L150-I165 HydrophobicContact CD2-CB 4.01Å; L150-I165 HydrophobicContact CD2-CD1 3.89Å; L150-I165 HydrophobicContact CD2-CG1 3.78Å; L150-I165 HydrophobicContact CD2-CG2 3.82Å; N163-I165 HydrophobicContact CB-CD1 3.99Å; N163-I165 WeakPolarHBondContact O-CD1 3.48Å; I165-F167 HydrophobicContact CB-CE2 4.33Å; I165-F167 HydrophobicContact CG2-CD2 4.15Å; I165-F167 HydrophobicContact CG2-CE1 4.32Å; I165-F167 HydrophobicContact CG2-CE2 3.5Å; I165-F167 VanDerWaalsContact CG2-CE2 3.5Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; I165-W175 WeakPolarHBondContact O-CA 3.31Å; I165-L176 HydrophobicContact CB-CB 4.49Å; I165-L176 HydrophobicContact CD1-CD2 3.69Å; I165-L176 PolarHBondContact N-O 3.46Å; I165-L176 PolarHBondContact O-N 2.94Å; I165-T178 HydrophobicContact CD1-CG2 3.96Å
166A99Very high98.7Very high1 Ų122 Ų221%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-100.5137.7176.800000111.2L21 I34 M104 S105 W174 W175L21-A166 HydrophobicContact CD2-CB 3.63Å; I34-A166 HydrophobicContact CB-CB 3.92Å; I34-A166 HydrophobicContact CD1-CB 3.93Å; I34-A166 HydrophobicContact CG1-CB 4.46Å; I34-A166 HydrophobicContact CG2-CB 4.07Å; M104-A166 VanDerWaalsContact CA-O 3.3Å; M104-A166 WeakPolarHBondContact CA-O 3.48Å; S105-A166 PolarHBondContact N-O 2.8Å; S105-A166 PolarHBondContact O-N 2.83Å; A166-W174 WeakPolarHBondContact CA-O 3.48Å; A166-W175 HydrophobicContact CB-CE3 3.92Å; A166-W175 HydrophobicContact CB-CZ3 3.9Å
167F99Very high98.7Very high0 Ų015.7 Ų15.70%08%0.075CC..EExtended strand (participates in β ladder)trans-127.9146.2168.9-58.8-86.9000109.9A103 M104 V136 I140 A143 G146 V147 L150 I165 V173 W174 L176A103-F167 WeakPolarHBondContact O-CA 3.46Å; M104-F167 HydrophobicContact CB-CD1 4.09Å; M104-F167 HydrophobicContact CB-CE1 4.35Å; M104-F167 HydrophobicContact CE-CE1 3.57Å; M104-F167 HydrophobicContact CE-CZ 3.73Å; M104-F167 HydrophobicContact CG-CD1 3.77Å; M104-F167 HydrophobicContact CG-CE1 3.62Å; M104-F167 HydrophobicContact CG-CZ 4.45Å; M104-F167 HydrophobicContact SD-CD1 4.24Å; M104-F167 HydrophobicContact SD-CE1 3.57Å; M104-F167 VanDerWaalsContact SD-CE1 3.57Å; M104-F167 HydrophobicContact SD-CZ 4.34Å; V136-F167 HydrophobicContact CG1-CE1 3.73Å; V136-F167 HydrophobicContact CG1-CZ 4.13Å; I140-F167 HydrophobicContact CD1-CD1 4.15Å; I140-F167 HydrophobicContact CD1-CE1 4.25Å; A143-F167 HydrophobicContact CB-CB 3.93Å; G146-F167 VanDerWaalsContact CA-CE1 3.46Å; G146-F167 VanDerWaalsContact O-CZ 3.23Å; G146-F167 WeakPolarHBondContact O-CZ 3.48Å; V147-F167 HydrophobicContact CG2-CD2 3.71Å; V147-F167 HydrophobicContact CG2-CE2 4.06Å; L150-F167 HydrophobicContact CB-CZ 4.09Å; L150-F167 HydrophobicContact CD2-CE2 4.24Å; L150-F167 HydrophobicContact CD2-CZ 3.9Å; I165-F167 HydrophobicContact CB-CE2 4.33Å; I165-F167 HydrophobicContact CG2-CD2 4.15Å; I165-F167 HydrophobicContact CG2-CE1 4.32Å; I165-F167 HydrophobicContact CG2-CE2 3.5Å; I165-F167 VanDerWaalsContact CG2-CE2 3.5Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; F167-V173 CarbonylContact O-C 3.59Å; F167-V173 WeakPolarHBondContact O-CA 3.3Å; F167-W174 HydrophobicContact CB-CB 4.39Å; F167-W174 PolarHBondContact N-O 2.72Å; F167-W174 PolarHBondContact O-N 3.02Å; F167-L176 HydrophobicContact CE2-CB 4.39Å
168S98.9Very high98.8Very high0 Ų013.4 Ų13.40%07%0.066CC..EExtended strand (participates in β ladder)trans-153.1150.4166.9630000113.2A103 E172A103-S168 PolarHBondContact N-O 2.89Å; A103-S168 PolarHBondContact O-N 2.93Å; S168-E172 WeakPolarHBondContact CA-O 3.01Å; S168-E172 VanDerWaalsContact CB-O 3.26Å; S168-E172 WeakPolarHBondContact CB-O 3.4Å
169D98.9Very high98.8Very high20 Ų2013.5 Ų13.511%0.1077%0.067CC..  trans-124.5-165.5166.855.445.1000108.2T32 A143 D171 E172T32-D169 WeakPolarHBondContact CB-O 3.4Å; T32-D169 WeakPolarHBondContact CG2-O 3.27Å; T32-D169 PolarHBondContact OG1-O 2.96Å; A143-D169 HydrophobicContact CB-CB 4.41Å; A143-D169 WeakPolarHBondContact CB-OD2 3.28Å; A143-D169 PolarHBondContact N-OD2 2.96Å; D169-D171 PolarHBondContact O-N 2.83Å; D169-D171 WeakPolarHBondContact OD1-CA 3.47Å; D169-D171 PolarHBondContact OD1-N 2.97Å; D169-E172 PolarHBondContact N-O 2.89Å; D169-E172 PolarHBondContact OD1-N 2.73Å
170Q98.6Very high98.8Very high103 Ų10313.7 Ų13.748%0.4817%0.069SC..SBendtrans-61.7-24179.275.2-174.98.400113.3I334 N336Q170-I334 HydrophobicContact CB-CG2 3.94Å; Q170-N336 PolarHBondContact O-ND2 3.29Å
171D98.7Very high98.8Very high72 Ų7213 Ų1339%0.3857%0.066SC..SBendtrans-107.8-41.1-169-82.7-62.5000112.2K24 D169K24-D171 WeakPolarHBondContact CD-O 3.37Å; K24-D171 PolarHBondContact NZ-O 2.97Å; D169-D171 PolarHBondContact O-N 2.83Å; D169-D171 WeakPolarHBondContact OD1-CA 3.47Å; D169-D171 PolarHBondContact OD1-N 2.97Å
172E98.9Very high98.9Very high50 Ų5016.2 Ų16.223%0.2348%0.081CC..  trans-126.5154.1-168.9-54.4-164.8149.700113.3S168 D169 W174 R188S168-E172 WeakPolarHBondContact CA-O 3.01Å; S168-E172 VanDerWaalsContact CB-O 3.26Å; S168-E172 WeakPolarHBondContact CB-O 3.4Å; D169-E172 PolarHBondContact N-O 2.89Å; D169-E172 PolarHBondContact OD1-N 2.73Å; E172-W174 PolarHBondContact OE2-NE1 2.87Å; E172-R188 VanDerWaalsContact CD-NE 3.3Å; E172-R188 WeakPolarHBondContact OE1-CD 3.39Å; E172-R188 IonicContact OE1-CZ 3.33Å; E172-R188 IonicContact OE1-NE 3.21Å; E172-R188 PolarHBondContact OE1-NE 2.84Å; E172-R188 IonicContact OE2-NE 2.78Å
173V99Very high98.9Very high2 Ų216.7 Ų16.71%0.0128%0.082CC..EExtended strand (participates in β ladder)trans-126.1129.9167.4178.60000107L21 T32 I34 F167 R188 I189L21-V173 HydrophobicContact CB-CG1 4.09Å; L21-V173 HydrophobicContact CD1-CG1 4.49Å; T32-V173 HydrophobicContact CG2-CG2 3.79Å; I34-V173 HydrophobicContact CG2-CG1 3.57Å; I34-V173 HydrophobicContact CG2-CG2 4.44Å; F167-V173 CarbonylContact O-C 3.59Å; F167-V173 WeakPolarHBondContact O-CA 3.3Å; V173-R188 CarbonylContact O-C 3.39Å; V173-R188 WeakPolarHBondContact O-CA 3.41Å; V173-I189 HydrophobicContact CB-CB 4.19Å; V173-I189 HydrophobicContact CB-CG1 4.34Å; V173-I189 HydrophobicContact CG1-CB 4.25Å; V173-I189 HydrophobicContact CG1-CG1 3.89Å; V173-I189 PolarHBondContact O-N 2.73Å
174W99Very high98.9Very high1 Ų117.7 Ų17.70%0.0049%0.086CC..EExtended strand (participates in β ladder)trans-124.2144.8179.4-73.581.7000110.8K144 V147 A166 F167 E172 A186 V187 R188 L214K144-W174 HydrophobicContact CB-CZ2 4.33Å; K144-W174 HydrophobicContact CD-CZ2 4.01Å; K144-W174 HydrophobicContact CG-CZ2 3.98Å; V147-W174 HydrophobicContact CG2-CB 3.58Å; V147-W174 HydrophobicContact CG2-CD2 4.03Å; V147-W174 HydrophobicContact CG2-CE3 4.07Å; V147-W174 HydrophobicContact CG2-CG 3.87Å; A166-W174 WeakPolarHBondContact CA-O 3.48Å; F167-W174 HydrophobicContact CB-CB 4.39Å; F167-W174 PolarHBondContact N-O 2.72Å; F167-W174 PolarHBondContact O-N 3.02Å; E172-W174 PolarHBondContact OE2-NE1 2.87Å; W174-A186 HydrophobicContact CE3-CB 4.21Å; W174-V187 WeakPolarHBondContact CA-O 3.22Å; W174-R188 HydrophobicContact CD2-CB 3.83Å; W174-R188 HydrophobicContact CD2-CG 4.42Å; W174-R188 HydrophobicContact CE3-CB 4Å; W174-R188 VanDerWaalsContact CE3-N 3.34Å; W174-R188 HydrophobicContact CG-CB 4.49Å; W174-R188 HydrophobicContact CH2-CB 3.86Å; W174-R188 HydrophobicContact CZ2-CB 3.69Å; W174-R188 HydrophobicContact CZ2-CG 4.21Å; W174-R188 HydrophobicContact CZ3-CB 4.01Å; W174-L214 HydrophobicContact CH2-CD1 4.18Å; W174-L214 HydrophobicContact CH2-CG 4.02Å; W174-L214 HydrophobicContact CZ3-CB 4.31Å; W174-L214 HydrophobicContact CZ3-CD1 4.18Å; W174-L214 HydrophobicContact CZ3-CG 4Å
175W99Very high98.9Very high2 Ų217.7 Ų17.71%0.0089%0.086CC..EExtended strand (participates in β ladder)trans-119.7118.6170.5-175-113.8000109.2T19 L21 E108 I165 A166 E177 A186 V187 I189 A197 F278T19-W175 HydrophobicContact CG2-CH2 3.89Å; T19-W175 HydrophobicContact CG2-CZ3 3.68Å; L21-W175 HydrophobicContact CD1-CB 3.94Å; L21-W175 HydrophobicContact CD1-CD2 4.13Å; L21-W175 HydrophobicContact CD1-CE3 3.84Å; L21-W175 HydrophobicContact CD1-CG 4.24Å; L21-W175 HydrophobicContact CD2-CE3 4.45Å; E108-W175 HydrophobicContact CB-CH2 3.48Å; E108-W175 VanDerWaalsContact CB-CH2 3.48Å; E108-W175 HydrophobicContact CB-CZ2 4.05Å; E108-W175 HydrophobicContact CG-CH2 3.9Å; E108-W175 HydrophobicContact CG-CZ2 4.11Å; I165-W175 WeakPolarHBondContact O-CA 3.31Å; A166-W175 HydrophobicContact CB-CE3 3.92Å; A166-W175 HydrophobicContact CB-CZ3 3.9Å; W175-E177 VanDerWaalsContact NE1-CD 3.3Å; W175-E177 VanDerWaalsContact NE1-CG 3.26Å; W175-E177 PolarHBondContact NE1-OE1 2.83Å; W175-A186 CarbonylContact O-C 3.59Å; W175-A186 WeakPolarHBondContact O-CA 3.46Å; W175-A186 WeakPolarHBondContact O-CB 3.42Å; W175-V187 PolarHBondContact N-O 3.01Å; W175-V187 PolarHBondContact O-N 3.34Å; W175-I189 HydrophobicContact CB-CD1 4.12Å; W175-A197 HydrophobicContact CH2-CB 4.25Å; W175-A197 HydrophobicContact CZ2-CB 3.88Å; W175-F278 HydrophobicContact CB-CZ 3.96Å; W175-F278 AromaticContact CD1-CE2 3.65Å; W175-F278 AromaticContact CD1-CZ 3.41Å; W175-F278 VanDerWaalsContact CD1-CZ 3.41Å; W175-F278 HydrophobicContact CG-CE2 4.21Å; W175-F278 AromaticContact CG-CZ 3.87Å; W175-F278 HydrophobicContact CG-CZ 3.87Å
176L98.9Very high98.9Very high0 Ų017.7 Ų17.70%09%0.086CC..EExtended strand (participates in β ladder)trans-105.2137.9172.5179.3154.1000109.5V147 L150 L154 G164 I165 F167 T178 W184 A185 A186V147-L176 HydrophobicContact CG1-CD1 4.13Å; L150-L176 HydrophobicContact CB-CD1 4.4Å; L150-L176 HydrophobicContact CD2-CD1 4.36Å; L150-L176 HydrophobicContact CD2-CD2 4.04Å; L150-L176 HydrophobicContact CG-CD1 4.35Å; L150-L176 HydrophobicContact CG-CD2 4.45Å; L154-L176 HydrophobicContact CD1-CD2 4.23Å; G164-L176 CarbonylContact C-O 3.55Å; G164-L176 VanDerWaalsContact CA-O 3.3Å; G164-L176 WeakPolarHBondContact CA-O 3.41Å; I165-L176 HydrophobicContact CB-CB 4.49Å; I165-L176 HydrophobicContact CD1-CD2 3.69Å; I165-L176 PolarHBondContact N-O 3.46Å; I165-L176 PolarHBondContact O-N 2.94Å; F167-L176 HydrophobicContact CE2-CB 4.39Å; L176-T178 HydrophobicContact CD2-CG2 4.15Å; L176-W184 HydrophobicContact CD1-CB 4.41Å; L176-W184 HydrophobicContact CD1-CD2 4.15Å; L176-W184 HydrophobicContact CD1-CE3 3.62Å; L176-W184 HydrophobicContact CD1-CG 4.49Å; L176-W184 HydrophobicContact CD1-CZ3 4.24Å; L176-W184 HydrophobicContact CD2-CB 4.26Å; L176-W184 HydrophobicContact CG-CB 4.38Å; L176-W184 HydrophobicContact CG-CE3 4.22Å; L176-A185 CarbonylContact C-O 3.51Å; L176-A185 WeakPolarHBondContact CA-O 3.29Å; L176-A186 HydrophobicContact CB-CB 3.84Å; L176-A186 HydrophobicContact CD1-CB 4.46Å; L176-A186 HydrophobicContact CG-CB 4.21Å
177E99Very high98.9Very high0 Ų018.6 Ų18.60%09%0.091CC..EExtended strand (participates in β ladder)trans-120129.6171.4-64.2-167.2143.400110I110 N163 W175 W184 A185 M201 N202 I203I110-E177 HydrophobicContact CD1-CB 3.57Å; I110-E177 HydrophobicContact CD1-CG 3.79Å; N163-E177 WeakPolarHBondContact O-CA 3.42Å; W175-E177 VanDerWaalsContact NE1-CD 3.3Å; W175-E177 VanDerWaalsContact NE1-CG 3.26Å; W175-E177 PolarHBondContact NE1-OE1 2.83Å; E177-W184 VanDerWaalsContact O-CA 3.31Å; E177-W184 WeakPolarHBondContact O-CA 3.41Å; E177-A185 PolarHBondContact N-O 3.26Å; E177-A185 PolarHBondContact O-N 3.2Å; E177-A185 VanDerWaalsContact O-N 3.08Å; E177-M201 HydrophobicContact CB-CE 4.44Å; E177-M201 WeakPolarHBondContact OE2-CG 3.18Å; E177-N202 VanDerWaalsContact OE1-CB 3.29Å; E177-N202 WeakPolarHBondContact OE1-CB 3.39Å; E177-N202 PolarHBondContact OE1-N 3.48Å; E177-N202 PolarHBondContact OE1-ND2 3.09Å; E177-N202 PolarHBondContact OE2-N 3.47Å; E177-N202 VanDerWaalsContact OE2-N 3.08Å; E177-I203 HydrophobicContact CB-CD1 4.04Å; E177-I203 HydrophobicContact CG-CD1 3.76Å; E177-I203 HydrophobicContact CG-CG1 4.13Å; E177-I203 WeakPolarHBondContact OE2-CG1 3.43Å; E177-I203 PolarHBondContact OE2-N 3.49Å
178T98.9Very high98.9Very high4 Ų420.5 Ų20.53%0.02510%0.098CC..EExtended strand (participates in β ladder)trans-75.9141.1173.772.20000110.5L154 E161 P162 N163 I165 L176L154-T178 HydrophobicContact CD1-CG2 3.72Å; L154-T178 HydrophobicContact CD2-CG2 3.95Å; E161-T178 PolarHBondContact O-OG1 3.01Å; P162-T178 WeakPolarHBondContact CA-OG1 3.29Å; N163-T178 HydrophobicContact CB-CG2 4.25Å; N163-T178 PolarHBondContact N-OG1 3.38Å; N163-T178 PolarHBondContact O-N 3.07Å; I165-T178 HydrophobicContact CD1-CG2 3.96Å; L176-T178 HydrophobicContact CD2-CG2 4.15Å
179I98.9Very high98.9Very high3 Ų320.6 Ų20.62%0.01510%0.099CC..EExtended strand (participates in β ladder)trans-130.9113.6-173.1-62.4169.9000107.8I116 H183 A185 M201 L219 F241I116-I179 HydrophobicContact CD1-CG2 4.19Å; I116-I179 HydrophobicContact CG1-CG2 3.86Å; I179-H183 HydrophobicContact CB-CB 4Å; I179-H183 HydrophobicContact CG2-CB 4.18Å; I179-H183 PolarHBondContact N-O 2.98Å; I179-H183 CarbonylContact O-C 3.14Å; I179-H183 WeakPolarHBondContact O-CA 3.11Å; I179-H183 VanDerWaalsContact O-CB 3.28Å; I179-H183 WeakPolarHBondContact O-CB 3.34Å; I179-H183 PolarHBondContact O-N 2.91Å; I179-H183 VanDerWaalsContact O-O 3.06Å; I179-A185 HydrophobicContact CD1-CB 3.84Å; I179-M201 HydrophobicContact CD1-CE 4.02Å; I179-M201 HydrophobicContact CG1-CE 3.97Å; I179-L219 HydrophobicContact CD1-CD1 4.17Å; I179-L219 HydrophobicContact CD1-CD2 4.11Å; I179-L219 HydrophobicContact CG2-CD1 4.46Å; I179-F241 HydrophobicContact CD1-CD2 3.79Å; I179-F241 HydrophobicContact CD1-CE2 3.98Å; I179-F241 HydrophobicContact CD1-CG 4.39Å; I179-F241 HydrophobicContact CG1-CD2 4.39Å; I179-F241 HydrophobicContact CG2-CB 4.08Å; I179-F241 HydrophobicContact CG2-CD1 3.54Å; I179-F241 HydrophobicContact CG2-CD2 4.01Å; I179-F241 HydrophobicContact CG2-CE1 3.82Å; I179-F241 HydrophobicContact CG2-CE2 4.25Å; I179-F241 HydrophobicContact CG2-CG 3.63Å; I179-F241 HydrophobicContact CG2-CZ 4.15Å
180G98.8Very high98.9Very high3 Ų321.2 Ų21.23%0.03110%0.104CC..THydrogen-bonded Turntrans74.1-138.2-17800000112.6D120 Y122D120-G180 CarbonylContact O-C 3.17Å; D120-G180 WeakPolarHBondContact O-CA 3.21Å; Y122-G180 WeakPolarHBondContact CD1-O 3.41Å; Y122-G180 WeakPolarHBondContact CE1-O 3.26Å
181G98.8Very high98.9Very high0 Ų017.3 Ų17.30%09%0.086CC..THydrogen-bonded Turntrans-95.8-27.2175.500000113.8D120 G158 T159D120-G181 PolarHBondContact O-N 2.75Å; D120-G181 VanDerWaalsContact O-N 3.1Å; D120-G181 PolarHBondContact OD1-N 2.96Å; D120-G181 PolarHBondContact OD2-N 3.1Å; G158-G181 CarbonylContact C-O 3.54Å; G158-G181 WeakPolarHBondContact CA-O 3.34Å; T159-G181 PolarHBondContact N-O 3.18Å
182H98.9Very high98.9Very high68 Ų6817.5 Ų17.532%0.3159%0.087SC..THydrogen-bonded Turntrans-137.6-21.3-171.7-53.884.4000114.4D120 V123D120-H182 IonicContact OD1-CE1 3.39Å; D120-H182 IonicContact OD1-CG 3.37Å; D120-H182 PolarHBondContact OD1-N 3.21Å; D120-H182 IonicContact OD1-ND1 2.77Å; D120-H182 PolarHBondContact OD1-ND1 3.43Å; D120-H182 PolarHBondContact OD2-N 2.99Å; V123-H182 WeakPolarHBondContact CG2-CE1 3.08Å; V123-H182 WeakPolarHBondContact CG2-NE2 3.35Å
183H98.9Very high98.9Very high22 Ų2215.1 Ų15.110%0.1028%0.076CC..EExtended strand (participates in β ladder)trans-81.8164.8-177.9-55.777.5000111.7D120 I179 S216 D218 L219D120-H183 IonicContact OD2-CE1 3.59Å; D120-H183 IonicContact OD2-CG 3.63Å; D120-H183 PolarHBondContact OD2-N 3.47Å; D120-H183 IonicContact OD2-ND1 2.59Å; D120-H183 PolarHBondContact OD2-ND1 3.49Å; I179-H183 HydrophobicContact CB-CB 4Å; I179-H183 HydrophobicContact CG2-CB 4.18Å; I179-H183 PolarHBondContact N-O 2.98Å; I179-H183 CarbonylContact O-C 3.14Å; I179-H183 WeakPolarHBondContact O-CA 3.11Å; I179-H183 VanDerWaalsContact O-CB 3.28Å; I179-H183 WeakPolarHBondContact O-CB 3.34Å; I179-H183 PolarHBondContact O-N 2.91Å; I179-H183 VanDerWaalsContact O-O 3.06Å; H183-S216 VanDerWaalsContact CA-OG 3.29Å; H183-S216 WeakPolarHBondContact CA-OG 3.31Å; H183-D218 IonicContact CD2-OD1 2.67Å; H183-D218 IonicContact NE2-OD1 3.19Å; H183-D218 IonicContact NE2-OD2 3.75Å; H183-L219 HydrophobicContact CB-CD1 4.07Å
184W99Very high98.9Very high21 Ų2115 Ų158%0.088%0.076CC..EExtended strand (participates in β ladder)trans-162.7156.8-179.657.8-84.6000110.5V147 G151 L154 L176 E177 A186 L214 C215 S216V147-W184 HydrophobicContact CG1-CE3 4.45Å; V147-W184 HydrophobicContact CG1-CH2 4.3Å; V147-W184 HydrophobicContact CG1-CZ3 3.65Å; G151-W184 PolarHBondContact O-NE1 3.38Å; L154-W184 HydrophobicContact CD1-CB 3.96Å; L154-W184 HydrophobicContact CD1-CG 4.27Å; L176-W184 HydrophobicContact CD1-CB 4.41Å; L176-W184 HydrophobicContact CD1-CD2 4.15Å; L176-W184 HydrophobicContact CD1-CE3 3.62Å; L176-W184 HydrophobicContact CD1-CG 4.49Å; L176-W184 HydrophobicContact CD1-CZ3 4.24Å; L176-W184 HydrophobicContact CD2-CB 4.26Å; L176-W184 HydrophobicContact CG-CB 4.38Å; L176-W184 HydrophobicContact CG-CE3 4.22Å; E177-W184 VanDerWaalsContact O-CA 3.31Å; E177-W184 WeakPolarHBondContact O-CA 3.41Å; W184-A186 HydrophobicContact CE3-CB 4.44Å; W184-A186 HydrophobicContact CZ3-CB 4.29Å; W184-L214 HydrophobicContact CH2-CB 3.97Å; W184-L214 HydrophobicContact CZ3-CB 3.74Å; W184-C215 WeakPolarHBondContact O-CA 3.22Å; W184-C215 WeakPolarHBondContact O-CB 3.49Å; W184-S216 VanDerWaalsContact CD1-OG 3.23Å; W184-S216 PolarHBondContact N-OG 2.91Å; W184-S216 PolarHBondContact NE1-OG 3.01Å; W184-S216 PolarHBondContact O-N 2.91Å; W184-S216 PolarHBondContact O-OG 3.21Å
185A99Very high98.9Very high0 Ų015 Ų150%08%0.076CC..EExtended strand (participates in β ladder)trans-138.9152.1168.300000109.6L176 E177 I179 F206 L214 C215 L219 L237L176-A185 CarbonylContact C-O 3.51Å; L176-A185 WeakPolarHBondContact CA-O 3.29Å; E177-A185 PolarHBondContact N-O 3.26Å; E177-A185 PolarHBondContact O-N 3.2Å; E177-A185 VanDerWaalsContact O-N 3.08Å; I179-A185 HydrophobicContact CD1-CB 3.84Å; A185-F206 HydrophobicContact CB-CE2 4.1Å; A185-F206 HydrophobicContact CB-CZ 4.22Å; A185-L214 CarbonylContact C-O 3.08Å; A185-C215 HydrophobicContact CB-CB 4.09Å; A185-L219 HydrophobicContact CB-CD2 3.9Å; A185-L237 HydrophobicContact CB-CD1 3.36Å
186A99Very high98.9Very high0 Ų015.1 Ų15.10%08%0.077CC..EExtended strand (participates in β ladder)trans-144.4146.4179.800000112.2V147 W174 W175 L176 W184 T213 L214V147-A186 HydrophobicContact CG1-CB 3.43Å; V147-A186 VanDerWaalsContact CG1-CB 3.43Å; V147-A186 HydrophobicContact CG2-CB 4.23Å; W174-A186 HydrophobicContact CE3-CB 4.21Å; W175-A186 CarbonylContact O-C 3.59Å; W175-A186 WeakPolarHBondContact O-CA 3.46Å; W175-A186 WeakPolarHBondContact O-CB 3.42Å; L176-A186 HydrophobicContact CB-CB 3.84Å; L176-A186 HydrophobicContact CD1-CB 4.46Å; L176-A186 HydrophobicContact CG-CB 4.21Å; W184-A186 HydrophobicContact CE3-CB 4.44Å; W184-A186 HydrophobicContact CZ3-CB 4.29Å; A186-T213 WeakPolarHBondContact O-CA 3.36Å; A186-L214 PolarHBondContact N-O 3.42Å; A186-L214 PolarHBondContact O-N 2.98Å
187V99Very high98.9Very high19 Ų1915.1 Ų15.112%0.1158%0.077CC..EExtended strand (participates in β ladder)trans-127.6132.4-179.5178.20000109.3W174 W175 I203 F206 D212 T213 F278W174-V187 WeakPolarHBondContact CA-O 3.22Å; W175-V187 PolarHBondContact N-O 3.01Å; W175-V187 PolarHBondContact O-N 3.34Å; V187-I203 HydrophobicContact CG2-CD1 4.12Å; V187-I203 HydrophobicContact CG2-CG1 4.18Å; V187-I203 HydrophobicContact CG2-CG2 3.81Å; V187-F206 HydrophobicContact CG2-CD2 3.88Å; V187-F206 HydrophobicContact CG2-CE2 3.92Å; V187-D212 WeakPolarHBondContact CA-O 3.49Å; V187-T213 HydrophobicContact CG2-CG2 4.43Å; V187-F278 HydrophobicContact CB-CE1 4.09Å; V187-F278 HydrophobicContact CG1-CE1 4.2Å; V187-F278 HydrophobicContact CG2-CE1 4.36Å
188R98.9Very high98.9Very high41 Ų4115.3 Ų15.316%0.1558%0.078CC..EExtended strand (participates in β ladder)trans-74.9120.2166.3-175.7173160.4-106.6-8.6108.7E172 V173 W174 P190 D191 D212E172-R188 VanDerWaalsContact CD-NE 3.3Å; E172-R188 WeakPolarHBondContact OE1-CD 3.39Å; E172-R188 IonicContact OE1-CZ 3.33Å; E172-R188 IonicContact OE1-NE 3.21Å; E172-R188 PolarHBondContact OE1-NE 2.84Å; E172-R188 IonicContact OE2-NE 2.78Å; V173-R188 CarbonylContact O-C 3.39Å; V173-R188 WeakPolarHBondContact O-CA 3.41Å; W174-R188 HydrophobicContact CD2-CB 3.83Å; W174-R188 HydrophobicContact CD2-CG 4.42Å; W174-R188 HydrophobicContact CE3-CB 4Å; W174-R188 VanDerWaalsContact CE3-N 3.34Å; W174-R188 HydrophobicContact CG-CB 4.49Å; W174-R188 HydrophobicContact CH2-CB 3.86Å; W174-R188 HydrophobicContact CZ2-CB 3.69Å; W174-R188 HydrophobicContact CZ2-CG 4.21Å; W174-R188 HydrophobicContact CZ3-CB 4.01Å; R188-P190 WeakPolarHBondContact O-CD 3.49Å; R188-D191 IonicContact NH2-OD1 3.99Å; R188-D191 PolarHBondContact NH2-OD1 3.48Å; R188-D212 HydrophobicContact CB-CB 4.03Å; R188-D212 WeakPolarHBondContact CD-OD1 3.44Å; R188-D212 IonicContact CZ-OD1 3.58Å; R188-D212 PolarHBondContact N-O 3.3Å; R188-D212 IonicContact NE-OD1 3.6Å; R188-D212 IonicContact NH1-OD1 3.01Å; R188-D212 PolarHBondContact NH1-OD1 2.69Å; R188-D212 IonicContact NH1-OD2 2.67Å
189I98.9Very high98.9Very high1 Ų115.6 Ų15.61%0.0058%0.079CC..PPolyproline II helixtrans-69.3125.3176.3-49.8-49000107.8L21 V173 W175 A193 V195 F278 I279L21-I189 HydrophobicContact CB-CG1 4.46Å; L21-I189 HydrophobicContact CD1-CD1 4.14Å; L21-I189 HydrophobicContact CD1-CG1 3.92Å; V173-I189 HydrophobicContact CB-CB 4.19Å; V173-I189 HydrophobicContact CB-CG1 4.34Å; V173-I189 HydrophobicContact CG1-CB 4.25Å; V173-I189 HydrophobicContact CG1-CG1 3.89Å; V173-I189 PolarHBondContact O-N 2.73Å; W175-I189 HydrophobicContact CB-CD1 4.12Å; I189-A193 HydrophobicContact CG2-CB 4.16Å; I189-V195 HydrophobicContact CD1-CG2 3.63Å; I189-V195 HydrophobicContact CG1-CG2 4.2Å; I189-V195 HydrophobicContact CG2-CG2 4.12Å; I189-F278 HydrophobicContact CD1-CE1 4.2Å; I189-F278 HydrophobicContact CD1-CZ 3.9Å; I189-I279 HydrophobicContact CD1-CD1 3.71Å; I189-I279 HydrophobicContact CG2-CD1 4.45Å
190P98.9Very high98.9Very high33 Ų3316 Ų1621%0.2148%0.08CC..PPolyproline II helixtrans-56144.7179.8-27.835.5000112.2R188 D192 A193 I279R188-P190 WeakPolarHBondContact O-CD 3.49Å; P190-D192 PolarHBondContact O-N 3.01Å; P190-A193 HydrophobicContact CB-CB 3.93Å; P190-A193 HydrophobicContact CG-CB 4.21Å; P190-A193 WeakPolarHBondContact O-CB 3.34Å; P190-A193 PolarHBondContact O-N 2.91Å; P190-I279 HydrophobicContact CG-CG2 4Å
191D98.9Very high98.9Very high22 Ų2216 Ų1612%0.1188%0.08CC..THydrogen-bonded Turntrans-49.5-35.9-178.9-74-2.3000113G23 K24 K25 A26 R188G23-D191 CarbonylContact C-O 3.59Å; G23-D191 WeakPolarHBondContact CA-O 3.28Å; K24-D191 HydrophobicContact CG-CB 4.33Å; K24-D191 PolarHBondContact N-O 2.64Å; K24-D191 VanDerWaalsContact NZ-CG 3.29Å; K24-D191 IonicContact NZ-OD1 2.81Å; K24-D191 PolarHBondContact NZ-OD1 3.01Å; K24-D191 IonicContact NZ-OD2 2.77Å; K24-D191 PolarHBondContact NZ-OD2 3.28Å; K25-D191 CarbonylContact C-O 3.54Å; K25-D191 VanDerWaalsContact CA-O 3.3Å; K25-D191 WeakPolarHBondContact CA-O 3.04Å; K25-D191 HydrophobicContact CB-CB 4.11Å; K25-D191 WeakPolarHBondContact CB-O 3.44Å; K25-D191 HydrophobicContact CD-CB 3.71Å; K25-D191 WeakPolarHBondContact CE-OD2 3.35Å; K25-D191 HydrophobicContact CG-CB 3.91Å; K25-D191 PolarHBondContact N-O 3.21Å; K25-D191 IonicContact NZ-OD2 3.21Å; K25-D191 PolarHBondContact NZ-OD2 3.19Å; A26-D191 PolarHBondContact N-O 3.42Å; R188-D191 IonicContact NH2-OD1 3.99Å; R188-D191 PolarHBondContact NH2-OD1 3.48Å
192D98.9Very high98.9Very high75 Ų7516.6 Ų16.640%0.4018%0.083SC..THydrogen-bonded Turntrans-93.38.5-175.973.5-35000114.4P190 R281P190-D192 PolarHBondContact O-N 3.01Å; D192-R281 VanDerWaalsContact CG-NE 3.34Å; D192-R281 IonicContact OD1-CZ 3.48Å; D192-R281 IonicContact OD1-NE 3.99Å; D192-R281 PolarHBondContact OD1-NE 3.09Å; D192-R281 IonicContact OD1-NH2 2.67Å; D192-R281 PolarHBondContact OD1-NH2 2.97Å; D192-R281 IonicContact OD2-CZ 3.55Å; D192-R281 IonicContact OD2-NE 2.73Å; D192-R281 PolarHBondContact OD2-NE 2.85Å; D192-R281 IonicContact OD2-NH2 3.53Å
193A98.9Very high98.9Very high0 Ų013.4 Ų13.40%07%0.068CC..  trans-115.1167.7-172.400000114.3G23 A26 I189 P190 I279 C280G23-A193 PolarHBondContact N-O 3.11Å; A26-A193 WeakPolarHBondContact CB-O 3.39Å; I189-A193 HydrophobicContact CG2-CB 4.16Å; P190-A193 HydrophobicContact CB-CB 3.93Å; P190-A193 HydrophobicContact CG-CB 4.21Å; P190-A193 WeakPolarHBondContact O-CB 3.34Å; P190-A193 PolarHBondContact O-N 2.91Å; A193-I279 HydrophobicContact CB-CG2 3.67Å; A193-C280 CarbonylContact C-O 3.55Å; A193-C280 WeakPolarHBondContact CA-O 3.22Å; A193-C280 VanDerWaalsContact CB-O 3.26Å; A193-C280 WeakPolarHBondContact CB-O 3.46Å
194Y99Very high98.9Very high0 Ų013.5 Ų13.50%07%0.07CC..EExtended strand (participates in β ladder)trans-136.5163.9169.476.9-82.7000110.6L21 V196 Q260 F263 T264 C280 A282 I286L21-Y194 CarbonylContact O-C 3.59Å; L21-Y194 WeakPolarHBondContact O-CA 3.42Å; L21-Y194 VanDerWaalsContact O-CB 3.29Å; L21-Y194 WeakPolarHBondContact O-CB 3.12Å; Y194-V196 HydrophobicContact CD2-CG2 4.07Å; Y194-V196 HydrophobicContact CE2-CG2 3.91Å; Y194-Q260 HydrophobicContact CE2-CG 4.47Å; Y194-Q260 WeakPolarHBondContact OH-CA 3.34Å; Y194-F263 HydrophobicContact CD1-CB 4.44Å; Y194-F263 AromaticContact CD2-CD2 3.84Å; Y194-F263 HydrophobicContact CD2-CD2 3.84Å; Y194-F263 HydrophobicContact CD2-CE2 4.46Å; Y194-F263 HydrophobicContact CD2-CG 4.4Å; Y194-F263 HydrophobicContact CE1-CB 3.71Å; Y194-F263 HydrophobicContact CE1-CG 4.46Å; Y194-F263 HydrophobicContact CE2-CB 3.8Å; Y194-F263 AromaticContact CE2-CD2 3.57Å; Y194-F263 HydrophobicContact CE2-CD2 3.57Å; Y194-F263 HydrophobicContact CE2-CG 4.04Å; Y194-F263 WeakPolarHBondContact OH-CB 3.29Å; Y194-T264 HydrophobicContact CE1-CG2 4.01Å; Y194-T264 PolarHBondContact OH-OG1 3.38Å; Y194-T264 VanDerWaalsContact OH-OG1 3.1Å; Y194-C280 HydrophobicContact CD1-CB 3.82Å; Y194-C280 WeakPolarHBondContact CD1-O 3.43Å; Y194-C280 HydrophobicContact CD2-CB 4.27Å; Y194-C280 HydrophobicContact CE1-CB 3.25Å; Y194-C280 HydrophobicContact CE2-CB 3.75Å; Y194-C280 HydrophobicContact CG-CB 4.29Å; Y194-C280 PolarHBondContact N-O 2.82Å; Y194-C280 PolarHBondContact O-N 3.36Å; Y194-C280 WeakPolarHBondContact OH-CB 3.36Å; Y194-A282 HydrophobicContact CD1-CB 3.87Å; Y194-A282 HydrophobicContact CE1-CB 3.8Å; Y194-I286 HydrophobicContact CD1-CD1 4.09Å; Y194-I286 HydrophobicContact CD2-CD1 4.49Å; Y194-I286 HydrophobicContact CG-CD1 3.83Å
195V99Very high98.9Very high1 Ų118.6 Ų18.61%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-132.4145.8175.7176.10000109.3V20 L21 I189 A197 F278 I279V20-V195 WeakPolarHBondContact CA-O 3.33Å; L21-V195 HydrophobicContact CB-CB 4.03Å; L21-V195 HydrophobicContact CB-CG2 4.46Å; L21-V195 HydrophobicContact CD1-CB 4.04Å; L21-V195 HydrophobicContact CD1-CG1 4.32Å; L21-V195 HydrophobicContact CD1-CG2 4.24Å; L21-V195 HydrophobicContact CG-CB 4.11Å; L21-V195 PolarHBondContact N-O 2.86Å; L21-V195 PolarHBondContact O-N 2.83Å; I189-V195 HydrophobicContact CD1-CG2 3.63Å; I189-V195 HydrophobicContact CG1-CG2 4.2Å; I189-V195 HydrophobicContact CG2-CG2 4.12Å; V195-A197 HydrophobicContact CG1-CB 4.02Å; V195-F278 HydrophobicContact CB-CE2 4.41Å; V195-F278 HydrophobicContact CG1-CD2 3.71Å; V195-F278 HydrophobicContact CG1-CE2 3.49Å; V195-F278 VanDerWaalsContact CG1-CE2 3.49Å; V195-F278 HydrophobicContact CG1-CZ 4.47Å; V195-F278 HydrophobicContact CG2-CD2 4.26Å; V195-F278 HydrophobicContact CG2-CE2 3.98Å; V195-F278 HydrophobicContact CG2-CZ 4.27Å; V195-I279 HydrophobicContact CG2-CD1 3.98Å
196V98.9Very high98.9Very high5 Ų519.2 Ų19.23%0.0310%0.101CC..EExtended strand (participates in β ladder)trans-125.6103.9165-1760000107.8T19 V20 Y194 P198T19-V196 CarbonylContact O-C 3.29Å; T19-V196 WeakPolarHBondContact O-CA 3.2Å; V20-V196 HydrophobicContact CG2-CG1 4.34Å; V20-V196 HydrophobicContact CG2-CG2 4.28Å; Y194-V196 HydrophobicContact CD2-CG2 4.07Å; Y194-V196 HydrophobicContact CE2-CG2 3.91Å; V196-P198 WeakPolarHBondContact O-CD 3.23Å
197A98.9Very high98.8Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-108.6112.9-171.600000111T19 W175 V195 N202T19-A197 PolarHBondContact N-O 2.73Å; T19-A197 PolarHBondContact O-N 2.87Å; W175-A197 HydrophobicContact CH2-CB 4.25Å; W175-A197 HydrophobicContact CZ2-CB 3.88Å; V195-A197 HydrophobicContact CG1-CB 4.02Å; A197-N202 WeakPolarHBondContact CA-OD1 3.46Å
198P98.7Very high98.8Very high3 Ų324.8 Ų24.82%0.01913%0.128CC..  trans-89-168.5170.736.5-37.5000112V196 R200 N202 N252 R255 A256V196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-R200 PolarHBondContact O-N 2.92Å; P198-N202 WeakPolarHBondContact CD-OD1 3.48Å; P198-N252 HydrophobicContact CB-CB 4.07Å; P198-N252 HydrophobicContact CG-CB 3.94Å; P198-N252 WeakPolarHBondContact CG-O 3.37Å; P198-R255 HydrophobicContact CB-CB 4.25Å; P198-A256 HydrophobicContact CG-CB 4.25Å
199N98.5Very high98.8Very high10 Ų1030.3 Ų30.35%0.05316%0.161CC..SBendtrans-75.651.1179.4-60114.4000114.3S16 C17 E108 T109 T111 Y251 N252 R255S16-N199 WeakPolarHBondContact CA-ND2 3.45Å; S16-N199 WeakPolarHBondContact CB-OD1 3.4Å; S16-N199 PolarHBondContact OG-OD1 3.03Å; C17-N199 PolarHBondContact N-ND2 3.02Å; C17-N199 PolarHBondContact N-OD1 3.34Å; C17-N199 VanDerWaalsContact N-OD1 3.17Å; C17-N199 PolarHBondContact O-OD1 2.9Å; C17-N199 VanDerWaalsContact O-OD1 3.06Å; E108-N199 VanDerWaalsContact OE1-CG 3.3Å; E108-N199 PolarHBondContact OE1-ND2 3.49Å; T109-N199 CarbonylContact O-C 3.47Å; T109-N199 WeakPolarHBondContact O-CA 3.24Å; T109-N199 WeakPolarHBondContact O-CB 3.5Å; T109-N199 PolarHBondContact O-ND2 3.14Å; T111-N199 WeakPolarHBondContact CG2-O 3.31Å; N199-Y251 HydrophobicContact CB-CE1 4.23Å; N199-N252 WeakPolarHBondContact CA-OD1 3.14Å; N199-N252 WeakPolarHBondContact CB-OD1 3.46Å; N199-N252 PolarHBondContact N-OD1 2.73Å; N199-N252 PolarHBondContact O-ND2 2.93Å; N199-N252 PolarHBondContact O-OD1 3.1Å; N199-R255 PolarHBondContact OD1-NH2 2.77Å
200R98.7Very high98.8Very high12 Ų1232 Ų325%0.04517%0.172CC..SBendtrans-141.2149.1177.6-174.9-179.1170.1-137.2-10.1107.5I110 P198 N202 S243 N252 N253 Q274I110-R200 VanDerWaalsContact CG2-O 3.29Å; I110-R200 WeakPolarHBondContact CG2-O 3.34Å; P198-R200 PolarHBondContact O-N 2.92Å; R200-N202 PolarHBondContact O-N 3.28Å; R200-N202 PolarHBondContact O-ND2 3.33Å; R200-N202 PolarHBondContact O-OD1 2.87Å; R200-S243 PolarHBondContact NE-O 3.06Å; R200-S243 PolarHBondContact NH2-O 3.43Å; R200-N252 HydrophobicContact CB-CB 3.91Å; R200-N253 WeakPolarHBondContact CD-OD1 3.44Å; R200-N253 PolarHBondContact NH1-OD1 3.15Å; R200-Q274 VanDerWaalsContact CZ-O 3.23Å; R200-Q274 PolarHBondContact NH1-O 3.31Å; R200-Q274 PolarHBondContact NH2-O 2.86Å
201M98.9Very high98.8Very high3 Ų334.5 Ų34.52%0.01520%0.196CC..  trans-60.5128.8171.5-169.6177.4-177.500109.8I110 T111 E177 I179 L237 R238 F241 G242I110-M201 HydrophobicContact CD1-CB 4.44Å; I110-M201 HydrophobicContact CD1-CG 4.3Å; T111-M201 PolarHBondContact OG1-N 3.26Å; E177-M201 HydrophobicContact CB-CE 4.44Å; E177-M201 WeakPolarHBondContact OE2-CG 3.18Å; I179-M201 HydrophobicContact CD1-CE 4.02Å; I179-M201 HydrophobicContact CG1-CE 3.97Å; M201-L237 HydrophobicContact CE-CB 3.84Å; M201-R238 HydrophobicContact CB-CB 4.23Å; M201-R238 HydrophobicContact CG-CB 4.16Å; M201-R238 WeakPolarHBondContact O-CB 3.5Å; M201-F241 HydrophobicContact CE-CB 4.02Å; M201-F241 HydrophobicContact CE-CD2 4.35Å; M201-F241 HydrophobicContact SD-CB 3.65Å; M201-G242 PolarHBondContact SD-N 3.41Å; M201-G242 VanDerWaalsContact SD-N 3.39Å
202N98.9Very high98.8Very high13 Ų1336.2 Ų36.27%0.0721%0.205CC..  trans-105.5-39.3-164.6-57.6-82.3000112.9E177 A197 P198 R200 D204 R238 F278E177-N202 VanDerWaalsContact OE1-CB 3.29Å; E177-N202 WeakPolarHBondContact OE1-CB 3.39Å; E177-N202 PolarHBondContact OE1-N 3.48Å; E177-N202 PolarHBondContact OE1-ND2 3.09Å; E177-N202 PolarHBondContact OE2-N 3.47Å; E177-N202 VanDerWaalsContact OE2-N 3.08Å; A197-N202 WeakPolarHBondContact CA-OD1 3.46Å; P198-N202 WeakPolarHBondContact CD-OD1 3.48Å; R200-N202 PolarHBondContact O-N 3.28Å; R200-N202 PolarHBondContact O-ND2 3.33Å; R200-N202 PolarHBondContact O-OD1 2.87Å; N202-D204 PolarHBondContact O-N 2.97Å; N202-D204 VanDerWaalsContact O-N 3.09Å; N202-R238 PolarHBondContact O-NH1 3.02Å; N202-F278 HydrophobicContact CB-CD2 3.62Å; N202-F278 HydrophobicContact CB-CE2 3.78Å
203I98.9Very high98.8Very high1 Ų133.5 Ų33.51%0.00519%0.191CC..  trans-59.4116.9-172.3-64167.9000109E177 V187 F206 L237 R238 F278E177-I203 HydrophobicContact CB-CD1 4.04Å; E177-I203 HydrophobicContact CG-CD1 3.76Å; E177-I203 HydrophobicContact CG-CG1 4.13Å; E177-I203 WeakPolarHBondContact OE2-CG1 3.43Å; E177-I203 PolarHBondContact OE2-N 3.49Å; V187-I203 HydrophobicContact CG2-CD1 4.12Å; V187-I203 HydrophobicContact CG2-CG1 4.18Å; V187-I203 HydrophobicContact CG2-CG2 3.81Å; I203-F206 HydrophobicContact CG2-CD2 3.95Å; I203-L237 HydrophobicContact CB-CB 4.39Å; I203-L237 HydrophobicContact CG2-CB 4.11Å; I203-L237 HydrophobicContact CG2-CD1 3.93Å; I203-L237 HydrophobicContact CG2-CG 4.09Å; I203-R238 WeakPolarHBondContact O-CB 3.31Å; I203-R238 WeakPolarHBondContact O-CG 3.38Å; I203-R238 PolarHBondContact O-N 2.86Å; I203-F278 HydrophobicContact CG1-CD1 4.49Å; I203-F278 HydrophobicContact CG1-CE1 3.92Å; I203-F278 HydrophobicContact CG1-CZ 4.01Å
204D98.8Very high98.8Very high24 Ų2435.1 Ų35.113%0.12820%0.2CC..  trans-91.9-112.317950.215.4000110.1N202 F206 N236 L237 F278N202-D204 PolarHBondContact O-N 2.97Å; N202-D204 VanDerWaalsContact O-N 3.09Å; D204-F206 PolarHBondContact O-N 3.06Å; D204-N236 WeakPolarHBondContact CA-ND2 3.3Å; D204-N236 WeakPolarHBondContact CB-ND2 3.49Å; D204-N236 CarbonylContact O-C 3.56Å; D204-N236 VanDerWaalsContact O-CA 3.25Å; D204-N236 WeakPolarHBondContact O-CA 3.42Å; D204-L237 PolarHBondContact O-N 2.85Å; D204-F278 HydrophobicContact CB-CB 4.43Å; D204-F278 VanDerWaalsContact CG-CB 3.41Å; D204-F278 WeakPolarHBondContact OD1-CB 3.48Å; D204-F278 VanDerWaalsContact OD2-CB 3.26Å; D204-F278 WeakPolarHBondContact OD2-CB 3.19Å; D204-F278 PolarHBondContact OD2-N 2.95Å
205D98.6Very high98.8Very high127 Ų12736.6 Ų36.668%0.67921%0.21SC*.BIsolated β-bridgetrans-73.2125.4-171.5-65.9-18.8000110.9N236D205-N236 PolarHBondContact OD1-ND2 3.2Å
206F98.9Very high98.8Very high14 Ų1437 Ų376%0.06121%0.213CC..  trans-126.7124.3-170.5-169.1-90.5000112.3A185 V187 I203 D204 F208 T213 C215 Y235 L237A185-F206 HydrophobicContact CB-CE2 4.1Å; A185-F206 HydrophobicContact CB-CZ 4.22Å; V187-F206 HydrophobicContact CG2-CD2 3.88Å; V187-F206 HydrophobicContact CG2-CE2 3.92Å; I203-F206 HydrophobicContact CG2-CD2 3.95Å; D204-F206 PolarHBondContact O-N 3.06Å; F206-F208 HydrophobicContact CD1-CD1 4.1Å; F206-F208 HydrophobicContact CD1-CD2 4.16Å; F206-F208 HydrophobicContact CD1-CE1 4.03Å; F206-F208 HydrophobicContact CD1-CE2 4.09Å; F206-F208 HydrophobicContact CD1-CG 4.16Å; F206-F208 HydrophobicContact CD1-CZ 4.02Å; F206-F208 AromaticContact CE1-CD1 3.69Å; F206-F208 HydrophobicContact CE1-CD1 3.69Å; F206-F208 AromaticContact CE1-CE1 3.77Å; F206-F208 HydrophobicContact CE1-CE1 3.77Å; F206-F208 HydrophobicContact CE1-CG 4.08Å; F206-F208 HydrophobicContact CE1-CZ 4.24Å; F206-T213 HydrophobicContact CD2-CG2 3.98Å; F206-T213 HydrophobicContact CE2-CG2 3.66Å; F206-T213 HydrophobicContact CZ-CG2 3.97Å; F206-C215 HydrophobicContact CE1-CB 4.39Å; F206-C215 HydrophobicContact CZ-CB 4.04Å; F206-Y235 PolarHBondContact N-O 3.16Å; F206-L237 HydrophobicContact CB-CD1 4.02Å; F206-L237 HydrophobicContact CB-CD2 3.95Å; F206-L237 HydrophobicContact CB-CG 3.63Å; F206-L237 HydrophobicContact CD1-CD1 4.18Å; F206-L237 HydrophobicContact CD1-CD2 4.38Å; F206-L237 HydrophobicContact CD1-CG 4.49Å; F206-L237 HydrophobicContact CD2-CD1 3.61Å; F206-L237 HydrophobicContact CD2-CG 4.19Å; F206-L237 HydrophobicContact CE2-CD1 4.03Å; F206-L237 HydrophobicContact CG-CD1 3.68Å; F206-L237 HydrophobicContact CG-CD2 4.21Å; F206-L237 HydrophobicContact CG-CG 3.88Å; F206-L237 HydrophobicContact CZ-CD1 4.48Å
207D98.8Very high98.7Very high90 Ų9043.5 Ų43.548%0.48125%0.247SC..  trans-102.2109.8176.3178.17.5000109.7D209 S210 T213D207-D209 PolarHBondContact O-N 3.1Å; D207-D209 PolarHBondContact OD1-N 3.13Å; D207-S210 WeakPolarHBondContact O-CB 3.3Å; D207-S210 PolarHBondContact O-N 3.02Å; D207-T213 WeakPolarHBondContact O-CG2 3.48Å; D207-T213 PolarHBondContact O-OG1 2.95Å
208F98.7Very high98.7Very high45 Ų4547.4 Ų47.420%0.19727%0.268CS..THydrogen-bonded Turntrans-66.2-19.6179.8-69.9-86.4000114.2F206 L219 K220 I223 Y235F206-F208 HydrophobicContact CD1-CD1 4.1Å; F206-F208 HydrophobicContact CD1-CD2 4.16Å; F206-F208 HydrophobicContact CD1-CE1 4.03Å; F206-F208 HydrophobicContact CD1-CE2 4.09Å; F206-F208 HydrophobicContact CD1-CG 4.16Å; F206-F208 HydrophobicContact CD1-CZ 4.02Å; F206-F208 AromaticContact CE1-CD1 3.69Å; F206-F208 HydrophobicContact CE1-CD1 3.69Å; F206-F208 AromaticContact CE1-CE1 3.77Å; F206-F208 HydrophobicContact CE1-CE1 3.77Å; F206-F208 HydrophobicContact CE1-CG 4.08Å; F206-F208 HydrophobicContact CE1-CZ 4.24Å; F208-L219 HydrophobicContact CE1-CB 4.29Å; F208-L219 HydrophobicContact CE1-CD2 4.25Å; F208-L219 HydrophobicContact CE1-CG 4.38Å; F208-K220 HydrophobicContact CD1-CB 3.92Å; F208-K220 HydrophobicContact CD1-CG 4.49Å; F208-K220 HydrophobicContact CD2-CB 4.36Å; F208-K220 HydrophobicContact CD2-CD 3.91Å; F208-K220 HydrophobicContact CD2-CG 4.06Å; F208-K220 HydrophobicContact CE1-CB 3.74Å; F208-K220 HydrophobicContact CE1-CG 4.38Å; F208-K220 HydrophobicContact CE2-CB 4.18Å; F208-K220 HydrophobicContact CE2-CD 4.29Å; F208-K220 HydrophobicContact CE2-CG 3.92Å; F208-K220 HydrophobicContact CG-CB 4.24Å; F208-K220 HydrophobicContact CG-CD 4.1Å; F208-K220 HydrophobicContact CG-CG 4.35Å; F208-K220 HydrophobicContact CZ-CB 3.88Å; F208-K220 HydrophobicContact CZ-CG 4.11Å; F208-I223 HydrophobicContact CZ-CD1 3.88Å; F208-Y235 HydrophobicContact CD2-CD2 4.32Å; F208-Y235 HydrophobicContact CD2-CG 4.44Å; F208-Y235 AromaticContact CE2-CD1 3.93Å; F208-Y235 HydrophobicContact CE2-CD1 3.93Å; F208-Y235 AromaticContact CE2-CD2 3.99Å; F208-Y235 HydrophobicContact CE2-CD2 3.99Å; F208-Y235 HydrophobicContact CE2-CE1 4.44Å; F208-Y235 AromaticContact CE2-CG 3.69Å; F208-Y235 HydrophobicContact CE2-CG 3.69Å
209D98.5Very high98.7Very high158 Ų15847.2 Ų47.285%0.84527%0.267SS*.THydrogen-bonded Turntrans-95.3-0.6-178.8-67.6-42.9000112.3D207D207-D209 PolarHBondContact O-N 3.1Å; D207-D209 PolarHBondContact OD1-N 3.13Å
210S98.5Very high98.8Very high36 Ų3650.5 Ų50.525%0.25228%0.281SS..  trans-77143.3-177.7-177.80000113.1D207 D212 T213D207-S210 WeakPolarHBondContact O-CB 3.3Å; D207-S210 PolarHBondContact O-N 3.02Å; S210-D212 PolarHBondContact O-N 3.36Å; S210-D212 PolarHBondContact OG-N 2.86Å; S210-D212 VanDerWaalsContact OG-N 3.13Å; S210-T213 PolarHBondContact O-N 2.99Å; S210-T213 PolarHBondContact O-OG1 3.47Å
211A98.3Very high98.8Very high85 Ų8552.1 Ų52.170%0.70230%0.297SS*.THydrogen-bonded Turntrans-71.7-18170.900000113.1T213A211-T213 VanDerWaalsContact C-N 3.29Å
212D98.8Very high98.8Very high58 Ų5853.1 Ų53.131%0.3130%0.302SS..THydrogen-bonded Turntrans-90.411.1178.5-68.8-35.6000112.5V187 R188 S210V187-D212 WeakPolarHBondContact CA-O 3.49Å; R188-D212 HydrophobicContact CB-CB 4.03Å; R188-D212 WeakPolarHBondContact CD-OD1 3.44Å; R188-D212 IonicContact CZ-OD1 3.58Å; R188-D212 PolarHBondContact N-O 3.3Å; R188-D212 IonicContact NE-OD1 3.6Å; R188-D212 IonicContact NH1-OD1 3.01Å; R188-D212 PolarHBondContact NH1-OD1 2.69Å; R188-D212 IonicContact NH1-OD2 2.67Å; S210-D212 PolarHBondContact O-N 3.36Å; S210-D212 PolarHBondContact OG-N 2.86Å; S210-D212 VanDerWaalsContact OG-N 3.13Å
213T98.9Very high98.8Very high18 Ų1852.5 Ų52.511%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-130.3149.8178.354.40000111.9A186 V187 F206 D207 S210 A211A186-T213 WeakPolarHBondContact O-CA 3.36Å; V187-T213 HydrophobicContact CG2-CG2 4.43Å; F206-T213 HydrophobicContact CD2-CG2 3.98Å; F206-T213 HydrophobicContact CE2-CG2 3.66Å; F206-T213 HydrophobicContact CZ-CG2 3.97Å; D207-T213 WeakPolarHBondContact O-CG2 3.48Å; D207-T213 PolarHBondContact O-OG1 2.95Å; S210-T213 PolarHBondContact O-N 2.99Å; S210-T213 PolarHBondContact O-OG1 3.47Å; A211-T213 VanDerWaalsContact C-N 3.29Å
214L98.9Very high98.7Very high35 Ų3555.6 Ų55.618%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-140.5148.2169.1-71.9177.3000108.8K144 V147 E148 W174 W184 A185 A186K144-L214 HydrophobicContact CD-CD1 4.45Å; K144-L214 HydrophobicContact CG-CD1 3.88Å; V147-L214 HydrophobicContact CB-CD1 4.19Å; V147-L214 HydrophobicContact CG1-CB 4.01Å; V147-L214 HydrophobicContact CG1-CD1 3.56Å; V147-L214 HydrophobicContact CG1-CG 4.43Å; E148-L214 HydrophobicContact CG-CD1 3.81Å; W174-L214 HydrophobicContact CH2-CD1 4.18Å; W174-L214 HydrophobicContact CH2-CG 4.02Å; W174-L214 HydrophobicContact CZ3-CB 4.31Å; W174-L214 HydrophobicContact CZ3-CD1 4.18Å; W174-L214 HydrophobicContact CZ3-CG 4Å; W184-L214 HydrophobicContact CH2-CB 3.97Å; W184-L214 HydrophobicContact CZ3-CB 3.74Å; A185-L214 CarbonylContact C-O 3.08Å; A186-L214 PolarHBondContact N-O 3.42Å; A186-L214 PolarHBondContact O-N 2.98Å
215C98.9Very high98.7Very high31 Ų3160.6 Ų60.621%0.20934%0.342CS..EExtended strand (participates in β ladder)trans-158177.5174.165.20000111.8W184 A185 F206 L219W184-C215 WeakPolarHBondContact O-CA 3.22Å; W184-C215 WeakPolarHBondContact O-CB 3.49Å; A185-C215 HydrophobicContact CB-CB 4.09Å; F206-C215 HydrophobicContact CE1-CB 4.39Å; F206-C215 HydrophobicContact CZ-CB 4.04Å; C215-L219 HydrophobicContact CB-CB 4.35Å; C215-L219 HydrophobicContact CB-CD2 3.67Å
216S98.9Very high98.8Very high10 Ų1057.8 Ų57.87%0.0733%0.327CS..  trans-57137.2166.2-43.80000111.1H183 W184 D218 L219H183-S216 VanDerWaalsContact CA-OG 3.29Å; H183-S216 WeakPolarHBondContact CA-OG 3.31Å; W184-S216 VanDerWaalsContact CD1-OG 3.23Å; W184-S216 PolarHBondContact N-OG 2.91Å; W184-S216 PolarHBondContact NE1-OG 3.01Å; W184-S216 PolarHBondContact O-N 2.91Å; W184-S216 PolarHBondContact O-OG 3.21Å; S216-D218 PolarHBondContact O-N 2.72Å; S216-D218 VanDerWaalsContact O-N 3.07Å; S216-L219 VanDerWaalsContact O-CB 3.29Å; S216-L219 WeakPolarHBondContact O-CB 3.37Å; S216-L219 PolarHBondContact O-N 2.96Å
217D98.6Very high98.7Very high140 Ų14065.3 Ų65.375%0.74936%0.362SS*.THydrogen-bonded Turntrans-55.6-30.7-172.5-48.8-66.9000113.7K155K155-D217 IonicContact NZ-OD2 3.53Å; K155-D217 PolarHBondContact NZ-OD2 3.43Å
218D98.8Very high98.7Very high82 Ų8261.3 Ų61.344%0.43934%0.34SS..THydrogen-bonded Turntrans-101.2-0.6-176.658.4-18.8000113.8H183 S216 K220 A221 L222H183-D218 IonicContact CD2-OD1 2.67Å; H183-D218 IonicContact NE2-OD1 3.19Å; H183-D218 IonicContact NE2-OD2 3.75Å; S216-D218 PolarHBondContact O-N 2.72Å; S216-D218 VanDerWaalsContact O-N 3.07Å; D218-K220 VanDerWaalsContact C-N 3.27Å; D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 VanDerWaalsContact O-N 3.16Å; D218-A221 PolarHBondContact O-N 3.17Å; D218-L222 PolarHBondContact O-N 2.98Å
219L98.9Very high98.7Very high0 Ų061.2 Ų61.20%034%0.342CS..Hα-helixtrans-55.7-41-172.8-171.268.5000112.4I179 H183 A185 F208 C215 S216 L222 I223 F241I179-L219 HydrophobicContact CD1-CD1 4.17Å; I179-L219 HydrophobicContact CD1-CD2 4.11Å; I179-L219 HydrophobicContact CG2-CD1 4.46Å; H183-L219 HydrophobicContact CB-CD1 4.07Å; A185-L219 HydrophobicContact CB-CD2 3.9Å; F208-L219 HydrophobicContact CE1-CB 4.29Å; F208-L219 HydrophobicContact CE1-CD2 4.25Å; F208-L219 HydrophobicContact CE1-CG 4.38Å; C215-L219 HydrophobicContact CB-CB 4.35Å; C215-L219 HydrophobicContact CB-CD2 3.67Å; S216-L219 VanDerWaalsContact O-CB 3.29Å; S216-L219 WeakPolarHBondContact O-CB 3.37Å; S216-L219 PolarHBondContact O-N 2.96Å; L219-L222 HydrophobicContact CD1-CD2 4.32Å; L219-L222 WeakPolarHBondContact O-CB 3.3Å; L219-I223 HydrophobicContact CG-CD1 4.37Å; L219-I223 WeakPolarHBondContact O-CD1 3.28Å; L219-I223 WeakPolarHBondContact O-CG1 3.38Å; L219-I223 PolarHBondContact O-N 2.94Å; L219-F241 HydrophobicContact CD1-CE1 4.4Å; L219-F241 HydrophobicContact CD1-CE2 3.77Å; L219-F241 HydrophobicContact CD1-CZ 3.48Å; L219-F241 VanDerWaalsContact CD1-CZ 3.48Å; L219-F241 HydrophobicContact CD2-CE2 4.32Å; L219-F241 HydrophobicContact CG-CE2 4.17Å; L219-F241 HydrophobicContact CG-CZ 4.13Å
220K98.8Very high98.7Very high79 Ų7957.2 Ų57.234%0.34332%0.324SS..Hα-helixtrans-65.5-44.2177.3-166.4-179.7-173.7-61.20112.4F208 D218 I223 D224 Y235F208-K220 HydrophobicContact CD1-CB 3.92Å; F208-K220 HydrophobicContact CD1-CG 4.49Å; F208-K220 HydrophobicContact CD2-CB 4.36Å; F208-K220 HydrophobicContact CD2-CD 3.91Å; F208-K220 HydrophobicContact CD2-CG 4.06Å; F208-K220 HydrophobicContact CE1-CB 3.74Å; F208-K220 HydrophobicContact CE1-CG 4.38Å; F208-K220 HydrophobicContact CE2-CB 4.18Å; F208-K220 HydrophobicContact CE2-CD 4.29Å; F208-K220 HydrophobicContact CE2-CG 3.92Å; F208-K220 HydrophobicContact CG-CB 4.24Å; F208-K220 HydrophobicContact CG-CD 4.1Å; F208-K220 HydrophobicContact CG-CG 4.35Å; F208-K220 HydrophobicContact CZ-CB 3.88Å; F208-K220 HydrophobicContact CZ-CG 4.11Å; D218-K220 VanDerWaalsContact C-N 3.27Å; D218-K220 PolarHBondContact O-N 2.88Å; D218-K220 VanDerWaalsContact O-N 3.16Å; K220-I223 PolarHBondContact O-N 3.03Å; K220-D224 IonicContact NZ-OD1 3.69Å; K220-D224 IonicContact NZ-OD2 2.76Å; K220-D224 PolarHBondContact NZ-OD2 2.8Å; K220-D224 PolarHBondContact O-N 2.9Å; K220-D224 VanDerWaalsContact O-N 3.09Å; K220-Y235 WeakPolarHBondContact CE-OH 3.24Å; K220-Y235 PolarHBondContact NZ-OH 2.93Å
221A98.8Very high98.8Very high46 Ų4658.3 Ų58.338%0.3833%0.327SS..Hα-helixtrans-65.8-41178.400000111.3D218 I223 D224 D225D218-A221 PolarHBondContact O-N 3.17Å; A221-I223 VanDerWaalsContact C-N 3.26Å; A221-I223 PolarHBondContact O-N 2.9Å; A221-D224 PolarHBondContact O-N 3.47Å; A221-D225 VanDerWaalsContact O-CB 3.28Å; A221-D225 WeakPolarHBondContact O-CB 3.45Å; A221-D225 PolarHBondContact O-N 3.17Å
222L98.8Very high98.8Very high23 Ų2364.5 Ų64.512%0.1234%0.339CS..Hα-helixtrans-53.1-43.9173.4-179.174.6000111.7I116 L119 D218 L219 N226 L228 F241I116-L222 HydrophobicContact CD1-CD2 3.73Å; L119-L222 HydrophobicContact CD1-CD1 4.25Å; D218-L222 PolarHBondContact O-N 2.98Å; L219-L222 HydrophobicContact CD1-CD2 4.32Å; L219-L222 WeakPolarHBondContact O-CB 3.3Å; L222-N226 WeakPolarHBondContact O-CB 3.42Å; L222-N226 PolarHBondContact O-N 2.86Å; L222-N226 PolarHBondContact O-ND2 2.87Å; L222-L228 HydrophobicContact CD2-CD1 4.5Å; L222-L228 HydrophobicContact CG-CD1 4.14Å; L222-F241 HydrophobicContact CD2-CE1 4.33Å
223I98.9Very high98.7Very high1 Ų170.2 Ų70.21%0.00536%0.364CS..Hα-helixtrans-66.6-52.6179.3-63.7161.3000111.4F208 L219 K220 A221 H227 L228 N229 Y235 L237 I240 F241F208-I223 HydrophobicContact CZ-CD1 3.88Å; L219-I223 HydrophobicContact CG-CD1 4.37Å; L219-I223 WeakPolarHBondContact O-CD1 3.28Å; L219-I223 WeakPolarHBondContact O-CG1 3.38Å; L219-I223 PolarHBondContact O-N 2.94Å; K220-I223 PolarHBondContact O-N 3.03Å; A221-I223 VanDerWaalsContact C-N 3.26Å; A221-I223 PolarHBondContact O-N 2.9Å; I223-H227 PolarHBondContact O-N 2.85Å; I223-L228 HydrophobicContact CG2-CB 4.35Å; I223-L228 PolarHBondContact O-N 2.84Å; I223-L228 VanDerWaalsContact O-N 3.12Å; I223-N229 HydrophobicContact CG2-CB 3.82Å; I223-Y235 HydrophobicContact CB-CE1 4.48Å; I223-Y235 HydrophobicContact CD1-CD1 4.22Å; I223-Y235 HydrophobicContact CG2-CD1 4.06Å; I223-Y235 HydrophobicContact CG2-CE1 3.87Å; I223-L237 HydrophobicContact CD1-CD2 4.5Å; I223-I240 HydrophobicContact CD1-CD1 4.21Å; I223-I240 HydrophobicContact CD1-CG2 4.36Å; I223-I240 HydrophobicContact CG1-CG2 3.97Å; I223-I240 HydrophobicContact CG2-CD1 4.24Å; I223-I240 HydrophobicContact CG2-CG2 4.2Å; I223-F241 HydrophobicContact CD1-CE2 3.78Å; I223-F241 HydrophobicContact CD1-CZ 3.68Å; I223-F241 HydrophobicContact CG1-CE1 4.18Å; I223-F241 HydrophobicContact CG1-CE2 4Å; I223-F241 HydrophobicContact CG1-CZ 3.39Å
224D98.7Very high98.7Very high65 Ų6571.7 Ų71.735%0.34838%0.383SS..Hα-helixtrans-68.2-45.8-172.2-68.4-23.2000111.5K220 A221 N226 Y235K220-D224 IonicContact NZ-OD1 3.69Å; K220-D224 IonicContact NZ-OD2 2.76Å; K220-D224 PolarHBondContact NZ-OD2 2.8Å; K220-D224 PolarHBondContact O-N 2.9Å; K220-D224 VanDerWaalsContact O-N 3.09Å; A221-D224 PolarHBondContact O-N 3.47Å; D224-N226 PolarHBondContact O-N 2.61Å; D224-Y235 VanDerWaalsContact CG-OH 3.29Å; D224-Y235 VanDerWaalsContact OD1-CE1 3.31Å; D224-Y235 WeakPolarHBondContact OD1-CE1 3.41Å; D224-Y235 PolarHBondContact OD1-OH 3.19Å; D224-Y235 PolarHBondContact OD2-OH 2.67Å
225D98.8Very high98.7Very high129 Ų12972.5 Ų72.569%0.6938%0.384SS*.Hα-helixtrans-75.6-21.4-174.6-71.1-20.4000113.5A221A221-D225 VanDerWaalsContact O-CB 3.28Å; A221-D225 WeakPolarHBondContact O-CB 3.45Å; A221-D225 PolarHBondContact O-N 3.17Å
226N98.8Very high98.7Very high69 Ų6971.5 Ų71.537%0.36938%0.376SS..THydrogen-bonded Turntrans-111.912.1-176.1-59.1-87000114.2L119 L222 D224 L228L119-N226 HydrophobicContact CD1-CB 3.57Å; L119-N226 HydrophobicContact CD2-CB 4.49Å; L222-N226 WeakPolarHBondContact O-CB 3.42Å; L222-N226 PolarHBondContact O-N 2.86Å; L222-N226 PolarHBondContact O-ND2 2.87Å; D224-N226 PolarHBondContact O-N 2.61Å; N226-L228 VanDerWaalsContact C-N 3.3Å; N226-L228 HydrophobicContact CB-CD2 4.46Å; N226-L228 HydrophobicContact CB-CG 4.15Å; N226-L228 PolarHBondContact O-N 3Å
227H98.3Very high98.7Very high172 Ų17271 Ų7180%0.79637%0.373SS*.THydrogen-bonded Turntrans54.841.2179.6-51-50.5000113.5I223I223-H227 PolarHBondContact O-N 2.85Å
228L98.9Very high98.7Very high6 Ų665 Ų653%0.03134%0.34CS..  trans-80.3-23-179.2-60.7-177000113.4R115 I116 L119 L222 I223 N226 P230 I240 F241R115-L228 HydrophobicContact CB-CD2 3.77Å; I116-L228 HydrophobicContact CD1-CD1 4.47Å; L119-L228 HydrophobicContact CD1-CD1 3.94Å; L119-L228 HydrophobicContact CD1-CD2 3.84Å; L119-L228 HydrophobicContact CD1-CG 4.21Å; L222-L228 HydrophobicContact CD2-CD1 4.5Å; L222-L228 HydrophobicContact CG-CD1 4.14Å; I223-L228 HydrophobicContact CG2-CB 4.35Å; I223-L228 PolarHBondContact O-N 2.84Å; I223-L228 VanDerWaalsContact O-N 3.12Å; N226-L228 VanDerWaalsContact C-N 3.3Å; N226-L228 HydrophobicContact CB-CD2 4.46Å; N226-L228 HydrophobicContact CB-CG 4.15Å; N226-L228 PolarHBondContact O-N 3Å; L228-P230 WeakPolarHBondContact O-CD 3.25Å; L228-I240 HydrophobicContact CB-CG2 3.88Å; L228-F241 HydrophobicContact CD1-CE1 3.77Å
229N98.8Very high98.7Very high43 Ų4363.7 Ų63.723%0.2333%0.331CS..  trans-75.1117.1-177.4-161-10.3000111.8I223 D231 G234 I240I223-N229 HydrophobicContact CG2-CB 3.82Å; N229-D231 PolarHBondContact OD1-N 2.7Å; N229-D231 VanDerWaalsContact OD1-N 3.08Å; N229-G234 PolarHBondContact ND2-O 2.8Å; N229-I240 HydrophobicContact CB-CG1 4.48Å
230P98.7Very high98.7Very high73 Ų7363.7 Ų63.747%0.47433%0.331SS..  trans-84-18.5175.835.8-35.3000112.9L228 H239L228-P230 WeakPolarHBondContact O-CD 3.25Å; P230-H239 HydrophobicContact CG-CB 3.79Å
231D98.8Very high98.7Very high59 Ų5960 Ų6032%0.31632%0.315SS..SBendtrans-87152.1-175.7-62-56000111.2N229 H239N229-D231 PolarHBondContact OD1-N 2.7Å; N229-D231 VanDerWaalsContact OD1-N 3.08Å; D231-H239 IonicContact OD1-ND1 3.38Å; D231-H239 PolarHBondContact OD1-ND1 2.9Å; D231-H239 WeakPolarHBondContact OD2-CB 3.42Å; D231-H239 IonicContact OD2-CE1 3.49Å; D231-H239 IonicContact OD2-CG 3.35Å; D231-H239 IonicContact OD2-ND1 2.82Å; D231-H239 PolarHBondContact OD2-ND1 2.85Å
232F98.4Very high98.7Very high215 Ų21558 Ų5894%0.94330%0.299SS*.SBendtrans-74.9-30.4-178.5-62.5-65.5000113.3
233E98Very high98.7Very high179 Ų17958 Ų5884%0.83630%0.3SS*.SBendtrans-146.5152.8-177.3-64.5-174.8179.100108.9
234G98.3Very high98.7Very high49 Ų4961.7 Ų61.751%0.50533%0.327SS..SBendtrans77-177.2-17800000114.3N229N229-G234 PolarHBondContact ND2-O 2.8Å
235Y98.9Very high98.7Very high51 Ų5160.7 Ų60.720%0.233%0.325CS..  trans-136.6101.9178.8-68-87.3000109.4F206 F208 K220 I223 D224 I240F206-Y235 PolarHBondContact N-O 3.16Å; F208-Y235 HydrophobicContact CD2-CD2 4.32Å; F208-Y235 HydrophobicContact CD2-CG 4.44Å; F208-Y235 AromaticContact CE2-CD1 3.93Å; F208-Y235 HydrophobicContact CE2-CD1 3.93Å; F208-Y235 AromaticContact CE2-CD2 3.99Å; F208-Y235 HydrophobicContact CE2-CD2 3.99Å; F208-Y235 HydrophobicContact CE2-CE1 4.44Å; F208-Y235 AromaticContact CE2-CG 3.69Å; F208-Y235 HydrophobicContact CE2-CG 3.69Å; K220-Y235 WeakPolarHBondContact CE-OH 3.24Å; K220-Y235 PolarHBondContact NZ-OH 2.93Å; I223-Y235 HydrophobicContact CB-CE1 4.48Å; I223-Y235 HydrophobicContact CD1-CD1 4.22Å; I223-Y235 HydrophobicContact CG2-CD1 4.06Å; I223-Y235 HydrophobicContact CG2-CE1 3.87Å; D224-Y235 VanDerWaalsContact CG-OH 3.29Å; D224-Y235 VanDerWaalsContact OD1-CE1 3.31Å; D224-Y235 WeakPolarHBondContact OD1-CE1 3.41Å; D224-Y235 PolarHBondContact OD1-OH 3.19Å; D224-Y235 PolarHBondContact OD2-OH 2.67Å; Y235-I240 HydrophobicContact CD1-CD1 4.1Å
236N98.9Very high98.7Very high10 Ų1061.5 Ų61.55%0.05333%0.327CS..BIsolated β-bridgetrans-102.7105176.5-170.3-69.4000109.9D204 D205 R238 H239 I240D204-N236 WeakPolarHBondContact CA-ND2 3.3Å; D204-N236 WeakPolarHBondContact CB-ND2 3.49Å; D204-N236 CarbonylContact O-C 3.56Å; D204-N236 VanDerWaalsContact O-CA 3.25Å; D204-N236 WeakPolarHBondContact O-CA 3.42Å; D205-N236 PolarHBondContact OD1-ND2 3.2Å; N236-R238 PolarHBondContact O-N 3.09Å; N236-R238 WeakPolarHBondContact OD1-CG 3.4Å; N236-H239 HydrophobicContact CB-CB 4.06Å; N236-H239 WeakPolarHBondContact O-CB 3.29Å; N236-H239 PolarHBondContact O-N 3.29Å; N236-H239 VanDerWaalsContact O-N 3.07Å; N236-H239 PolarHBondContact OD1-CD2 3.02Å; N236-H239 VanDerWaalsContact OD1-CG 3.26Å; N236-H239 PolarHBondContact OD1-N 3.28Å; N236-I240 WeakPolarHBondContact O-CD1 3.3Å; N236-I240 WeakPolarHBondContact O-CG1 3.33Å; N236-I240 PolarHBondContact O-N 3.16Å
237L98.9Very high98.7Very high0 Ų064.2 Ų64.20%034%0.336CS..Hα-helixtrans-65.5-36.9-164.5-60.6-164.1000113A185 M201 I203 D204 F206 I223 H239 I240 F241A185-L237 HydrophobicContact CB-CD1 3.36Å; M201-L237 HydrophobicContact CE-CB 3.84Å; I203-L237 HydrophobicContact CB-CB 4.39Å; I203-L237 HydrophobicContact CG2-CB 4.11Å; I203-L237 HydrophobicContact CG2-CD1 3.93Å; I203-L237 HydrophobicContact CG2-CG 4.09Å; D204-L237 PolarHBondContact O-N 2.85Å; F206-L237 HydrophobicContact CB-CD1 4.02Å; F206-L237 HydrophobicContact CB-CD2 3.95Å; F206-L237 HydrophobicContact CB-CG 3.63Å; F206-L237 HydrophobicContact CD1-CD1 4.18Å; F206-L237 HydrophobicContact CD1-CD2 4.38Å; F206-L237 HydrophobicContact CD1-CG 4.49Å; F206-L237 HydrophobicContact CD2-CD1 3.61Å; F206-L237 HydrophobicContact CD2-CG 4.19Å; F206-L237 HydrophobicContact CE2-CD1 4.03Å; F206-L237 HydrophobicContact CG-CD1 3.68Å; F206-L237 HydrophobicContact CG-CD2 4.21Å; F206-L237 HydrophobicContact CG-CG 3.88Å; F206-L237 HydrophobicContact CZ-CD1 4.48Å; I223-L237 HydrophobicContact CD1-CD2 4.5Å; L237-H239 VanDerWaalsContact C-N 3.34Å; L237-H239 PolarHBondContact O-N 2.8Å; L237-I240 HydrophobicContact CD2-CD1 4.23Å; L237-I240 PolarHBondContact O-N 3.08Å; L237-F241 HydrophobicContact CB-CD2 4.31Å; L237-F241 HydrophobicContact CD2-CD2 4.39Å; L237-F241 HydrophobicContact CD2-CE2 4.14Å; L237-F241 WeakPolarHBondContact O-CB 3.41Å; L237-F241 PolarHBondContact O-N 2.78Å
238R98.9Very high98.7Very high15 Ų1556.2 Ų56.26%0.05730%0.299CS..Hα-helixtrans-69.5-2617566.9174.6-173.3-152.42.5113.7M201 N202 I203 N236 G242 D275 L276M201-R238 HydrophobicContact CB-CB 4.23Å; M201-R238 HydrophobicContact CG-CB 4.16Å; M201-R238 WeakPolarHBondContact O-CB 3.5Å; N202-R238 PolarHBondContact O-NH1 3.02Å; I203-R238 WeakPolarHBondContact O-CB 3.31Å; I203-R238 WeakPolarHBondContact O-CG 3.38Å; I203-R238 PolarHBondContact O-N 2.86Å; N236-R238 PolarHBondContact O-N 3.09Å; N236-R238 WeakPolarHBondContact OD1-CG 3.4Å; R238-G242 CarbonylContact O-C 3.53Å; R238-G242 VanDerWaalsContact O-C 3.29Å; R238-G242 WeakPolarHBondContact O-CA 3.48Å; R238-G242 PolarHBondContact O-N 2.85Å; R238-D275 VanDerWaalsContact NH2-C 3.28Å; R238-D275 VanDerWaalsContact NH2-CA 3.34Å; R238-D275 PolarHBondContact NH2-O 2.72Å; R238-L276 VanDerWaalsContact CZ-O 3.29Å; R238-L276 PolarHBondContact NH1-O 2.83Å; R238-L276 PolarHBondContact NH2-O 2.92Å
239H98.9Very high98.7Very high53 Ų5357 Ų5725%0.24530%0.304CS..Hα-helixtrans-71.1-43.4169.8-64.8-179.5000111.2R115 P230 D231 N236 L237 D275R115-H239 PolarHBondContact NH2-O 3.14Å; P230-H239 HydrophobicContact CG-CB 3.79Å; D231-H239 IonicContact OD1-ND1 3.38Å; D231-H239 PolarHBondContact OD1-ND1 2.9Å; D231-H239 WeakPolarHBondContact OD2-CB 3.42Å; D231-H239 IonicContact OD2-CE1 3.49Å; D231-H239 IonicContact OD2-CG 3.35Å; D231-H239 IonicContact OD2-ND1 2.82Å; D231-H239 PolarHBondContact OD2-ND1 2.85Å; N236-H239 HydrophobicContact CB-CB 4.06Å; N236-H239 WeakPolarHBondContact O-CB 3.29Å; N236-H239 PolarHBondContact O-N 3.29Å; N236-H239 VanDerWaalsContact O-N 3.07Å; N236-H239 PolarHBondContact OD1-CD2 3.02Å; N236-H239 VanDerWaalsContact OD1-CG 3.26Å; N236-H239 PolarHBondContact OD1-N 3.28Å; L237-H239 VanDerWaalsContact C-N 3.34Å; L237-H239 PolarHBondContact O-N 2.8Å; H239-D275 IonicContact NE2-OD1 2.68Å; H239-D275 PolarHBondContact NE2-OD1 3.09Å
240I98.9Very high98.7Very high0 Ų056.2 Ų56.20%030%0.301CS..Hα-helixtrans-68.6-54.8-176.6-63166.2000110.9N113 R115 I223 L228 N229 Y235 N236 L237N113-I240 PolarHBondContact ND2-O 2.94Å; R115-I240 PolarHBondContact NH2-O 3.29Å; I223-I240 HydrophobicContact CD1-CD1 4.21Å; I223-I240 HydrophobicContact CD1-CG2 4.36Å; I223-I240 HydrophobicContact CG1-CG2 3.97Å; I223-I240 HydrophobicContact CG2-CD1 4.24Å; I223-I240 HydrophobicContact CG2-CG2 4.2Å; L228-I240 HydrophobicContact CB-CG2 3.88Å; N229-I240 HydrophobicContact CB-CG1 4.48Å; Y235-I240 HydrophobicContact CD1-CD1 4.1Å; N236-I240 WeakPolarHBondContact O-CD1 3.3Å; N236-I240 WeakPolarHBondContact O-CG1 3.33Å; N236-I240 PolarHBondContact O-N 3.16Å; L237-I240 HydrophobicContact CD2-CD1 4.23Å; L237-I240 PolarHBondContact O-N 3.08Å
241F98.9Very high98.7Very high2 Ų255.4 Ų55.41%0.00929%0.289CS..THydrogen-bonded Turntrans-110.1-24.9-168.9-58.9-61.4000114.5T112 N113 I116 I179 M201 L219 L222 I223 L228 L237T112-F241 CarbonylContact C-O 3.6Å; T112-F241 VanDerWaalsContact CA-O 3.3Å; T112-F241 WeakPolarHBondContact CA-O 3.4Å; N113-F241 PolarHBondContact N-O 2.97Å; N113-F241 VanDerWaalsContact ND2-CA 3.34Å; N113-F241 WeakPolarHBondContact ND2-CA 3.19Å; N113-F241 PolarHBondContact ND2-O 3.41Å; I116-F241 HydrophobicContact CB-CD1 3.86Å; I116-F241 HydrophobicContact CB-CE1 4.43Å; I116-F241 HydrophobicContact CD1-CD1 4.12Å; I116-F241 HydrophobicContact CD1-CE1 3.93Å; I116-F241 HydrophobicContact CG1-CD1 3.83Å; I116-F241 HydrophobicContact CG1-CE1 4.18Å; I116-F241 HydrophobicContact CG2-CD1 4.25Å; I179-F241 HydrophobicContact CD1-CD2 3.79Å; I179-F241 HydrophobicContact CD1-CE2 3.98Å; I179-F241 HydrophobicContact CD1-CG 4.39Å; I179-F241 HydrophobicContact CG1-CD2 4.39Å; I179-F241 HydrophobicContact CG2-CB 4.08Å; I179-F241 HydrophobicContact CG2-CD1 3.54Å; I179-F241 HydrophobicContact CG2-CD2 4.01Å; I179-F241 HydrophobicContact CG2-CE1 3.82Å; I179-F241 HydrophobicContact CG2-CE2 4.25Å; I179-F241 HydrophobicContact CG2-CG 3.63Å; I179-F241 HydrophobicContact CG2-CZ 4.15Å; M201-F241 HydrophobicContact CE-CB 4.02Å; M201-F241 HydrophobicContact CE-CD2 4.35Å; M201-F241 HydrophobicContact SD-CB 3.65Å; L219-F241 HydrophobicContact CD1-CE1 4.4Å; L219-F241 HydrophobicContact CD1-CE2 3.77Å; L219-F241 HydrophobicContact CD1-CZ 3.48Å; L219-F241 VanDerWaalsContact CD1-CZ 3.48Å; L219-F241 HydrophobicContact CD2-CE2 4.32Å; L219-F241 HydrophobicContact CG-CE2 4.17Å; L219-F241 HydrophobicContact CG-CZ 4.13Å; L222-F241 HydrophobicContact CD2-CE1 4.33Å; I223-F241 HydrophobicContact CD1-CE2 3.78Å; I223-F241 HydrophobicContact CD1-CZ 3.68Å; I223-F241 HydrophobicContact CG1-CE1 4.18Å; I223-F241 HydrophobicContact CG1-CE2 4Å; I223-F241 HydrophobicContact CG1-CZ 3.39Å; L228-F241 HydrophobicContact CD1-CE1 3.77Å; L237-F241 HydrophobicContact CB-CD2 4.31Å; L237-F241 HydrophobicContact CD2-CD2 4.39Å; L237-F241 HydrophobicContact CD2-CE2 4.14Å; L237-F241 WeakPolarHBondContact O-CB 3.41Å; L237-F241 PolarHBondContact O-N 2.78Å
242G98.8Very high98.7Very high4 Ų452.8 Ų52.84%0.04128%0.275CS..SBendtrans-87.4-152.9-176.200000114.7N113 M201 R238N113-G242 WeakPolarHBondContact CB-O 3.18Å; N113-G242 PolarHBondContact ND2-O 3.15Å; N113-G242 VanDerWaalsContact ND2-O 3.13Å; M201-G242 PolarHBondContact SD-N 3.41Å; M201-G242 VanDerWaalsContact SD-N 3.39Å; R238-G242 CarbonylContact O-C 3.53Å; R238-G242 VanDerWaalsContact O-C 3.29Å; R238-G242 WeakPolarHBondContact O-CA 3.48Å; R238-G242 PolarHBondContact O-N 2.85Å
243S98.9Very high98.7Very high23 Ų2342.7 Ų42.716%0.16123%0.23CC..  trans-128.3156.5-179.367.80000113.3T111 R200 D248T111-S243 WeakPolarHBondContact CB-OG 3.5Å; T111-S243 WeakPolarHBondContact CG2-OG 3.48Å; T111-S243 PolarHBondContact OG1-OG 3.03Å; R200-S243 PolarHBondContact NE-O 3.06Å; R200-S243 PolarHBondContact NH2-O 3.43Å; S243-D248 WeakPolarHBondContact CB-OD2 3.27Å; S243-D248 PolarHBondContact OG-OD1 3.27Å; S243-D248 PolarHBondContact OG-OD2 3.16Å
244S98.7Very high98.7Very high79 Ų7934.2 Ų34.255%0.55219%0.191SC*.  trans-141.467.5167.1-175.50000107.6Q274S244-Q274 WeakPolarHBondContact OG-CB 3.33Å; S244-Q274 WeakPolarHBondContact OG-CG 3.07Å
245S98.7Very high98.8Very high44 Ų4431.9 Ų31.931%0.30817%0.167SC..  trans-102.1163.5-168.978.10000112.8K247 D248 Q274S245-K247 PolarHBondContact O-N 2.94Å; S245-K247 PolarHBondContact OG-N 2.85Å; S245-D248 WeakPolarHBondContact CA-OD2 3.32Å; S245-D248 VanDerWaalsContact CB-OD2 3.25Å; S245-D248 WeakPolarHBondContact CB-OD2 3.35Å; S245-D248 PolarHBondContact N-OD2 2.97Å; S245-D248 WeakPolarHBondContact O-CB 3.34Å; S245-D248 PolarHBondContact O-N 2.99Å; S245-D248 VanDerWaalsContact O-N 3.11Å; S245-D248 VanDerWaalsContact OG-CG 3.28Å; S245-D248 PolarHBondContact OG-N 2.94Å; S245-D248 PolarHBondContact OG-OD2 2.96Å; S245-Q274 PolarHBondContact O-NE2 2.88Å
246I98.6Very high98.8Very high146 Ų14629.8 Ų29.875%0.74916%0.16SC*.THydrogen-bonded Turntrans-61.9-23.4170.9-56.3-60.7000112T249I246-T249 PolarHBondContact O-OG1 2.87Å
247K98.5Very high98.8Very high126 Ų12630.2 Ų30.255%0.54816%0.161SC..THydrogen-bonded Turntrans-76.7-32.5175.8-173.755.8175.8170.20111.4S245 T249 V250 Y251S245-K247 PolarHBondContact O-N 2.94Å; S245-K247 PolarHBondContact OG-N 2.85Å; K247-T249 VanDerWaalsContact C-N 3.32Å; K247-T249 PolarHBondContact O-N 3.47Å; K247-V250 HydrophobicContact CD-CG2 4.22Å; K247-V250 WeakPolarHBondContact O-CG2 3.33Å; K247-V250 PolarHBondContact O-N 3.29Å; K247-Y251 WeakPolarHBondContact O-CB 3.5Å; K247-Y251 PolarHBondContact O-N 3.07Å
248D98.8Very high98.8Very high3 Ų331 Ų312%0.01616%0.164CC..Hα-helixtrans-61.4-40.5178.4-66.8-55000111.7S243 S245 V250 Y251 N252 N253S243-D248 WeakPolarHBondContact CB-OD2 3.27Å; S243-D248 PolarHBondContact OG-OD1 3.27Å; S243-D248 PolarHBondContact OG-OD2 3.16Å; S245-D248 WeakPolarHBondContact CA-OD2 3.32Å; S245-D248 VanDerWaalsContact CB-OD2 3.25Å; S245-D248 WeakPolarHBondContact CB-OD2 3.35Å; S245-D248 PolarHBondContact N-OD2 2.97Å; S245-D248 WeakPolarHBondContact O-CB 3.34Å; S245-D248 PolarHBondContact O-N 2.99Å; S245-D248 VanDerWaalsContact O-N 3.11Å; S245-D248 VanDerWaalsContact OG-CG 3.28Å; S245-D248 PolarHBondContact OG-N 2.94Å; S245-D248 PolarHBondContact OG-OD2 2.96Å; D248-V250 PolarHBondContact O-N 3.02Å; D248-Y251 PolarHBondContact O-N 3.44Å; D248-N252 HydrophobicContact CB-CB 4.44Å; D248-N252 WeakPolarHBondContact O-CA 3.27Å; D248-N252 PolarHBondContact O-N 3.5Å; D248-N252 PolarHBondContact OD1-ND2 2.95Å; D248-N253 PolarHBondContact O-N 3.47Å
249T98.7Very high98.7Very high22 Ų2230.3 Ų30.314%0.13516%0.161CC..Hα-helixtrans-61.8-15.9-179.568.40000115I246 K247 P254 M272 Q274I246-T249 PolarHBondContact O-OG1 2.87Å; K247-T249 VanDerWaalsContact C-N 3.32Å; K247-T249 PolarHBondContact O-N 3.47Å; T249-P254 WeakPolarHBondContact O-CD 3.43Å; T249-P254 VanDerWaalsContact O-CG 3.23Å; T249-P254 WeakPolarHBondContact O-CG 3.47Å; T249-M272 HydrophobicContact CG2-CB 4.28Å; T249-Q274 VanDerWaalsContact CG2-NE2 3.32Å
250V98.5Very high98.7Very high27 Ų2727.9 Ų27.916%0.16415%0.15CC..Hα-helixtrans-125.3-18.3-178.9-64.50000113.9K247 D248 L317 I318 R319K247-V250 HydrophobicContact CD-CG2 4.22Å; K247-V250 WeakPolarHBondContact O-CG2 3.33Å; K247-V250 PolarHBondContact O-N 3.29Å; D248-V250 PolarHBondContact O-N 3.02Å; V250-L317 HydrophobicContact CG1-CD1 3.87Å; V250-L317 HydrophobicContact CG1-CG 3.99Å; V250-I318 VanDerWaalsContact O-CA 3.31Å; V250-I318 WeakPolarHBondContact O-CA 3.36Å; V250-R319 PolarHBondContact O-N 2.67Å; V250-R319 VanDerWaalsContact O-N 3.08Å
251Y98.5Very high98.7Very high57 Ų5732 Ų3222%0.22417%0.168CC..Hα-helixtrans-105.6-26.6-179-161.4-102.7000113S16 N199 K247 D248 R255 R319 R325S16-Y251 WeakPolarHBondContact CB-OH 3.4Å; S16-Y251 PolarHBondContact OG-OH 3.49Å; N199-Y251 HydrophobicContact CB-CE1 4.23Å; K247-Y251 WeakPolarHBondContact O-CB 3.5Å; K247-Y251 PolarHBondContact O-N 3.07Å; D248-Y251 PolarHBondContact O-N 3.44Å; Y251-R255 VanDerWaalsContact O-CZ 3.26Å; Y251-R255 PolarHBondContact O-NE 3.26Å; Y251-R255 PolarHBondContact O-NH2 3.42Å; Y251-R319 HydrophobicContact CD2-CB 3.68Å; Y251-R319 HydrophobicContact CD2-CG 3.98Å; Y251-R319 HydrophobicContact CE2-CB 3.95Å; Y251-R319 HydrophobicContact CE2-CG 3.71Å; Y251-R319 HydrophobicContact CG-CB 4.36Å; Y251-R325 PolarHBondContact OH-NH2 3.1Å; Y251-R325 VanDerWaalsContact OH-NH2 3.09Å
252N98.8Very high98.7Very high4 Ų435.3 Ų35.32%0.02118%0.181CC..THydrogen-bonded Turntrans-123.8-66.9-167.9-69-31.8000112.3P198 N199 R200 D248 P254 R255P198-N252 HydrophobicContact CB-CB 4.07Å; P198-N252 HydrophobicContact CG-CB 3.94Å; P198-N252 WeakPolarHBondContact CG-O 3.37Å; N199-N252 WeakPolarHBondContact CA-OD1 3.14Å; N199-N252 WeakPolarHBondContact CB-OD1 3.46Å; N199-N252 PolarHBondContact N-OD1 2.73Å; N199-N252 PolarHBondContact O-ND2 2.93Å; N199-N252 PolarHBondContact O-OD1 3.1Å; R200-N252 HydrophobicContact CB-CB 3.91Å; D248-N252 HydrophobicContact CB-CB 4.44Å; D248-N252 WeakPolarHBondContact O-CA 3.27Å; D248-N252 PolarHBondContact O-N 3.5Å; D248-N252 PolarHBondContact OD1-ND2 2.95Å; N252-P254 VanDerWaalsContact C-CD 3.42Å; N252-P254 VanDerWaalsContact C-N 3.3Å; N252-P254 VanDerWaalsContact O-N 3.15Å; N252-R255 WeakPolarHBondContact O-CB 3.47Å; N252-R255 PolarHBondContact O-N 3.27Å; N252-R255 PolarHBondContact OD1-NH2 2.78Å
253N98.8Very high98.7Very high3 Ų335.1 Ų35.12%0.01618%0.179CC..Hα-helixtrans-52.9-40.1-171.7-53.3-5.5000113R200 D248 R255 A256 W257 P271 M272 D273 Q274 L276R200-N253 WeakPolarHBondContact CD-OD1 3.44Å; R200-N253 PolarHBondContact NH1-OD1 3.15Å; D248-N253 PolarHBondContact O-N 3.47Å; N253-R255 PolarHBondContact O-N 3.09Å; N253-R255 VanDerWaalsContact O-N 3.16Å; N253-A256 PolarHBondContact O-N 3.09Å; N253-W257 WeakPolarHBondContact O-CB 3.38Å; N253-W257 PolarHBondContact O-N 2.64Å; N253-P271 CarbonylContact C-O 3.52Å; N253-P271 WeakPolarHBondContact CB-O 3.4Å; N253-M272 PolarHBondContact ND2-O 2.89Å; N253-M272 VanDerWaalsContact ND2-O 3.09Å; N253-D273 VanDerWaalsContact CB-O 3.27Å; N253-D273 WeakPolarHBondContact CB-O 3.19Å; N253-D273 PolarHBondContact ND2-O 3Å; N253-Q274 VanDerWaalsContact ND2-CD 3.32Å; N253-Q274 PolarHBondContact ND2-OE1 3.04Å; N253-L276 HydrophobicContact CB-CD1 4.36Å; N253-L276 WeakPolarHBondContact O-CD1 3.49Å
254P98.8Very high98.7Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-62.7-26.5178.9-28.538.1000114.7T249 N252 Y258 P271 F299 I318T249-P254 WeakPolarHBondContact O-CD 3.43Å; T249-P254 VanDerWaalsContact O-CG 3.23Å; T249-P254 WeakPolarHBondContact O-CG 3.47Å; N252-P254 VanDerWaalsContact C-CD 3.42Å; N252-P254 VanDerWaalsContact C-N 3.3Å; N252-P254 VanDerWaalsContact O-N 3.15Å; P254-Y258 WeakPolarHBondContact O-CB 3.26Å; P254-Y258 PolarHBondContact O-N 2.85Å; P254-P271 VanDerWaalsContact CA-O 3.24Å; P254-P271 WeakPolarHBondContact CA-O 3.29Å; P254-P271 HydrophobicContact CB-CB 4.18Å; P254-P271 WeakPolarHBondContact CD-O 3.4Å; P254-P271 HydrophobicContact CG-CB 4.24Å; P254-P271 VanDerWaalsContact CG-O 3.24Å; P254-P271 WeakPolarHBondContact CG-O 3.41Å; P254-F299 HydrophobicContact CB-CE1 4.18Å; P254-F299 HydrophobicContact CB-CZ 4.2Å; P254-F299 WeakPolarHBondContact O-CE1 3.49Å; P254-I318 HydrophobicContact CB-CD1 3.89Å; P254-I318 HydrophobicContact CB-CG1 4.48Å; P254-I318 HydrophobicContact CB-CG2 3.34Å; P254-I318 HydrophobicContact CG-CD1 3.81Å; P254-I318 HydrophobicContact CG-CG1 4.19Å; P254-I318 HydrophobicContact CG-CG2 3.63Å
255R98.9Very high98.6Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-76.4-43.8178.7-63.7-173.3-75.5153.6-6.2111.4C17 T18 P198 N199 Y251 N252 N253 Y258 G259 F299 R319 I321C17-R255 PolarHBondContact O-NH1 2.91Å; T18-R255 HydrophobicContact CG2-CB 4.47Å; T18-R255 PolarHBondContact OG1-NH1 3.19Å; P198-R255 HydrophobicContact CB-CB 4.25Å; N199-R255 PolarHBondContact OD1-NH2 2.77Å; Y251-R255 VanDerWaalsContact O-CZ 3.26Å; Y251-R255 PolarHBondContact O-NE 3.26Å; Y251-R255 PolarHBondContact O-NH2 3.42Å; N252-R255 WeakPolarHBondContact O-CB 3.47Å; N252-R255 PolarHBondContact O-N 3.27Å; N252-R255 PolarHBondContact OD1-NH2 2.78Å; N253-R255 PolarHBondContact O-N 3.09Å; N253-R255 VanDerWaalsContact O-N 3.16Å; R255-Y258 PolarHBondContact O-N 3.32Å; R255-G259 PolarHBondContact O-N 2.97Å; R255-F299 HydrophobicContact CG-CZ 4.15Å; R255-R319 WeakPolarHBondContact CG-O 3.29Å; R255-R319 VanDerWaalsContact NH1-CZ 3.32Å; R255-I321 HydrophobicContact CB-CD1 3.95Å; R255-I321 HydrophobicContact CB-CG1 3.74Å; R255-I321 HydrophobicContact CG-CD1 4.33Å; R255-I321 HydrophobicContact CG-CG1 3.61Å
256A98.8Very high98.6Very high8 Ų837.3 Ų37.37%0.06618%0.18CC..Hα-helixtrans-57.3-51.6168.800000110.3P198 N253 Y258 G259 Q260 L276P198-A256 HydrophobicContact CG-CB 4.25Å; N253-A256 PolarHBondContact O-N 3.09Å; A256-Y258 PolarHBondContact O-N 3.02Å; A256-G259 PolarHBondContact O-N 3.37Å; A256-Q260 WeakPolarHBondContact O-CB 3.4Å; A256-Q260 VanDerWaalsContact O-CG 3.27Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.89Å; A256-L276 HydrophobicContact CB-CD1 3.91Å
257W98.8Very high98.5Very high18 Ų1833.7 Ų33.77%0.06817%0.165CC..Hα-helixtrans-53.3-48.117716982.8000113.4N253 Q260 K261 Q269 P271 L276 F299 T302N253-W257 WeakPolarHBondContact O-CB 3.38Å; N253-W257 PolarHBondContact O-N 2.64Å; W257-Q260 PolarHBondContact O-N 3.27Å; W257-K261 HydrophobicContact CH2-CD 4.02Å; W257-K261 HydrophobicContact CZ2-CD 3.66Å; W257-K261 VanDerWaalsContact O-CB 3.24Å; W257-K261 WeakPolarHBondContact O-CB 3.31Å; W257-K261 PolarHBondContact O-N 2.82Å; W257-Q269 PolarHBondContact NE1-O 3.33Å; W257-P271 HydrophobicContact CD2-CB 3.9Å; W257-P271 HydrophobicContact CD2-CG 3.78Å; W257-P271 HydrophobicContact CE3-CB 3.9Å; W257-P271 HydrophobicContact CE3-CG 3.89Å; W257-P271 HydrophobicContact CG-CB 4.25Å; W257-P271 HydrophobicContact CG-CG 4.43Å; W257-P271 HydrophobicContact CH2-CG 3.87Å; W257-P271 HydrophobicContact CZ2-CG 3.74Å; W257-P271 HydrophobicContact CZ3-CB 4.32Å; W257-P271 HydrophobicContact CZ3-CG 3.93Å; W257-L276 HydrophobicContact CB-CD1 3.94Å; W257-F299 HydrophobicContact CZ3-CD1 4.5Å; W257-T302 HydrophobicContact CH2-CG2 4.02Å; W257-T302 HydrophobicContact CZ3-CG2 4.41Å
258Y98.8Very high98.3Very high17 Ų1737 Ų377%0.06718%0.182CC..Hα-helixtrans-69.9-40.5-174.9-169.2-100.7000112.1P254 R255 A256 K261 Y262 F293 S297 F299 E300 T302P254-Y258 WeakPolarHBondContact O-CB 3.26Å; P254-Y258 PolarHBondContact O-N 2.85Å; R255-Y258 PolarHBondContact O-N 3.32Å; A256-Y258 PolarHBondContact O-N 3.02Å; Y258-K261 PolarHBondContact O-N 2.78Å; Y258-Y262 PolarHBondContact O-N 3.45Å; Y258-Y262 VanDerWaalsContact O-N 3.09Å; Y258-F293 HydrophobicContact CE1-CE1 4.43Å; Y258-S297 WeakPolarHBondContact CD1-OG 3.36Å; Y258-S297 VanDerWaalsContact CE1-CB 3.42Å; Y258-S297 WeakPolarHBondContact CE1-OG 3.36Å; Y258-F299 HydrophobicContact CD1-CD1 4.39Å; Y258-F299 HydrophobicContact CD2-CB 4.37Å; Y258-F299 AromaticContact CD2-CD1 3.88Å; Y258-F299 HydrophobicContact CD2-CD1 3.88Å; Y258-F299 HydrophobicContact CE2-CB 4.39Å; Y258-F299 AromaticContact CG-CD1 3.73Å; Y258-F299 HydrophobicContact CG-CD1 3.73Å; Y258-F299 HydrophobicContact CG-CE1 4.32Å; Y258-E300 WeakPolarHBondContact OH-CB 3.44Å; Y258-E300 PolarHBondContact OH-N 3.37Å; Y258-E300 VanDerWaalsContact OH-N 3.1Å; Y258-E300 PolarHBondContact OH-O 2.99Å; Y258-E300 PolarHBondContact OH-OE2 3.41Å; Y258-T302 HydrophobicContact CE2-CG2 4.19Å
259G98.8Very high98.2Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-63.6-42.4171.600000112.3R255 A256 Y262 F263R255-G259 PolarHBondContact O-N 2.97Å; A256-G259 PolarHBondContact O-N 3.37Å; G259-Y262 PolarHBondContact O-N 2.92Å; G259-F263 WeakPolarHBondContact O-CD2 3Å; G259-F263 PolarHBondContact O-N 3.38Å
260Q98.8Very high98.2Very high2 Ų242.1 Ų42.11%0.00921%0.207CC..Hα-helixtrans-62.3-48.2174.8-72.6-179.219.600111.4Y194 A256 W257 Y262 F263 T264 P277 C280Y194-Q260 HydrophobicContact CE2-CG 4.47Å; Y194-Q260 WeakPolarHBondContact OH-CA 3.34Å; A256-Q260 WeakPolarHBondContact O-CB 3.4Å; A256-Q260 VanDerWaalsContact O-CG 3.27Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.89Å; W257-Q260 PolarHBondContact O-N 3.27Å; Q260-Y262 PolarHBondContact O-N 2.93Å; Q260-Y262 VanDerWaalsContact O-N 3.15Å; Q260-F263 PolarHBondContact O-N 2.79Å; Q260-T264 WeakPolarHBondContact O-CA 3.42Å; Q260-T264 PolarHBondContact O-N 2.61Å; Q260-T264 PolarHBondContact O-OG1 2.81Å; Q260-P277 PolarHBondContact NE2-O 3.01Å; Q260-C280 PolarHBondContact NE2-SG 2.82Å
261K98.6Very high98.1Very high88 Ų8841.4 Ų41.438%0.38320%0.203SC..Hα-helixtrans-56.5-31.5175.3-176.4-177.5175.5-167.80113.4W257 Y258 P265W257-K261 HydrophobicContact CH2-CD 4.02Å; W257-K261 HydrophobicContact CZ2-CD 3.66Å; W257-K261 VanDerWaalsContact O-CB 3.24Å; W257-K261 WeakPolarHBondContact O-CB 3.31Å; W257-K261 PolarHBondContact O-N 2.82Å; Y258-K261 PolarHBondContact O-N 2.78Å; K261-P265 WeakPolarHBondContact O-CA 3.18Å; K261-P265 WeakPolarHBondContact O-CB 3.18Å; K261-P265 WeakPolarHBondContact O-CD 3.41Å
262Y98.7Very high98.1Very high71 Ų7141.8 Ų41.828%0.27821%0.208SC..Hα-helixtrans-74.1-31.5177-177.6-104.1000113.7Y258 G259 Q260 R284 D290 F293 V294Y258-Y262 PolarHBondContact O-N 3.45Å; Y258-Y262 VanDerWaalsContact O-N 3.09Å; G259-Y262 PolarHBondContact O-N 2.92Å; Q260-Y262 PolarHBondContact O-N 2.93Å; Q260-Y262 VanDerWaalsContact O-N 3.15Å; Y262-R284 VanDerWaalsContact CZ-NH2 3.29Å; Y262-R284 PolarHBondContact O-NH1 2.81Å; Y262-R284 PolarHBondContact O-NH2 2.9Å; Y262-D290 HydrophobicContact CE1-CB 3.94Å; Y262-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y262-D290 WeakPolarHBondContact CE1-OD1 3.46Å; Y262-D290 PolarHBondContact OH-OD1 3.31Å; Y262-F293 HydrophobicContact CD1-CD1 4.24Å; Y262-F293 AromaticContact CD2-CD1 3.74Å; Y262-F293 HydrophobicContact CD2-CD1 3.74Å; Y262-F293 AromaticContact CD2-CE1 3.45Å; Y262-F293 HydrophobicContact CD2-CE1 3.45Å; Y262-F293 VanDerWaalsContact CD2-CE1 3.45Å; Y262-F293 AromaticContact CE1-CD1 3.9Å; Y262-F293 HydrophobicContact CE1-CD1 3.9Å; Y262-F293 AromaticContact CE2-CD1 3.37Å; Y262-F293 HydrophobicContact CE2-CD1 3.37Å; Y262-F293 AromaticContact CE2-CE1 3.38Å; Y262-F293 HydrophobicContact CE2-CE1 3.38Å; Y262-F293 HydrophobicContact CE2-CG 4.32Å; Y262-F293 HydrophobicContact CE2-CZ 4.32Å; Y262-F293 HydrophobicContact CG-CD1 4.15Å; Y262-F293 HydrophobicContact CG-CE1 4.1Å; Y262-F293 AromaticContact CZ-CD1 3.45Å; Y262-F293 VanDerWaalsContact CZ-CD1 3.45Å; Y262-F293 AromaticContact CZ-CE1 3.99Å; Y262-V294 HydrophobicContact CD1-CG2 3.53Å; Y262-V294 HydrophobicContact CE1-CG2 4.14Å; Y262-V294 HydrophobicContact CG-CG2 4.03Å
263F98.8Very high98.1Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-100.4-30.6-176.2-72.1-53.8000114.2Y194 G259 Q260 P265 A282 N283 I286 D290 V294Y194-F263 HydrophobicContact CD1-CB 4.44Å; Y194-F263 AromaticContact CD2-CD2 3.84Å; Y194-F263 HydrophobicContact CD2-CD2 3.84Å; Y194-F263 HydrophobicContact CD2-CE2 4.46Å; Y194-F263 HydrophobicContact CD2-CG 4.4Å; Y194-F263 HydrophobicContact CE1-CB 3.71Å; Y194-F263 HydrophobicContact CE1-CG 4.46Å; Y194-F263 HydrophobicContact CE2-CB 3.8Å; Y194-F263 AromaticContact CE2-CD2 3.57Å; Y194-F263 HydrophobicContact CE2-CD2 3.57Å; Y194-F263 HydrophobicContact CE2-CG 4.04Å; Y194-F263 WeakPolarHBondContact OH-CB 3.29Å; G259-F263 WeakPolarHBondContact O-CD2 3Å; G259-F263 PolarHBondContact O-N 3.38Å; Q260-F263 PolarHBondContact O-N 2.79Å; F263-P265 VanDerWaalsContact C-CD 3.42Å; F263-A282 HydrophobicContact CB-CB 3.96Å; F263-A282 HydrophobicContact CD1-CB 4.45Å; F263-A282 WeakPolarHBondContact O-CA 3.47Å; F263-N283 PolarHBondContact O-N 2.86Å; F263-I286 HydrophobicContact CD1-CD1 3.73Å; F263-I286 HydrophobicContact CD1-CG1 3.76Å; F263-I286 HydrophobicContact CD2-CD1 4.38Å; F263-I286 HydrophobicContact CE1-CB 4.17Å; F263-I286 HydrophobicContact CE1-CD1 3.69Å; F263-I286 HydrophobicContact CE1-CG1 3.6Å; F263-I286 HydrophobicContact CE1-CG2 3.69Å; F263-I286 HydrophobicContact CE2-CD1 4.34Å; F263-I286 HydrophobicContact CG-CD1 4.11Å; F263-I286 HydrophobicContact CZ-CD1 4.02Å; F263-I286 HydrophobicContact CZ-CG1 4.31Å; F263-I286 HydrophobicContact CZ-CG2 3.82Å; F263-D290 HydrophobicContact CE1-CB 3.73Å; F263-D290 HydrophobicContact CZ-CB 3.99Å; F263-V294 HydrophobicContact CE2-CG2 3.76Å; F263-V294 HydrophobicContact CZ-CG2 4.04Å
264T98.5Very high98.1Very high8 Ų845.7 Ų45.75%0.04923%0.228CC..  trans-129.957.9177.850.30000111.9Y194 Q260 E266 V267 R281Y194-T264 HydrophobicContact CE1-CG2 4.01Å; Y194-T264 PolarHBondContact OH-OG1 3.38Å; Y194-T264 VanDerWaalsContact OH-OG1 3.1Å; Q260-T264 WeakPolarHBondContact O-CA 3.42Å; Q260-T264 PolarHBondContact O-N 2.61Å; Q260-T264 PolarHBondContact O-OG1 2.81Å; T264-E266 VanDerWaalsContact CA-OE1 3.3Å; T264-E266 WeakPolarHBondContact CA-OE1 3.49Å; T264-E266 WeakPolarHBondContact CB-OE1 3.25Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 VanDerWaalsContact O-N 3.1Å; T264-V267 PolarHBondContact O-N 3.24Å; T264-V267 VanDerWaalsContact O-N 3.07Å; T264-R281 WeakPolarHBondContact CG2-O 3.2Å
265P97.7Very high98.1Very high73 Ų7350.1 Ų50.147%0.47425%0.252SS..THydrogen-bonded Turntrans-60.8-15.8-179.726-37.4000114.8K261 F263 V267 N283K261-P265 WeakPolarHBondContact O-CA 3.18Å; K261-P265 WeakPolarHBondContact O-CB 3.18Å; K261-P265 WeakPolarHBondContact O-CD 3.41Å; F263-P265 VanDerWaalsContact C-CD 3.42Å; P265-V267 VanDerWaalsContact C-N 3.25Å; P265-V267 PolarHBondContact O-N 2.9Å; P265-N283 VanDerWaalsContact CD-ND2 3.28Å; P265-N283 WeakPolarHBondContact CD-ND2 3.4Å; P265-N283 VanDerWaalsContact CG-ND2 3.27Å; P265-N283 WeakPolarHBondContact CG-ND2 3.29Å
266E97Very high98.1Very high110 Ų11050.4 Ų50.451%0.51425%0.253SS..THydrogen-bonded Turntrans-72.9-11.7173.664.5-74.5165.600114.5T264 N283T264-E266 VanDerWaalsContact CA-OE1 3.3Å; T264-E266 WeakPolarHBondContact CA-OE1 3.49Å; T264-E266 WeakPolarHBondContact CB-OE1 3.25Å; T264-E266 PolarHBondContact O-N 2.88Å; T264-E266 VanDerWaalsContact O-N 3.1Å; E266-N283 WeakPolarHBondContact OE2-CB 3.44Å; E266-N283 PolarHBondContact OE2-ND2 3.07Å
267V96.2Very high98.1Very high70 Ų7052.6 Ų52.642%0.42427%0.267SS..SBendtrans-98.5111.9174.8-170.30000109T264 P265 Q269T264-V267 PolarHBondContact O-N 3.24Å; T264-V267 VanDerWaalsContact O-N 3.07Å; P265-V267 VanDerWaalsContact C-N 3.25Å; P265-V267 PolarHBondContact O-N 2.9Å; V267-Q269 HydrophobicContact CB-CG 4.5Å; V267-Q269 HydrophobicContact CG1-CG 3.85Å; V267-Q269 PolarHBondContact O-N 3.3Å
268E95.6Very high98.1Very high197 Ų19752.1 Ų52.192%0.92127%0.265SS*.  trans-73.2126.1171.7-68.3-171.3165.100110.2
269Q96.3Very high98.1Very high39 Ų3953.1 Ų53.118%0.18227%0.271CS..  trans-141.5152.1-175.9-63.2177.5-44.100110.3W257 V267 L276W257-Q269 PolarHBondContact NE1-O 3.33Å; V267-Q269 HydrophobicContact CB-CG 4.5Å; V267-Q269 HydrophobicContact CG1-CG 3.85Å; V267-Q269 PolarHBondContact O-N 3.3Å; Q269-L276 HydrophobicContact CB-CD2 3.99Å; Q269-L276 HydrophobicContact CG-CD2 4.09Å
270D97.9Very high98.1Very high92 Ų9253.5 Ų53.549%0.49227%0.274SS..  trans-92.6138.2172.9-169.3-71.5000110.7M272 D273D270-M272 PolarHBondContact O-N 2.9Å; D270-M272 VanDerWaalsContact O-N 3.13Å; D270-M272 VanDerWaalsContact OD1-CB 3.31Å; D270-M272 WeakPolarHBondContact OD1-CB 3.48Å; D270-M272 PolarHBondContact OD1-N 2.99Å; D270-D273 HydrophobicContact CB-CB 4.36Å; D270-D273 VanDerWaalsContact O-CB 3.27Å; D270-D273 WeakPolarHBondContact O-CB 3.46Å; D270-D273 PolarHBondContact O-N 3.25Å; D270-D273 VanDerWaalsContact O-N 3.13Å
271P98Very high98.1Very high12 Ų1259.4 Ų59.48%0.07830%0.296CS..THydrogen-bonded Turntrans-55.5-29176.3-21.728.7000114.6N253 P254 W257 Y304N253-P271 CarbonylContact C-O 3.52Å; N253-P271 WeakPolarHBondContact CB-O 3.4Å; P254-P271 VanDerWaalsContact CA-O 3.24Å; P254-P271 WeakPolarHBondContact CA-O 3.29Å; P254-P271 HydrophobicContact CB-CB 4.18Å; P254-P271 WeakPolarHBondContact CD-O 3.4Å; P254-P271 HydrophobicContact CG-CB 4.24Å; P254-P271 VanDerWaalsContact CG-O 3.24Å; P254-P271 WeakPolarHBondContact CG-O 3.41Å; W257-P271 HydrophobicContact CD2-CB 3.9Å; W257-P271 HydrophobicContact CD2-CG 3.78Å; W257-P271 HydrophobicContact CE3-CB 3.9Å; W257-P271 HydrophobicContact CE3-CG 3.89Å; W257-P271 HydrophobicContact CG-CB 4.25Å; W257-P271 HydrophobicContact CG-CG 4.43Å; W257-P271 HydrophobicContact CH2-CG 3.87Å; W257-P271 HydrophobicContact CZ2-CG 3.74Å; W257-P271 HydrophobicContact CZ3-CB 4.32Å; W257-P271 HydrophobicContact CZ3-CG 3.93Å; P271-Y304 HydrophobicContact CG-CE2 3.96Å
272M98.5Very high98.1Very high66 Ų6656.4 Ų56.433%0.32529%0.288SS..THydrogen-bonded Turntrans-89.7-7-176.4-60.3-163.9177.700113.4T249 N253 D270 Q274 L317T249-M272 HydrophobicContact CG2-CB 4.28Å; N253-M272 PolarHBondContact ND2-O 2.89Å; N253-M272 VanDerWaalsContact ND2-O 3.09Å; D270-M272 PolarHBondContact O-N 2.9Å; D270-M272 VanDerWaalsContact O-N 3.13Å; D270-M272 VanDerWaalsContact OD1-CB 3.31Å; D270-M272 WeakPolarHBondContact OD1-CB 3.48Å; D270-M272 PolarHBondContact OD1-N 2.99Å; M272-Q274 PolarHBondContact O-N 3.12Å; M272-L317 HydrophobicContact CE-CD2 3.82Å
273D98.5Very high98.1Very high60 Ų6057.2 Ų57.232%0.32130%0.297SS..  trans-54.7127.6-173-169.5-8.1000111.7N253 D270 D275 L276N253-D273 VanDerWaalsContact CB-O 3.27Å; N253-D273 WeakPolarHBondContact CB-O 3.19Å; N253-D273 PolarHBondContact ND2-O 3Å; D270-D273 HydrophobicContact CB-CB 4.36Å; D270-D273 VanDerWaalsContact O-CB 3.27Å; D270-D273 WeakPolarHBondContact O-CB 3.46Å; D270-D273 PolarHBondContact O-N 3.25Å; D270-D273 VanDerWaalsContact O-N 3.13Å; D273-D275 VanDerWaalsContact C-N 3.33Å; D273-D275 PolarHBondContact OD1-N 3.46Å; D273-L276 HydrophobicContact CB-CD2 3.92Å; D273-L276 HydrophobicContact CB-CG 3.96Å
274Q98.6Very high98.1Very high29 Ų2961.5 Ų61.514%0.13631%0.313CS..SBendtrans-81.5-18.1-179.1-63.4-76.314.900111.7R200 S244 S245 T249 N253 M272R200-Q274 VanDerWaalsContact CZ-O 3.23Å; R200-Q274 PolarHBondContact NH1-O 3.31Å; R200-Q274 PolarHBondContact NH2-O 2.86Å; S244-Q274 WeakPolarHBondContact OG-CB 3.33Å; S244-Q274 WeakPolarHBondContact OG-CG 3.07Å; S245-Q274 PolarHBondContact O-NE2 2.88Å; T249-Q274 VanDerWaalsContact CG2-NE2 3.32Å; N253-Q274 VanDerWaalsContact ND2-CD 3.32Å; N253-Q274 PolarHBondContact ND2-OE1 3.04Å; M272-Q274 PolarHBondContact O-N 3.12Å
275D98.6Very high98.1Very high93 Ų9366.2 Ų66.250%0.49733%0.333SS..  trans-116.620.4-167-58.1-38.7000113R238 H239 D273R238-D275 VanDerWaalsContact NH2-C 3.28Å; R238-D275 VanDerWaalsContact NH2-CA 3.34Å; R238-D275 PolarHBondContact NH2-O 2.72Å; H239-D275 IonicContact NE2-OD1 2.68Å; H239-D275 PolarHBondContact NE2-OD1 3.09Å; D273-D275 VanDerWaalsContact C-N 3.33Å; D273-D275 PolarHBondContact OD1-N 3.46Å
276L98.7Very high98.2Very high6 Ų662.8 Ų62.83%0.03131%0.31CS..  trans-46.6133.4167.9-63.1172.1000110.6R238 N253 A256 W257 Q269 D273R238-L276 VanDerWaalsContact CZ-O 3.29Å; R238-L276 PolarHBondContact NH1-O 2.83Å; R238-L276 PolarHBondContact NH2-O 2.92Å; N253-L276 HydrophobicContact CB-CD1 4.36Å; N253-L276 WeakPolarHBondContact O-CD1 3.49Å; A256-L276 HydrophobicContact CB-CD1 3.91Å; W257-L276 HydrophobicContact CB-CD1 3.94Å; Q269-L276 HydrophobicContact CB-CD2 3.99Å; Q269-L276 HydrophobicContact CG-CD2 4.09Å; D273-L276 HydrophobicContact CB-CD2 3.92Å; D273-L276 HydrophobicContact CB-CG 3.96Å
277P98.6Very high98.3Very high54 Ų5458.8 Ų58.835%0.35129%0.293SS..  trans-65142-176.925.6-33.9000111.4Q260Q260-P277 PolarHBondContact NE2-O 3.01Å
278F98.8Very high98.4Very high7 Ų755.5 Ų55.53%0.03127%0.274CS..SBendtrans-69.8-55172.2174.5-132.3000110.8W175 V187 I189 V195 N202 I203 D204W175-F278 HydrophobicContact CB-CZ 3.96Å; W175-F278 AromaticContact CD1-CE2 3.65Å; W175-F278 AromaticContact CD1-CZ 3.41Å; W175-F278 VanDerWaalsContact CD1-CZ 3.41Å; W175-F278 HydrophobicContact CG-CE2 4.21Å; W175-F278 AromaticContact CG-CZ 3.87Å; W175-F278 HydrophobicContact CG-CZ 3.87Å; V187-F278 HydrophobicContact CB-CE1 4.09Å; V187-F278 HydrophobicContact CG1-CE1 4.2Å; V187-F278 HydrophobicContact CG2-CE1 4.36Å; I189-F278 HydrophobicContact CD1-CE1 4.2Å; I189-F278 HydrophobicContact CD1-CZ 3.9Å; V195-F278 HydrophobicContact CB-CE2 4.41Å; V195-F278 HydrophobicContact CG1-CD2 3.71Å; V195-F278 HydrophobicContact CG1-CE2 3.49Å; V195-F278 VanDerWaalsContact CG1-CE2 3.49Å; V195-F278 HydrophobicContact CG1-CZ 4.47Å; V195-F278 HydrophobicContact CG2-CD2 4.26Å; V195-F278 HydrophobicContact CG2-CE2 3.98Å; V195-F278 HydrophobicContact CG2-CZ 4.27Å; N202-F278 HydrophobicContact CB-CD2 3.62Å; N202-F278 HydrophobicContact CB-CE2 3.78Å; I203-F278 HydrophobicContact CG1-CD1 4.49Å; I203-F278 HydrophobicContact CG1-CE1 3.92Å; I203-F278 HydrophobicContact CG1-CZ 4.01Å; D204-F278 HydrophobicContact CB-CB 4.43Å; D204-F278 VanDerWaalsContact CG-CB 3.41Å; D204-F278 WeakPolarHBondContact OD1-CB 3.48Å; D204-F278 VanDerWaalsContact OD2-CB 3.26Å; D204-F278 WeakPolarHBondContact OD2-CB 3.19Å; D204-F278 PolarHBondContact OD2-N 2.95Å
279I98.9Very high98.5Very high39 Ų3949.3 Ų49.320%0.225%0.245CC..SBendtrans-90.5113.6-178.8-56.8-57.6000110.4I189 P190 A193 V195I189-I279 HydrophobicContact CD1-CD1 3.71Å; I189-I279 HydrophobicContact CG2-CD1 4.45Å; P190-I279 HydrophobicContact CG-CG2 4Å; A193-I279 HydrophobicContact CB-CG2 3.67Å; V195-I279 HydrophobicContact CG2-CD1 3.98Å
280C98.9Very high98.7Very high8 Ų848.1 Ų48.15%0.05424%0.24CC..BIsolated β-bridgetrans-115.2158.9-178.9-63.40000112.2A193 Y194 Q260A193-C280 CarbonylContact C-O 3.55Å; A193-C280 WeakPolarHBondContact CA-O 3.22Å; A193-C280 VanDerWaalsContact CB-O 3.26Å; A193-C280 WeakPolarHBondContact CB-O 3.46Å; Y194-C280 HydrophobicContact CD1-CB 3.82Å; Y194-C280 WeakPolarHBondContact CD1-O 3.43Å; Y194-C280 HydrophobicContact CD2-CB 4.27Å; Y194-C280 HydrophobicContact CE1-CB 3.25Å; Y194-C280 HydrophobicContact CE2-CB 3.75Å; Y194-C280 HydrophobicContact CG-CB 4.29Å; Y194-C280 PolarHBondContact N-O 2.82Å; Y194-C280 PolarHBondContact O-N 3.36Å; Y194-C280 WeakPolarHBondContact OH-CB 3.36Å; Q260-C280 PolarHBondContact NE2-SG 2.82Å
281R98.8Very high98.7Very high126 Ų12643.8 Ų43.848%0.47522%0.216SC..  trans-129.7107.2179.2-74.2178.6169.37017.9110.9D192 T264D192-R281 VanDerWaalsContact CG-NE 3.34Å; D192-R281 IonicContact OD1-CZ 3.48Å; D192-R281 IonicContact OD1-NE 3.99Å; D192-R281 PolarHBondContact OD1-NE 3.09Å; D192-R281 IonicContact OD1-NH2 2.67Å; D192-R281 PolarHBondContact OD1-NH2 2.97Å; D192-R281 IonicContact OD2-CZ 3.55Å; D192-R281 IonicContact OD2-NE 2.73Å; D192-R281 PolarHBondContact OD2-NE 2.85Å; D192-R281 IonicContact OD2-NH2 3.53Å; T264-R281 WeakPolarHBondContact CG2-O 3.2Å
282A98.7Very high98.8Very high25 Ų2543.7 Ų43.721%0.20722%0.215CC..  trans-68.1150.6-172.700000112.6Y194 F263 R284 I286Y194-A282 HydrophobicContact CD1-CB 3.87Å; Y194-A282 HydrophobicContact CE1-CB 3.8Å; F263-A282 HydrophobicContact CB-CB 3.96Å; F263-A282 HydrophobicContact CD1-CB 4.45Å; F263-A282 WeakPolarHBondContact O-CA 3.47Å; A282-R284 VanDerWaalsContact CB-O 3.27Å; A282-R284 WeakPolarHBondContact CB-O 3.06Å; A282-R284 PolarHBondContact O-N 2.84Å; A282-I286 HydrophobicContact CB-CD1 4.11Å; A282-I286 HydrophobicContact CB-CG1 4.16Å
283N98.3Very high98.8Very high88 Ų8844 Ų4447%0.47121%0.214SC..SBendtrans-74.1-5177.670.115.5000114.3F263 P265 E266F263-N283 PolarHBondContact O-N 2.86Å; P265-N283 VanDerWaalsContact CD-ND2 3.28Å; P265-N283 WeakPolarHBondContact CD-ND2 3.4Å; P265-N283 VanDerWaalsContact CG-ND2 3.27Å; P265-N283 WeakPolarHBondContact CG-ND2 3.29Å; E266-N283 WeakPolarHBondContact OE2-CB 3.44Å; E266-N283 PolarHBondContact OE2-ND2 3.07Å
284R98.8Very high98.8Very high90 Ų9041.1 Ų41.134%0.3420%0.199SC..SBendtrans-147.4166.4177.667.3-178.6-173-784.3109.4Y262 A282 D290Y262-R284 VanDerWaalsContact CZ-NH2 3.29Å; Y262-R284 PolarHBondContact O-NH1 2.81Å; Y262-R284 PolarHBondContact O-NH2 2.9Å; A282-R284 VanDerWaalsContact CB-O 3.27Å; A282-R284 WeakPolarHBondContact CB-O 3.06Å; A282-R284 PolarHBondContact O-N 2.84Å; R284-D290 IonicContact CZ-OD1 3.68Å; R284-D290 IonicContact NE-OD1 3.63Å; R284-D290 IonicContact NH2-OD1 3.82Å; R284-D290 PolarHBondContact NH2-OD1 2.8Å
285K98.9Very high98.8Very high107 Ų10739.7 Ų39.747%0.46519%0.192SC..PPolyproline II helixtrans-71.6144.1168.3-69.3172.7146.3-118.20111.3A26 S27 I28A26-K285 CarbonylContact O-C 3.32Å; A26-K285 WeakPolarHBondContact O-CA 3.19Å; S27-K285 PolarHBondContact O-NZ 3.34Å; I28-K285 HydrophobicContact CB-CB 4.25Å; I28-K285 HydrophobicContact CG1-CB 4.48Å; I28-K285 PolarHBondContact O-NZ 2.99Å
286I98.9Very high98.8Very high0 Ų035.7 Ų35.70%017%0.171CC..BIsolated β-bridgetrans-94.2135.7-173.5-58.8-179.1000110.9V22 A26 S27 I28 Y194 F263 A282 D290 V291V22-I286 HydrophobicContact CG1-CB 4.11Å; V22-I286 HydrophobicContact CG1-CD1 4.15Å; V22-I286 HydrophobicContact CG2-CB 4.46Å; V22-I286 HydrophobicContact CG2-CD1 4.17Å; V22-I286 HydrophobicContact CG2-CG2 4.01Å; A26-I286 PolarHBondContact O-N 3.45Å; S27-I286 CarbonylContact C-O 3.49Å; S27-I286 WeakPolarHBondContact CA-O 3.29Å; I28-I286 PolarHBondContact N-O 3.17Å; Y194-I286 HydrophobicContact CD1-CD1 4.09Å; Y194-I286 HydrophobicContact CD2-CD1 4.49Å; Y194-I286 HydrophobicContact CG-CD1 3.83Å; F263-I286 HydrophobicContact CD1-CD1 3.73Å; F263-I286 HydrophobicContact CD1-CG1 3.76Å; F263-I286 HydrophobicContact CD2-CD1 4.38Å; F263-I286 HydrophobicContact CE1-CB 4.17Å; F263-I286 HydrophobicContact CE1-CD1 3.69Å; F263-I286 HydrophobicContact CE1-CG1 3.6Å; F263-I286 HydrophobicContact CE1-CG2 3.69Å; F263-I286 HydrophobicContact CE2-CD1 4.34Å; F263-I286 HydrophobicContact CG-CD1 4.11Å; F263-I286 HydrophobicContact CZ-CD1 4.02Å; F263-I286 HydrophobicContact CZ-CG1 4.31Å; F263-I286 HydrophobicContact CZ-CG2 3.82Å; A282-I286 HydrophobicContact CB-CD1 4.11Å; A282-I286 HydrophobicContact CB-CG1 4.16Å; I286-D290 HydrophobicContact CG2-CB 4Å; I286-V291 HydrophobicContact CG2-CG2 3.74Å
287T98.9Very high98.8Very high26 Ų2635.4 Ų35.416%0.1617%0.17CC..PPolyproline II helixtrans-100.3169.317567.10000112.2I28 E289 D290 V291I28-T287 HydrophobicContact CB-CG2 4.08Å; I28-T287 HydrophobicContact CD1-CG2 3.63Å; I28-T287 HydrophobicContact CG1-CG2 4.46Å; I28-T287 HydrophobicContact CG2-CG2 3.95Å; T287-E289 VanDerWaalsContact C-N 3.26Å; T287-E289 PolarHBondContact OG1-N 2.86Å; T287-D290 WeakPolarHBondContact CB-OD2 3.36Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.42Å; T287-D290 PolarHBondContact N-OD2 3.47Å; T287-D290 PolarHBondContact O-N 2.92Å; T287-D290 WeakPolarHBondContact OG1-CB 3.18Å; T287-D290 PolarHBondContact OG1-N 2.66Å; T287-D290 PolarHBondContact OG1-OD2 3.28Å; T287-V291 WeakPolarHBondContact O-CG2 3.05Å; T287-V291 PolarHBondContact O-N 3.11Å
288I98.9Very high98.8Very high2 Ų232.9 Ų32.91%0.0115%0.154CC..Hα-helixtrans-65.3-36.5170.6-61.6-68.8000110.1I33 V291 K292 I331 Q333 W347 V358I33-I288 HydrophobicContact CD1-CD1 3.88Å; I33-I288 HydrophobicContact CG1-CD1 4.26Å; I288-V291 PolarHBondContact O-N 3.39Å; I288-K292 PolarHBondContact O-N 3.02Å; I288-I331 HydrophobicContact CD1-CG2 3.69Å; I288-I331 HydrophobicContact CG2-CD1 4.02Å; I288-Q333 HydrophobicContact CD1-CB 4.28Å; I288-Q333 HydrophobicContact CD1-CG 4.28Å; I288-W347 HydrophobicContact CB-CZ2 4.31Å; I288-W347 HydrophobicContact CG1-CZ2 3.89Å; I288-W347 HydrophobicContact CG2-CD2 3.7Å; I288-W347 HydrophobicContact CG2-CE3 3.86Å; I288-W347 HydrophobicContact CG2-CG 4.17Å; I288-W347 HydrophobicContact CG2-CH2 4.26Å; I288-W347 HydrophobicContact CG2-CZ2 4.11Å; I288-W347 HydrophobicContact CG2-CZ3 4.14Å; I288-V358 HydrophobicContact CG2-CG2 4.3Å
289E98.9Very high98.8Very high67 Ų6732.6 Ų32.631%0.31315%0.152SC..Hα-helixtrans-63.8-40.2176.6-65.377.2-178.500111.7T287 K292 F293 M414 R418T287-E289 VanDerWaalsContact C-N 3.26Å; T287-E289 PolarHBondContact OG1-N 2.86Å; E289-K292 PolarHBondContact O-N 2.67Å; E289-F293 WeakPolarHBondContact O-CB 3.39Å; E289-F293 PolarHBondContact O-N 2.88Å; E289-M414 HydrophobicContact CG-CE 4.1Å; E289-R418 IonicContact OE1-CZ 3.56Å; E289-R418 VanDerWaalsContact OE1-CZ 3.27Å; E289-R418 IonicContact OE1-NE 2.7Å; E289-R418 PolarHBondContact OE1-NE 3.28Å; E289-R418 IonicContact OE1-NH2 3.51Å; E289-R418 PolarHBondContact OE1-NH2 2.91Å; E289-R418 IonicContact OE2-CZ 3.04Å; E289-R418 IonicContact OE2-NH2 3.58Å; E289-R418 PolarHBondContact OE2-NH2 3.34Å
290D98.9Very high98.8Very high14 Ų1432 Ų328%0.07515%0.149CC..Hα-helixtrans-61.1-45.4172.1-73.4-69.9000111.4Y262 F263 R284 I286 T287 F293 V294Y262-D290 HydrophobicContact CE1-CB 3.94Å; Y262-D290 VanDerWaalsContact CE1-OD1 3.31Å; Y262-D290 WeakPolarHBondContact CE1-OD1 3.46Å; Y262-D290 PolarHBondContact OH-OD1 3.31Å; F263-D290 HydrophobicContact CE1-CB 3.73Å; F263-D290 HydrophobicContact CZ-CB 3.99Å; R284-D290 IonicContact CZ-OD1 3.68Å; R284-D290 IonicContact NE-OD1 3.63Å; R284-D290 IonicContact NH2-OD1 3.82Å; R284-D290 PolarHBondContact NH2-OD1 2.8Å; I286-D290 HydrophobicContact CG2-CB 4Å; T287-D290 WeakPolarHBondContact CB-OD2 3.36Å; T287-D290 WeakPolarHBondContact CG2-OD2 3.42Å; T287-D290 PolarHBondContact N-OD2 3.47Å; T287-D290 PolarHBondContact O-N 2.92Å; T287-D290 WeakPolarHBondContact OG1-CB 3.18Å; T287-D290 PolarHBondContact OG1-N 2.66Å; T287-D290 PolarHBondContact OG1-OD2 3.28Å; D290-F293 PolarHBondContact O-N 3.06Å; D290-V294 PolarHBondContact O-N 3.07Å; D290-V294 VanDerWaalsContact O-N 3.09Å
291V98.9Very high98.7Very high0 Ų039.6 Ų39.60%019%0.189CC..Hα-helixtrans-64.4-46.9178.6173.60000110.4V20 V22 S35 I286 T287 I288 F293 V294 L295 I331V20-V291 HydrophobicContact CB-CG1 4.29Å; V20-V291 HydrophobicContact CG1-CG1 4.39Å; V20-V291 HydrophobicContact CG1-CG2 4.28Å; V22-V291 HydrophobicContact CG2-CG2 4.16Å; S35-V291 WeakPolarHBondContact OG-CG1 3.26Å; I286-V291 HydrophobicContact CG2-CG2 3.74Å; T287-V291 WeakPolarHBondContact O-CG2 3.05Å; T287-V291 PolarHBondContact O-N 3.11Å; I288-V291 PolarHBondContact O-N 3.39Å; V291-F293 VanDerWaalsContact C-N 3.31Å; V291-F293 PolarHBondContact O-N 2.83Å; V291-V294 PolarHBondContact O-N 2.69Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 HydrophobicContact CG1-CG 4.36Å; V291-L295 WeakPolarHBondContact O-CB 3.32Å; V291-L295 WeakPolarHBondContact O-CG 3.19Å; V291-L295 PolarHBondContact O-N 2.93Å; V291-I331 HydrophobicContact CB-CD1 4.14Å; V291-I331 HydrophobicContact CG1-CD1 3.73Å; V291-I331 HydrophobicContact CG1-CG1 3.95Å; V291-I331 HydrophobicContact CG1-CG2 4.27Å
292K98.9Very high98.7Very high11 Ų1134.8 Ų34.85%0.04817%0.173CC..Hα-helixtrans-60.2-39.8174.7177.356168.1630111.4I288 E289 L295 S296 I331 N353 N356 V358I288-K292 PolarHBondContact O-N 3.02Å; E289-K292 PolarHBondContact O-N 2.67Å; K292-L295 CarbonylContact O-C 3.57Å; K292-L295 PolarHBondContact O-N 3.07Å; K292-S296 WeakPolarHBondContact CD-OG 3.47Å; K292-S296 WeakPolarHBondContact CE-OG 3.2Å; K292-S296 PolarHBondContact NZ-OG 2.71Å; K292-S296 VanDerWaalsContact O-CB 3.31Å; K292-S296 WeakPolarHBondContact O-CB 3.48Å; K292-S296 PolarHBondContact O-N 3.49Å; K292-S296 PolarHBondContact O-OG 3.17Å; K292-I331 HydrophobicContact CB-CD1 4.11Å; K292-N353 PolarHBondContact NZ-O 3.08Å; K292-N356 WeakPolarHBondContact CE-OD1 3.43Å; K292-N356 PolarHBondContact NZ-O 3.46Å; K292-N356 PolarHBondContact NZ-OD1 2.71Å; K292-V358 HydrophobicContact CB-CG2 4.19Å; K292-V358 HydrophobicContact CD-CG1 3.92Å; K292-V358 HydrophobicContact CD-CG2 4.38Å; K292-V358 HydrophobicContact CG-CG2 4.16Å
293F98.8Very high98.7Very high71 Ų7138.5 Ų38.531%0.31119%0.185SC..Hα-helixtrans-58.5-53.6175.7172.5-97.4000111.3Y258 Y262 E289 D290 V291 L295 S296 S297Y258-F293 HydrophobicContact CE1-CE1 4.43Å; Y262-F293 HydrophobicContact CD1-CD1 4.24Å; Y262-F293 AromaticContact CD2-CD1 3.74Å; Y262-F293 HydrophobicContact CD2-CD1 3.74Å; Y262-F293 AromaticContact CD2-CE1 3.45Å; Y262-F293 HydrophobicContact CD2-CE1 3.45Å; Y262-F293 VanDerWaalsContact CD2-CE1 3.45Å; Y262-F293 AromaticContact CE1-CD1 3.9Å; Y262-F293 HydrophobicContact CE1-CD1 3.9Å; Y262-F293 AromaticContact CE2-CD1 3.37Å; Y262-F293 HydrophobicContact CE2-CD1 3.37Å; Y262-F293 AromaticContact CE2-CE1 3.38Å; Y262-F293 HydrophobicContact CE2-CE1 3.38Å; Y262-F293 HydrophobicContact CE2-CG 4.32Å; Y262-F293 HydrophobicContact CE2-CZ 4.32Å; Y262-F293 HydrophobicContact CG-CD1 4.15Å; Y262-F293 HydrophobicContact CG-CE1 4.1Å; Y262-F293 AromaticContact CZ-CD1 3.45Å; Y262-F293 VanDerWaalsContact CZ-CD1 3.45Å; Y262-F293 AromaticContact CZ-CE1 3.99Å; E289-F293 WeakPolarHBondContact O-CB 3.39Å; E289-F293 PolarHBondContact O-N 2.88Å; D290-F293 PolarHBondContact O-N 3.06Å; V291-F293 VanDerWaalsContact C-N 3.31Å; V291-F293 PolarHBondContact O-N 2.83Å; F293-L295 VanDerWaalsContact C-N 3.32Å; F293-L295 PolarHBondContact O-N 3.33Å; F293-S296 CarbonylContact O-C 3.48Å; F293-S296 PolarHBondContact O-N 3Å; F293-S297 WeakPolarHBondContact O-CB 3.47Å; F293-S297 PolarHBondContact O-N 2.74Å
294V98.9Very high98.7Very high0 Ų035.9 Ų35.90%017%0.168CC..Hα-helixtrans-59.2-44.4178.3174.30000110.9V20 Y262 F263 D290 V291 S296 S297 I321V20-V294 HydrophobicContact CG2-CG1 4.2Å; Y262-V294 HydrophobicContact CD1-CG2 3.53Å; Y262-V294 HydrophobicContact CE1-CG2 4.14Å; Y262-V294 HydrophobicContact CG-CG2 4.03Å; F263-V294 HydrophobicContact CE2-CG2 3.76Å; F263-V294 HydrophobicContact CZ-CG2 4.04Å; D290-V294 PolarHBondContact O-N 3.07Å; D290-V294 VanDerWaalsContact O-N 3.09Å; V291-V294 PolarHBondContact O-N 2.69Å; V294-S296 PolarHBondContact O-N 3.42Å; V294-S297 WeakPolarHBondContact O-CB 3.28Å; V294-S297 PolarHBondContact O-N 2.79Å; V294-S297 VanDerWaalsContact O-N 3.17Å; V294-S297 PolarHBondContact O-OG 2.93Å; V294-I321 HydrophobicContact CG1-CD1 4.16Å; V294-I321 VanDerWaalsContact O-CG2 3.26Å; V294-I321 WeakPolarHBondContact O-CG2 3.38Å
295L98.9Very high98.7Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-67.8-12.6176-70.4-177000114.6T18 V20 N37 V291 K292 F293 I321 V329 I331 N353T18-L295 WeakPolarHBondContact O-CD2 3.07Å; V20-L295 HydrophobicContact CG2-CD2 3.99Å; V20-L295 HydrophobicContact CG2-CG 4.34Å; N37-L295 PolarHBondContact ND2-O 2.82Å; N37-L295 WeakPolarHBondContact OD1-CB 3.2Å; N37-L295 PolarHBondContact OD1-O 3.41Å; V291-L295 HydrophobicContact CG1-CD1 3.89Å; V291-L295 HydrophobicContact CG1-CG 4.36Å; V291-L295 WeakPolarHBondContact O-CB 3.32Å; V291-L295 WeakPolarHBondContact O-CG 3.19Å; V291-L295 PolarHBondContact O-N 2.93Å; K292-L295 CarbonylContact O-C 3.57Å; K292-L295 PolarHBondContact O-N 3.07Å; F293-L295 VanDerWaalsContact C-N 3.32Å; F293-L295 PolarHBondContact O-N 3.33Å; L295-I321 HydrophobicContact CD2-CG2 4.32Å; L295-V329 HydrophobicContact CB-CG2 4.32Å; L295-V329 HydrophobicContact CD1-CG2 3.81Å; L295-I331 HydrophobicContact CD1-CG1 4.27Å; L295-N353 PolarHBondContact O-ND2 2.94Å
296S98.9Very high98.7Very high8 Ų829.5 Ų29.56%0.05615%0.149CC..Hα-helixtrans-102.1-9.6174.5-49.50000113.1K292 F293 V294 N353K292-S296 WeakPolarHBondContact CD-OG 3.47Å; K292-S296 WeakPolarHBondContact CE-OG 3.2Å; K292-S296 PolarHBondContact NZ-OG 2.71Å; K292-S296 VanDerWaalsContact O-CB 3.31Å; K292-S296 WeakPolarHBondContact O-CB 3.48Å; K292-S296 PolarHBondContact O-N 3.49Å; K292-S296 PolarHBondContact O-OG 3.17Å; F293-S296 CarbonylContact O-C 3.48Å; F293-S296 PolarHBondContact O-N 3Å; V294-S296 PolarHBondContact O-N 3.42Å; S296-N353 PolarHBondContact OG-O 2.91Å
297S98.8Very high98.6Very high0 Ų032 Ų320%016%0.158CC..  trans-75.1153.1-164.667.10000114.3Y258 F293 V294 E300 I321 G322Y258-S297 WeakPolarHBondContact CD1-OG 3.36Å; Y258-S297 VanDerWaalsContact CE1-CB 3.42Å; Y258-S297 WeakPolarHBondContact CE1-OG 3.36Å; F293-S297 WeakPolarHBondContact O-CB 3.47Å; F293-S297 PolarHBondContact O-N 2.74Å; V294-S297 WeakPolarHBondContact O-CB 3.28Å; V294-S297 PolarHBondContact O-N 2.79Å; V294-S297 VanDerWaalsContact O-N 3.17Å; V294-S297 PolarHBondContact O-OG 2.93Å; S297-E300 WeakPolarHBondContact CA-OE1 3.5Å; S297-E300 WeakPolarHBondContact CB-OE2 3.45Å; S297-I321 WeakPolarHBondContact O-CA 3.42Å; S297-I321 WeakPolarHBondContact O-CB 3.35Å; S297-I321 PolarHBondContact O-N 3.49Å; S297-G322 PolarHBondContact O-N 3.09Å
298H98.7Very high98.6Very high2 Ų231.9 Ų31.91%0.00916%0.162CC..SBendtrans-13627.7-178.455.878.5000112.3E300 D305 P306 Y307 P320 Y399H298-E300 IonicContact CD2-OE1 3.51Å; H298-E300 PolarHBondContact CD2-OE1 2.93Å; H298-E300 VanDerWaalsContact CD2-OE1 3.29Å; H298-E300 IonicContact CE1-OE1 2.81Å; H298-E300 IonicContact CG-OE1 3.49Å; H298-E300 PolarHBondContact N-OE1 3.25Å; H298-E300 PolarHBondContact N-OE2 3.08Å; H298-E300 IonicContact NE2-OE1 3.95Å; H298-E300 PolarHBondContact NE2-OE1 2.85Å; H298-D305 IonicContact CE1-OD1 2.69Å; H298-D305 PolarHBondContact CE1-OD1 2.86Å; H298-D305 IonicContact CE1-OD2 2.78Å; H298-D305 IonicContact ND1-OD1 2.75Å; H298-D305 PolarHBondContact ND1-OD1 2.88Å; H298-D305 VanDerWaalsContact ND1-OD1 3.17Å; H298-D305 IonicContact ND1-OD2 3.46Å; H298-D305 WeakPolarHBondContact O-CA 3.28Å; H298-P306 HydrophobicContact CB-CG 4.06Å; H298-P306 WeakPolarHBondContact O-CD 3.43Å; H298-Y307 AromaticContact CE1-CD2 3.63Å; H298-Y307 AromaticContact ND1-CD2 3.74Å; H298-Y307 AromaticContact NE2-CD2 3.94Å; H298-P320 HydrophobicContact CB-CB 3.76Å; H298-Y399 AromaticContact NE2-CZ 3.6Å; H298-Y399 PolarHBondContact NE2-OH 2.77Å
299F98.5Very high98.5Very high0 Ų040.2 Ų40.20%021%0.207CC..  trans75.936.5180-40.3-67.6000114.7P254 R255 W257 Y258 T302 I318 R319 P320P254-F299 HydrophobicContact CB-CE1 4.18Å; P254-F299 HydrophobicContact CB-CZ 4.2Å; P254-F299 WeakPolarHBondContact O-CE1 3.49Å; R255-F299 HydrophobicContact CG-CZ 4.15Å; W257-F299 HydrophobicContact CZ3-CD1 4.5Å; Y258-F299 HydrophobicContact CD1-CD1 4.39Å; Y258-F299 HydrophobicContact CD2-CB 4.37Å; Y258-F299 AromaticContact CD2-CD1 3.88Å; Y258-F299 HydrophobicContact CD2-CD1 3.88Å; Y258-F299 HydrophobicContact CE2-CB 4.39Å; Y258-F299 AromaticContact CG-CD1 3.73Å; Y258-F299 HydrophobicContact CG-CD1 3.73Å; Y258-F299 HydrophobicContact CG-CE1 4.32Å; F299-T302 HydrophobicContact CB-CG2 4.5Å; F299-T302 WeakPolarHBondContact CB-OG1 3.34Å; F299-T302 VanDerWaalsContact O-CB 3.29Å; F299-T302 WeakPolarHBondContact O-CB 3.42Å; F299-T302 WeakPolarHBondContact O-CG2 3.45Å; F299-T302 PolarHBondContact O-N 3.15Å; F299-T302 VanDerWaalsContact O-N 3.08Å; F299-T302 PolarHBondContact O-OG1 3.12Å; F299-I318 HydrophobicContact CD2-CG2 4.23Å; F299-I318 HydrophobicContact CE1-CG2 4.28Å; F299-I318 HydrophobicContact CE2-CB 3.91Å; F299-I318 HydrophobicContact CE2-CG2 3.3Å; F299-I318 HydrophobicContact CZ-CB 4.41Å; F299-I318 HydrophobicContact CZ-CG2 3.34Å; F299-R319 WeakPolarHBondContact CZ-O 3.45Å; F299-P320 HydrophobicContact CE2-CB 4.17Å
300E98.4Very high98.4Very high27 Ų2737.6 Ų37.613%0.12620%0.199CC..THydrogen-bonded Turntrans-46142177.2-5984164.600113Y258 S297 H298 T302 D305Y258-E300 WeakPolarHBondContact OH-CB 3.44Å; Y258-E300 PolarHBondContact OH-N 3.37Å; Y258-E300 VanDerWaalsContact OH-N 3.1Å; Y258-E300 PolarHBondContact OH-O 2.99Å; Y258-E300 PolarHBondContact OH-OE2 3.41Å; S297-E300 WeakPolarHBondContact CA-OE1 3.5Å; S297-E300 WeakPolarHBondContact CB-OE2 3.45Å; H298-E300 IonicContact CD2-OE1 3.51Å; H298-E300 PolarHBondContact CD2-OE1 2.93Å; H298-E300 VanDerWaalsContact CD2-OE1 3.29Å; H298-E300 IonicContact CE1-OE1 2.81Å; H298-E300 IonicContact CG-OE1 3.49Å; H298-E300 PolarHBondContact N-OE1 3.25Å; H298-E300 PolarHBondContact N-OE2 3.08Å; H298-E300 IonicContact NE2-OE1 3.95Å; H298-E300 PolarHBondContact NE2-OE1 2.85Å; E300-T302 PolarHBondContact O-N 3.46Å; E300-D305 WeakPolarHBondContact CA-OD2 3.27Å
301N97.7Very high98.4Very high167 Ų16740.8 Ų40.889%0.89322%0.219SC*.THydrogen-bonded Turntrans57.725.6-175.8-53.7-76.5000113.8
302T98.2Very high98.3Very high25 Ų2546.9 Ų46.915%0.15325%0.247CC..SBendtrans-125.5165.6166.884.20000110.2W257 Y258 F299 E300 Y304 D305W257-T302 HydrophobicContact CH2-CG2 4.02Å; W257-T302 HydrophobicContact CZ3-CG2 4.41Å; Y258-T302 HydrophobicContact CE2-CG2 4.19Å; F299-T302 HydrophobicContact CB-CG2 4.5Å; F299-T302 WeakPolarHBondContact CB-OG1 3.34Å; F299-T302 VanDerWaalsContact O-CB 3.29Å; F299-T302 WeakPolarHBondContact O-CB 3.42Å; F299-T302 WeakPolarHBondContact O-CG2 3.45Å; F299-T302 PolarHBondContact O-N 3.15Å; F299-T302 VanDerWaalsContact O-N 3.08Å; F299-T302 PolarHBondContact O-OG1 3.12Å; E300-T302 PolarHBondContact O-N 3.46Å; T302-Y304 PolarHBondContact O-N 2.88Å; T302-Y304 PolarHBondContact OG1-N 3.39Å; T302-Y304 VanDerWaalsContact OG1-N 3.14Å; T302-D305 WeakPolarHBondContact O-CB 3.06Å; T302-D305 PolarHBondContact O-N 3.3Å
303K98.1Very high98.3Very high103 Ų10349.8 Ų49.845%0.44827%0.273SS..THydrogen-bonded Turntrans-70.8-5.3174.268.6-171.1-162.4148.10114.5E314K303-E314 VanDerWaalsContact CD-OE1 3.28Å; K303-E314 WeakPolarHBondContact CD-OE1 3.48Å; K303-E314 VanDerWaalsContact CE-OE1 3.28Å; K303-E314 WeakPolarHBondContact CE-OE1 3.24Å; K303-E314 IonicContact NZ-OE1 3.01Å; K303-E314 PolarHBondContact NZ-OE1 2.86Å; K303-E314 WeakPolarHBondContact O-CB 3.39Å
304Y98.6Very high98.3Very high33 Ų3348.8 Ų48.813%0.12927%0.269CS..THydrogen-bonded Turntrans-96.2-4.3179.4-51.2-70000112.8P271 T302 L317 I318P271-Y304 HydrophobicContact CG-CE2 3.96Å; T302-Y304 PolarHBondContact O-N 2.88Å; T302-Y304 PolarHBondContact OG1-N 3.39Å; T302-Y304 VanDerWaalsContact OG1-N 3.14Å; Y304-L317 HydrophobicContact CD1-CD2 4.48Å; Y304-L317 HydrophobicContact CE1-CD2 4.08Å; Y304-I318 HydrophobicContact CD1-CD1 3.5Å; Y304-I318 VanDerWaalsContact CD1-CD1 3.5Å; Y304-I318 HydrophobicContact CD1-CG1 4.16Å; Y304-I318 HydrophobicContact CD2-CD1 4.11Å; Y304-I318 HydrophobicContact CE1-CD1 3.85Å; Y304-I318 HydrophobicContact CE2-CD1 4.44Å; Y304-I318 HydrophobicContact CG-CD1 3.63Å
305D98.7Very high98.2Very high18 Ų1850.8 Ų50.810%0.09628%0.278CS..  trans-61118.9174.6-176-32.2000110.3H298 E300 T302 Y307 G308 K315H298-D305 IonicContact CE1-OD1 2.69Å; H298-D305 PolarHBondContact CE1-OD1 2.86Å; H298-D305 IonicContact CE1-OD2 2.78Å; H298-D305 IonicContact ND1-OD1 2.75Å; H298-D305 PolarHBondContact ND1-OD1 2.88Å; H298-D305 VanDerWaalsContact ND1-OD1 3.17Å; H298-D305 IonicContact ND1-OD2 3.46Å; H298-D305 WeakPolarHBondContact O-CA 3.28Å; E300-D305 WeakPolarHBondContact CA-OD2 3.27Å; T302-D305 WeakPolarHBondContact O-CB 3.06Å; T302-D305 PolarHBondContact O-N 3.3Å; D305-Y307 PolarHBondContact O-N 3.35Å; D305-Y307 WeakPolarHBondContact OD1-CA 3.18Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.38Å; D305-Y307 PolarHBondContact OD1-N 3.06Å; D305-G308 PolarHBondContact O-N 3.42Å; D305-G308 PolarHBondContact OD1-N 2.99Å; D305-K315 WeakPolarHBondContact O-CG 3.24Å
306P98.4Very high98.2Very high45 Ų4555.4 Ų55.429%0.29231%0.306SS..THydrogen-bonded Turntrans-65.1-24.8-178.627.3-33.9000113.3H298H298-P306 HydrophobicContact CB-CG 4.06Å; H298-P306 WeakPolarHBondContact O-CD 3.43Å
307Y98.3Very high98.1Very high52 Ų5258.4 Ų58.420%0.20432%0.322CS..THydrogen-bonded Turntrans-98-6.2177.5-52.9-64000113.5H298 D305 D396 Y399 N400H298-Y307 AromaticContact CE1-CD2 3.63Å; H298-Y307 AromaticContact ND1-CD2 3.74Å; H298-Y307 AromaticContact NE2-CD2 3.94Å; D305-Y307 PolarHBondContact O-N 3.35Å; D305-Y307 WeakPolarHBondContact OD1-CA 3.18Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.38Å; D305-Y307 PolarHBondContact OD1-N 3.06Å; Y307-D396 WeakPolarHBondContact CE1-OD1 3.28Å; Y307-D396 PolarHBondContact OH-OD1 3.22Å; Y307-D396 VanDerWaalsContact OH-OD1 3.08Å; Y307-Y399 HydrophobicContact CD1-CD2 4.47Å; Y307-Y399 HydrophobicContact CD1-CG 4.02Å; Y307-Y399 HydrophobicContact CD2-CD1 4.02Å; Y307-Y399 AromaticContact CD2-CD2 3.81Å; Y307-Y399 HydrophobicContact CD2-CD2 3.81Å; Y307-Y399 HydrophobicContact CD2-CE1 4.34Å; Y307-Y399 HydrophobicContact CD2-CE2 4.15Å; Y307-Y399 AromaticContact CD2-CG 3.74Å; Y307-Y399 HydrophobicContact CD2-CG 3.74Å; Y307-Y399 HydrophobicContact CE1-CD2 4.48Å; Y307-Y399 HydrophobicContact CE1-CG 4.44Å; Y307-Y399 AromaticContact CE2-CD2 3.83Å; Y307-Y399 HydrophobicContact CE2-CD2 3.83Å; Y307-Y399 HydrophobicContact CE2-CE2 4.16Å; Y307-Y399 HydrophobicContact CE2-CG 4.19Å; Y307-Y399 AromaticContact CG-CD1 3.92Å; Y307-Y399 HydrophobicContact CG-CD1 3.92Å; Y307-Y399 HydrophobicContact CG-CD2 4.13Å; Y307-Y399 AromaticContact CG-CG 3.63Å; Y307-Y399 HydrophobicContact CG-CG 3.63Å; Y307-N400 PolarHBondContact O-ND2 3.46Å
308G97.5Very high98.1Very high24 Ų2459 Ų5925%0.24732%0.324CS..SBendtrans-88-168.3-17800000115.6D305 G310 K315D305-G308 PolarHBondContact O-N 3.42Å; D305-G308 PolarHBondContact OD1-N 2.99Å; G308-G310 VanDerWaalsContact C-N 3.33Å; G308-G310 PolarHBondContact O-N 3.14Å; G308-K315 VanDerWaalsContact O-CD 3.3Å; G308-K315 WeakPolarHBondContact O-CD 3.31Å
309D96.6Very high98.1Very high177 Ų17759.6 Ų59.695%0.94733%0.327SS*.SBendtrans-87.312.2-173.6-65-50.4000114.9
310G97.8Very high98.1Very high13 Ų1360.8 Ų60.813%0.13433%0.334CS..SBendtrans-63.7161178.800000113.3G308 K315G308-G310 VanDerWaalsContact C-N 3.33Å; G308-G310 PolarHBondContact O-N 3.14Å; G310-K315 VanDerWaalsContact O-CD 3.29Å; G310-K315 WeakPolarHBondContact O-CD 3.29Å; G310-K315 VanDerWaalsContact O-CE 3.23Å; G310-K315 WeakPolarHBondContact O-CE 3.29Å; G310-K315 WeakPolarHBondContact O-CG 3.47Å
311T98.4Very high98.1Very high81 Ų8159.5 Ų59.550%0.49733%0.328SS..  trans-65.1152.8168.364.50000110.2A313 E314 K315T311-A313 PolarHBondContact O-N 2.88Å; T311-E314 WeakPolarHBondContact CB-OE2 3.4Å; T311-E314 WeakPolarHBondContact CG2-OE2 3.4Å; T311-E314 PolarHBondContact N-OE2 3.34Å; T311-E314 VanDerWaalsContact N-OE2 3.15Å; T311-E314 WeakPolarHBondContact O-CA 3.38Å; T311-E314 PolarHBondContact O-N 3.29Å; T311-E314 VanDerWaalsContact OG1-CD 3.26Å; T311-E314 VanDerWaalsContact OG1-CG 3.3Å; T311-E314 WeakPolarHBondContact OG1-CG 3.2Å; T311-E314 PolarHBondContact OG1-OE2 2.81Å; T311-K315 WeakPolarHBondContact O-CG 3.48Å; T311-K315 PolarHBondContact O-N 2.94Å
312E98Very high98.1Very high127 Ų12751.7 Ų51.759%0.59329%0.288SS*.Hα-helixtrans-54.7-33-177.8-166.662.6-168.100113.2K315 T316E312-K315 WeakPolarHBondContact OE2-CE 3.35Å; E312-K315 IonicContact OE2-NZ 3.98Å; E312-K315 PolarHBondContact OE2-NZ 3.46Å; E312-T316 WeakPolarHBondContact O-CB 3.11Å; E312-T316 WeakPolarHBondContact O-CG2 3.44Å; E312-T316 PolarHBondContact O-N 3.19Å; E312-T316 PolarHBondContact O-OG1 2.9Å
313A98Very high98.1Very high73 Ų7351.7 Ų51.760%0.60329%0.287SS*.Hα-helixtrans-71.5-31.6174.600000113.5T311 L317T311-A313 PolarHBondContact O-N 2.88Å; A313-L317 WeakPolarHBondContact O-CB 3.28Å; A313-L317 PolarHBondContact O-N 3.46Å
314E98.4Very high98.1Very high49 Ų4951.9 Ų51.923%0.22929%0.292CS..Hα-helixtrans-79.7-43.5178.1-69.1165.9130.800111.5K303 T311 T316 L317K303-E314 VanDerWaalsContact CD-OE1 3.28Å; K303-E314 WeakPolarHBondContact CD-OE1 3.48Å; K303-E314 VanDerWaalsContact CE-OE1 3.28Å; K303-E314 WeakPolarHBondContact CE-OE1 3.24Å; K303-E314 IonicContact NZ-OE1 3.01Å; K303-E314 PolarHBondContact NZ-OE1 2.86Å; K303-E314 WeakPolarHBondContact O-CB 3.39Å; T311-E314 WeakPolarHBondContact CB-OE2 3.4Å; T311-E314 WeakPolarHBondContact CG2-OE2 3.4Å; T311-E314 PolarHBondContact N-OE2 3.34Å; T311-E314 VanDerWaalsContact N-OE2 3.15Å; T311-E314 WeakPolarHBondContact O-CA 3.38Å; T311-E314 PolarHBondContact O-N 3.29Å; T311-E314 VanDerWaalsContact OG1-CD 3.26Å; T311-E314 VanDerWaalsContact OG1-CG 3.3Å; T311-E314 WeakPolarHBondContact OG1-CG 3.2Å; T311-E314 PolarHBondContact OG1-OE2 2.81Å; E314-T316 PolarHBondContact O-N 2.75Å; E314-L317 WeakPolarHBondContact O-CB 3.1Å; E314-L317 PolarHBondContact O-N 3.04Å
315K98.4Very high97.9Very high42 Ų4251.7 Ų51.718%0.18329%0.291CS..Hα-helixtrans-61-25.2176.7-66-167.9-63129.30114.4D305 G308 G310 T311 E312D305-K315 WeakPolarHBondContact O-CG 3.24Å; G308-K315 VanDerWaalsContact O-CD 3.3Å; G308-K315 WeakPolarHBondContact O-CD 3.31Å; G310-K315 VanDerWaalsContact O-CD 3.29Å; G310-K315 WeakPolarHBondContact O-CD 3.29Å; G310-K315 VanDerWaalsContact O-CE 3.23Å; G310-K315 WeakPolarHBondContact O-CE 3.29Å; G310-K315 WeakPolarHBondContact O-CG 3.47Å; T311-K315 WeakPolarHBondContact O-CG 3.48Å; T311-K315 PolarHBondContact O-N 2.94Å; E312-K315 WeakPolarHBondContact OE2-CE 3.35Å; E312-K315 IonicContact OE2-NZ 3.98Å; E312-K315 PolarHBondContact OE2-NZ 3.46Å
316T97.5Very high97.9Very high97 Ų9750.9 Ų50.960%0.59529%0.287SS*.THydrogen-bonded Turntrans-110.52.8-17961.40000113.5E312 E314E312-T316 WeakPolarHBondContact O-CB 3.11Å; E312-T316 WeakPolarHBondContact O-CG2 3.44Å; E312-T316 PolarHBondContact O-N 3.19Å; E312-T316 PolarHBondContact O-OG1 2.9Å; E314-T316 PolarHBondContact O-N 2.75Å
317L98Very high97.9Very high72 Ų7249.2 Ų49.238%0.37728%0.275SS..THydrogen-bonded Turntrans-68.7-40.7-177.4-178.361.8000112.4V250 M272 Y304 A313 E314V250-L317 HydrophobicContact CG1-CD1 3.87Å; V250-L317 HydrophobicContact CG1-CG 3.99Å; M272-L317 HydrophobicContact CE-CD2 3.82Å; Y304-L317 HydrophobicContact CD1-CD2 4.48Å; Y304-L317 HydrophobicContact CE1-CD2 4.08Å; A313-L317 WeakPolarHBondContact O-CB 3.28Å; A313-L317 PolarHBondContact O-N 3.46Å; E314-L317 WeakPolarHBondContact O-CB 3.1Å; E314-L317 PolarHBondContact O-N 3.04Å
318I97.9Very high97.9Very high11 Ų1146.7 Ų46.76%0.05627%0.266CS..SBendtrans-116.2140.4-163.1-59.2-178.3000110.9V250 P254 F299 Y304 P320V250-I318 VanDerWaalsContact O-CA 3.31Å; V250-I318 WeakPolarHBondContact O-CA 3.36Å; P254-I318 HydrophobicContact CB-CD1 3.89Å; P254-I318 HydrophobicContact CB-CG1 4.48Å; P254-I318 HydrophobicContact CB-CG2 3.34Å; P254-I318 HydrophobicContact CG-CD1 3.81Å; P254-I318 HydrophobicContact CG-CG1 4.19Å; P254-I318 HydrophobicContact CG-CG2 3.63Å; F299-I318 HydrophobicContact CD2-CG2 4.23Å; F299-I318 HydrophobicContact CE1-CG2 4.28Å; F299-I318 HydrophobicContact CE2-CB 3.91Å; F299-I318 HydrophobicContact CE2-CG2 3.3Å; F299-I318 HydrophobicContact CZ-CB 4.41Å; F299-I318 HydrophobicContact CZ-CG2 3.34Å; Y304-I318 HydrophobicContact CD1-CD1 3.5Å; Y304-I318 VanDerWaalsContact CD1-CD1 3.5Å; Y304-I318 HydrophobicContact CD1-CG1 4.16Å; Y304-I318 HydrophobicContact CD2-CD1 4.11Å; Y304-I318 HydrophobicContact CE1-CD1 3.85Å; Y304-I318 HydrophobicContact CE2-CD1 4.44Å; Y304-I318 HydrophobicContact CG-CD1 3.63Å; I318-P320 WeakPolarHBondContact O-CD 3.41Å
319R98.1Very high98Very high15 Ų1545.6 Ų45.66%0.05725%0.254CS..  trans-72.8116.8172.3-178.1-132.5-168.1-85.616109.9S16 D39 V250 Y251 R255 F299 I323 R325S16-R319 PolarHBondContact O-NH2 2.89Å; S16-R319 PolarHBondContact OG-NE 3.25Å; S16-R319 PolarHBondContact OG-NH2 2.99Å; D39-R319 IonicContact OD2-CZ 3.57Å; D39-R319 IonicContact OD2-NH1 3.91Å; D39-R319 PolarHBondContact OD2-NH1 2.83Å; D39-R319 IonicContact OD2-NH2 3.72Å; D39-R319 PolarHBondContact OD2-NH2 2.68Å; V250-R319 PolarHBondContact O-N 2.67Å; V250-R319 VanDerWaalsContact O-N 3.08Å; Y251-R319 HydrophobicContact CD2-CB 3.68Å; Y251-R319 HydrophobicContact CD2-CG 3.98Å; Y251-R319 HydrophobicContact CE2-CB 3.95Å; Y251-R319 HydrophobicContact CE2-CG 3.71Å; Y251-R319 HydrophobicContact CG-CB 4.36Å; R255-R319 WeakPolarHBondContact CG-O 3.29Å; R255-R319 VanDerWaalsContact NH1-CZ 3.32Å; F299-R319 WeakPolarHBondContact CZ-O 3.45Å; R319-I323 HydrophobicContact CG-CD1 4Å; R319-R325 VanDerWaalsContact CZ-NH2 3.34Å
320P98.5Very high98.1Very high25 Ų2537.1 Ų37.116%0.16221%0.209CC..  trans-68.3170.4175.631.6-37.1000112H298 F299 I318 G322 I323H298-P320 HydrophobicContact CB-CB 3.76Å; F299-P320 HydrophobicContact CE2-CB 4.17Å; I318-P320 WeakPolarHBondContact O-CD 3.41Å; P320-G322 WeakPolarHBondContact CB-O 3.35Å; P320-G322 WeakPolarHBondContact CG-O 3.24Å; P320-I323 HydrophobicContact CG-CB 4.33Å; P320-I323 HydrophobicContact CG-CD1 4.2Å; P320-I323 HydrophobicContact CG-CG1 4.17Å
321I98.6Very high98.1Very high0 Ų036.5 Ų36.50%020%0.202CC..SBendtrans-87.5-56.7178.5-61.6174.7000109.9T18 N37 R255 V294 L295 S297 N326T18-I321 HydrophobicContact CG2-CD1 4.4Å; T18-I321 HydrophobicContact CG2-CG1 4.27Å; T18-I321 HydrophobicContact CG2-CG2 3.96Å; N37-I321 PolarHBondContact ND2-O 3.2Å; R255-I321 HydrophobicContact CB-CD1 3.95Å; R255-I321 HydrophobicContact CB-CG1 3.74Å; R255-I321 HydrophobicContact CG-CD1 4.33Å; R255-I321 HydrophobicContact CG-CG1 3.61Å; V294-I321 HydrophobicContact CG1-CD1 4.16Å; V294-I321 VanDerWaalsContact O-CG2 3.26Å; V294-I321 WeakPolarHBondContact O-CG2 3.38Å; L295-I321 HydrophobicContact CD2-CG2 4.32Å; S297-I321 WeakPolarHBondContact O-CA 3.42Å; S297-I321 WeakPolarHBondContact O-CB 3.35Å; S297-I321 PolarHBondContact O-N 3.49Å; I321-N326 PolarHBondContact O-ND2 3.14Å
322G98.4Very high98.2Very high4 Ų432.7 Ų32.74%0.04118%0.179CC..SBendtrans-70123.8162.300000109.1S297 P320S297-G322 PolarHBondContact O-N 3.09Å; P320-G322 WeakPolarHBondContact CB-O 3.35Å; P320-G322 WeakPolarHBondContact CG-O 3.24Å
323I98.3Very high98.2Very high25 Ų2526.7 Ų26.713%0.12815%0.151CC..  trans-149.1154.4-169.4-163.9164.4000111.1D39 R319 P320 R325 N326 A352D39-I323 HydrophobicContact CB-CG2 4.36Å; R319-I323 HydrophobicContact CG-CD1 4Å; P320-I323 HydrophobicContact CG-CB 4.33Å; P320-I323 HydrophobicContact CG-CD1 4.2Å; P320-I323 HydrophobicContact CG-CG1 4.17Å; I323-R325 HydrophobicContact CD1-CG 4.49Å; I323-R325 HydrophobicContact CG1-CG 4.29Å; I323-R325 HydrophobicContact CG2-CG 3.82Å; I323-R325 PolarHBondContact O-N 3.06Å; I323-N326 PolarHBondContact N-OD1 2.81Å; I323-N326 VanDerWaalsContact O-CG 3.32Å; I323-N326 PolarHBondContact O-N 2.87Å; I323-N326 PolarHBondContact O-OD1 3.32Å; I323-A352 WeakPolarHBondContact O-CA 3.16Å; I323-A352 VanDerWaalsContact O-CB 3.24Å; I323-A352 WeakPolarHBondContact O-CB 3.43Å
324N96.9Very high98.2Very high106 Ų10623.2 Ų23.257%0.56712%0.122SC*.THydrogen-bonded Turntrans-55.9-8.6-177.876.9-47.7000116
325R96.1Very high98.3Very high29 Ų2921.9 Ų21.911%0.10912%0.115CC..THydrogen-bonded Turntrans-121.510.9-175.862.9-176.8-170.278.813.1113.8S16 D39 G40 Y251 R319 I323 H327S16-R325 PolarHBondContact O-NH1 3.03Å; S16-R325 PolarHBondContact OG-NH2 3.2Å; D39-R325 WeakPolarHBondContact CA-O 3.17Å; D39-R325 HydrophobicContact CB-CG 4.07Å; D39-R325 VanDerWaalsContact CB-O 3.29Å; D39-R325 WeakPolarHBondContact CB-O 3.47Å; D39-R325 PolarHBondContact O-NH1 3.41Å; G40-R325 PolarHBondContact N-O 3.2Å; G40-R325 WeakPolarHBondContact O-CD 3.38Å; G40-R325 PolarHBondContact O-NH1 2.76Å; Y251-R325 PolarHBondContact OH-NH2 3.1Å; Y251-R325 VanDerWaalsContact OH-NH2 3.09Å; R319-R325 VanDerWaalsContact CZ-NH2 3.34Å; I323-R325 HydrophobicContact CD1-CG 4.49Å; I323-R325 HydrophobicContact CG1-CG 4.29Å; I323-R325 HydrophobicContact CG2-CG 3.82Å; I323-R325 PolarHBondContact O-N 3.06Å; R325-H327 PolarHBondContact O-CD2 2.85Å; R325-H327 PolarHBondContact O-N 2.74Å; R325-H327 VanDerWaalsContact O-N 3.12Å
326N98.3Very high98.3Very high1 Ų121.8 Ų21.81%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-57.4116.6162.6-53.4127.6000107N37 D39 I321 I323 G351 N353N37-N326 PolarHBondContact ND2-ND2 2.78Å; D39-N326 VanDerWaalsContact OD1-CA 3.32Å; D39-N326 WeakPolarHBondContact OD1-CA 3.2Å; D39-N326 PolarHBondContact OD1-ND2 2.67Å; I321-N326 PolarHBondContact O-ND2 3.14Å; I323-N326 PolarHBondContact N-OD1 2.81Å; I323-N326 VanDerWaalsContact O-CG 3.32Å; I323-N326 PolarHBondContact O-N 2.87Å; I323-N326 PolarHBondContact O-OD1 3.32Å; N326-G351 WeakPolarHBondContact CB-O 3.41Å; N326-G351 CarbonylContact O-C 3.54Å; N326-G351 WeakPolarHBondContact O-CA 3.46Å; N326-N353 PolarHBondContact OD1-N 2.92Å
327H97.3Very high98.2Very high10 Ų1024.4 Ų24.45%0.04613%0.127CC..EExtended strand (participates in β ladder)trans-87.8-51177.8-68.4176.8000109.4D38 G40 E42 D45 Q47 R325 Y350 G351D38-H327 WeakPolarHBondContact O-CB 3.36Å; D38-H327 PolarHBondContact O-N 3.44Å; G40-H327 VanDerWaalsContact CA-CE1 3.44Å; G40-H327 WeakPolarHBondContact CA-CE1 3.37Å; E42-H327 PolarHBondContact O-NE2 2.86Å; D45-H327 WeakPolarHBondContact CB-CE1 3.42Å; D45-H327 PolarHBondContact N-NE2 3.4Å; Q47-H327 HydrophobicContact CG-CB 3.66Å; R325-H327 PolarHBondContact O-CD2 2.85Å; R325-H327 PolarHBondContact O-N 2.74Å; R325-H327 VanDerWaalsContact O-N 3.12Å; H327-Y350 WeakPolarHBondContact O-CA 3.36Å; H327-G351 PolarHBondContact O-N 3.24Å; H327-G351 VanDerWaalsContact O-N 3.1Å
328N98.7Very high98.2Very high0 Ų023.1 Ų23.10%012%0.122CC..EExtended strand (participates in β ladder)trans-131.5156.7165.370.376.3000110.6D38 Q47 M82 H330 L348 A349 Y350D38-N328 WeakPolarHBondContact CB-ND2 3.33Å; D38-N328 WeakPolarHBondContact CB-OD1 3.47Å; D38-N328 PolarHBondContact N-O 3.02Å; D38-N328 PolarHBondContact O-N 2.75Å; D38-N328 PolarHBondContact OD2-ND2 2.9Å; Q47-N328 HydrophobicContact CG-CB 4.25Å; Q47-N328 PolarHBondContact OE1-ND2 2.73Å; M82-N328 HydrophobicContact CE-CB 4.25Å; N328-H330 PolarHBondContact OD1-ND1 3.38Å; N328-L348 HydrophobicContact CB-CD1 4.19Å; N328-A349 WeakPolarHBondContact CA-O 3.23Å; N328-Y350 HydrophobicContact CB-CD1 3.83Å; N328-Y350 HydrophobicContact CB-CE1 4.04Å
329V98.8Very high98.2Very high0 Ų025.6 Ų25.60%014%0.139CC..EExtended strand (participates in β ladder)trans-122.7129.1160.357.10000107.9N37 L295 L348 A349 N353 V358N37-V329 WeakPolarHBondContact OD1-CG2 3.39Å; L295-V329 HydrophobicContact CB-CG2 4.32Å; L295-V329 HydrophobicContact CD1-CG2 3.81Å; V329-L348 WeakPolarHBondContact O-CA 3.45Å; V329-A349 HydrophobicContact CG1-CB 3.72Å; V329-A349 PolarHBondContact N-O 2.89Å; V329-A349 PolarHBondContact O-N 2.76Å; V329-N353 WeakPolarHBondContact CG1-OD1 3.1Å; V329-V358 HydrophobicContact CG1-CG1 3.93Å
330H98.9Very high98.2Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-126137.7177.753.8-91.9000110.7S35 R36 A95 S105 N328 L332 W347S35-H330 CarbonylContact C-O 3.56Å; S35-H330 WeakPolarHBondContact CA-O 3.44Å; S35-H330 WeakPolarHBondContact CB-O 3.17Å; R36-H330 WeakPolarHBondContact CB-NE2 3.23Å; R36-H330 PolarHBondContact N-O 3.2Å; R36-H330 PolarHBondContact O-N 3.02Å; A95-H330 WeakPolarHBondContact CB-CD2 3.07Å; A95-H330 WeakPolarHBondContact CB-NE2 3.41Å; S105-H330 PolarHBondContact OG-NE2 3.46Å; N328-H330 PolarHBondContact OD1-ND1 3.38Å; H330-L332 HydrophobicContact CB-CD2 4.33Å; H330-W347 CarbonylContact C-O 3.47Å; H330-W347 VanDerWaalsContact CA-O 3.24Å; H330-W347 WeakPolarHBondContact CA-O 3.33Å
331I99Very high98.2Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-122.199.8171.9-54.6169.3000105.8I33 I288 V291 K292 L295 W347 V358I33-I331 HydrophobicContact CG2-CG2 3.35Å; I288-I331 HydrophobicContact CD1-CG2 3.69Å; I288-I331 HydrophobicContact CG2-CD1 4.02Å; V291-I331 HydrophobicContact CB-CD1 4.14Å; V291-I331 HydrophobicContact CG1-CD1 3.73Å; V291-I331 HydrophobicContact CG1-CG1 3.95Å; V291-I331 HydrophobicContact CG1-CG2 4.27Å; K292-I331 HydrophobicContact CB-CD1 4.11Å; L295-I331 HydrophobicContact CD1-CG1 4.27Å; I331-W347 HydrophobicContact CB-CB 3.93Å; I331-W347 HydrophobicContact CB-CG 4.47Å; I331-W347 PolarHBondContact N-O 3.29Å; I331-W347 VanDerWaalsContact O-CB 3.25Å; I331-W347 WeakPolarHBondContact O-CB 3.46Å; I331-W347 VanDerWaalsContact O-CD1 3.27Å; I331-W347 PolarHBondContact O-N 3.17Å; I331-V358 HydrophobicContact CD1-CG1 4.41Å; I331-V358 HydrophobicContact CD1-CG2 4.25Å
332L99Very high98.2Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-83.5118.6178.9-50.5-172.5000108.4I33 I34 A95 G96 I97 A103 M104 H330 H346I33-L332 WeakPolarHBondContact CA-O 3.48Å; I34-L332 HydrophobicContact CD1-CD1 4.22Å; I34-L332 HydrophobicContact CG1-CB 3.87Å; I34-L332 HydrophobicContact CG1-CD1 4.23Å; I34-L332 HydrophobicContact CG1-CG 4.36Å; I34-L332 PolarHBondContact N-O 3.17Å; I34-L332 PolarHBondContact O-N 2.85Å; A95-L332 HydrophobicContact CB-CD1 4.15Å; G96-L332 VanDerWaalsContact O-CD1 3.29Å; G96-L332 WeakPolarHBondContact O-CD1 3.4Å; I97-L332 HydrophobicContact CD1-CB 4.2Å; I97-L332 HydrophobicContact CD1-CD2 4.36Å; I97-L332 HydrophobicContact CG1-CB 4.22Å; I97-L332 HydrophobicContact CG1-CD1 4.25Å; I97-L332 HydrophobicContact CG1-CD2 4.16Å; I97-L332 HydrophobicContact CG1-CG 4.45Å; A103-L332 HydrophobicContact CB-CB 3.85Å; A103-L332 HydrophobicContact CB-CD1 3.85Å; M104-L332 VanDerWaalsContact O-CD1 3.27Å; M104-L332 WeakPolarHBondContact O-CD1 3.45Å; H330-L332 HydrophobicContact CB-CD2 4.33Å; L332-H346 HydrophobicContact CD2-CB 4.28Å
333Q99Very high98.2Very high1 Ų131.3 Ų31.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-118.4123.6-176.2-175.6-17530.800109.5D29 S31 T32 I33 I288 R335 V345D29-Q333 PolarHBondContact OD2-NE2 2.78Å; S31-Q333 PolarHBondContact OG-NE2 2.81Å; T32-Q333 WeakPolarHBondContact O-CA 3.42Å; I33-Q333 HydrophobicContact CG1-CG 4.35Å; I288-Q333 HydrophobicContact CD1-CB 4.28Å; I288-Q333 HydrophobicContact CD1-CG 4.28Å; Q333-R335 HydrophobicContact CG-CG 3.84Å; Q333-V345 HydrophobicContact CB-CB 4.36Å; Q333-V345 PolarHBondContact N-O 3.1Å; Q333-V345 PolarHBondContact O-N 3.2Å
334I99Very high98.2Very high1 Ų130.2 Ų30.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-104.1107.3167.3-47.7-56.3000108.2S31 T32 I97 N101 A103 Q170 A343S31-I334 WeakPolarHBondContact CA-O 3.41Å; S31-I334 WeakPolarHBondContact CB-O 3.49Å; T32-I334 PolarHBondContact N-O 3.29Å; T32-I334 VanDerWaalsContact N-O 3.1Å; T32-I334 PolarHBondContact O-N 2.75Å; T32-I334 VanDerWaalsContact O-N 3.1Å; T32-I334 WeakPolarHBondContact OG1-CB 3.34Å; I97-I334 HydrophobicContact CD1-CD1 4.09Å; I97-I334 HydrophobicContact CG1-CD1 4.45Å; I97-I334 HydrophobicContact CG2-CD1 3.84Å; N101-I334 HydrophobicContact CB-CD1 4.26Å; N101-I334 HydrophobicContact CB-CG2 4.04Å; N101-I334 WeakPolarHBondContact O-CD1 3.45Å; N101-I334 WeakPolarHBondContact O-CG1 3.33Å; A103-I334 HydrophobicContact CB-CD1 4.05Å; A103-I334 HydrophobicContact CB-CG1 4.24Å; Q170-I334 HydrophobicContact CB-CG2 3.94Å; I334-A343 HydrophobicContact CG2-CB 4.41Å
335R98.9Very high98.3Very high20 Ų2025.1 Ų25.18%0.07514%0.142CC..  trans-82.3132-173.8-59.1-171-58.5163.11.7111.7Q333 V338 I342 A343 V345 D425Q333-R335 HydrophobicContact CG-CG 3.84Å; R335-V338 HydrophobicContact CB-CG2 3.76Å; R335-I342 PolarHBondContact NE-O 3.22Å; R335-I342 PolarHBondContact NH2-O 3.27Å; R335-A343 WeakPolarHBondContact CB-O 3.26Å; R335-A343 WeakPolarHBondContact CG-O 3.49Å; R335-A343 PolarHBondContact N-O 3.35Å; R335-A343 WeakPolarHBondContact O-CB 3.42Å; R335-V345 HydrophobicContact CG-CG2 4.32Å; R335-D425 IonicContact CZ-OD1 2.77Å; R335-D425 IonicContact CZ-OD2 3.84Å; R335-D425 IonicContact NH1-OD1 2.64Å; R335-D425 PolarHBondContact NH1-OD1 2.8Å; R335-D425 IonicContact NH1-OD2 2.69Å; R335-D425 PolarHBondContact NH1-OD2 2.8Å; R335-D425 IonicContact NH2-OD1 2.73Å; R335-D425 PolarHBondContact NH2-OD1 3.35Å; R335-D425 IonicContact NH2-OD2 2.63Å
336N98.2Very high98.5Very high40 Ų4023.8 Ų23.821%0.21414%0.137CC..SBendtrans-90.1162.5168.6-80.5-67.1000111.4G30 Q170 V338G30-N336 PolarHBondContact O-ND2 2.85Å; Q170-N336 PolarHBondContact O-ND2 3.29Å; N336-V338 PolarHBondContact O-N 3.1Å
337N95.5Very high98.5Very high153 Ų15323.7 Ų23.782%0.81814%0.137SC*.SBendtrans64.417.6178.5-44.7-76.2000115.4
338V98.4Very high98.6Very high45 Ų4523.2 Ų23.227%0.27314%0.135SC..SBendtrans-120.4160.3167.8-63.20000109.4R335 N336 I342 A343R335-V338 HydrophobicContact CB-CG2 3.76Å; N336-V338 PolarHBondContact O-N 3.1Å; V338-I342 HydrophobicContact CB-CD1 4.11Å; V338-I342 HydrophobicContact CB-CG1 4.08Å; V338-I342 HydrophobicContact CG2-CG1 4.26Å; V338-A343 HydrophobicContact CG2-CB 4.3Å
339P98.1Very high98.6Very high63 Ų6323.3 Ų23.341%0.40914%0.135SC..  trans-55144.6169.3-24.134.4000112E341 I342 A343 I428P339-E341 WeakPolarHBondContact CB-OE2 3.5Å; P339-E341 PolarHBondContact O-N 3.11Å; P339-E341 VanDerWaalsContact O-N 3.13Å; P339-I342 HydrophobicContact CB-CG1 4.37Å; P339-I342 WeakPolarHBondContact O-CG1 3.43Å; P339-I342 PolarHBondContact O-N 3.22Å; P339-A343 PolarHBondContact O-N 2.89Å; P339-I428 HydrophobicContact CG-CG2 4.22Å
340A98.1Very high98.6Very high63 Ų6323.4 Ų23.452%0.52114%0.135SC..G310 helixtrans-60.4-27.7-174.500000112.5N101 I342 A343N101-A340 PolarHBondContact ND2-O 3.37Å; A340-I342 PolarHBondContact O-N 2.92Å; A340-A343 PolarHBondContact O-N 3.46Å
341E98.2Very high98.5Very high93 Ų9323.4 Ų23.444%0.43514%0.135SC..G310 helixtrans-67.2-14.5179.1-5280.6179.400113.2P339 N364 V434 L438P339-E341 WeakPolarHBondContact CB-OE2 3.5Å; P339-E341 PolarHBondContact O-N 3.11Å; P339-E341 VanDerWaalsContact O-N 3.13Å; E341-N364 VanDerWaalsContact O-CB 3.24Å; E341-N364 WeakPolarHBondContact O-CB 3.2Å; E341-N364 PolarHBondContact O-ND2 2.89Å; E341-V434 HydrophobicContact CB-CG1 3.93Å; E341-L438 WeakPolarHBondContact O-CD1 3.15Å
342I98.8Very high98.5Very high2 Ų224 Ų241%0.0114%0.14CC..G310 helixtrans-128.115.8175.257.8163000113.3R335 V338 P339 A340 Y362 D425 I428 L438R335-I342 PolarHBondContact NE-O 3.22Å; R335-I342 PolarHBondContact NH2-O 3.27Å; V338-I342 HydrophobicContact CB-CD1 4.11Å; V338-I342 HydrophobicContact CB-CG1 4.08Å; V338-I342 HydrophobicContact CG2-CG1 4.26Å; P339-I342 HydrophobicContact CB-CG1 4.37Å; P339-I342 WeakPolarHBondContact O-CG1 3.43Å; P339-I342 PolarHBondContact O-N 3.22Å; A340-I342 PolarHBondContact O-N 2.92Å; I342-Y362 HydrophobicContact CB-CD1 4.14Å; I342-Y362 HydrophobicContact CB-CE1 3.96Å; I342-Y362 HydrophobicContact CG2-CD1 4.09Å; I342-Y362 HydrophobicContact CG2-CE1 4.01Å; I342-D425 HydrophobicContact CD1-CB 4.17Å; I342-D425 WeakPolarHBondContact CD1-OD1 3.24Å; I342-I428 HydrophobicContact CD1-CB 4.29Å; I342-I428 HydrophobicContact CD1-CG1 4.3Å; I342-I428 HydrophobicContact CD1-CG2 3.97Å; I342-I428 HydrophobicContact CG1-CG1 4.43Å; I342-I428 HydrophobicContact CG2-CD1 3.59Å; I342-I428 HydrophobicContact CG2-CG1 3.76Å; I342-L438 HydrophobicContact CG2-CD1 3.78Å; I342-L438 HydrophobicContact CG2-CD2 3.69Å; I342-L438 HydrophobicContact CG2-CG 4.33Å
343A98.9Very high98.5Very high6 Ų624 Ų245%0.0514%0.14CC..THydrogen-bonded Turntrans-69.9-48.1-18000000111.9I334 R335 V338 P339 A340I334-A343 HydrophobicContact CG2-CB 4.41Å; R335-A343 WeakPolarHBondContact CB-O 3.26Å; R335-A343 WeakPolarHBondContact CG-O 3.49Å; R335-A343 PolarHBondContact N-O 3.35Å; R335-A343 WeakPolarHBondContact O-CB 3.42Å; V338-A343 HydrophobicContact CG2-CB 4.3Å; P339-A343 PolarHBondContact O-N 2.89Å; A340-A343 PolarHBondContact O-N 3.46Å
344G98.9Very high98.5Very high1 Ų124.2 Ų24.21%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-73.8122.5179.100000114N101 S363N101-G344 WeakPolarHBondContact OD1-CA 3.46Å; N101-G344 PolarHBondContact OD1-N 2.87Å; G344-S363 WeakPolarHBondContact CA-OG 3.29Å; G344-S363 PolarHBondContact O-N 3.38Å; G344-S363 VanDerWaalsContact O-N 3.1Å; G344-S363 PolarHBondContact O-OG 2.99Å
345V99Very high98.5Very high0 Ų024.1 Ų24.10%014%0.141CC..EExtended strand (participates in β ladder)trans-126.5118172.8-174.30000109.2Q333 R335 W347 P360 F361Q333-V345 HydrophobicContact CB-CB 4.36Å; Q333-V345 PolarHBondContact N-O 3.1Å; Q333-V345 PolarHBondContact O-N 3.2Å; R335-V345 HydrophobicContact CG-CG2 4.32Å; V345-W347 HydrophobicContact CG1-CD2 4.35Å; V345-W347 HydrophobicContact CG1-CG 4.15Å; V345-W347 PolarHBondContact O-N 3.19Å; V345-P360 HydrophobicContact CG1-CB 3.64Å; V345-F361 CarbonylContact C-O 3.56Å; V345-F361 WeakPolarHBondContact CA-O 3.46Å
346H98.9Very high98.5Very high0 Ų023.2 Ų23.20%014%0.138CC..EExtended strand (participates in β ladder)trans-93.787.7174-165.3143.1000108.2F49 T80 I97 L332 L348 F361F49-H346 HydrophobicContact CE2-CB 4.31Å; F49-H346 AromaticContact CE2-CG 3.9Å; F49-H346 AromaticContact CE2-ND1 3.72Å; F49-H346 HydrophobicContact CZ-CB 4.29Å; T80-H346 PolarHBondContact OG1-ND1 2.69Å; I97-H346 HydrophobicContact CD1-CB 4.26Å; L332-H346 HydrophobicContact CD2-CB 4.28Å; H346-L348 PolarHBondContact O-N 3.26Å; H346-F361 PolarHBondContact N-O 2.89Å; H346-F361 PolarHBondContact O-N 2.9Å
347W99Very high98.5Very high0 Ų021.5 Ų21.50%013%0.129CC..EExtended strand (participates in β ladder)trans-71.2125.6175.5-64.982.5000109.8I288 H330 I331 V345 V358 V359 P360 M414I288-W347 HydrophobicContact CB-CZ2 4.31Å; I288-W347 HydrophobicContact CG1-CZ2 3.89Å; I288-W347 HydrophobicContact CG2-CD2 3.7Å; I288-W347 HydrophobicContact CG2-CE3 3.86Å; I288-W347 HydrophobicContact CG2-CG 4.17Å; I288-W347 HydrophobicContact CG2-CH2 4.26Å; I288-W347 HydrophobicContact CG2-CZ2 4.11Å; I288-W347 HydrophobicContact CG2-CZ3 4.14Å; H330-W347 CarbonylContact C-O 3.47Å; H330-W347 VanDerWaalsContact CA-O 3.24Å; H330-W347 WeakPolarHBondContact CA-O 3.33Å; I331-W347 HydrophobicContact CB-CB 3.93Å; I331-W347 HydrophobicContact CB-CG 4.47Å; I331-W347 PolarHBondContact N-O 3.29Å; I331-W347 VanDerWaalsContact O-CB 3.25Å; I331-W347 WeakPolarHBondContact O-CB 3.46Å; I331-W347 VanDerWaalsContact O-CD1 3.27Å; I331-W347 PolarHBondContact O-N 3.17Å; V345-W347 HydrophobicContact CG1-CD2 4.35Å; V345-W347 HydrophobicContact CG1-CG 4.15Å; V345-W347 PolarHBondContact O-N 3.19Å; W347-V358 HydrophobicContact CB-CB 4.16Å; W347-V358 HydrophobicContact CE3-CB 4.36Å; W347-V358 HydrophobicContact CE3-CG2 3.97Å; W347-V359 VanDerWaalsContact CA-O 3.25Å; W347-V359 WeakPolarHBondContact CA-O 3.1Å; W347-P360 HydrophobicContact CD2-CB 3.69Å; W347-P360 HydrophobicContact CE3-CB 3.6Å; W347-P360 HydrophobicContact CE3-CG 4.15Å; W347-P360 HydrophobicContact CH2-CB 3.64Å; W347-P360 HydrophobicContact CH2-CG 3.99Å; W347-P360 HydrophobicContact CZ2-CB 3.72Å; W347-P360 HydrophobicContact CZ3-CB 3.57Å; W347-P360 HydrophobicContact CZ3-CG 3.77Å; W347-M414 HydrophobicContact CE3-CE 4.35Å; W347-M414 HydrophobicContact CH2-CE 4.27Å; W347-M414 HydrophobicContact CZ3-CE 3.59Å
348L99Very high98.7Very high0 Ų014.2 Ų14.20%09%0.09CC..EExtended strand (participates in β ladder)trans-137139.2-169.9175.463.3000114F49 M82 N328 V329 H346 Y350 V358 V359 F361 Y372F49-L348 HydrophobicContact CB-CD2 3.65Å; F49-L348 HydrophobicContact CD1-CD2 4.15Å; F49-L348 HydrophobicContact CD2-CD2 4.03Å; F49-L348 HydrophobicContact CG-CD2 3.7Å; M82-L348 HydrophobicContact CE-CD1 3.4Å; M82-L348 HydrophobicContact CE-CD2 3.68Å; M82-L348 HydrophobicContact CE-CG 4.18Å; M82-L348 HydrophobicContact SD-CD1 3.67Å; M82-L348 HydrophobicContact SD-CD2 3.65Å; M82-L348 HydrophobicContact SD-CG 4.27Å; N328-L348 HydrophobicContact CB-CD1 4.19Å; V329-L348 WeakPolarHBondContact O-CA 3.45Å; H346-L348 PolarHBondContact O-N 3.26Å; L348-Y350 HydrophobicContact CD1-CD1 4.48Å; L348-Y350 HydrophobicContact CD1-CE1 4.1Å; L348-Y350 HydrophobicContact CD2-CE1 4.42Å; L348-V358 WeakPolarHBondContact O-CA 3.11Å; L348-V359 PolarHBondContact N-O 2.94Å; L348-V359 PolarHBondContact O-N 3.16Å; L348-F361 HydrophobicContact CB-CD2 4.1Å; L348-F361 HydrophobicContact CB-CE2 4.28Å; L348-F361 HydrophobicContact CD2-CD2 4.41Å; L348-F361 HydrophobicContact CD2-CE2 4.29Å; L348-Y372 HydrophobicContact CD2-CD1 3.67Å; L348-Y372 HydrophobicContact CD2-CE1 4.19Å; L348-Y372 HydrophobicContact CG-CD1 4.19Å; L348-Y372 HydrophobicContact CG-CE1 4.21Å
349A98.9Very high98.7Very high2 Ų212.1 Ų12.12%0.0178%0.077CC..EExtended strand (participates in β ladder)trans-142.9170.5161.100000112.2N328 V329 N356 T357 V358N328-A349 WeakPolarHBondContact CA-O 3.23Å; V329-A349 HydrophobicContact CG1-CB 3.72Å; V329-A349 PolarHBondContact N-O 2.89Å; V329-A349 PolarHBondContact O-N 2.76Å; A349-N356 HydrophobicContact CB-CB 4.06Å; A349-T357 WeakPolarHBondContact CB-O 3.09Å; A349-V358 HydrophobicContact CB-CG1 3.98Å
350Y98.8Very high98.7Very high1 Ų19.1 Ų9.10%0.0046%0.058CC..EExtended strand (participates in β ladder)trans-127.1158.7-177.7-66.1-48.6000113.3Q47 R48 F49 M82 H327 N328 L348 N356 Y372 M384 Y385 S388Q47-Y350 HydrophobicContact CB-CD1 3.75Å; Q47-Y350 HydrophobicContact CB-CE1 3.37Å; Q47-Y350 HydrophobicContact CG-CD1 4.4Å; Q47-Y350 HydrophobicContact CG-CE1 4.39Å; R48-Y350 WeakPolarHBondContact CA-OH 3.45Å; F49-Y350 PolarHBondContact N-OH 3.46Å; M82-Y350 HydrophobicContact CE-CE1 3.47Å; M82-Y350 VanDerWaalsContact CE-CE1 3.47Å; M82-Y350 WeakPolarHBondContact CE-OH 3.19Å; H327-Y350 WeakPolarHBondContact O-CA 3.36Å; N328-Y350 HydrophobicContact CB-CD1 3.83Å; N328-Y350 HydrophobicContact CB-CE1 4.04Å; L348-Y350 HydrophobicContact CD1-CD1 4.48Å; L348-Y350 HydrophobicContact CD1-CE1 4.1Å; L348-Y350 HydrophobicContact CD2-CE1 4.42Å; Y350-N356 PolarHBondContact O-ND2 3.39Å; Y350-Y372 AromaticContact CD2-CD1 4Å; Y350-Y372 HydrophobicContact CD2-CD1 4Å; Y350-Y372 HydrophobicContact CD2-CE1 4.17Å; Y350-Y372 AromaticContact CE2-CD1 3.43Å; Y350-Y372 HydrophobicContact CE2-CD1 3.43Å; Y350-Y372 VanDerWaalsContact CE2-CD1 3.43Å; Y350-Y372 HydrophobicContact CE2-CE1 4.06Å; Y350-Y372 HydrophobicContact CE2-CG 4.18Å; Y350-Y372 PolarHBondContact OH-O 2.85Å; Y350-M384 HydrophobicContact CD2-CB 4.16Å; Y350-Y385 HydrophobicContact CD1-CD2 4.09Å; Y350-Y385 AromaticContact CG-CD2 3.96Å; Y350-Y385 HydrophobicContact CG-CD2 3.96Å; Y350-S388 WeakPolarHBondContact O-CB 3.32Å
351G98.1Very high98.8Very high0 Ų06.1 Ų6.10%03%0.033CC..SBendtrans67.9-178.2178.500000113N326 H327 N353 N356 C389N326-G351 WeakPolarHBondContact CB-O 3.41Å; N326-G351 CarbonylContact O-C 3.54Å; N326-G351 WeakPolarHBondContact O-CA 3.46Å; H327-G351 PolarHBondContact O-N 3.24Å; H327-G351 VanDerWaalsContact O-N 3.1Å; G351-N353 PolarHBondContact O-N 3.41Å; G351-N353 PolarHBondContact O-OD1 3.33Å; G351-N356 PolarHBondContact O-ND2 2.88Å; G351-N356 VanDerWaalsContact O-ND2 3.11Å; G351-C389 VanDerWaalsContact CA-SG 3.54Å
352A98.5Very high98.8Very high12 Ų121.7 Ų1.710%0.0991%0.012CC..  trans-55.6126-178.200000112.3I323 T354 A392I323-A352 WeakPolarHBondContact O-CA 3.16Å; I323-A352 VanDerWaalsContact O-CB 3.24Å; I323-A352 WeakPolarHBondContact O-CB 3.43Å; A352-T354 PolarHBondContact O-N 2.84Å; A352-A392 HydrophobicContact CB-CB 3.82Å
353N98.7Very high98.8Very high0 Ų01.9 Ų1.90%01%0.014CC..G310 helixtrans-67.6-7.1-165.2-76.4-12.5000116N37 K292 L295 S296 N326 V329 G351 F355 N356N37-N353 PolarHBondContact ND2-ND2 3.33Å; N37-N353 PolarHBondContact OD1-ND2 2.87Å; K292-N353 PolarHBondContact NZ-O 3.08Å; L295-N353 PolarHBondContact O-ND2 2.94Å; S296-N353 PolarHBondContact OG-O 2.91Å; N326-N353 PolarHBondContact OD1-N 2.92Å; V329-N353 WeakPolarHBondContact CG1-OD1 3.1Å; G351-N353 PolarHBondContact O-N 3.41Å; G351-N353 PolarHBondContact O-OD1 3.33Å; N353-F355 VanDerWaalsContact C-N 3.3Å; N353-F355 PolarHBondContact O-N 3.21Å; N353-N356 WeakPolarHBondContact CA-OD1 3.34Å; N353-N356 PolarHBondContact O-OD1 3.24Å; N353-N356 PolarHBondContact OD1-ND2 2.86Å
354T98.5Very high98.8Very high6 Ų62.8 Ų2.84%0.0372%0.018CC..G310 helixtrans-68-24.4-178.745.50000113.7A352 R406A352-T354 PolarHBondContact O-N 2.84Å; T354-R406 WeakPolarHBondContact O-CD 3.4Å; T354-R406 WeakPolarHBondContact O-CG 3.13Å; T354-R406 PolarHBondContact O-NH1 2.79Å
355F98.8Very high98.8Very high0 Ų02.8 Ų2.80%02%0.017CC..G310 helixtrans-133.532.9-177.7-69.7-96.4000113.3N353 T391 A392 G395 Y399 R406 Q453 L456 M460N353-F355 VanDerWaalsContact C-N 3.3Å; N353-F355 PolarHBondContact O-N 3.21Å; F355-T391 HydrophobicContact CB-CG2 4.04Å; F355-T391 HydrophobicContact CD1-CG2 4.48Å; F355-A392 HydrophobicContact CB-CB 4.12Å; F355-A392 HydrophobicContact CD2-CB 4.35Å; F355-G395 VanDerWaalsContact CE2-CA 3.49Å; F355-G395 VanDerWaalsContact CZ-CA 3.41Å; F355-Y399 AromaticContact CE2-CD2 3.92Å; F355-Y399 HydrophobicContact CE2-CD2 3.92Å; F355-Y399 HydrophobicContact CE2-CE2 4.13Å; F355-Y399 HydrophobicContact CZ-CD2 4.08Å; F355-Y399 HydrophobicContact CZ-CE2 4.35Å; F355-R406 HydrophobicContact CD1-CB 3.83Å; F355-R406 HydrophobicContact CD1-CG 3.52Å; F355-R406 HydrophobicContact CE1-CB 3.65Å; F355-R406 HydrophobicContact CE1-CG 3.73Å; F355-R406 HydrophobicContact CG-CG 4Å; F355-R406 HydrophobicContact CZ-CB 4.42Å; F355-R406 HydrophobicContact CZ-CG 4.35Å; F355-Q453 PolarHBondContact O-NE2 3.08Å; F355-L456 HydrophobicContact CD1-CD2 4.47Å; F355-M460 HydrophobicContact CD1-CE 3.88Å; F355-M460 HydrophobicContact CD1-SD 3.93Å; F355-M460 HydrophobicContact CE1-CE 3.74Å; F355-M460 HydrophobicContact CE1-SD 4.1Å; F355-M460 HydrophobicContact CZ-CE 4.47Å
356N98.8Very high98.8Very high1 Ų15.5 Ų5.51%0.0053%0.032CC..  trans-130.1163.2176.274.114.2000111.9K292 A349 Y350 G351 N353K292-N356 WeakPolarHBondContact CE-OD1 3.43Å; K292-N356 PolarHBondContact NZ-O 3.46Å; K292-N356 PolarHBondContact NZ-OD1 2.71Å; A349-N356 HydrophobicContact CB-CB 4.06Å; Y350-N356 PolarHBondContact O-ND2 3.39Å; G351-N356 PolarHBondContact O-ND2 2.88Å; G351-N356 VanDerWaalsContact O-ND2 3.11Å; N353-N356 WeakPolarHBondContact CA-OD1 3.34Å; N353-N356 PolarHBondContact O-OD1 3.24Å; N353-N356 PolarHBondContact OD1-ND2 2.86Å
357T98.9Very high98.8Very high4 Ų48.9 Ų8.93%0.0255%0.05CC..  trans-128.9139.2174.150.70000110.4A349 F409 E410 A413 M414 Y417A349-T357 WeakPolarHBondContact CB-O 3.09Å; T357-F409 HydrophobicContact CG2-CD1 4.07Å; T357-F409 HydrophobicContact CG2-CE1 3.42Å; T357-F409 VanDerWaalsContact CG2-CE1 3.42Å; T357-F409 HydrophobicContact CG2-CZ 3.79Å; T357-E410 HydrophobicContact CG2-CB 4.26Å; T357-E410 HydrophobicContact CG2-CG 3.89Å; T357-A413 HydrophobicContact CG2-CB 3.93Å; T357-M414 HydrophobicContact CG2-CG 4.47Å; T357-Y417 WeakPolarHBondContact OG1-CE2 3.4Å; T357-Y417 PolarHBondContact OG1-OH 3.5Å; T357-Y417 VanDerWaalsContact OG1-OH 3.1Å
358V98.9Very high98.8Very high0 Ų09.4 Ų9.40%05%0.053CC..  trans-77.1129.6177.1-73.40000111.6I288 K292 V329 I331 W347 L348 A349 M414I288-V358 HydrophobicContact CG2-CG2 4.3Å; K292-V358 HydrophobicContact CB-CG2 4.19Å; K292-V358 HydrophobicContact CD-CG1 3.92Å; K292-V358 HydrophobicContact CD-CG2 4.38Å; K292-V358 HydrophobicContact CG-CG2 4.16Å; V329-V358 HydrophobicContact CG1-CG1 3.93Å; I331-V358 HydrophobicContact CD1-CG1 4.41Å; I331-V358 HydrophobicContact CD1-CG2 4.25Å; W347-V358 HydrophobicContact CB-CB 4.16Å; W347-V358 HydrophobicContact CE3-CB 4.36Å; W347-V358 HydrophobicContact CE3-CG2 3.97Å; L348-V358 WeakPolarHBondContact O-CA 3.11Å; A349-V358 HydrophobicContact CB-CG1 3.98Å; V358-M414 HydrophobicContact CG2-CE 4.3Å; V358-M414 HydrophobicContact CG2-SD 4.37Å
359V99Very high98.8Very high0 Ų09.5 Ų9.50%05%0.054CC..EExtended strand (participates in β ladder)trans-102.7126.6-176.9-177.60000110W347 L348 F361 Y372 Y417 L445 S449W347-V359 VanDerWaalsContact CA-O 3.25Å; W347-V359 WeakPolarHBondContact CA-O 3.1Å; L348-V359 PolarHBondContact N-O 2.94Å; L348-V359 PolarHBondContact O-N 3.16Å; V359-F361 VanDerWaalsContact C-N 3.32Å; V359-F361 HydrophobicContact CB-CD2 4.37Å; V359-F361 HydrophobicContact CB-CE1 4.41Å; V359-F361 HydrophobicContact CB-CE2 3.84Å; V359-F361 HydrophobicContact CB-CZ 3.86Å; V359-F361 HydrophobicContact CG1-CD1 4.1Å; V359-F361 HydrophobicContact CG1-CD2 4.39Å; V359-F361 HydrophobicContact CG1-CE1 3.59Å; V359-F361 HydrophobicContact CG1-CE2 3.93Å; V359-F361 HydrophobicContact CG1-CG 4.47Å; V359-F361 HydrophobicContact CG1-CZ 3.5Å; V359-F361 VanDerWaalsContact CG1-CZ 3.5Å; V359-F361 PolarHBondContact O-N 3.03Å; V359-Y372 WeakPolarHBondContact CG2-OH 3.36Å; V359-Y417 HydrophobicContact CG2-CD2 4.4Å; V359-Y417 HydrophobicContact CG2-CE1 4.39Å; V359-Y417 HydrophobicContact CG2-CE2 3.88Å; V359-L445 HydrophobicContact CG1-CB 3.66Å; V359-L445 HydrophobicContact CG1-CD2 4.45Å; V359-L445 HydrophobicContact CG1-CG 4.45Å; V359-S449 WeakPolarHBondContact CG2-OG 3.29Å
360P98.9Very high98.8Very high0 Ų011.8 Ų11.80%07%0.073CC..EExtended strand (participates in β ladder)trans-7869.3-173.530.8-35.2000113.1V345 W347 Y362 L445V345-P360 HydrophobicContact CG1-CB 3.64Å; W347-P360 HydrophobicContact CD2-CB 3.69Å; W347-P360 HydrophobicContact CE3-CB 3.6Å; W347-P360 HydrophobicContact CE3-CG 4.15Å; W347-P360 HydrophobicContact CH2-CB 3.64Å; W347-P360 HydrophobicContact CH2-CG 3.99Å; W347-P360 HydrophobicContact CZ2-CB 3.72Å; W347-P360 HydrophobicContact CZ3-CB 3.57Å; W347-P360 HydrophobicContact CZ3-CG 3.77Å; P360-Y362 PolarHBondContact O-N 3.46Å; P360-L445 HydrophobicContact CG-CD1 4.12Å; P360-L445 HydrophobicContact CG-CD2 3.99Å; P360-L445 VanDerWaalsContact O-CD1 3.24Å; P360-L445 WeakPolarHBondContact O-CD1 3.47Å
361F99Very high98.8Very high0 Ų012.6 Ų12.60%08%0.078CC..EExtended strand (participates in β ladder)trans-67.7129.6176.6-62.5-59.2000111.2F49 V345 H346 L348 V359 S363 P369 Y372 N442 L445 A446F49-F361 AromaticContact CD1-CD2 3.97Å; F49-F361 HydrophobicContact CD1-CD2 3.97Å; F49-F361 HydrophobicContact CD1-CE2 4.32Å; F49-F361 HydrophobicContact CD1-CG 4.39Å; F49-F361 HydrophobicContact CE1-CB 3.65Å; F49-F361 HydrophobicContact CE1-CD1 4.44Å; F49-F361 AromaticContact CE1-CD2 3.57Å; F49-F361 HydrophobicContact CE1-CD2 3.57Å; F49-F361 HydrophobicContact CE1-CE2 4.34Å; F49-F361 AromaticContact CE1-CG 3.64Å; F49-F361 HydrophobicContact CE1-CG 3.64Å; F49-F361 HydrophobicContact CZ-CB 3.84Å; F49-F361 HydrophobicContact CZ-CD2 4.23Å; F49-F361 HydrophobicContact CZ-CG 4.28Å; V345-F361 CarbonylContact C-O 3.56Å; V345-F361 WeakPolarHBondContact CA-O 3.46Å; H346-F361 PolarHBondContact N-O 2.89Å; H346-F361 PolarHBondContact O-N 2.9Å; L348-F361 HydrophobicContact CB-CD2 4.1Å; L348-F361 HydrophobicContact CB-CE2 4.28Å; L348-F361 HydrophobicContact CD2-CD2 4.41Å; L348-F361 HydrophobicContact CD2-CE2 4.29Å; V359-F361 VanDerWaalsContact C-N 3.32Å; V359-F361 HydrophobicContact CB-CD2 4.37Å; V359-F361 HydrophobicContact CB-CE1 4.41Å; V359-F361 HydrophobicContact CB-CE2 3.84Å; V359-F361 HydrophobicContact CB-CZ 3.86Å; V359-F361 HydrophobicContact CG1-CD1 4.1Å; V359-F361 HydrophobicContact CG1-CD2 4.39Å; V359-F361 HydrophobicContact CG1-CE1 3.59Å; V359-F361 HydrophobicContact CG1-CE2 3.93Å; V359-F361 HydrophobicContact CG1-CG 4.47Å; V359-F361 HydrophobicContact CG1-CZ 3.5Å; V359-F361 VanDerWaalsContact CG1-CZ 3.5Å; V359-F361 PolarHBondContact O-N 3.03Å; F361-S363 PolarHBondContact O-N 2.78Å; F361-P369 HydrophobicContact CD1-CG 4.46Å; F361-P369 HydrophobicContact CE1-CG 3.99Å; F361-Y372 AromaticContact CE2-CD1 3.86Å; F361-Y372 HydrophobicContact CE2-CD1 3.86Å; F361-Y372 HydrophobicContact CE2-CD2 4.08Å; F361-Y372 AromaticContact CE2-CE1 3.88Å; F361-Y372 HydrophobicContact CE2-CE1 3.88Å; F361-Y372 HydrophobicContact CE2-CE2 4.1Å; F361-Y372 AromaticContact CE2-CG 3.96Å; F361-Y372 HydrophobicContact CE2-CG 3.96Å; F361-Y372 HydrophobicContact CZ-CD1 4.27Å; F361-Y372 AromaticContact CZ-CD2 3.62Å; F361-Y372 HydrophobicContact CZ-CD2 3.62Å; F361-Y372 HydrophobicContact CZ-CE1 4.25Å; F361-Y372 AromaticContact CZ-CE2 3.61Å; F361-Y372 HydrophobicContact CZ-CE2 3.61Å; F361-Y372 AromaticContact CZ-CG 3.96Å; F361-Y372 HydrophobicContact CZ-CG 3.96Å; F361-Y372 AromaticContact CZ-CZ 3.94Å; F361-N442 WeakPolarHBondContact CA-OD1 3.4Å; F361-N442 HydrophobicContact CD1-CB 3.9Å; F361-L445 HydrophobicContact CD1-CB 4.43Å; F361-L445 HydrophobicContact CE1-CB 4.12Å; F361-A446 HydrophobicContact CE1-CB 4.06Å; F361-A446 HydrophobicContact CZ-CB 4.23Å
362Y99Very high98.8Very high1 Ų112.7 Ų12.70%0.0048%0.079CC..EExtended strand (participates in β ladder)trans-66.1130.9169.3-66.3-86.3000109I342 P360 N364 V365 Q421 T424 D425 L438 A441 N442I342-Y362 HydrophobicContact CB-CD1 4.14Å; I342-Y362 HydrophobicContact CB-CE1 3.96Å; I342-Y362 HydrophobicContact CG2-CD1 4.09Å; I342-Y362 HydrophobicContact CG2-CE1 4.01Å; P360-Y362 PolarHBondContact O-N 3.46Å; Y362-N364 VanDerWaalsContact C-N 3.31Å; Y362-V365 WeakPolarHBondContact O-CG2 3.42Å; Y362-Q421 PolarHBondContact OH-O 3.26Å; Y362-T424 HydrophobicContact CE2-CG2 3.67Å; Y362-T424 WeakPolarHBondContact OH-CB 3.47Å; Y362-T424 WeakPolarHBondContact OH-CG2 3.05Å; Y362-D425 WeakPolarHBondContact CE1-OD1 3.35Å; Y362-D425 PolarHBondContact OH-OD1 2.9Å; Y362-L438 HydrophobicContact CD1-CD2 3.91Å; Y362-L438 HydrophobicContact CD2-CD2 3.96Å; Y362-L438 HydrophobicContact CE1-CD2 4.17Å; Y362-L438 HydrophobicContact CE2-CD2 4.24Å; Y362-L438 HydrophobicContact CG-CB 4.49Å; Y362-L438 HydrophobicContact CG-CD1 4.49Å; Y362-L438 HydrophobicContact CG-CD2 3.79Å; Y362-L438 HydrophobicContact CG-CG 4.46Å; Y362-A441 HydrophobicContact CD2-CB 4.29Å; Y362-A441 HydrophobicContact CE2-CB 4.15Å; Y362-N442 PolarHBondContact N-OD1 3.41Å; Y362-N442 PolarHBondContact O-ND2 2.96Å
363S98.9Very high98.8Very high5 Ų514.2 Ų14.24%0.0358%0.083CC..SBendtrans-79.5-14.5178.961.50000113.5G344 F361 V365G344-S363 WeakPolarHBondContact CA-OG 3.29Å; G344-S363 PolarHBondContact O-N 3.38Å; G344-S363 VanDerWaalsContact O-N 3.1Å; G344-S363 PolarHBondContact O-OG 2.99Å; F361-S363 PolarHBondContact O-N 2.78Å; S363-V365 PolarHBondContact O-N 2.71Å
364N98.9Very high98.8Very high26 Ų2618.6 Ų18.614%0.13911%0.106CC..  trans-83.658.5-179.7-171.622.9000113R78 E341 Y362 L438R78-N364 PolarHBondContact NH1-OD1 3.08Å; R78-N364 PolarHBondContact NH2-OD1 2.92Å; E341-N364 VanDerWaalsContact O-CB 3.24Å; E341-N364 WeakPolarHBondContact O-CB 3.2Å; E341-N364 PolarHBondContact O-ND2 2.89Å; Y362-N364 VanDerWaalsContact C-N 3.31Å; N364-L438 HydrophobicContact CB-CD1 3.96Å
365V98.9Very high98.8Very high0 Ų018.5 Ų18.50%011%0.106CC..  trans-132.6160.9-178.3-66.90000110.5V51 R78 Y362 S363 D367 L438 E439 N442V51-V365 HydrophobicContact CG2-CG2 4.01Å; R78-V365 WeakPolarHBondContact CD-O 3.45Å; R78-V365 VanDerWaalsContact CZ-O 3.3Å; R78-V365 PolarHBondContact NE-O 3.09Å; R78-V365 PolarHBondContact NH1-O 3.39Å; Y362-V365 WeakPolarHBondContact O-CG2 3.42Å; S363-V365 PolarHBondContact O-N 2.71Å; V365-D367 VanDerWaalsContact CG2-O 3.25Å; V365-D367 WeakPolarHBondContact CG2-O 3.21Å; V365-L438 HydrophobicContact CG1-CB 3.78Å; V365-E439 HydrophobicContact CB-CG 3.66Å; V365-E439 HydrophobicContact CG1-CB 4.49Å; V365-E439 HydrophobicContact CG1-CG 3.68Å; V365-N442 WeakPolarHBondContact CG1-ND2 3.44Å
366N98.7Very high98.7Very high57 Ų5721.9 Ų21.931%0.30513%0.127SC..SBendtrans-99.8-22.5178.2-62.7-34.5000113.3V51 Q53 R78 Q435 E439V51-N366 WeakPolarHBondContact CG1-O 3.3Å; Q53-N366 VanDerWaalsContact NE2-CB 3.29Å; Q53-N366 PolarHBondContact NE2-O 2.92Å; Q53-N366 PolarHBondContact NE2-OD1 3.37Å; R78-N366 PolarHBondContact NH1-OD1 3.5Å; R78-N366 VanDerWaalsContact NH1-OD1 3.09Å; N366-Q435 PolarHBondContact ND2-OE1 2.97Å; N366-Q435 PolarHBondContact OD1-OE1 2.79Å; N366-E439 WeakPolarHBondContact CA-OE1 3.44Å; N366-E439 VanDerWaalsContact CB-OE1 3.31Å; N366-E439 WeakPolarHBondContact CB-OE1 3.47Å; N366-E439 PolarHBondContact N-OE1 3.48Å
367D98.8Very high98.7Very high71 Ų7124.4 Ų24.438%0.3815%0.153SC..SBendtrans-136.1178.2169.3-152.9-6.4000112.3V365 K373 E439V365-D367 VanDerWaalsContact CG2-O 3.25Å; V365-D367 WeakPolarHBondContact CG2-O 3.21Å; D367-K373 VanDerWaalsContact OD1-CE 3.23Å; D367-K373 WeakPolarHBondContact OD1-CE 3.46Å; D367-K373 IonicContact OD1-NZ 2.97Å; D367-K373 PolarHBondContact OD1-NZ 3.08Å; D367-K373 IonicContact OD2-NZ 3.46Å; D367-K373 PolarHBondContact OD2-NZ 3.05Å; D367-E439 PolarHBondContact N-OE1 3.26Å; D367-E439 VanDerWaalsContact N-OE1 3.16Å
368T98.9Very high98.6Very high11 Ų1129 Ų297%0.06718%0.182CC..  trans-131.3148.1-170.646.70000111.2F49 V51 A370 K373F49-T368 HydrophobicContact CD1-CG2 3.5Å; F49-T368 VanDerWaalsContact CD1-CG2 3.5Å; F49-T368 HydrophobicContact CD2-CG2 4.27Å; F49-T368 HydrophobicContact CE1-CG2 3.61Å; F49-T368 HydrophobicContact CE2-CG2 4.38Å; F49-T368 HydrophobicContact CG-CG2 3.85Å; F49-T368 HydrophobicContact CZ-CG2 4.06Å; F49-T368 PolarHBondContact O-OG1 3.02Å; V51-T368 HydrophobicContact CG2-CG2 3.97Å; T368-A370 PolarHBondContact O-N 2.81Å; T368-K373 WeakPolarHBondContact OG1-CD 3.46Å; T368-K373 WeakPolarHBondContact OG1-CG 3.5Å
369P98.9Very high98.6Very high3 Ų334.8 Ų34.82%0.01921%0.207CC..  trans-58.3134-177.7-29.338000114.1F361 C371 Y372 K373 N442 E443 A446F361-P369 HydrophobicContact CD1-CG 4.46Å; F361-P369 HydrophobicContact CE1-CG 3.99Å; P369-C371 VanDerWaalsContact C-N 3.31Å; P369-C371 PolarHBondContact O-N 2.83Å; P369-Y372 PolarHBondContact O-N 2.82Å; P369-K373 WeakPolarHBondContact O-CB 3.44Å; P369-K373 PolarHBondContact O-N 2.64Å; P369-N442 HydrophobicContact CG-CB 4.01Å; P369-E443 WeakPolarHBondContact CA-OE2 3.35Å; P369-E443 VanDerWaalsContact CB-OE2 3.3Å; P369-E443 WeakPolarHBondContact CB-OE2 3.47Å; P369-A446 HydrophobicContact CB-CB 3.35Å; P369-A446 HydrophobicContact CG-CB 3.72Å
370A98.7Very high98.5Very high49 Ų4938.1 Ų38.141%0.40523%0.225SC..Hα-helixtrans-55.4-41.1-17200000113.5T368 Y372 K373 D374T368-A370 PolarHBondContact O-N 2.81Å; A370-Y372 PolarHBondContact O-N 2.77Å; A370-Y372 VanDerWaalsContact O-N 3.16Å; A370-K373 PolarHBondContact O-N 3.27Å; A370-K373 VanDerWaalsContact O-N 3.15Å; A370-D374 WeakPolarHBondContact CB-OD2 3.13Å; A370-D374 WeakPolarHBondContact O-CB 3.41Å; A370-D374 PolarHBondContact O-N 3.43Å
371C98.6Very high98.5Very high18 Ų1841.2 Ų41.212%0.12224%0.241CC..Hα-helixtrans-68.2-13179.969.30000114P369 N383 M384 L450P369-C371 VanDerWaalsContact C-N 3.31Å; P369-C371 PolarHBondContact O-N 2.83Å; C371-N383 PolarHBondContact O-ND2 3.22Å; C371-N383 VanDerWaalsContact O-ND2 3.15Å; C371-M384 HydrophobicContact CB-CG 4.47Å; C371-M384 WeakPolarHBondContact O-CB 3.17Å; C371-M384 PolarHBondContact O-N 3.43Å; C371-L450 HydrophobicContact CB-CD2 4.04Å
372Y98.9Very high98.5Very high2 Ų246.8 Ų46.81%0.00827%0.271CS..Hα-helixtrans-104.2-22.8169.9-81.8-96.9000113.8F49 L348 Y350 V359 F361 P369 A370 M384 A446 S449F49-Y372 PolarHBondContact N-O 3.25Å; L348-Y372 HydrophobicContact CD2-CD1 3.67Å; L348-Y372 HydrophobicContact CD2-CE1 4.19Å; L348-Y372 HydrophobicContact CG-CD1 4.19Å; L348-Y372 HydrophobicContact CG-CE1 4.21Å; Y350-Y372 AromaticContact CD2-CD1 4Å; Y350-Y372 HydrophobicContact CD2-CD1 4Å; Y350-Y372 HydrophobicContact CD2-CE1 4.17Å; Y350-Y372 AromaticContact CE2-CD1 3.43Å; Y350-Y372 HydrophobicContact CE2-CD1 3.43Å; Y350-Y372 VanDerWaalsContact CE2-CD1 3.43Å; Y350-Y372 HydrophobicContact CE2-CE1 4.06Å; Y350-Y372 HydrophobicContact CE2-CG 4.18Å; Y350-Y372 PolarHBondContact OH-O 2.85Å; V359-Y372 WeakPolarHBondContact CG2-OH 3.36Å; F361-Y372 AromaticContact CE2-CD1 3.86Å; F361-Y372 HydrophobicContact CE2-CD1 3.86Å; F361-Y372 HydrophobicContact CE2-CD2 4.08Å; F361-Y372 AromaticContact CE2-CE1 3.88Å; F361-Y372 HydrophobicContact CE2-CE1 3.88Å; F361-Y372 HydrophobicContact CE2-CE2 4.1Å; F361-Y372 AromaticContact CE2-CG 3.96Å; F361-Y372 HydrophobicContact CE2-CG 3.96Å; F361-Y372 HydrophobicContact CZ-CD1 4.27Å; F361-Y372 AromaticContact CZ-CD2 3.62Å; F361-Y372 HydrophobicContact CZ-CD2 3.62Å; F361-Y372 HydrophobicContact CZ-CE1 4.25Å; F361-Y372 AromaticContact CZ-CE2 3.61Å; F361-Y372 HydrophobicContact CZ-CE2 3.61Å; F361-Y372 AromaticContact CZ-CG 3.96Å; F361-Y372 HydrophobicContact CZ-CG 3.96Å; F361-Y372 AromaticContact CZ-CZ 3.94Å; P369-Y372 PolarHBondContact O-N 2.82Å; A370-Y372 PolarHBondContact O-N 2.77Å; A370-Y372 VanDerWaalsContact O-N 3.16Å; Y372-M384 HydrophobicContact CD1-CB 4.44Å; Y372-M384 HydrophobicContact CD2-CB 4.26Å; Y372-M384 HydrophobicContact CD2-CG 4.04Å; Y372-M384 HydrophobicContact CE1-CB 4.24Å; Y372-M384 HydrophobicContact CE2-CB 4.03Å; Y372-M384 HydrophobicContact CE2-CG 3.57Å; Y372-M384 HydrophobicContact CG-CB 4.45Å; Y372-A446 HydrophobicContact CD2-CB 4.19Å; Y372-A446 HydrophobicContact CE2-CB 4.35Å; Y372-S449 PolarHBondContact OH-OG 2.66Å
373K98.8Very high98.4Very high45 Ų4547 Ų4720%0.19627%0.272CS..Hα-helixtrans-91-36.7-174.6-176.5-170.1179.5-179.90114.6R48 F49 D367 T368 P369 A370 A375R48-K373 WeakPolarHBondContact CB-O 3.3Å; R48-K373 VanDerWaalsContact CG-O 3.3Å; R48-K373 WeakPolarHBondContact CG-O 3.26Å; R48-K373 PolarHBondContact NE-O 3.45Å; F49-K373 WeakPolarHBondContact O-CA 3.3Å; F49-K373 WeakPolarHBondContact O-CB 3.34Å; D367-K373 VanDerWaalsContact OD1-CE 3.23Å; D367-K373 WeakPolarHBondContact OD1-CE 3.46Å; D367-K373 IonicContact OD1-NZ 2.97Å; D367-K373 PolarHBondContact OD1-NZ 3.08Å; D367-K373 IonicContact OD2-NZ 3.46Å; D367-K373 PolarHBondContact OD2-NZ 3.05Å; T368-K373 WeakPolarHBondContact OG1-CD 3.46Å; T368-K373 WeakPolarHBondContact OG1-CG 3.5Å; P369-K373 WeakPolarHBondContact O-CB 3.44Å; P369-K373 PolarHBondContact O-N 2.64Å; A370-K373 PolarHBondContact O-N 3.27Å; A370-K373 VanDerWaalsContact O-N 3.15Å; K373-A375 PolarHBondContact O-N 3.06Å
374D98.4Very high98.4Very high91 Ų9146.9 Ų46.949%0.48727%0.271SS..  trans-99.926.9-161.1-64.2-21.8000114.1A370A370-D374 WeakPolarHBondContact CB-OD2 3.13Å; A370-D374 WeakPolarHBondContact O-CB 3.41Å; A370-D374 PolarHBondContact O-N 3.43Å
375A98.3Very high98.4Very high4 Ų445.7 Ų45.73%0.03326%0.264CS..  trans-62.6144.1173.400000110.6P46 Q47 R48 S85 K373 N383P46-A375 HydrophobicContact CB-CB 4.25Å; Q47-A375 WeakPolarHBondContact O-CB 3.43Å; R48-A375 HydrophobicContact CG-CB 4.12Å; S85-A375 WeakPolarHBondContact CB-O 3.48Å; S85-A375 WeakPolarHBondContact OG-CB 3.49Å; S85-A375 PolarHBondContact OG-O 3.38Å; S85-A375 VanDerWaalsContact OG-O 3.06Å; K373-A375 PolarHBondContact O-N 3.06Å; A375-N383 PolarHBondContact N-ND2 2.68Å; A375-N383 VanDerWaalsContact N-ND2 3.14Å
376T97.9Very high98.4Very high72 Ų7247 Ų4744%0.44227%0.269SS..  trans-138.2173.8174.474.40000109.7T378 W386T376-T378 PolarHBondContact O-N 2.69Å; T376-T378 PolarHBondContact OG1-N 2.97Å; T376-T378 VanDerWaalsContact OG1-N 3.1Å; T376-W386 WeakPolarHBondContact O-CZ2 3.24Å; T376-W386 PolarHBondContact O-NE1 3.31Å
377G96.8Very high98.4Very high53 Ų5344.4 Ų44.455%0.54626%0.255SS..SBendtrans-63.80.7169.200000115.4
378T97.9Very high98.4Very high102 Ų10241.1 Ų41.163%0.62624%0.238SC*.SBendtrans-96.9128.6171.2-52.60000109.5T376 D380 W386T376-T378 PolarHBondContact O-N 2.69Å; T376-T378 PolarHBondContact OG1-N 2.97Å; T376-T378 VanDerWaalsContact OG1-N 3.1Å; T378-D380 PolarHBondContact O-N 2.9Å; T378-W386 PolarHBondContact O-NE1 2.83Å
379F98.3Very high98.4Very high121 Ų12141.2 Ų41.253%0.53124%0.239SC..  trans-64.2121.7176.5-179.5-96.2000111.4L381 W386 A390F379-L381 HydrophobicContact CE1-CD1 4.21Å; F379-L381 HydrophobicContact CE1-CD2 4.11Å; F379-L381 HydrophobicContact CE1-CG 3.74Å; F379-L381 HydrophobicContact CE2-CD2 4.39Å; F379-L381 HydrophobicContact CZ-CD1 4.39Å; F379-L381 HydrophobicContact CZ-CD2 3.59Å; F379-L381 HydrophobicContact CZ-CG 3.78Å; F379-W386 HydrophobicContact CD2-CB 3.98Å; F379-W386 AromaticContact CD2-CD2 3.79Å; F379-W386 HydrophobicContact CD2-CD2 3.79Å; F379-W386 AromaticContact CD2-CE3 3.61Å; F379-W386 HydrophobicContact CD2-CE3 3.61Å; F379-W386 AromaticContact CD2-CG 3.98Å; F379-W386 HydrophobicContact CD2-CG 3.98Å; F379-W386 HydrophobicContact CD2-CZ3 4.32Å; F379-W386 HydrophobicContact CE2-CB 4Å; F379-W386 HydrophobicContact CE2-CE3 4.21Å; F379-W386 HydrophobicContact CE2-CG 4.48Å; F379-A390 HydrophobicContact CZ-CB 4.44Å
380D98.4Very high98.4Very high70 Ų7042 Ų4237%0.37425%0.245SC..  trans-143.5114179178.915.5000111.2T378 N382 N383 W386T378-D380 PolarHBondContact O-N 2.9Å; D380-N382 PolarHBondContact O-N 3.04Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.1Å; D380-N382 PolarHBondContact OD1-ND2 3.06Å; D380-N383 PolarHBondContact O-N 3.21Å; D380-N383 VanDerWaalsContact O-N 3.08Å; D380-W386 VanDerWaalsContact N-CD1 3.31Å; D380-W386 WeakPolarHBondContact O-CB 3.41Å
381L98.1Very high98.4Very high65 Ų6539.6 Ų39.634%0.3423%0.226SC..THydrogen-bonded Turntrans-70.8-8179.5-72.5173.4000114.3F379 N383 L387 A390 F457F379-L381 HydrophobicContact CE1-CD1 4.21Å; F379-L381 HydrophobicContact CE1-CD2 4.11Å; F379-L381 HydrophobicContact CE1-CG 3.74Å; F379-L381 HydrophobicContact CE2-CD2 4.39Å; F379-L381 HydrophobicContact CZ-CD1 4.39Å; F379-L381 HydrophobicContact CZ-CD2 3.59Å; F379-L381 HydrophobicContact CZ-CG 3.78Å; L381-N383 VanDerWaalsContact C-N 3.26Å; L381-L387 HydrophobicContact CD2-CB 4.45Å; L381-L387 HydrophobicContact CD2-CD1 3.99Å; L381-A390 HydrophobicContact CD2-CB 3.95Å; L381-F457 HydrophobicContact CD1-CE1 4.4Å
382N97.8Very high98.4Very high117 Ų11739 Ų3963%0.62622%0.222SC*.THydrogen-bonded Turntrans-79-13.4169.9-54.8-77.5000112.2D380D380-N382 PolarHBondContact O-N 3.04Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.1Å; D380-N382 PolarHBondContact OD1-ND2 3.06Å
383N98.7Very high98.4Very high5 Ų544.7 Ų44.73%0.02725%0.252CS..SBendtrans-96.6134.7174.7-176.1-82.2000111C371 A375 D380 L381 Y385 W386 L387C371-N383 PolarHBondContact O-ND2 3.22Å; C371-N383 VanDerWaalsContact O-ND2 3.15Å; A375-N383 PolarHBondContact N-ND2 2.68Å; A375-N383 VanDerWaalsContact N-ND2 3.14Å; D380-N383 PolarHBondContact O-N 3.21Å; D380-N383 VanDerWaalsContact O-N 3.08Å; L381-N383 VanDerWaalsContact C-N 3.26Å; N383-Y385 VanDerWaalsContact C-N 3.27Å; N383-Y385 PolarHBondContact O-N 2.95Å; N383-Y385 VanDerWaalsContact OD1-CB 3.26Å; N383-Y385 WeakPolarHBondContact OD1-CB 3.37Å; N383-Y385 PolarHBondContact OD1-N 3.39Å; N383-W386 PolarHBondContact O-N 2.78Å; N383-L387 WeakPolarHBondContact O-CB 3.46Å; N383-L387 PolarHBondContact O-N 3.17Å
384M98.8Very high98.4Very high3 Ų344.4 Ų44.42%0.01525%0.252CS..Hα-helixtrans-64.5-26.7-174.7-82.4-62.8-62.400113.9Y350 C371 Y372 L387 S388 S449 L450 Q453Y350-M384 HydrophobicContact CD2-CB 4.16Å; C371-M384 HydrophobicContact CB-CG 4.47Å; C371-M384 WeakPolarHBondContact O-CB 3.17Å; C371-M384 PolarHBondContact O-N 3.43Å; Y372-M384 HydrophobicContact CD1-CB 4.44Å; Y372-M384 HydrophobicContact CD2-CB 4.26Å; Y372-M384 HydrophobicContact CD2-CG 4.04Å; Y372-M384 HydrophobicContact CE1-CB 4.24Å; Y372-M384 HydrophobicContact CE2-CB 4.03Å; Y372-M384 HydrophobicContact CE2-CG 3.57Å; Y372-M384 HydrophobicContact CG-CB 4.45Å; M384-L387 HydrophobicContact SD-CD2 4.09Å; M384-S388 VanDerWaalsContact O-CB 3.22Å; M384-S388 WeakPolarHBondContact O-CB 3.41Å; M384-S388 PolarHBondContact O-N 3.44Å; M384-S388 PolarHBondContact O-OG 3.5Å; M384-S449 WeakPolarHBondContact CE-OG 3.45Å; M384-L450 HydrophobicContact CG-CD1 4.25Å; M384-L450 HydrophobicContact SD-CB 4.21Å; M384-L450 HydrophobicContact SD-CD1 3.86Å; M384-Q453 HydrophobicContact CE-CB 3.86Å; M384-Q453 HydrophobicContact CE-CG 3.94Å; M384-Q453 HydrophobicContact SD-CB 3.97Å; M384-Q453 HydrophobicContact SD-CG 4.27Å
385Y98.8Very high98.4Very high0 Ų040.1 Ų40.10%023%0.229CC..Hα-helixtrans-62.1-57.6175.3177.4-88.2000110.3L44 D45 P46 Q47 Y350 N383 L387 S388 C389L44-Y385 WeakPolarHBondContact CA-OH 3.2Å; D45-Y385 PolarHBondContact N-OH 3.04Å; D45-Y385 PolarHBondContact O-OH 3.01Å; P46-Y385 VanDerWaalsContact CA-CE1 3.49Å; P46-Y385 HydrophobicContact CB-CD1 3.83Å; P46-Y385 HydrophobicContact CB-CE1 3.87Å; P46-Y385 HydrophobicContact CB-CG 4.39Å; Q47-Y385 HydrophobicContact CB-CD2 3.9Å; Q47-Y385 HydrophobicContact CB-CE2 4.23Å; Q47-Y385 HydrophobicContact CG-CD2 4.06Å; Q47-Y385 HydrophobicContact CG-CE2 3.88Å; Y350-Y385 HydrophobicContact CD1-CD2 4.09Å; Y350-Y385 AromaticContact CG-CD2 3.96Å; Y350-Y385 HydrophobicContact CG-CD2 3.96Å; N383-Y385 VanDerWaalsContact C-N 3.27Å; N383-Y385 PolarHBondContact O-N 2.95Å; N383-Y385 VanDerWaalsContact OD1-CB 3.26Å; N383-Y385 WeakPolarHBondContact OD1-CB 3.37Å; N383-Y385 PolarHBondContact OD1-N 3.39Å; Y385-L387 PolarHBondContact O-N 3.06Å; Y385-S388 PolarHBondContact O-N 2.96Å; Y385-C389 WeakPolarHBondContact O-CB 3.39Å; Y385-C389 PolarHBondContact O-N 3.1Å; Y385-C389 PolarHBondContact O-SG 2.83Å
386W98.7Very high98.4Very high28 Ų2844 Ų4411%0.10625%0.249CC..Hα-helixtrans-68.5-37.4-176.5-66.9120.1000112.6L44 P46 T376 T378 F379 D380 N383 A390L44-W386 HydrophobicContact CD1-CZ3 4.18Å; P46-W386 HydrophobicContact CB-CZ2 3.91Å; P46-W386 HydrophobicContact CG-CH2 4.38Å; P46-W386 HydrophobicContact CG-CZ2 3.92Å; T376-W386 WeakPolarHBondContact O-CZ2 3.24Å; T376-W386 PolarHBondContact O-NE1 3.31Å; T378-W386 PolarHBondContact O-NE1 2.83Å; F379-W386 HydrophobicContact CD2-CB 3.98Å; F379-W386 AromaticContact CD2-CD2 3.79Å; F379-W386 HydrophobicContact CD2-CD2 3.79Å; F379-W386 AromaticContact CD2-CE3 3.61Å; F379-W386 HydrophobicContact CD2-CE3 3.61Å; F379-W386 AromaticContact CD2-CG 3.98Å; F379-W386 HydrophobicContact CD2-CG 3.98Å; F379-W386 HydrophobicContact CD2-CZ3 4.32Å; F379-W386 HydrophobicContact CE2-CB 4Å; F379-W386 HydrophobicContact CE2-CE3 4.21Å; F379-W386 HydrophobicContact CE2-CG 4.48Å; D380-W386 VanDerWaalsContact N-CD1 3.31Å; D380-W386 WeakPolarHBondContact O-CB 3.41Å; N383-W386 PolarHBondContact O-N 2.78Å; W386-A390 VanDerWaalsContact O-CB 3.28Å; W386-A390 WeakPolarHBondContact O-CB 3.23Å; W386-A390 PolarHBondContact O-N 3.12Å
387L98.9Very high98.4Very high3 Ų345.1 Ų45.12%0.01626%0.256CS..Hα-helixtrans-64.2-44.8176.9-178.763000112.2L381 N383 M384 Y385 A390 T391 L450 Q453 T454 F457L381-L387 HydrophobicContact CD2-CB 4.45Å; L381-L387 HydrophobicContact CD2-CD1 3.99Å; N383-L387 WeakPolarHBondContact O-CB 3.46Å; N383-L387 PolarHBondContact O-N 3.17Å; M384-L387 HydrophobicContact SD-CD2 4.09Å; Y385-L387 PolarHBondContact O-N 3.06Å; L387-A390 PolarHBondContact O-N 2.61Å; L387-T391 WeakPolarHBondContact O-CB 3.24Å; L387-T391 PolarHBondContact O-N 2.65Å; L387-T391 PolarHBondContact O-OG1 2.99Å; L387-L450 HydrophobicContact CD2-CD1 3.73Å; L387-Q453 HydrophobicContact CD2-CB 3.85Å; L387-Q453 HydrophobicContact CD2-CG 3.74Å; L387-Q453 HydrophobicContact CG-CB 4.4Å; L387-Q453 HydrophobicContact CG-CG 3.73Å; L387-T454 WeakPolarHBondContact CD2-OG1 3.44Å; L387-F457 HydrophobicContact CD1-CB 4.15Å; L387-F457 HydrophobicContact CD1-CD1 4.17Å; L387-F457 HydrophobicContact CD1-CG 4.18Å
388S98.8Very high98.5Very high2 Ų246.6 Ų46.61%0.01425%0.252CS..Hα-helixtrans-65-44.9177.6-53.30000111Y350 M384 Y385 A390 T391 A392Y350-S388 WeakPolarHBondContact O-CB 3.32Å; M384-S388 VanDerWaalsContact O-CB 3.22Å; M384-S388 WeakPolarHBondContact O-CB 3.41Å; M384-S388 PolarHBondContact O-N 3.44Å; M384-S388 PolarHBondContact O-OG 3.5Å; Y385-S388 PolarHBondContact O-N 2.96Å; S388-A390 PolarHBondContact O-N 2.81Å; S388-T391 PolarHBondContact O-N 3.03Å; S388-A392 PolarHBondContact O-N 3.37Å
389C98.7Very high98.5Very high12 Ų1242.6 Ų42.68%0.08123%0.225CC..Hα-helixtrans-58.6-44.5175-65.10000112.5L44 G351 Y385 T391 L393L44-C389 HydrophobicContact CD2-CB 3.73Å; L44-C389 WeakPolarHBondContact CD2-SG 3.42Å; G351-C389 VanDerWaalsContact CA-SG 3.54Å; Y385-C389 WeakPolarHBondContact O-CB 3.39Å; Y385-C389 PolarHBondContact O-N 3.1Å; Y385-C389 PolarHBondContact O-SG 2.83Å; C389-T391 VanDerWaalsContact C-N 3.35Å; C389-L393 WeakPolarHBondContact O-CB 3.42Å; C389-L393 PolarHBondContact O-N 3.48Å
390A98.7Very high98.5Very high19 Ų1942 Ų4216%0.15723%0.228CC..Hα-helixtrans-65.9-36.6177.500000112.5F379 L381 W386 L387 S388 L394 F457F379-A390 HydrophobicContact CZ-CB 4.44Å; L381-A390 HydrophobicContact CD2-CB 3.95Å; W386-A390 VanDerWaalsContact O-CB 3.28Å; W386-A390 WeakPolarHBondContact O-CB 3.23Å; W386-A390 PolarHBondContact O-N 3.12Å; L387-A390 PolarHBondContact O-N 2.61Å; S388-A390 PolarHBondContact O-N 2.81Å; A390-L394 PolarHBondContact O-N 3.25Å; A390-L394 VanDerWaalsContact O-N 3.12Å; A390-F457 HydrophobicContact CB-CE2 4.11Å; A390-F457 HydrophobicContact CB-CZ 4.37Å
391T98.9Very high98.5Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-66.8-47.8176.7-48.30000111.1F355 L387 S388 C389 L393 L394 G395 Q453 L456 F457 M460F355-T391 HydrophobicContact CB-CG2 4.04Å; F355-T391 HydrophobicContact CD1-CG2 4.48Å; L387-T391 WeakPolarHBondContact O-CB 3.24Å; L387-T391 PolarHBondContact O-N 2.65Å; L387-T391 PolarHBondContact O-OG1 2.99Å; S388-T391 PolarHBondContact O-N 3.03Å; C389-T391 VanDerWaalsContact C-N 3.35Å; T391-L393 PolarHBondContact O-N 3.06Å; T391-L394 PolarHBondContact O-N 3.49Å; T391-G395 PolarHBondContact O-N 2.76Å; T391-Q453 VanDerWaalsContact CB-NE2 3.31Å; T391-Q453 PolarHBondContact OG1-NE2 3.18Å; T391-Q453 VanDerWaalsContact OG1-NE2 3.08Å; T391-L456 HydrophobicContact CG2-CD2 3.8Å; T391-L456 HydrophobicContact CG2-CG 3.95Å; T391-F457 HydrophobicContact CG2-CB 4.48Å; T391-F457 HydrophobicContact CG2-CD2 4.44Å; T391-M460 HydrophobicContact CG2-CE 4.23Å; T391-M460 HydrophobicContact CG2-SD 3.64Å
392A98.7Very high98.5Very high4 Ų438.6 Ų38.63%0.03321%0.207CC..Hα-helixtrans-66.1-37.9179.600000112.5A352 F355 S388 L394 G395 D396A352-A392 HydrophobicContact CB-CB 3.82Å; F355-A392 HydrophobicContact CB-CB 4.12Å; F355-A392 HydrophobicContact CD2-CB 4.35Å; S388-A392 PolarHBondContact O-N 3.37Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-L394 PolarHBondContact O-N 3.08Å; A392-G395 PolarHBondContact O-N 2.98Å; A392-D396 WeakPolarHBondContact O-CB 3.47Å; A392-D396 PolarHBondContact O-N 3.33Å
393L98.6Very high98.5Very high123 Ų12334.2 Ų34.264%0.64418%0.184SC*.Hα-helixtrans-61.4-39.8173.117762.7000112.5C389 T391 T397C389-L393 WeakPolarHBondContact O-CB 3.42Å; C389-L393 PolarHBondContact O-N 3.48Å; T391-L393 PolarHBondContact O-N 3.06Å; L393-T397 WeakPolarHBondContact O-CG2 3.35Å
394L98.6Very high98.5Very high39 Ų3939.4 Ų39.420%0.20421%0.212CC..Hα-helixtrans-67.3-43.2174.6179.159.3000111.1A390 T391 A392 D396 T397 Y402 F457 M460 V461A390-L394 PolarHBondContact O-N 3.25Å; A390-L394 VanDerWaalsContact O-N 3.12Å; T391-L394 PolarHBondContact O-N 3.49Å; A392-L394 VanDerWaalsContact C-N 3.34Å; A392-L394 PolarHBondContact O-N 3.08Å; L394-D396 PolarHBondContact O-N 2.87Å; L394-T397 WeakPolarHBondContact O-CB 3.36Å; L394-T397 PolarHBondContact O-N 2.81Å; L394-T397 PolarHBondContact O-OG1 3.45Å; L394-Y402 HydrophobicContact CD1-CE2 4.42Å; L394-Y402 HydrophobicContact CG-CE2 4.31Å; L394-Y402 WeakPolarHBondContact O-CE2 3.27Å; L394-F457 HydrophobicContact CD2-CD2 4.4Å; L394-F457 HydrophobicContact CD2-CE2 4.19Å; L394-M460 HydrophobicContact CB-CE 4.17Å; L394-M460 HydrophobicContact CD2-CB 3.73Å; L394-M460 HydrophobicContact CD2-CE 4.27Å; L394-M460 HydrophobicContact CG-CE 4.04Å; L394-V461 HydrophobicContact CD2-CG2 3.71Å
395G98.7Very high98.5Very high0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-60.2-39.9178.800000114F355 T391 A392 T397 D398 Y399F355-G395 VanDerWaalsContact CE2-CA 3.49Å; F355-G395 VanDerWaalsContact CZ-CA 3.41Å; T391-G395 PolarHBondContact O-N 2.76Å; A392-G395 PolarHBondContact O-N 2.98Å; G395-T397 PolarHBondContact O-N 3.33Å; G395-D398 CarbonylContact O-C 3.43Å; G395-D398 PolarHBondContact O-N 3.04Å; G395-Y399 VanDerWaalsContact O-CA 3.27Å; G395-Y399 WeakPolarHBondContact O-CA 3.29Å; G395-Y399 PolarHBondContact O-N 2.87Å; G395-Y399 VanDerWaalsContact O-N 3.14Å
396D98.5Very high98.5Very high85 Ų8543.3 Ų43.346%0.45523%0.228SC..Hα-helixtrans-57.5-29.9175.2178.677.9000113.2Y307 A392 L394 D398Y307-D396 WeakPolarHBondContact CE1-OD1 3.28Å; Y307-D396 PolarHBondContact OH-OD1 3.22Å; Y307-D396 VanDerWaalsContact OH-OD1 3.08Å; A392-D396 WeakPolarHBondContact O-CB 3.47Å; A392-D396 PolarHBondContact O-N 3.33Å; L394-D396 PolarHBondContact O-N 2.87Å; D396-D398 VanDerWaalsContact C-N 3.31Å; D396-D398 PolarHBondContact O-N 3.02Å
397T98.1Very high98.4Very high96 Ų9645.1 Ų45.159%0.58924%0.24SC*.THydrogen-bonded Turntrans-67.8-26.4-176.268.10000114.7L393 L394 G395L393-T397 WeakPolarHBondContact O-CG2 3.35Å; L394-T397 WeakPolarHBondContact O-CB 3.36Å; L394-T397 PolarHBondContact O-N 2.81Å; L394-T397 PolarHBondContact O-OG1 3.45Å; G395-T397 PolarHBondContact O-N 3.33Å
398D98Very high98.4Very high84 Ų8448.7 Ų48.745%0.44926%0.262SS..THydrogen-bonded Turntrans-159.270.8175.3-160.4-25.3000109.7G395 D396 N400 F401 Y402G395-D398 CarbonylContact O-C 3.43Å; G395-D398 PolarHBondContact O-N 3.04Å; D396-D398 VanDerWaalsContact C-N 3.31Å; D396-D398 PolarHBondContact O-N 3.02Å; D398-N400 VanDerWaalsContact C-N 3.27Å; D398-N400 PolarHBondContact O-N 3.02Å; D398-F401 HydrophobicContact CB-CB 3.95Å; D398-F401 VanDerWaalsContact CG-CB 3.48Å; D398-F401 WeakPolarHBondContact O-CB 3.43Å; D398-F401 PolarHBondContact O-N 3.19Å; D398-F401 WeakPolarHBondContact OD1-CB 3.35Å; D398-F401 PolarHBondContact OD1-N 2.95Å; D398-Y402 HydrophobicContact CB-CD2 4.44Å; D398-Y402 HydrophobicContact CB-CE2 4.28Å; D398-Y402 VanDerWaalsContact O-CD2 3.23Å; D398-Y402 WeakPolarHBondContact O-CD2 3.45Å; D398-Y402 PolarHBondContact O-N 3.35Å
399Y98.5Very high98.4Very high19 Ų1949.2 Ų49.28%0.07526%0.264CS..Hα-helixtrans-52.6-44.7-173.3-178.7-94.9000112.6H298 Y307 F355 G395 F401 Y402 V403 R406H298-Y399 AromaticContact NE2-CZ 3.6Å; H298-Y399 PolarHBondContact NE2-OH 2.77Å; Y307-Y399 HydrophobicContact CD1-CD2 4.47Å; Y307-Y399 HydrophobicContact CD1-CG 4.02Å; Y307-Y399 HydrophobicContact CD2-CD1 4.02Å; Y307-Y399 AromaticContact CD2-CD2 3.81Å; Y307-Y399 HydrophobicContact CD2-CD2 3.81Å; Y307-Y399 HydrophobicContact CD2-CE1 4.34Å; Y307-Y399 HydrophobicContact CD2-CE2 4.15Å; Y307-Y399 AromaticContact CD2-CG 3.74Å; Y307-Y399 HydrophobicContact CD2-CG 3.74Å; Y307-Y399 HydrophobicContact CE1-CD2 4.48Å; Y307-Y399 HydrophobicContact CE1-CG 4.44Å; Y307-Y399 AromaticContact CE2-CD2 3.83Å; Y307-Y399 HydrophobicContact CE2-CD2 3.83Å; Y307-Y399 HydrophobicContact CE2-CE2 4.16Å; Y307-Y399 HydrophobicContact CE2-CG 4.19Å; Y307-Y399 AromaticContact CG-CD1 3.92Å; Y307-Y399 HydrophobicContact CG-CD1 3.92Å; Y307-Y399 HydrophobicContact CG-CD2 4.13Å; Y307-Y399 AromaticContact CG-CG 3.63Å; Y307-Y399 HydrophobicContact CG-CG 3.63Å; F355-Y399 AromaticContact CE2-CD2 3.92Å; F355-Y399 HydrophobicContact CE2-CD2 3.92Å; F355-Y399 HydrophobicContact CE2-CE2 4.13Å; F355-Y399 HydrophobicContact CZ-CD2 4.08Å; F355-Y399 HydrophobicContact CZ-CE2 4.35Å; G395-Y399 VanDerWaalsContact O-CA 3.27Å; G395-Y399 WeakPolarHBondContact O-CA 3.29Å; G395-Y399 PolarHBondContact O-N 2.87Å; G395-Y399 VanDerWaalsContact O-N 3.14Å; Y399-F401 VanDerWaalsContact C-N 3.26Å; Y399-F401 PolarHBondContact O-N 3.28Å; Y399-Y402 PolarHBondContact O-N 2.77Å; Y399-Y402 VanDerWaalsContact O-N 3.11Å; Y399-V403 HydrophobicContact CD1-CB 4.37Å; Y399-V403 HydrophobicContact CE1-CB 4.08Å; Y399-V403 HydrophobicContact CE1-CG2 3.77Å; Y399-V403 WeakPolarHBondContact O-CB 3.31Å; Y399-V403 PolarHBondContact O-N 2.71Å; Y399-R406 PolarHBondContact OH-NH1 2.91Å; Y399-R406 PolarHBondContact OH-NH2 3.1Å
400N97.7Very high98.4Very high108 Ų10850.8 Ų50.858%0.57827%0.27SS*.Hα-helixtrans-66.8-25.5-178.7-68.6-34.4000113.2Y307 D398Y307-N400 PolarHBondContact O-ND2 3.46Å; D398-N400 VanDerWaalsContact C-N 3.27Å; D398-N400 PolarHBondContact O-N 3.02Å
401F98.1Very high98.4Very high52 Ų5255.7 Ų55.723%0.22829%0.293CS..Hα-helixtrans-76.4-34.8172-179.4-100.9000112.6D398 Y399 H467D398-F401 HydrophobicContact CB-CB 3.95Å; D398-F401 VanDerWaalsContact CG-CB 3.48Å; D398-F401 WeakPolarHBondContact O-CB 3.43Å; D398-F401 PolarHBondContact O-N 3.19Å; D398-F401 WeakPolarHBondContact OD1-CB 3.35Å; D398-F401 PolarHBondContact OD1-N 2.95Å; Y399-F401 VanDerWaalsContact C-N 3.26Å; Y399-F401 PolarHBondContact O-N 3.28Å; F401-H467 HydrophobicContact CE2-CB 4.49Å; F401-H467 AromaticContact CE2-CD2 3.6Å; F401-H467 AromaticContact CE2-CE1 3.53Å; F401-H467 AromaticContact CE2-CG 3.61Å; F401-H467 AromaticContact CE2-ND1 3.56Å; F401-H467 AromaticContact CE2-NE2 3.58Å; F401-H467 HydrophobicContact CZ-CB 4.27Å; F401-H467 AromaticContact CZ-CE1 3.61Å; F401-H467 AromaticContact CZ-CG 3.6Å; F401-H467 AromaticContact CZ-ND1 3.27Å; F401-H467 VanDerWaalsContact CZ-ND1 3.27Å; F401-H467 WeakPolarHBondContact CZ-ND1 3.32Å
402Y98.6Very high98.4Very high12 Ų1260.2 Ų60.25%0.04731%0.314CS..Hα-helixtrans-96.5-14-174.9-63.7-61.7000115.4L394 D398 Y399 D404 F405 R406 M460 G464L394-Y402 HydrophobicContact CD1-CE2 4.42Å; L394-Y402 HydrophobicContact CG-CE2 4.31Å; L394-Y402 WeakPolarHBondContact O-CE2 3.27Å; D398-Y402 HydrophobicContact CB-CD2 4.44Å; D398-Y402 HydrophobicContact CB-CE2 4.28Å; D398-Y402 VanDerWaalsContact O-CD2 3.23Å; D398-Y402 WeakPolarHBondContact O-CD2 3.45Å; D398-Y402 PolarHBondContact O-N 3.35Å; Y399-Y402 PolarHBondContact O-N 2.77Å; Y399-Y402 VanDerWaalsContact O-N 3.11Å; Y402-D404 VanDerWaalsContact C-N 3.29Å; Y402-D404 PolarHBondContact O-N 2.86Å; Y402-F405 WeakPolarHBondContact O-CB 3.24Å; Y402-F405 PolarHBondContact O-N 3.07Å; Y402-F405 VanDerWaalsContact O-N 3.11Å; Y402-R406 PolarHBondContact O-N 2.92Å; Y402-R406 VanDerWaalsContact O-N 3.1Å; Y402-M460 HydrophobicContact CD1-CB 3.88Å; Y402-M460 HydrophobicContact CD1-CE 3.97Å; Y402-M460 HydrophobicContact CD1-CG 3.65Å; Y402-M460 HydrophobicContact CD2-CE 4.14Å; Y402-M460 HydrophobicContact CE1-CB 3.75Å; Y402-M460 HydrophobicContact CE1-CE 4.44Å; Y402-M460 HydrophobicContact CE1-CG 4.09Å; Y402-M460 WeakPolarHBondContact CE1-O 3.5Å; Y402-M460 HydrophobicContact CG-CE 3.79Å; Y402-M460 HydrophobicContact CG-CG 4.35Å; Y402-G464 VanDerWaalsContact OH-CA 3.29Å; Y402-G464 WeakPolarHBondContact OH-CA 3.21Å
403V98.2Very high98.4Very high25 Ų2560 Ų6015%0.15231%0.313CS..Hα-helixtrans-59.8-33.8-172.170.10000113.5Y399 R406 N407Y399-V403 HydrophobicContact CD1-CB 4.37Å; Y399-V403 HydrophobicContact CE1-CB 4.08Å; Y399-V403 HydrophobicContact CE1-CG2 3.77Å; Y399-V403 WeakPolarHBondContact O-CB 3.31Å; Y399-V403 PolarHBondContact O-N 2.71Å; V403-R406 WeakPolarHBondContact O-CB 3.21Å; V403-R406 PolarHBondContact O-N 3.48Å; V403-N407 WeakPolarHBondContact O-CB 3.38Å; V403-N407 PolarHBondContact O-N 3.1Å; V403-N407 PolarHBondContact O-ND2 3.48Å; V403-N407 PolarHBondContact O-OD1 2.85Å
404D98.1Very high98.4Very high114 Ų11455.2 Ų55.261%0.6129%0.287SS*.Hα-helixtrans-71.6-33.8178.2-75.4-22.4000112.9Y402 T408Y402-D404 VanDerWaalsContact C-N 3.29Å; Y402-D404 PolarHBondContact O-N 2.86Å; D404-T408 WeakPolarHBondContact O-CB 3.39Å; D404-T408 PolarHBondContact O-N 2.92Å; D404-T408 VanDerWaalsContact O-N 3.09Å; D404-T408 PolarHBondContact O-OG1 3.2Å
405F98.4Very high98.4Very high62 Ų6256.6 Ų56.627%0.27230%0.3SS..Hα-helixtrans-64.1-44.3170.4-66.1-95.8000110.3Y402 T408 F409 L456 D459 S463Y402-F405 WeakPolarHBondContact O-CB 3.24Å; Y402-F405 PolarHBondContact O-N 3.07Å; Y402-F405 VanDerWaalsContact O-N 3.11Å; F405-T408 PolarHBondContact O-N 2.86Å; F405-F409 WeakPolarHBondContact O-CB 3.24Å; F405-F409 PolarHBondContact O-N 3.26Å; F405-L456 HydrophobicContact CB-CD1 3.87Å; F405-D459 HydrophobicContact CD1-CB 3.99Å; F405-D459 HydrophobicContact CE1-CB 4.11Å; F405-S463 WeakPolarHBondContact CZ-OG 3.44Å
406R98.3Very high98.5Very high22 Ų2257.6 Ų57.68%0.08331%0.308CS..Hα-helixtrans-60.1-52.4177.7-165.8-71.4-56.2-82.74.2111.6T354 F355 Y399 Y402 V403 T408 F409 E410T354-R406 WeakPolarHBondContact O-CD 3.4Å; T354-R406 WeakPolarHBondContact O-CG 3.13Å; T354-R406 PolarHBondContact O-NH1 2.79Å; F355-R406 HydrophobicContact CD1-CB 3.83Å; F355-R406 HydrophobicContact CD1-CG 3.52Å; F355-R406 HydrophobicContact CE1-CB 3.65Å; F355-R406 HydrophobicContact CE1-CG 3.73Å; F355-R406 HydrophobicContact CG-CG 4Å; F355-R406 HydrophobicContact CZ-CB 4.42Å; F355-R406 HydrophobicContact CZ-CG 4.35Å; Y399-R406 PolarHBondContact OH-NH1 2.91Å; Y399-R406 PolarHBondContact OH-NH2 3.1Å; Y402-R406 PolarHBondContact O-N 2.92Å; Y402-R406 VanDerWaalsContact O-N 3.1Å; V403-R406 WeakPolarHBondContact O-CB 3.21Å; V403-R406 PolarHBondContact O-N 3.48Å; R406-T408 VanDerWaalsContact C-N 3.3Å; R406-T408 PolarHBondContact O-N 3.38Å; R406-F409 WeakPolarHBondContact O-CB 3.26Å; R406-F409 PolarHBondContact O-N 2.86Å; R406-E410 WeakPolarHBondContact CD-OE2 3.18Å; R406-E410 IonicContact CZ-OE2 3.78Å; R406-E410 IonicContact NE-OE2 3.29Å; R406-E410 PolarHBondContact NE-OE2 2.85Å; R406-E410 PolarHBondContact O-N 3.07Å
407N98.5Very high98.5Very high67 Ų6753.5 Ų53.536%0.35829%0.287SS..Hα-helixtrans-59.7-40.4179.5-65.1-20.3000111.8V403 L411V403-N407 WeakPolarHBondContact O-CB 3.38Å; V403-N407 PolarHBondContact O-N 3.1Å; V403-N407 PolarHBondContact O-ND2 3.48Å; V403-N407 PolarHBondContact O-OD1 2.85Å; N407-L411 PolarHBondContact O-N 3.14Å
408T98.5Very high98.5Very high78 Ų7851.5 Ų51.548%0.47927%0.268SS..Hα-helixtrans-65.6-46.7176-560000111D404 F405 R406 L411 E412D404-T408 WeakPolarHBondContact O-CB 3.39Å; D404-T408 PolarHBondContact O-N 2.92Å; D404-T408 VanDerWaalsContact O-N 3.09Å; D404-T408 PolarHBondContact O-OG1 3.2Å; F405-T408 PolarHBondContact O-N 2.86Å; R406-T408 VanDerWaalsContact C-N 3.3Å; R406-T408 PolarHBondContact O-N 3.38Å; T408-L411 PolarHBondContact O-N 2.67Å; T408-E412 HydrophobicContact CG2-CG 4.44Å; T408-E412 WeakPolarHBondContact O-CG 3.38Å; T408-E412 PolarHBondContact O-N 3.31Å
409F98.7Very high98.5Very high13 Ų1348.9 Ų48.96%0.05726%0.261CS..Hα-helixtrans-57.6-48.6176.1157.9-99.2000112.1T357 F405 R406 L411 E412 A413 R452 L456T357-F409 HydrophobicContact CG2-CD1 4.07Å; T357-F409 HydrophobicContact CG2-CE1 3.42Å; T357-F409 VanDerWaalsContact CG2-CE1 3.42Å; T357-F409 HydrophobicContact CG2-CZ 3.79Å; F405-F409 WeakPolarHBondContact O-CB 3.24Å; F405-F409 PolarHBondContact O-N 3.26Å; R406-F409 WeakPolarHBondContact O-CB 3.26Å; R406-F409 PolarHBondContact O-N 2.86Å; F409-L411 PolarHBondContact O-N 3.21Å; F409-E412 PolarHBondContact O-N 2.85Å; F409-A413 HydrophobicContact CD2-CB 4.37Å; F409-A413 HydrophobicContact CE2-CB 4.13Å; F409-A413 HydrophobicContact CZ-CB 4.43Å; F409-A413 WeakPolarHBondContact O-CB 3.27Å; F409-A413 PolarHBondContact O-N 3.2Å; F409-R452 HydrophobicContact CD2-CB 4.05Å; F409-R452 HydrophobicContact CE2-CB 3.73Å; F409-L456 HydrophobicContact CB-CB 4.36Å; F409-L456 HydrophobicContact CB-CD1 4.13Å; F409-L456 HydrophobicContact CB-CD2 4.06Å; F409-L456 HydrophobicContact CB-CG 4.41Å; F409-L456 HydrophobicContact CD1-CD2 3.53Å; F409-L456 HydrophobicContact CD2-CB 4Å; F409-L456 HydrophobicContact CD2-CD2 4.14Å; F409-L456 HydrophobicContact CE1-CD2 3.92Å; F409-L456 HydrophobicContact CG-CB 4.16Å; F409-L456 HydrophobicContact CG-CD2 3.64Å; F409-L456 HydrophobicContact CG-CG 4.32Å; F409-L456 HydrophobicContact CZ-CD2 4.41Å
410E98.7Very high98.6Very high45 Ų4549.3 Ų49.321%0.2126%0.264CS..Hα-helixtrans-57.2-48180-77178.9135.100111.8T357 R406 M414T357-E410 HydrophobicContact CG2-CB 4.26Å; T357-E410 HydrophobicContact CG2-CG 3.89Å; R406-E410 WeakPolarHBondContact CD-OE2 3.18Å; R406-E410 IonicContact CZ-OE2 3.78Å; R406-E410 IonicContact NE-OE2 3.29Å; R406-E410 PolarHBondContact NE-OE2 2.85Å; R406-E410 PolarHBondContact O-N 3.07Å; E410-M414 WeakPolarHBondContact O-CB 3.33Å; E410-M414 VanDerWaalsContact O-CG 3.26Å; E410-M414 WeakPolarHBondContact O-CG 3.44Å; E410-M414 PolarHBondContact O-N 3.25Å
411L98.7Very high98.6Very high122 Ų12244.4 Ų44.464%0.63924%0.238SC*.Hα-helixtrans-62.6-48.8178.9176.860.8000111.9N407 T408 F409 S415N407-L411 PolarHBondContact O-N 3.14Å; T408-L411 PolarHBondContact O-N 2.67Å; F409-L411 PolarHBondContact O-N 3.21Å; L411-S415 WeakPolarHBondContact O-CB 3.37Å; L411-S415 PolarHBondContact O-N 3.08Å; L411-S415 PolarHBondContact O-OG 3.13Å
412E98.7Very high98.7Very high95 Ų9545.5 Ų45.544%0.44425%0.246SC..Hα-helixtrans-67.1-39.2-178.3-70-170.4179.100112.5T408 F409 A416 R452T408-E412 HydrophobicContact CG2-CG 4.44Å; T408-E412 WeakPolarHBondContact O-CG 3.38Å; T408-E412 PolarHBondContact O-N 3.31Å; F409-E412 PolarHBondContact O-N 2.85Å; E412-A416 WeakPolarHBondContact O-CB 3.47Å; E412-A416 PolarHBondContact O-N 2.79Å; E412-A416 VanDerWaalsContact O-N 3.09Å; E412-R452 IonicContact OE2-NH1 3.58Å; E412-R452 PolarHBondContact OE2-NH1 3.11Å
413A98.8Very high98.7Very high0 Ų051.7 Ų51.70%028%0.276CS..Hα-helixtrans-67.6-54.4179.400000111.8T357 F409 S415 A416 Y417T357-A413 HydrophobicContact CG2-CB 3.93Å; F409-A413 HydrophobicContact CD2-CB 4.37Å; F409-A413 HydrophobicContact CE2-CB 4.13Å; F409-A413 HydrophobicContact CZ-CB 4.43Å; F409-A413 WeakPolarHBondContact O-CB 3.27Å; F409-A413 PolarHBondContact O-N 3.2Å; A413-S415 PolarHBondContact O-N 2.92Å; A413-A416 WeakPolarHBondContact O-CB 3.46Å; A413-A416 PolarHBondContact O-N 3.13Å; A413-Y417 HydrophobicContact CB-CE2 3.89Å; A413-Y417 WeakPolarHBondContact O-CD1 3.43Å; A413-Y417 WeakPolarHBondContact O-CD2 3.23Å; A413-Y417 PolarHBondContact O-N 2.83Å
414M98.9Very high98.7Very high21 Ų2150.9 Ų50.910%0.10327%0.271CS..Hα-helixtrans-60.2-37.5178.1-66.6-61-6700111.3E289 W347 T357 V358 E410 A416 Y417 R418E289-M414 HydrophobicContact CG-CE 4.1Å; W347-M414 HydrophobicContact CE3-CE 4.35Å; W347-M414 HydrophobicContact CH2-CE 4.27Å; W347-M414 HydrophobicContact CZ3-CE 3.59Å; T357-M414 HydrophobicContact CG2-CG 4.47Å; V358-M414 HydrophobicContact CG2-CE 4.3Å; V358-M414 HydrophobicContact CG2-SD 4.37Å; E410-M414 WeakPolarHBondContact O-CB 3.33Å; E410-M414 VanDerWaalsContact O-CG 3.26Å; E410-M414 WeakPolarHBondContact O-CG 3.44Å; E410-M414 PolarHBondContact O-N 3.25Å; M414-A416 PolarHBondContact O-N 3.23Å; M414-Y417 PolarHBondContact O-N 3.49Å; M414-Y417 HydrophobicContact SD-CD2 3.95Å; M414-Y417 HydrophobicContact SD-CE2 4.28Å; M414-R418 VanDerWaalsContact O-CB 3.25Å; M414-R418 WeakPolarHBondContact O-CB 3.26Å; M414-R418 WeakPolarHBondContact O-CG 3.43Å; M414-R418 PolarHBondContact O-N 3.35Å
415S98.9Very high98.7Very high69 Ų6947 Ų4748%0.48325%0.25SC..Hα-helixtrans-61.2-41.7173.9-62.10000112.8L411 A413 G419L411-S415 WeakPolarHBondContact O-CB 3.37Å; L411-S415 PolarHBondContact O-N 3.08Å; L411-S415 PolarHBondContact O-OG 3.13Å; A413-S415 PolarHBondContact O-N 2.92Å; S415-G419 PolarHBondContact O-N 3Å
416A98.9Very high98.7Very high20 Ų2051.6 Ų51.617%0.16527%0.27CS..Hα-helixtrans-67.1-44.917700000111.9E412 A413 M414 G419 I420E412-A416 WeakPolarHBondContact O-CB 3.47Å; E412-A416 PolarHBondContact O-N 2.79Å; E412-A416 VanDerWaalsContact O-N 3.09Å; A413-A416 WeakPolarHBondContact O-CB 3.46Å; A413-A416 PolarHBondContact O-N 3.13Å; M414-A416 PolarHBondContact O-N 3.23Å; A416-G419 WeakPolarHBondContact O-CA 3.49Å; A416-G419 PolarHBondContact O-N 3.09Å; A416-G419 VanDerWaalsContact O-N 3.14Å; A416-I420 PolarHBondContact O-N 3.25Å
417Y98.9Very high98.7Very high0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-64.4-44.7178.8-50.7-29000112T357 V359 A413 M414 G419 I420 Q421 L445 E448 S449T357-Y417 WeakPolarHBondContact OG1-CE2 3.4Å; T357-Y417 PolarHBondContact OG1-OH 3.5Å; T357-Y417 VanDerWaalsContact OG1-OH 3.1Å; V359-Y417 HydrophobicContact CG2-CD2 4.4Å; V359-Y417 HydrophobicContact CG2-CE1 4.39Å; V359-Y417 HydrophobicContact CG2-CE2 3.88Å; A413-Y417 HydrophobicContact CB-CE2 3.89Å; A413-Y417 WeakPolarHBondContact O-CD1 3.43Å; A413-Y417 WeakPolarHBondContact O-CD2 3.23Å; A413-Y417 PolarHBondContact O-N 2.83Å; M414-Y417 PolarHBondContact O-N 3.49Å; M414-Y417 HydrophobicContact SD-CD2 3.95Å; M414-Y417 HydrophobicContact SD-CE2 4.28Å; Y417-G419 VanDerWaalsContact C-N 3.26Å; Y417-G419 PolarHBondContact O-N 3.23Å; Y417-I420 PolarHBondContact O-N 2.94Å; Y417-Q421 WeakPolarHBondContact O-CB 3.25Å; Y417-Q421 PolarHBondContact O-N 3.48Å; Y417-L445 HydrophobicContact CD1-CD2 4.15Å; Y417-L445 HydrophobicContact CG-CD2 4.32Å; Y417-E448 HydrophobicContact CE1-CB 4.35Å; Y417-S449 WeakPolarHBondContact OH-CA 3.48Å
418R98.9Very high98.6Very high54 Ų5449.6 Ų49.620%0.20427%0.265CS..Hα-helixtrans-59.2-38.1172.3-70.7-75.8-171.1-166.57.1110.9E289 M414 N422E289-R418 IonicContact OE1-CZ 3.56Å; E289-R418 VanDerWaalsContact OE1-CZ 3.27Å; E289-R418 IonicContact OE1-NE 2.7Å; E289-R418 PolarHBondContact OE1-NE 3.28Å; E289-R418 IonicContact OE1-NH2 3.51Å; E289-R418 PolarHBondContact OE1-NH2 2.91Å; E289-R418 IonicContact OE2-CZ 3.04Å; E289-R418 IonicContact OE2-NH2 3.58Å; E289-R418 PolarHBondContact OE2-NH2 3.34Å; M414-R418 VanDerWaalsContact O-CB 3.25Å; M414-R418 WeakPolarHBondContact O-CB 3.26Å; M414-R418 WeakPolarHBondContact O-CG 3.43Å; M414-R418 PolarHBondContact O-N 3.35Å; R418-N422 VanDerWaalsContact O-CB 3.28Å; R418-N422 WeakPolarHBondContact O-CB 3.41Å; R418-N422 PolarHBondContact O-N 2.91Å; R418-N422 PolarHBondContact O-ND2 2.93Å
419G98.8Very high98.5Very high29 Ų2950.2 Ų50.230%0.29928%0.278SS..Hα-helixtrans-58-55.6173.300000112.1S415 A416 Y417 Q421 N422 E423S415-G419 PolarHBondContact O-N 3Å; A416-G419 WeakPolarHBondContact O-CA 3.49Å; A416-G419 PolarHBondContact O-N 3.09Å; A416-G419 VanDerWaalsContact O-N 3.14Å; Y417-G419 VanDerWaalsContact C-N 3.26Å; Y417-G419 PolarHBondContact O-N 3.23Å; G419-Q421 PolarHBondContact O-N 2.86Å; G419-N422 PolarHBondContact O-N 2.91Å; G419-E423 WeakPolarHBondContact O-CG 3.4Å; G419-E423 PolarHBondContact O-N 3.47Å
420I98.9Very high98.3Very high28 Ų2856.1 Ų56.114%0.14431%0.31CS..Hα-helixtrans-59.3-48.1178.7-64.9162.9000111A416 Y417 N422 E423 T424 K444 L445 E448A416-I420 PolarHBondContact O-N 3.25Å; Y417-I420 PolarHBondContact O-N 2.94Å; I420-N422 PolarHBondContact O-N 3Å; I420-E423 PolarHBondContact O-N 2.94Å; I420-E423 VanDerWaalsContact O-N 3.17Å; I420-T424 WeakPolarHBondContact O-CB 3.35Å; I420-T424 PolarHBondContact O-N 2.97Å; I420-T424 PolarHBondContact O-OG1 2.73Å; I420-K444 HydrophobicContact CD1-CB 4.34Å; I420-K444 HydrophobicContact CG2-CB 4.48Å; I420-L445 HydrophobicContact CB-CD2 3.84Å; I420-L445 HydrophobicContact CB-CG 4.41Å; I420-L445 HydrophobicContact CD1-CD2 4.01Å; I420-L445 HydrophobicContact CG2-CD2 3.89Å; I420-L445 HydrophobicContact CG2-CG 3.89Å; I420-E448 HydrophobicContact CD1-CB 4.43Å; I420-E448 HydrophobicContact CD1-CG 4.12Å
421Q98.9Very high98.2Very high4 Ų457.2 Ų57.22%0.01932%0.316CS..Hα-helixtrans-55.6-49.5177.5-177.9176.759.200111.4Y362 Y417 G419 E423 T424 D425Y362-Q421 PolarHBondContact OH-O 3.26Å; Y417-Q421 WeakPolarHBondContact O-CB 3.25Å; Y417-Q421 PolarHBondContact O-N 3.48Å; G419-Q421 PolarHBondContact O-N 2.86Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 3.24Å; Q421-T424 PolarHBondContact O-N 2.85Å; Q421-D425 WeakPolarHBondContact O-CB 3.43Å; Q421-D425 PolarHBondContact O-N 3.38Å
422N98.8Very high98.1Very high76 Ų7658.6 Ų58.641%0.40633%0.329SS..Hα-helixtrans-67.1-23.4179.6-80.1-62.7000114.5R418 G419 I420 K426R418-N422 VanDerWaalsContact O-CB 3.28Å; R418-N422 WeakPolarHBondContact O-CB 3.41Å; R418-N422 PolarHBondContact O-N 2.91Å; R418-N422 PolarHBondContact O-ND2 2.93Å; G419-N422 PolarHBondContact O-N 2.91Å; I420-N422 PolarHBondContact O-N 3Å; N422-K426 WeakPolarHBondContact O-CD 3.42Å; N422-K426 VanDerWaalsContact O-CE 3.25Å; N422-K426 WeakPolarHBondContact O-CE 3.42Å; N422-K426 VanDerWaalsContact O-CG 3.25Å; N422-K426 WeakPolarHBondContact O-CG 3.28Å; N422-K426 PolarHBondContact O-NZ 3.39Å
423E98.6Very high98Very high142 Ų14257.8 Ų57.866%0.66433%0.328SS*.Hα-helixtrans-80.5-46.8173.8-74.2180-17600110.7G419 I420 Q421 K426 A427G419-E423 WeakPolarHBondContact O-CG 3.4Å; G419-E423 PolarHBondContact O-N 3.47Å; I420-E423 PolarHBondContact O-N 2.94Å; I420-E423 VanDerWaalsContact O-N 3.17Å; Q421-E423 VanDerWaalsContact C-N 3.29Å; Q421-E423 PolarHBondContact O-N 3.24Å; E423-K426 PolarHBondContact O-N 2.93Å; E423-A427 PolarHBondContact O-N 2.96Å
424T98.8Very high98Very high8 Ų859.3 Ų59.35%0.04934%0.337CS..Hα-helixtrans-57.9-48.9175.4-59.80000111.5Y362 I420 Q421 K426 A427 I428 F437 L438 A441Y362-T424 HydrophobicContact CE2-CG2 3.67Å; Y362-T424 WeakPolarHBondContact OH-CB 3.47Å; Y362-T424 WeakPolarHBondContact OH-CG2 3.05Å; I420-T424 WeakPolarHBondContact O-CB 3.35Å; I420-T424 PolarHBondContact O-N 2.97Å; I420-T424 PolarHBondContact O-OG1 2.73Å; Q421-T424 PolarHBondContact O-N 2.85Å; T424-K426 PolarHBondContact O-N 3.44Å; T424-A427 PolarHBondContact O-N 2.82Å; T424-A427 VanDerWaalsContact O-N 3.15Å; T424-I428 PolarHBondContact O-N 2.61Å; T424-I428 VanDerWaalsContact O-N 3.16Å; T424-F437 HydrophobicContact CG2-CD1 4.26Å; T424-F437 HydrophobicContact CG2-CE1 3.47Å; T424-F437 VanDerWaalsContact CG2-CE1 3.47Å; T424-F437 HydrophobicContact CG2-CZ 3.93Å; T424-L438 HydrophobicContact CG2-CD2 3.71Å; T424-A441 HydrophobicContact CG2-CB 3.68Å
425D98.7Very high98Very high31 Ų3161.3 Ų61.317%0.16635%0.346CS..Hα-helixtrans-59-33.1179.3-70.4-17.3000113.1R335 I342 Y362 Q421 I428R335-D425 IonicContact CZ-OD1 2.77Å; R335-D425 IonicContact CZ-OD2 3.84Å; R335-D425 IonicContact NH1-OD1 2.64Å; R335-D425 PolarHBondContact NH1-OD1 2.8Å; R335-D425 IonicContact NH1-OD2 2.69Å; R335-D425 PolarHBondContact NH1-OD2 2.8Å; R335-D425 IonicContact NH2-OD1 2.73Å; R335-D425 PolarHBondContact NH2-OD1 3.35Å; R335-D425 IonicContact NH2-OD2 2.63Å; I342-D425 HydrophobicContact CD1-CB 4.17Å; I342-D425 WeakPolarHBondContact CD1-OD1 3.24Å; Y362-D425 WeakPolarHBondContact CE1-OD1 3.35Å; Y362-D425 PolarHBondContact OH-OD1 2.9Å; Q421-D425 WeakPolarHBondContact O-CB 3.43Å; Q421-D425 PolarHBondContact O-N 3.38Å; D425-I428 VanDerWaalsContact O-CG2 3.22Å; D425-I428 WeakPolarHBondContact O-CG2 3.49Å
426K98.2Very high97.9Very high159 Ų15964.6 Ų64.669%0.69135%0.354SS*.Hα-helixtrans-78.6-30.5179.4-72.8169.2-165.5150.80112.9N422 E423 T424N422-K426 WeakPolarHBondContact O-CD 3.42Å; N422-K426 VanDerWaalsContact O-CE 3.25Å; N422-K426 WeakPolarHBondContact O-CE 3.42Å; N422-K426 VanDerWaalsContact O-CG 3.25Å; N422-K426 WeakPolarHBondContact O-CG 3.28Å; N422-K426 PolarHBondContact O-NZ 3.39Å; E423-K426 PolarHBondContact O-N 2.93Å; T424-K426 PolarHBondContact O-N 3.44Å
427A98.2Very high97.9Very high32 Ų3265.5 Ų65.526%0.26435%0.354SS..Hα-helixtrans-89.3-7.1-177.500000113.5E423 T424 A429 D430 Q431 F437E423-A427 PolarHBondContact O-N 2.96Å; T424-A427 PolarHBondContact O-N 2.82Å; T424-A427 VanDerWaalsContact O-N 3.15Å; A427-A429 VanDerWaalsContact C-N 3.29Å; A427-A429 PolarHBondContact O-N 2.88Å; A427-D430 PolarHBondContact O-N 3Å; A427-Q431 WeakPolarHBondContact O-CG 3.22Å; A427-Q431 PolarHBondContact O-NE2 2.82Å; A427-F437 HydrophobicContact CB-CE2 4.49Å; A427-F437 HydrophobicContact CB-CZ 3.91Å
428I97.3Very high97.9Very high15 Ų1565.5 Ų65.58%0.07735%0.354CS..G310 helixtrans-57.6-36.8-174.8-164.661.4000113.8P339 I342 T424 D425 D430 Q431 V434 F437 L438P339-I428 HydrophobicContact CG-CG2 4.22Å; I342-I428 HydrophobicContact CD1-CB 4.29Å; I342-I428 HydrophobicContact CD1-CG1 4.3Å; I342-I428 HydrophobicContact CD1-CG2 3.97Å; I342-I428 HydrophobicContact CG1-CG1 4.43Å; I342-I428 HydrophobicContact CG2-CD1 3.59Å; I342-I428 HydrophobicContact CG2-CG1 3.76Å; T424-I428 PolarHBondContact O-N 2.61Å; T424-I428 VanDerWaalsContact O-N 3.16Å; D425-I428 VanDerWaalsContact O-CG2 3.22Å; D425-I428 WeakPolarHBondContact O-CG2 3.49Å; I428-D430 PolarHBondContact O-N 2.82Å; I428-Q431 PolarHBondContact O-N 2.9Å; I428-V434 HydrophobicContact CD1-CG1 3.82Å; I428-V434 HydrophobicContact CD1-CG2 4.5Å; I428-F437 HydrophobicContact CD1-CD1 3.9Å; I428-F437 HydrophobicContact CD1-CE1 4.01Å; I428-L438 HydrophobicContact CD1-CD2 4.23Å
429A95.1Very high97.9Very high92 Ų9265.8 Ų65.876%0.7636%0.358SS*.G310 helixtrans-69.3-16-176.200000113.8A427A427-A429 VanDerWaalsContact C-N 3.29Å; A427-A429 PolarHBondContact O-N 2.88Å
430D95Very high97.9Very high137 Ų13766.7 Ų66.773%0.73336%0.362SS*.G310 helixtrans-95.6-0.2178.9-63.3-46.5000112.8A427 I428A427-D430 PolarHBondContact O-N 3Å; I428-D430 PolarHBondContact O-N 2.82Å
431Q97.3Very high97.9Very high68 Ų6865.4 Ų65.432%0.31836%0.356SS..  trans-94.3141.8-173.9-49.7-51.8-46.500112.7A427 I428 F437A427-Q431 WeakPolarHBondContact O-CG 3.22Å; A427-Q431 PolarHBondContact O-NE2 2.82Å; I428-Q431 PolarHBondContact O-N 2.9Å; Q431-F437 HydrophobicContact CB-CB 4.43Å; Q431-F437 HydrophobicContact CB-CG 4.41Å; Q431-F437 HydrophobicContact CG-CB 4.11Å; Q431-F437 HydrophobicContact CG-CD1 3.67Å; Q431-F437 HydrophobicContact CG-CD2 3.8Å; Q431-F437 HydrophobicContact CG-CE1 3.92Å; Q431-F437 HydrophobicContact CG-CE2 4.08Å; Q431-F437 HydrophobicContact CG-CG 3.59Å; Q431-F437 HydrophobicContact CG-CZ 4.14Å
432T95.3Very high97.9Very high150 Ų15065.3 Ų65.392%0.9236%0.355SS*.SBendtrans-102.5-35.9174.255.10000113.2
433D97.7Very high97.9Very high78 Ų7865.7 Ų65.742%0.41736%0.355SS..  trans-105.298.5168.1-162.9-45000108Q435 E436 F437D433-Q435 PolarHBondContact OD1-N 2.8Å; D433-Q435 VanDerWaalsContact OD1-N 3.15Å; D433-E436 HydrophobicContact CB-CB 4.15Å; D433-E436 PolarHBondContact OD1-N 3.14Å; D433-F437 WeakPolarHBondContact O-CB 3.43Å; D433-F437 PolarHBondContact O-N 2.87Å
434V98.1Very high98Very high32 Ų3264.4 Ų64.419%0.19435%0.347CS..Hα-helixtrans-72.7-32.7-176.9175.80000111E341 I428 F437 L438E341-V434 HydrophobicContact CB-CG1 3.93Å; I428-V434 HydrophobicContact CD1-CG1 3.82Å; I428-V434 HydrophobicContact CD1-CG2 4.5Å; V434-F437 PolarHBondContact O-N 3.13Å; V434-L438 HydrophobicContact CG1-CD1 3.63Å; V434-L438 HydrophobicContact CG1-CG 4.08Å; V434-L438 WeakPolarHBondContact O-CB 3.26Å; V434-L438 WeakPolarHBondContact O-CG 3.48Å; V434-L438 PolarHBondContact O-N 2.98Å
435Q98.2Very high98Very high64 Ų6464 Ų6430%0.29935%0.345SS..Hα-helixtrans-73.2-46.9-176.2-69.2170.9-20.800110.4N366 D433 F437 L438 E439N366-Q435 PolarHBondContact ND2-OE1 2.97Å; N366-Q435 PolarHBondContact OD1-OE1 2.79Å; D433-Q435 PolarHBondContact OD1-N 2.8Å; D433-Q435 VanDerWaalsContact OD1-N 3.15Å; Q435-F437 VanDerWaalsContact C-N 3.28Å; Q435-F437 PolarHBondContact O-N 3.09Å; Q435-L438 PolarHBondContact O-N 3.3Å; Q435-E439 WeakPolarHBondContact O-CB 3.48Å; Q435-E439 VanDerWaalsContact O-CG 3.32Å; Q435-E439 WeakPolarHBondContact O-CG 3.47Å; Q435-E439 PolarHBondContact O-N 3.17Å
436E98.5Very high98Very high137 Ų13762.6 Ų62.664%0.6434%0.337SS*.Hα-helixtrans-59-40.3173.9-174-178.8-167.200111.4D433 A440D433-E436 HydrophobicContact CB-CB 4.15Å; D433-E436 PolarHBondContact OD1-N 3.14Å; E436-A440 WeakPolarHBondContact O-CB 3.37Å; E436-A440 PolarHBondContact O-N 2.81Å
437F98.8Very high98Very high40 Ų4059.6 Ų59.618%0.17533%0.329CS..Hα-helixtrans-64.7-43177.4176.5-106.3000113.2T424 A427 I428 Q431 D433 V434 Q435 A440 A441T424-F437 HydrophobicContact CG2-CD1 4.26Å; T424-F437 HydrophobicContact CG2-CE1 3.47Å; T424-F437 VanDerWaalsContact CG2-CE1 3.47Å; T424-F437 HydrophobicContact CG2-CZ 3.93Å; A427-F437 HydrophobicContact CB-CE2 4.49Å; A427-F437 HydrophobicContact CB-CZ 3.91Å; I428-F437 HydrophobicContact CD1-CD1 3.9Å; I428-F437 HydrophobicContact CD1-CE1 4.01Å; Q431-F437 HydrophobicContact CB-CB 4.43Å; Q431-F437 HydrophobicContact CB-CG 4.41Å; Q431-F437 HydrophobicContact CG-CB 4.11Å; Q431-F437 HydrophobicContact CG-CD1 3.67Å; Q431-F437 HydrophobicContact CG-CD2 3.8Å; Q431-F437 HydrophobicContact CG-CE1 3.92Å; Q431-F437 HydrophobicContact CG-CE2 4.08Å; Q431-F437 HydrophobicContact CG-CG 3.59Å; Q431-F437 HydrophobicContact CG-CZ 4.14Å; D433-F437 WeakPolarHBondContact O-CB 3.43Å; D433-F437 PolarHBondContact O-N 2.87Å; V434-F437 PolarHBondContact O-N 3.13Å; Q435-F437 VanDerWaalsContact C-N 3.28Å; Q435-F437 PolarHBondContact O-N 3.09Å; F437-A440 PolarHBondContact O-N 3.31Å; F437-A441 PolarHBondContact O-N 3.2Å
438L98.9Very high98Very high0 Ų059.9 Ų59.90%033%0.325CS..Hα-helixtrans-75.8-30179.4-65.2177.7000112.4E341 I342 Y362 N364 V365 T424 I428 V434 Q435 A441 N442E341-L438 WeakPolarHBondContact O-CD1 3.15Å; I342-L438 HydrophobicContact CG2-CD1 3.78Å; I342-L438 HydrophobicContact CG2-CD2 3.69Å; I342-L438 HydrophobicContact CG2-CG 4.33Å; Y362-L438 HydrophobicContact CD1-CD2 3.91Å; Y362-L438 HydrophobicContact CD2-CD2 3.96Å; Y362-L438 HydrophobicContact CE1-CD2 4.17Å; Y362-L438 HydrophobicContact CE2-CD2 4.24Å; Y362-L438 HydrophobicContact CG-CB 4.49Å; Y362-L438 HydrophobicContact CG-CD1 4.49Å; Y362-L438 HydrophobicContact CG-CD2 3.79Å; Y362-L438 HydrophobicContact CG-CG 4.46Å; N364-L438 HydrophobicContact CB-CD1 3.96Å; V365-L438 HydrophobicContact CG1-CB 3.78Å; T424-L438 HydrophobicContact CG2-CD2 3.71Å; I428-L438 HydrophobicContact CD1-CD2 4.23Å; V434-L438 HydrophobicContact CG1-CD1 3.63Å; V434-L438 HydrophobicContact CG1-CG 4.08Å; V434-L438 WeakPolarHBondContact O-CB 3.26Å; V434-L438 WeakPolarHBondContact O-CG 3.48Å; V434-L438 PolarHBondContact O-N 2.98Å; Q435-L438 PolarHBondContact O-N 3.3Å; L438-A441 WeakPolarHBondContact O-CB 3.28Å; L438-A441 PolarHBondContact O-N 2.78Å; L438-N442 WeakPolarHBondContact O-CB 3.33Å; L438-N442 PolarHBondContact O-N 3.18Å
439E98.9Very high98.1Very high60 Ų6059.2 Ų59.228%0.2832%0.321SS..Hα-helixtrans-62-46.7167.6-76.1171-167.300110.9V365 N366 D367 Q435 A441 N442 E443V365-E439 HydrophobicContact CB-CG 3.66Å; V365-E439 HydrophobicContact CG1-CB 4.49Å; V365-E439 HydrophobicContact CG1-CG 3.68Å; N366-E439 WeakPolarHBondContact CA-OE1 3.44Å; N366-E439 VanDerWaalsContact CB-OE1 3.31Å; N366-E439 WeakPolarHBondContact CB-OE1 3.47Å; N366-E439 PolarHBondContact N-OE1 3.48Å; D367-E439 PolarHBondContact N-OE1 3.26Å; D367-E439 VanDerWaalsContact N-OE1 3.16Å; Q435-E439 WeakPolarHBondContact O-CB 3.48Å; Q435-E439 VanDerWaalsContact O-CG 3.32Å; Q435-E439 WeakPolarHBondContact O-CG 3.47Å; Q435-E439 PolarHBondContact O-N 3.17Å; E439-A441 PolarHBondContact O-N 3.23Å; E439-N442 PolarHBondContact O-N 3.41Å; E439-N442 VanDerWaalsContact O-N 3.14Å; E439-E443 PolarHBondContact O-N 2.79Å
440A98.8Very high98.3Very high47 Ų4756.6 Ų56.639%0.38829%0.294SS..Hα-helixtrans-65.2-23.2174.700000113.6E436 F437 K444E436-A440 WeakPolarHBondContact O-CB 3.37Å; E436-A440 PolarHBondContact O-N 2.81Å; F437-A440 PolarHBondContact O-N 3.31Å; A440-K444 WeakPolarHBondContact O-CD 3.27Å; A440-K444 VanDerWaalsContact O-CG 3.29Å; A440-K444 WeakPolarHBondContact O-CG 3.44Å
441A98.9Very high98.5Very high2 Ų256 Ų562%0.01729%0.285CS..Hα-helixtrans-77.5-43169.800000111.9Y362 T424 F437 L438 E439 E443 K444 L445Y362-A441 HydrophobicContact CD2-CB 4.29Å; Y362-A441 HydrophobicContact CE2-CB 4.15Å; T424-A441 HydrophobicContact CG2-CB 3.68Å; F437-A441 PolarHBondContact O-N 3.2Å; L438-A441 WeakPolarHBondContact O-CB 3.28Å; L438-A441 PolarHBondContact O-N 2.78Å; E439-A441 PolarHBondContact O-N 3.23Å; A441-E443 VanDerWaalsContact C-N 3.35Å; A441-E443 PolarHBondContact O-N 3.4Å; A441-K444 PolarHBondContact O-N 3.46Å; A441-L445 WeakPolarHBondContact O-CG 3.28Å; A441-L445 PolarHBondContact O-N 2.97Å
442N98.9Very high98.5Very high1 Ų155.1 Ų55.11%0.00528%0.279CS..Hα-helixtrans-62.2-39.5176-77.1-5.9000111.9F361 Y362 V365 P369 L438 E439 L445 A446F361-N442 WeakPolarHBondContact CA-OD1 3.4Å; F361-N442 HydrophobicContact CD1-CB 3.9Å; Y362-N442 PolarHBondContact N-OD1 3.41Å; Y362-N442 PolarHBondContact O-ND2 2.96Å; V365-N442 WeakPolarHBondContact CG1-ND2 3.44Å; P369-N442 HydrophobicContact CG-CB 4.01Å; L438-N442 WeakPolarHBondContact O-CB 3.33Å; L438-N442 PolarHBondContact O-N 3.18Å; E439-N442 PolarHBondContact O-N 3.41Å; E439-N442 VanDerWaalsContact O-N 3.14Å; N442-L445 WeakPolarHBondContact O-CB 3.32Å; N442-L445 PolarHBondContact O-N 3.17Å; N442-A446 WeakPolarHBondContact O-CB 3.47Å; N442-A446 PolarHBondContact O-N 3.4Å
443E98.9Very high98.7Very high85 Ų8548 Ų4840%0.39724%0.235SC..Hα-helixtrans-64.3-43.4176.4-164.967-175.400111.4P369 E439 A441 L445 A446 D447P369-E443 WeakPolarHBondContact CA-OE2 3.35Å; P369-E443 VanDerWaalsContact CB-OE2 3.3Å; P369-E443 WeakPolarHBondContact CB-OE2 3.47Å; E439-E443 PolarHBondContact O-N 2.79Å; A441-E443 VanDerWaalsContact C-N 3.35Å; A441-E443 PolarHBondContact O-N 3.4Å; E443-L445 VanDerWaalsContact C-N 3.32Å; E443-L445 PolarHBondContact O-N 3.22Å; E443-A446 PolarHBondContact O-N 3.01Å; E443-D447 WeakPolarHBondContact O-CB 3.48Å; E443-D447 PolarHBondContact O-N 2.87Å
444K98.9Very high98.8Very high115 Ų11547.5 Ų47.550%0.524%0.235SC..Hα-helixtrans-61.2-39174.3-69.5166.6-170.4166.40112.8I420 A440 A441 E448I420-K444 HydrophobicContact CD1-CB 4.34Å; I420-K444 HydrophobicContact CG2-CB 4.48Å; A440-K444 WeakPolarHBondContact O-CD 3.27Å; A440-K444 VanDerWaalsContact O-CG 3.29Å; A440-K444 WeakPolarHBondContact O-CG 3.44Å; A441-K444 PolarHBondContact O-N 3.46Å; K444-E448 PolarHBondContact O-N 3.43Å; K444-E448 VanDerWaalsContact O-N 3.07Å
445L99Very high98.8Very high0 Ų051.6 Ų51.60%025%0.25CS..Hα-helixtrans-64.5-43.5175.7-76.2171.7000111.1V359 P360 F361 Y417 I420 A441 N442 E443 S449V359-L445 HydrophobicContact CG1-CB 3.66Å; V359-L445 HydrophobicContact CG1-CD2 4.45Å; V359-L445 HydrophobicContact CG1-CG 4.45Å; P360-L445 HydrophobicContact CG-CD1 4.12Å; P360-L445 HydrophobicContact CG-CD2 3.99Å; P360-L445 VanDerWaalsContact O-CD1 3.24Å; P360-L445 WeakPolarHBondContact O-CD1 3.47Å; F361-L445 HydrophobicContact CD1-CB 4.43Å; F361-L445 HydrophobicContact CE1-CB 4.12Å; Y417-L445 HydrophobicContact CD1-CD2 4.15Å; Y417-L445 HydrophobicContact CG-CD2 4.32Å; I420-L445 HydrophobicContact CB-CD2 3.84Å; I420-L445 HydrophobicContact CB-CG 4.41Å; I420-L445 HydrophobicContact CD1-CD2 4.01Å; I420-L445 HydrophobicContact CG2-CD2 3.89Å; I420-L445 HydrophobicContact CG2-CG 3.89Å; A441-L445 WeakPolarHBondContact O-CG 3.28Å; A441-L445 PolarHBondContact O-N 2.97Å; N442-L445 WeakPolarHBondContact O-CB 3.32Å; N442-L445 PolarHBondContact O-N 3.17Å; E443-L445 VanDerWaalsContact C-N 3.32Å; E443-L445 PolarHBondContact O-N 3.22Å; L445-S449 VanDerWaalsContact O-CB 3.3Å; L445-S449 WeakPolarHBondContact O-CB 3.27Å; L445-S449 PolarHBondContact O-N 3.14Å
446A98.9Very high98.8Very high0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-67.5-40.817700000112.9F361 P369 Y372 N442 E443 S449 L450F361-A446 HydrophobicContact CE1-CB 4.06Å; F361-A446 HydrophobicContact CZ-CB 4.23Å; P369-A446 HydrophobicContact CB-CB 3.35Å; P369-A446 HydrophobicContact CG-CB 3.72Å; Y372-A446 HydrophobicContact CD2-CB 4.19Å; Y372-A446 HydrophobicContact CE2-CB 4.35Å; N442-A446 WeakPolarHBondContact O-CB 3.47Å; N442-A446 PolarHBondContact O-N 3.4Å; E443-A446 PolarHBondContact O-N 3.01Å; A446-S449 WeakPolarHBondContact O-CB 3.37Å; A446-S449 PolarHBondContact O-N 3.31Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 3.22Å
447D98.8Very high98.8Very high96 Ų9644.5 Ų44.551%0.51322%0.217SC..Hα-helixtrans-60.3-51174.5-92.8-19.4000111.9E443 S449 L450 K451E443-D447 WeakPolarHBondContact O-CB 3.48Å; E443-D447 PolarHBondContact O-N 2.87Å; D447-S449 VanDerWaalsContact C-N 3.28Å; D447-S449 PolarHBondContact O-N 3.4Å; D447-L450 PolarHBondContact O-N 3.01Å; D447-K451 WeakPolarHBondContact O-CB 3.31Å; D447-K451 PolarHBondContact O-N 3.43Å
448E98.8Very high98.8Very high39 Ų3943.9 Ų43.918%0.18222%0.222CC..Hα-helixtrans-63.6-35.7176.4-84.2-69.9123.800111.5Y417 I420 K444 K451 R452Y417-E448 HydrophobicContact CE1-CB 4.35Å; I420-E448 HydrophobicContact CD1-CB 4.43Å; I420-E448 HydrophobicContact CD1-CG 4.12Å; K444-E448 PolarHBondContact O-N 3.43Å; K444-E448 VanDerWaalsContact O-N 3.07Å; E448-K451 IonicContact OE1-NZ 2.78Å; E448-K451 PolarHBondContact OE1-NZ 2.95Å; E448-K451 IonicContact OE2-NZ 3.73Å; E448-R452 VanDerWaalsContact O-CB 3.28Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 WeakPolarHBondContact O-CD 3.19Å; E448-R452 WeakPolarHBondContact O-CG 3.49Å; E448-R452 PolarHBondContact O-N 3.44Å; E448-R452 IonicContact OE2-CZ 3.65Å; E448-R452 IonicContact OE2-NE 2.64Å; E448-R452 PolarHBondContact OE2-NE 3.41Å; E448-R452 IonicContact OE2-NH2 3.69Å; E448-R452 PolarHBondContact OE2-NH2 3.28Å
449S98.8Very high98.8Very high0 Ų046.2 Ų46.20%023%0.234CC..Hα-helixtrans-63.1-55.2174.5-1770000112.1V359 Y372 M384 Y417 L445 A446 D447 K451 R452 Q453V359-S449 WeakPolarHBondContact CG2-OG 3.29Å; Y372-S449 PolarHBondContact OH-OG 2.66Å; M384-S449 WeakPolarHBondContact CE-OG 3.45Å; Y417-S449 WeakPolarHBondContact OH-CA 3.48Å; L445-S449 VanDerWaalsContact O-CB 3.3Å; L445-S449 WeakPolarHBondContact O-CB 3.27Å; L445-S449 PolarHBondContact O-N 3.14Å; A446-S449 WeakPolarHBondContact O-CB 3.37Å; A446-S449 PolarHBondContact O-N 3.31Å; D447-S449 VanDerWaalsContact C-N 3.28Å; D447-S449 PolarHBondContact O-N 3.4Å; S449-K451 VanDerWaalsContact C-N 3.33Å; S449-K451 PolarHBondContact O-N 2.69Å; S449-R452 PolarHBondContact O-N 3.31Å; S449-R452 VanDerWaalsContact O-N 3.13Å; S449-Q453 WeakPolarHBondContact O-CB 3.23Å; S449-Q453 PolarHBondContact O-N 3.24Å
450L98.8Very high98.8Very high37 Ų3743.4 Ų43.419%0.19422%0.221CC..Hα-helixtrans-59-44.9-179.7-179.962.9000111.5C371 M384 L387 A446 D447 R452 T454C371-L450 HydrophobicContact CB-CD2 4.04Å; M384-L450 HydrophobicContact CG-CD1 4.25Å; M384-L450 HydrophobicContact SD-CB 4.21Å; M384-L450 HydrophobicContact SD-CD1 3.86Å; L387-L450 HydrophobicContact CD2-CD1 3.73Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 3.22Å; D447-L450 PolarHBondContact O-N 3.01Å; L450-R452 PolarHBondContact O-N 3.03Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 3.46Å; L450-T454 PolarHBondContact O-OG1 3.07Å
451K98.7Very high98.8Very high125 Ų12544 Ų4454%0.54322%0.22SC..Hα-helixtrans-57.9-45.5175.1172.3-177.5163.8-166.50112.5D447 E448 S449 K455D447-K451 WeakPolarHBondContact O-CB 3.31Å; D447-K451 PolarHBondContact O-N 3.43Å; E448-K451 IonicContact OE1-NZ 2.78Å; E448-K451 PolarHBondContact OE1-NZ 2.95Å; E448-K451 IonicContact OE2-NZ 3.73Å; S449-K451 VanDerWaalsContact C-N 3.33Å; S449-K451 PolarHBondContact O-N 2.69Å; K451-K455 WeakPolarHBondContact O-CB 3.39Å; K451-K455 PolarHBondContact O-N 3.12Å
452R98.7Very high98.8Very high49 Ų4949 Ų4919%0.18525%0.245CC..Hα-helixtrans-75.1-41.7-177-71.5171.2-177.4-76.9-6.1112.3F409 E412 E448 S449 L450 T454 K455 L456F409-R452 HydrophobicContact CD2-CB 4.05Å; F409-R452 HydrophobicContact CE2-CB 3.73Å; E412-R452 IonicContact OE2-NH1 3.58Å; E412-R452 PolarHBondContact OE2-NH1 3.11Å; E448-R452 VanDerWaalsContact O-CB 3.28Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 WeakPolarHBondContact O-CD 3.19Å; E448-R452 WeakPolarHBondContact O-CG 3.49Å; E448-R452 PolarHBondContact O-N 3.44Å; E448-R452 IonicContact OE2-CZ 3.65Å; E448-R452 IonicContact OE2-NE 2.64Å; E448-R452 PolarHBondContact OE2-NE 3.41Å; E448-R452 IonicContact OE2-NH2 3.69Å; E448-R452 PolarHBondContact OE2-NH2 3.28Å; S449-R452 PolarHBondContact O-N 3.31Å; S449-R452 VanDerWaalsContact O-N 3.13Å; L450-R452 PolarHBondContact O-N 3.03Å; R452-T454 VanDerWaalsContact C-N 3.33Å; R452-K455 PolarHBondContact O-N 3.08Å; R452-L456 PolarHBondContact O-N 2.9Å
453Q98.9Very high98.7Very high0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-63-41.9174-167.373.836.600110.8F355 M384 L387 T391 S449 K455 L456 F457F355-Q453 PolarHBondContact O-NE2 3.08Å; M384-Q453 HydrophobicContact CE-CB 3.86Å; M384-Q453 HydrophobicContact CE-CG 3.94Å; M384-Q453 HydrophobicContact SD-CB 3.97Å; M384-Q453 HydrophobicContact SD-CG 4.27Å; L387-Q453 HydrophobicContact CD2-CB 3.85Å; L387-Q453 HydrophobicContact CD2-CG 3.74Å; L387-Q453 HydrophobicContact CG-CB 4.4Å; L387-Q453 HydrophobicContact CG-CG 3.73Å; T391-Q453 VanDerWaalsContact CB-NE2 3.31Å; T391-Q453 PolarHBondContact OG1-NE2 3.18Å; T391-Q453 VanDerWaalsContact OG1-NE2 3.08Å; S449-Q453 WeakPolarHBondContact O-CB 3.23Å; S449-Q453 PolarHBondContact O-N 3.24Å; Q453-K455 VanDerWaalsContact C-N 3.34Å; Q453-K455 PolarHBondContact O-N 3.11Å; Q453-L456 PolarHBondContact O-N 2.92Å; Q453-F457 WeakPolarHBondContact O-CB 3.29Å; Q453-F457 PolarHBondContact O-N 3.03Å
454T98.8Very high98.6Very high69 Ų6946.5 Ų46.542%0.42324%0.238SC..Hα-helixtrans-62.4-41.2175.1-59.40000111.3L387 L450 R452 G458L387-T454 WeakPolarHBondContact CD2-OG1 3.44Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 PolarHBondContact O-N 3.46Å; L450-T454 PolarHBondContact O-OG1 3.07Å; R452-T454 VanDerWaalsContact C-N 3.33Å; T454-G458 PolarHBondContact O-N 2.69Å
455K98.7Very high98.6Very high117 Ų11744 Ų4451%0.50924%0.235SC..Hα-helixtrans-63.7-48.1174.7-177.3-177176-65.30111.6K451 R452 Q453 F457 G458 D459K451-K455 WeakPolarHBondContact O-CB 3.39Å; K451-K455 PolarHBondContact O-N 3.12Å; R452-K455 PolarHBondContact O-N 3.08Å; Q453-K455 VanDerWaalsContact C-N 3.34Å; Q453-K455 PolarHBondContact O-N 3.11Å; K455-F457 PolarHBondContact O-N 3.19Å; K455-G458 PolarHBondContact O-N 3.23Å; K455-D459 IonicContact NZ-OD2 3.92Å; K455-D459 PolarHBondContact NZ-OD2 3.23Å; K455-D459 WeakPolarHBondContact O-CB 3.23Å; K455-D459 VanDerWaalsContact O-CG 3.29Å; K455-D459 PolarHBondContact O-N 2.65Å
456L98.8Very high98.3Very high5 Ų550.2 Ų50.23%0.02626%0.264CS..Hα-helixtrans-55.6-51.1176.6171.863.2000110.7F355 T391 F405 F409 R452 Q453 G458 D459 M460F355-L456 HydrophobicContact CD1-CD2 4.47Å; T391-L456 HydrophobicContact CG2-CD2 3.8Å; T391-L456 HydrophobicContact CG2-CG 3.95Å; F405-L456 HydrophobicContact CB-CD1 3.87Å; F409-L456 HydrophobicContact CB-CB 4.36Å; F409-L456 HydrophobicContact CB-CD1 4.13Å; F409-L456 HydrophobicContact CB-CD2 4.06Å; F409-L456 HydrophobicContact CB-CG 4.41Å; F409-L456 HydrophobicContact CD1-CD2 3.53Å; F409-L456 HydrophobicContact CD2-CB 4Å; F409-L456 HydrophobicContact CD2-CD2 4.14Å; F409-L456 HydrophobicContact CE1-CD2 3.92Å; F409-L456 HydrophobicContact CG-CB 4.16Å; F409-L456 HydrophobicContact CG-CD2 3.64Å; F409-L456 HydrophobicContact CG-CG 4.32Å; F409-L456 HydrophobicContact CZ-CD2 4.41Å; R452-L456 PolarHBondContact O-N 2.9Å; Q453-L456 PolarHBondContact O-N 2.92Å; L456-G458 VanDerWaalsContact C-N 3.33Å; L456-G458 PolarHBondContact O-N 3.15Å; L456-D459 PolarHBondContact O-N 3.38Å; L456-M460 HydrophobicContact CD1-CG 3.95Å; L456-M460 HydrophobicContact CD1-SD 3.6Å; L456-M460 VanDerWaalsContact CD1-SD 3.6Å; L456-M460 HydrophobicContact CD2-SD 4.35Å; L456-M460 HydrophobicContact CG-CG 4.45Å; L456-M460 HydrophobicContact CG-SD 3.7Å; L456-M460 WeakPolarHBondContact O-CB 3.38Å; L456-M460 VanDerWaalsContact O-CG 3.23Å; L456-M460 WeakPolarHBondContact O-CG 3.3Å; L456-M460 PolarHBondContact O-N 2.74Å
457F98.7Very high98.1Very high48 Ų4854.7 Ų54.721%0.21129%0.285CS..Hα-helixtrans-58.8-43.8177.7-174.8-112.8000112.1L381 L387 A390 T391 L394 Q453 K455 M460 V461L381-F457 HydrophobicContact CD1-CE1 4.4Å; L387-F457 HydrophobicContact CD1-CB 4.15Å; L387-F457 HydrophobicContact CD1-CD1 4.17Å; L387-F457 HydrophobicContact CD1-CG 4.18Å; A390-F457 HydrophobicContact CB-CE2 4.11Å; A390-F457 HydrophobicContact CB-CZ 4.37Å; T391-F457 HydrophobicContact CG2-CB 4.48Å; T391-F457 HydrophobicContact CG2-CD2 4.44Å; L394-F457 HydrophobicContact CD2-CD2 4.4Å; L394-F457 HydrophobicContact CD2-CE2 4.19Å; Q453-F457 WeakPolarHBondContact O-CB 3.29Å; Q453-F457 PolarHBondContact O-N 3.03Å; K455-F457 PolarHBondContact O-N 3.19Å; F457-M460 PolarHBondContact O-N 3.15Å; F457-V461 HydrophobicContact CD1-CG2 4.44Å; F457-V461 HydrophobicContact CD2-CG2 4.47Å; F457-V461 HydrophobicContact CE1-CG2 4.12Å; F457-V461 HydrophobicContact CE2-CG2 4.17Å; F457-V461 HydrophobicContact CZ-CG2 3.98Å; F457-V461 WeakPolarHBondContact O-CB 3.44Å; F457-V461 VanDerWaalsContact O-CG2 3.26Å; F457-V461 WeakPolarHBondContact O-CG2 3.35Å; F457-V461 PolarHBondContact O-N 3.33Å
458G98.6Very high97.9Very high27 Ų2754.6 Ų54.628%0.27828%0.282SS..Hα-helixtrans-61.5-48.3176.200000113.3T454 K455 L456 M460 V461 I462T454-G458 PolarHBondContact O-N 2.69Å; K455-G458 PolarHBondContact O-N 3.23Å; L456-G458 VanDerWaalsContact C-N 3.33Å; L456-G458 PolarHBondContact O-N 3.15Å; G458-M460 PolarHBondContact O-N 3.39Å; G458-V461 PolarHBondContact O-N 3.05Å; G458-I462 VanDerWaalsContact O-CG1 3.26Å; G458-I462 WeakPolarHBondContact O-CG1 3.3Å; G458-I462 PolarHBondContact O-N 3.25Å
459D98.6Very high97.8Very high49 Ų4963 Ų6326%0.26232%0.319SS..Hα-helixtrans-62.8-42.9178.6-68-20.2000110.9F405 K455 L456 I462 S463F405-D459 HydrophobicContact CD1-CB 3.99Å; F405-D459 HydrophobicContact CE1-CB 4.11Å; K455-D459 IonicContact NZ-OD2 3.92Å; K455-D459 PolarHBondContact NZ-OD2 3.23Å; K455-D459 WeakPolarHBondContact O-CB 3.23Å; K455-D459 VanDerWaalsContact O-CG 3.29Å; K455-D459 PolarHBondContact O-N 2.65Å; L456-D459 PolarHBondContact O-N 3.38Å; D459-I462 PolarHBondContact O-N 3.25Å; D459-S463 WeakPolarHBondContact O-CB 3.49Å; D459-S463 PolarHBondContact O-N 2.83Å; D459-S463 PolarHBondContact O-OG 3.33Å
460M98.7Very high97.7Very high0 Ų070.6 Ų70.60%036%0.358CS..Hα-helixtrans-62.2-43.3174.5-69.9171.863.500112F355 T391 L394 Y402 L456 F457 G458 G464F355-M460 HydrophobicContact CD1-CE 3.88Å; F355-M460 HydrophobicContact CD1-SD 3.93Å; F355-M460 HydrophobicContact CE1-CE 3.74Å; F355-M460 HydrophobicContact CE1-SD 4.1Å; F355-M460 HydrophobicContact CZ-CE 4.47Å; T391-M460 HydrophobicContact CG2-CE 4.23Å; T391-M460 HydrophobicContact CG2-SD 3.64Å; L394-M460 HydrophobicContact CB-CE 4.17Å; L394-M460 HydrophobicContact CD2-CB 3.73Å; L394-M460 HydrophobicContact CD2-CE 4.27Å; L394-M460 HydrophobicContact CG-CE 4.04Å; Y402-M460 HydrophobicContact CD1-CB 3.88Å; Y402-M460 HydrophobicContact CD1-CE 3.97Å; Y402-M460 HydrophobicContact CD1-CG 3.65Å; Y402-M460 HydrophobicContact CD2-CE 4.14Å; Y402-M460 HydrophobicContact CE1-CB 3.75Å; Y402-M460 HydrophobicContact CE1-CE 4.44Å; Y402-M460 HydrophobicContact CE1-CG 4.09Å; Y402-M460 WeakPolarHBondContact CE1-O 3.5Å; Y402-M460 HydrophobicContact CG-CE 3.79Å; Y402-M460 HydrophobicContact CG-CG 4.35Å; L456-M460 HydrophobicContact CD1-CG 3.95Å; L456-M460 HydrophobicContact CD1-SD 3.6Å; L456-M460 VanDerWaalsContact CD1-SD 3.6Å; L456-M460 HydrophobicContact CD2-SD 4.35Å; L456-M460 HydrophobicContact CG-CG 4.45Å; L456-M460 HydrophobicContact CG-SD 3.7Å; L456-M460 WeakPolarHBondContact O-CB 3.38Å; L456-M460 VanDerWaalsContact O-CG 3.23Å; L456-M460 WeakPolarHBondContact O-CG 3.3Å; L456-M460 PolarHBondContact O-N 2.74Å; F457-M460 PolarHBondContact O-N 3.15Å; G458-M460 PolarHBondContact O-N 3.39Å; M460-G464 WeakPolarHBondContact O-CA 3.21Å; M460-G464 PolarHBondContact O-N 2.79Å
461V98.5Very high97.4Very high60 Ų6074.9 Ų74.936%0.36437%0.372SS..Hα-helixtrans-64-42176.5166.70000111.3L394 F457 G458 S465L394-V461 HydrophobicContact CD2-CG2 3.71Å; F457-V461 HydrophobicContact CD1-CG2 4.44Å; F457-V461 HydrophobicContact CD2-CG2 4.47Å; F457-V461 HydrophobicContact CE1-CG2 4.12Å; F457-V461 HydrophobicContact CE2-CG2 4.17Å; F457-V461 HydrophobicContact CZ-CG2 3.98Å; F457-V461 WeakPolarHBondContact O-CB 3.44Å; F457-V461 VanDerWaalsContact O-CG2 3.26Å; F457-V461 WeakPolarHBondContact O-CG2 3.35Å; F457-V461 PolarHBondContact O-N 3.33Å; G458-V461 PolarHBondContact O-N 3.05Å; V461-S465 VanDerWaalsContact O-CB 3.31Å; V461-S465 WeakPolarHBondContact O-CB 3.44Å; V461-S465 PolarHBondContact O-N 2.68Å; V461-S465 PolarHBondContact O-OG 2.75Å
462I98.2Very high97.1Very high106 Ų10678.7 Ų78.754%0.54438%0.384SS..Hα-helixtrans-64.3-57.2178.4-69.6163.8000110.2G458 D459 G464 S465G458-I462 VanDerWaalsContact O-CG1 3.26Å; G458-I462 WeakPolarHBondContact O-CG1 3.3Å; G458-I462 PolarHBondContact O-N 3.25Å; D459-I462 PolarHBondContact O-N 3.25Å; I462-G464 PolarHBondContact O-N 3.35Å; I462-S465 WeakPolarHBondContact O-CB 3.45Å; I462-S465 PolarHBondContact O-N 3.05Å
463S97.6Very high96.8Very high25 Ų2581.7 Ų81.718%0.17540%0.404CS..Hα-helixtrans-65.7-37.2-177.5-60.40000112.6F405 D459 E466 H467F405-S463 WeakPolarHBondContact CZ-OG 3.44Å; D459-S463 WeakPolarHBondContact O-CB 3.49Å; D459-S463 PolarHBondContact O-N 2.83Å; D459-S463 PolarHBondContact O-OG 3.33Å; S463-E466 PolarHBondContact O-N 3.4Å; S463-H467 PolarHBondContact O-ND1 3.48Å
464G97.8Very high96.2Very high9 Ų987.7 Ų87.79%0.09344%0.436CS..Hα-helixtrans-65.6-34.4174.900000113.5Y402 M460 I462 E466 H467 M468Y402-G464 VanDerWaalsContact OH-CA 3.29Å; Y402-G464 WeakPolarHBondContact OH-CA 3.21Å; M460-G464 WeakPolarHBondContact O-CA 3.21Å; M460-G464 PolarHBondContact O-N 2.79Å; I462-G464 PolarHBondContact O-N 3.35Å; G464-E466 VanDerWaalsContact C-N 3.31Å; G464-E466 PolarHBondContact O-N 3.15Å; G464-H467 CarbonylContact O-C 3.47Å; G464-H467 PolarHBondContact O-N 2.96Å; G464-M468 PolarHBondContact O-N 2.95Å; G464-M468 VanDerWaalsContact O-N 3.07Å
465S97.2Very high95.5Very high62 Ų6292.6 Ų92.643%0.43446%0.459SS..Hα-helixtrans-61.2-39.8176.9-66.50000112V461 I462 H467 M468V461-S465 VanDerWaalsContact O-CB 3.31Å; V461-S465 WeakPolarHBondContact O-CB 3.44Å; V461-S465 PolarHBondContact O-N 2.68Å; V461-S465 PolarHBondContact O-OG 2.75Å; I462-S465 WeakPolarHBondContact O-CB 3.45Å; I462-S465 PolarHBondContact O-N 3.05Å; S465-H467 PolarHBondContact O-N 3.2Å; S465-M468 WeakPolarHBondContact O-CB 3.4Å; S465-M468 WeakPolarHBondContact O-CG 3.5Å; S465-M468 PolarHBondContact O-N 2.81Å
466E94.1Very high94.8Very high131 Ų13196.6 Ų96.661%0.61249%0.486SS*.Hα-helixtrans-66.8-24.5175.9-60-175.9159.100112.7S463 G464 R471S463-E466 PolarHBondContact O-N 3.4Å; G464-E466 VanDerWaalsContact C-N 3.31Å; G464-E466 PolarHBondContact O-N 3.15Å; E466-R471 WeakPolarHBondContact O-CD 3.5Å
467H93.1Very high94.6Very high94 Ų94101.2 Ų101.244%0.43551%0.509SS..Hα-helixtrans-100.12.5-177.5-68.875.8000113.9F401 S463 G464 S465 R471F401-H467 HydrophobicContact CE2-CB 4.49Å; F401-H467 AromaticContact CE2-CD2 3.6Å; F401-H467 AromaticContact CE2-CE1 3.53Å; F401-H467 AromaticContact CE2-CG 3.61Å; F401-H467 AromaticContact CE2-ND1 3.56Å; F401-H467 AromaticContact CE2-NE2 3.58Å; F401-H467 HydrophobicContact CZ-CB 4.27Å; F401-H467 AromaticContact CZ-CE1 3.61Å; F401-H467 AromaticContact CZ-CG 3.6Å; F401-H467 AromaticContact CZ-ND1 3.27Å; F401-H467 VanDerWaalsContact CZ-ND1 3.27Å; F401-H467 WeakPolarHBondContact CZ-ND1 3.32Å; S463-H467 PolarHBondContact O-ND1 3.48Å; G464-H467 CarbonylContact O-C 3.47Å; G464-H467 PolarHBondContact O-N 2.96Å; S465-H467 PolarHBondContact O-N 3.2Å; H467-R471 VanDerWaalsContact C-NH1 3.31Å; H467-R471 PolarHBondContact O-NH1 3.37Å
468M96.3Very high94.4Very high94 Ų94103.9 Ų103.946%0.46353%0.525SS..  trans-53.3144.7177.2-75.2176.569.700112.9G464 S465 L470 R471G464-M468 PolarHBondContact O-N 2.95Å; G464-M468 VanDerWaalsContact O-N 3.07Å; S465-M468 WeakPolarHBondContact O-CB 3.4Å; S465-M468 WeakPolarHBondContact O-CG 3.5Å; S465-M468 PolarHBondContact O-N 2.81Å; M468-L470 PolarHBondContact O-N 3.32Å; M468-R471 WeakPolarHBondContact O-CD 3.37Å; M468-R471 VanDerWaalsContact O-CG 3.25Å; M468-R471 WeakPolarHBondContact O-CG 3.07Å; M468-R471 PolarHBondContact O-NH1 3.45Å
469K96.6Very high94.2Very high217 Ų217108.2 Ų108.294%0.94354%0.538SS*.SBendtrans-62.7-28172.7-67.5174.1-178.2167.70112.3R471K469-R471 VanDerWaalsContact C-N 3.29Å; K469-R471 PolarHBondContact O-N 3.16Å; K469-R471 VanDerWaalsContact O-N 3.16Å
470L96Very high93.9Very high158 Ų158111.7 Ų111.783%0.82755%0.554SS**SBendtrans-86.364175.4-171.566.3000110.6M468M468-L470 PolarHBondContact O-N 3.32Å
471R93.4Very high93.6Very high128 Ų128118.7 Ų118.748%0.48359%0.589SS.*  trans-133.2150.6176.775.7-177.8-178.2-93.915.1112.5E466 H467 M468 K469E466-R471 WeakPolarHBondContact O-CD 3.5Å; H467-R471 VanDerWaalsContact C-NH1 3.31Å; H467-R471 PolarHBondContact O-NH1 3.37Å; M468-R471 WeakPolarHBondContact O-CD 3.37Å; M468-R471 VanDerWaalsContact O-CG 3.25Å; M468-R471 WeakPolarHBondContact O-CG 3.07Å; M468-R471 PolarHBondContact O-NH1 3.45Å; K469-R471 VanDerWaalsContact C-N 3.29Å; K469-R471 PolarHBondContact O-N 3.16Å; K469-R471 VanDerWaalsContact O-N 3.16Å
472Y92.3Very high93.3Very high204 Ų204122.6 Ų122.680%0.860%0.604SS**  trans-144.6101.9165.7-170.4-79.9000107.8L474Y472-L474 HydrophobicContact CE1-CD2 3.97Å
473N91.5Very high92.9Very high113 Ų113123.8 Ų123.860%0.60461%0.608SS**  trans-94.4127.4-177.7-59.80.6000108.1
474L86.6Confident92.6Very high126 Ų126131.4 Ų131.466%0.6664%0.642SS**  trans-73.1135.5157.8-60173.3000106.8Y472 D476Y472-L474 HydrophobicContact CE1-CD2 3.97Å; L474-D476 WeakPolarHBondContact CB-OD1 3.25Å
475N84.7Confident92.1Very high172 Ų172141.6 Ų141.692%0.9269%0.688SS**  trans-113.662.3-177.4-173.788.3000108.1
476D84.1Confident91.7Very high200 Ų200148.8 Ų148.8100%1.0771%0.711SS**  trans-122.70-172.359.2-33.9000113.8L474L474-D476 WeakPolarHBondContact CB-OD1 3.25Å

Retrieved 476 of 476 residues in 249.5 ms (Link to these results)

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