A0A2K5L5A1_CERAT Loading...

DNA polymerase

DNA polymerase that functions in several pathways of DNA repair. Involved in base excision repair (BER) responsible for repair of lesions that give rise to abasic (AP) sites in DNA. Also contributes to DNA double-strand break repair by non-homologous end joining and homologous recombination. Has both template-dependent and template-independent (terminal transferase) DNA polymerase activities. Has also a 5'-deoxyribose-5-phosphate lyase (dRP lyase) activity. Repair polymerase that plays a key role in base-excision repair. During this process, the damaged base is excised by specific DNA glycosylases, the DNA backbone is nicked at the abasic site by an apurinic/apyrimidic (AP) endonuclease, and POLB removes 5'-deoxyribose-phosphate from the preincised AP site acting as a 5'-deoxyribose-phosphate lyase (5'-dRP lyase); through its DNA polymerase activity, it adds one nucleotide to the 3' end of the arising single-nucleotide gap. Conducts 'gap-filling' DNA synthesis in a stepwise distributive fashion rather than in a processive fashion as for other DNA polymerases. It is also able to cleave sugar-phosphate bonds 3' to an intact AP site, acting as an AP lyase.

AlphaFold DB , UniProt , Accession A0A2K5L5A1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene POLB, Length 335 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27Very low45Very low243 Ų243162.2 Ų162.2100%1.19782%0.821SS**  089.80-75.2-171.2-90.700109K3M1-K3 PolarHBondContact O-N 2.99Å
2S26.9Very low49.3Very low116 Ų116149.6 Ų149.681%0.81176%0.757SS**  trans-79.3109.3-179-176.10000109R4S2-R4 PolarHBondContact O-N 3.36Å
3K27.7Very low52.8Low202 Ų202138.8 Ų138.888%0.87871%0.707SS**  trans-65.7100.4170.1-75.2179.8177.2179.30106.9M1 K5M1-K3 PolarHBondContact O-N 2.99Å; K3-K5 PolarHBondContact O-N 2.93Å
4R34.1Very low55.9Low244 Ų244131.6 Ų131.692%0.92169%0.685SS**  trans-52.5107.5163.9-72.4-179.3-177.4169.11.1106.6S2 A6S2-R4 PolarHBondContact O-N 3.36Å; R4-A6 PolarHBondContact O-N 3.09Å
5K29.6Very low58.7Low205 Ų205123.3 Ų123.389%0.89164%0.641SS**PPolyproline II helixtrans-57.9122.7169.8-123.1176.2178.7179.40105.9K3K3-K5 PolarHBondContact O-N 2.93Å
6A29.6Very low61.1Low81 Ų81116.6 Ų116.667%0.66961%0.607SS**PPolyproline II helixtrans-51.114517200000109.1R4 Q8R4-A6 PolarHBondContact O-N 3.09Å; A6-Q8 PolarHBondContact O-N 3.22Å; A6-Q8 VanDerWaalsContact O-N 3.09Å
7P41.2Very low63.3Low125 Ų125115.9 Ų115.981%0.81261%0.605SS**PPolyproline II helixtrans-51.2125.1173.921.5-31.1000107.7E9P7-E9 PolarHBondContact O-N 2.86Å
8Q47.1Very low65.2Low183 Ų183109.9 Ų109.986%0.85557%0.573SS**  trans-59104.1-176.3-168.9165.71.600107.6A6 T10A6-Q8 PolarHBondContact O-N 3.22Å; A6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-T10 PolarHBondContact O-N 3.31Å
9E55.6Low66.9Low188 Ų188104.1 Ų104.188%0.87954%0.543SS*.  trans-55.7112.2177.7-115-175.9171.400107.6P7P7-E9 PolarHBondContact O-N 2.86Å
10T83.7Confident68.4Low95 Ų95101.9 Ų101.958%0.58353%0.534SS*.  trans-78.5126.2177.353.40000107.7Q8 N12 G13Q8-T10 PolarHBondContact O-N 3.31Å; T10-N12 PolarHBondContact O-N 3.09Å; T10-G13 PolarHBondContact O-N 3.33Å; T10-G13 WeakPolarHBondContact OG1-CA 3.27Å; T10-G13 PolarHBondContact OG1-N 2.89Å
11L93Very high69.8Low102 Ų10299.9 Ų99.953%0.53452%0.522SS..THydrogen-bonded Turntrans-50.3-30.3-172.5-70.8170.9000114.2P50L11-P50 VanDerWaalsContact CD1-C 3.5Å; L11-P50 VanDerWaalsContact CD1-O 3.27Å; L11-P50 WeakPolarHBondContact CD1-O 3.37Å
12N96.5Very high73.2Confident11 Ų1188.3 Ų88.36%0.05947%0.465CS..THydrogen-bonded Turntrans-125.324.7-175.3-58.8-62.3000112.8T10 G14 I15 T16 I46 Y51 I53T10-N12 PolarHBondContact O-N 3.09Å; N12-G14 PolarHBondContact O-N 2.81Å; N12-I15 WeakPolarHBondContact O-CB 3.33Å; N12-I15 PolarHBondContact O-N 3.44Å; N12-T16 PolarHBondContact O-N 3.5Å; N12-T16 PolarHBondContact O-OG1 2.93Å; N12-I46 HydrophobicContact CB-CG2 3.61Å; N12-I46 PolarHBondContact ND2-O 3.03Å; N12-Y51 PolarHBondContact ND2-O 3.29Å; N12-I53 PolarHBondContact OD1-N 2.88Å
13G94.7Very high76.6Confident10 Ų1082.8 Ų82.810%0.10343%0.426CS..Hα-helixtrans-49.3-49.2-172.600000114.5T10 I15 T16 D17T10-G13 PolarHBondContact O-N 3.33Å; T10-G13 WeakPolarHBondContact OG1-CA 3.27Å; T10-G13 PolarHBondContact OG1-N 2.89Å; G13-I15 VanDerWaalsContact C-N 3.29Å; G13-I15 PolarHBondContact O-N 3.03Å; G13-T16 WeakPolarHBondContact CA-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.91Å; G13-T16 VanDerWaalsContact O-N 3.15Å; G13-T16 PolarHBondContact O-OG1 2.83Å; G13-D17 WeakPolarHBondContact O-CB 3.46Å; G13-D17 PolarHBondContact O-N 2.79Å
14G96.4Very high79.8Confident38 Ų3876.3 Ų76.339%0.39240%0.401SS..Hα-helixtrans-59.3-36.7178.500000114.1N12 M18 F76N12-G14 PolarHBondContact O-N 2.81Å; G14-M18 WeakPolarHBondContact O-CB 3.36Å; G14-M18 PolarHBondContact O-N 3Å; G14-M18 VanDerWaalsContact O-N 3.1Å; G14-F76 VanDerWaalsContact C-CE1 3.5Å; G14-F76 VanDerWaalsContact C-CZ 3.49Å; G14-F76 WeakPolarHBondContact O-CZ 3.4Å
15I97.8Very high82.8Confident6 Ų665.8 Ų65.83%0.03136%0.362CS..Hα-helixtrans-70.2-45.8176.4-64170.2000110N12 G13 D17 M18 L19 I46 I53 I73 F76 L77N12-I15 WeakPolarHBondContact O-CB 3.33Å; N12-I15 PolarHBondContact O-N 3.44Å; G13-I15 VanDerWaalsContact C-N 3.29Å; G13-I15 PolarHBondContact O-N 3.03Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.46Å; I15-M18 HydrophobicContact CG2-CE 4.36Å; I15-M18 PolarHBondContact O-N 2.99Å; I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.2Å; I15-L19 PolarHBondContact O-N 3.04Å; I15-I46 HydrophobicContact CG2-CD1 3.97Å; I15-I46 HydrophobicContact CG2-CG2 4.16Å; I15-I53 HydrophobicContact CD1-CB 4.07Å; I15-I53 HydrophobicContact CD1-CD1 4.45Å; I15-I53 HydrophobicContact CD1-CG2 4.25Å; I15-I73 HydrophobicContact CD1-CG2 3.98Å; I15-I73 HydrophobicContact CG2-CD1 4Å; I15-I73 HydrophobicContact CG2-CG1 3.85Å; I15-F76 HydrophobicContact CG1-CD1 3.9Å; I15-F76 HydrophobicContact CG1-CE1 4.12Å; I15-L77 HydrophobicContact CD1-CD2 4.27Å
16T97.5Very high86Confident16 Ų1656.4 Ų56.410%0.09832%0.321CS..Hα-helixtrans-66.1-35.3-178.753.20000112N12 G13 L19 T20 A43 I46 A47N12-T16 PolarHBondContact O-N 3.5Å; N12-T16 PolarHBondContact O-OG1 2.93Å; G13-T16 WeakPolarHBondContact CA-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.91Å; G13-T16 VanDerWaalsContact O-N 3.15Å; G13-T16 PolarHBondContact O-OG1 2.83Å; T16-L19 PolarHBondContact O-N 3.34Å; T16-T20 WeakPolarHBondContact O-CB 3.41Å; T16-T20 PolarHBondContact O-N 3.14Å; T16-T20 PolarHBondContact O-OG1 3.13Å; T16-A43 WeakPolarHBondContact CG2-O 3.45Å; T16-I46 HydrophobicContact CG2-CB 4.2Å; T16-I46 HydrophobicContact CG2-CG2 3.77Å; T16-A47 HydrophobicContact CG2-CB 4.04Å
17D97.1Very high89.2Confident106 Ų10656.3 Ų56.357%0.56731%0.306SS*.Hα-helixtrans-68.3-45.9176.8-67.3-13.4000110.9G13 I15 L19 T20 E21G13-D17 WeakPolarHBondContact O-CB 3.46Å; G13-D17 PolarHBondContact O-N 2.79Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.46Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.87Å; D17-T20 PolarHBondContact O-N 2.71Å; D17-T20 VanDerWaalsContact O-N 3.15Å; D17-E21 PolarHBondContact O-N 3.47Å
18M97.9Very high91.8Very high7 Ų751 Ų513%0.03427%0.271CS..Hα-helixtrans-54.7-47173176.6-163.363.900111.6G14 I15 T20 E21 L22 K72 I73 F76 L82 L85G14-M18 WeakPolarHBondContact O-CB 3.36Å; G14-M18 PolarHBondContact O-N 3Å; G14-M18 VanDerWaalsContact O-N 3.1Å; I15-M18 HydrophobicContact CG2-CE 4.36Å; I15-M18 PolarHBondContact O-N 2.99Å; M18-T20 VanDerWaalsContact C-N 3.34Å; M18-E21 PolarHBondContact O-N 3.43Å; M18-L22 HydrophobicContact CG-CD1 4.38Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 2.76Å; M18-K72 HydrophobicContact CE-CB 4.31Å; M18-K72 HydrophobicContact SD-CB 4.49Å; M18-I73 HydrophobicContact CE-CG1 4.26Å; M18-F76 HydrophobicContact CB-CD2 4.45Å; M18-F76 HydrophobicContact CE-CB 4.41Å; M18-F76 HydrophobicContact CG-CD2 4.47Å; M18-F76 HydrophobicContact SD-CB 3.71Å; M18-F76 HydrophobicContact SD-CD2 3.89Å; M18-F76 HydrophobicContact SD-CG 3.9Å; M18-L82 HydrophobicContact CG-CB 4.38Å; M18-L82 HydrophobicContact CG-CD2 4.19Å; M18-L82 HydrophobicContact SD-CB 4.02Å; M18-L82 HydrophobicContact SD-CD1 4.38Å; M18-L82 HydrophobicContact SD-CD2 3.94Å; M18-L82 HydrophobicContact SD-CG 4.33Å; M18-L85 HydrophobicContact CB-CD1 4.35Å; M18-L85 HydrophobicContact CG-CD1 3.71Å
19L98.1Very high94Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-68.9-34.3179.6-65173.9000112.1I15 T16 D17 L22 A23 Y39 A42 A43 I46 I69I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 HydrophobicContact CG2-CG 4.45Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.2Å; I15-L19 PolarHBondContact O-N 3.04Å; T16-L19 PolarHBondContact O-N 3.34Å; D17-L19 VanDerWaalsContact C-N 3.32Å; D17-L19 PolarHBondContact O-N 2.87Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 3.45Å; L19-Y39 HydrophobicContact CD2-CD1 3.77Å; L19-Y39 HydrophobicContact CD2-CE1 4.1Å; L19-A42 HydrophobicContact CD1-CB 4.14Å; L19-A43 HydrophobicContact CB-CB 4Å; L19-A43 HydrophobicContact CD1-CB 4.47Å; L19-I46 HydrophobicContact CD1-CD1 3.69Å; L19-I69 HydrophobicContact CD1-CG2 4.3Å; L19-I69 HydrophobicContact CD2-CG2 3.75Å
20T97.3Very high95.9Very high60 Ų6036.7 Ų36.737%0.36821%0.211SC..Hα-helixtrans-67.1-41.8176-61.10000111.3T16 D17 M18 A23 N24T16-T20 WeakPolarHBondContact O-CB 3.41Å; T16-T20 PolarHBondContact O-N 3.14Å; T16-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 PolarHBondContact O-N 2.71Å; D17-T20 VanDerWaalsContact O-N 3.15Å; M18-T20 VanDerWaalsContact C-N 3.34Å; T20-A23 WeakPolarHBondContact O-CB 3.4Å; T20-A23 PolarHBondContact O-N 3.48Å; T20-N24 PolarHBondContact O-N 3.26Å; T20-N24 PolarHBondContact O-ND2 3.12Å
21E97.4Very high96.4Very high60 Ų6037.2 Ų37.228%0.2821%0.207SC..Hα-helixtrans-64-43.8175.2-167.8178.8159.900111.7D17 M18 A23 N24 F25 L85 R89D17-E21 PolarHBondContact O-N 3.47Å; M18-E21 PolarHBondContact O-N 3.43Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 3.4Å; E21-N24 PolarHBondContact O-N 3.26Å; E21-F25 PolarHBondContact O-N 3.15Å; E21-L85 HydrophobicContact CB-CD1 4.2Å; E21-L85 HydrophobicContact CB-CD2 4.15Å; E21-L85 HydrophobicContact CG-CD1 4.38Å; E21-L85 HydrophobicContact CG-CD2 3.77Å; E21-R89 IonicContact OE1-CZ 3.24Å; E21-R89 IonicContact OE1-NE 3.09Å; E21-R89 PolarHBondContact OE1-NE 3.23Å; E21-R89 IonicContact OE1-NH2 3.77Å; E21-R89 PolarHBondContact OE1-NH2 3.21Å; E21-R89 IonicContact OE2-CZ 3.41Å; E21-R89 IonicContact OE2-NE 2.81Å; E21-R89 IonicContact OE2-NH2 3.52Å; E21-R89 PolarHBondContact OE2-NH2 3.31Å
22L97.9Very high96.6Very high0 Ų033.6 Ų33.60%019%0.191CC..Hα-helixtrans-60.7-41172.6-75.4169.9000112.2M18 L19 F25 E26 Y39 K72 L82 K84 L85M18-L22 HydrophobicContact CG-CD1 4.38Å; M18-L22 WeakPolarHBondContact O-CG 3.41Å; M18-L22 PolarHBondContact O-N 2.76Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.23Å; L22-F25 PolarHBondContact O-N 3.02Å; L22-E26 VanDerWaalsContact O-CG 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.43Å; L22-E26 PolarHBondContact O-N 3.26Å; L22-Y39 HydrophobicContact CB-CD1 4.12Å; L22-Y39 HydrophobicContact CB-CD2 4.15Å; L22-Y39 HydrophobicContact CB-CE1 4.07Å; L22-Y39 HydrophobicContact CB-CE2 4.08Å; L22-Y39 HydrophobicContact CB-CG 4.18Å; L22-Y39 HydrophobicContact CD1-CD1 4.36Å; L22-Y39 HydrophobicContact CD1-CE1 3.76Å; L22-K72 HydrophobicContact CD1-CD 3.8Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.36Å; L22-L82 HydrophobicContact CG-CD2 4.46Å; L22-K84 HydrophobicContact CD2-CD 4.07Å; L22-K84 HydrophobicContact CD2-CG 4.45Å; L22-L85 HydrophobicContact CD2-CD2 3.68Å; L22-L85 HydrophobicContact CD2-CG 4.03Å; L22-L85 HydrophobicContact CG-CD1 4.34Å; L22-L85 HydrophobicContact CG-CD2 3.89Å; L22-L85 HydrophobicContact CG-CG 4.13Å
23A97.6Very high96.5Very high0 Ų037.1 Ų37.10%021%0.21CC..Hα-helixtrans-58.6-50.2175.900000110.4L19 T20 E21 F25 E26 K27 Y36 R40L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 3.45Å; T20-A23 WeakPolarHBondContact O-CB 3.4Å; T20-A23 PolarHBondContact O-N 3.48Å; E21-A23 VanDerWaalsContact C-N 3.33Å; E21-A23 PolarHBondContact O-N 3.4Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 3.11Å; A23-E26 PolarHBondContact O-N 3.26Å; A23-E26 VanDerWaalsContact O-N 3.16Å; A23-K27 PolarHBondContact O-N 3.49Å; A23-Y36 HydrophobicContact CB-CD2 3.81Å; A23-Y36 HydrophobicContact CB-CE2 4.27Å; A23-Y36 WeakPolarHBondContact O-CD2 3.27Å; A23-R40 HydrophobicContact CB-CG 3.85Å
24N95.4Very high96.5Very high65 Ų6544.2 Ų44.235%0.34824%0.24SC..Hα-helixtrans-61.1-41.9-179.5-69.3-21.7000111.7T20 E21 E26 K27 N28T20-N24 PolarHBondContact O-N 3.26Å; T20-N24 PolarHBondContact O-ND2 3.12Å; E21-N24 PolarHBondContact O-N 3.26Å; N24-E26 PolarHBondContact O-N 2.73Å; N24-K27 PolarHBondContact O-N 2.93Å; N24-N28 VanDerWaalsContact O-CB 3.23Å; N24-N28 WeakPolarHBondContact O-CB 3.16Å; N24-N28 PolarHBondContact O-N 3.49Å; N24-N28 PolarHBondContact O-ND2 3.06Å
25F96.9Very high96.5Very high24 Ų2447.8 Ų47.811%0.10524%0.244CC..Hα-helixtrans-57.6-48172.5171.3-95000112.5E21 L22 A23 K27 N28 V29 S30 I88E21-F25 PolarHBondContact O-N 3.15Å; L22-F25 PolarHBondContact O-N 3.02Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 3.11Å; F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 3.28Å; F25-N28 PolarHBondContact O-N 3.41Å; F25-V29 HydrophobicContact CD2-CB 3.78Å; F25-V29 HydrophobicContact CD2-CG1 4.31Å; F25-V29 HydrophobicContact CD2-CG2 3.73Å; F25-V29 HydrophobicContact CE2-CB 3.67Å; F25-V29 HydrophobicContact CE2-CG1 3.71Å; F25-V29 HydrophobicContact CE2-CG2 3.99Å; F25-V29 HydrophobicContact CZ-CB 4.3Å; F25-V29 HydrophobicContact CZ-CG1 4.23Å; F25-V29 WeakPolarHBondContact O-CA 3.44Å; F25-V29 WeakPolarHBondContact O-CB 3.27Å; F25-V29 PolarHBondContact O-N 3.44Å; F25-S30 WeakPolarHBondContact CE1-OG 3.37Å; F25-S30 PolarHBondContact O-N 2.99Å; F25-S30 VanDerWaalsContact O-N 3.15Å; F25-I88 HydrophobicContact CB-CD1 4.38Å; F25-I88 HydrophobicContact CD1-CD1 3.79Å; F25-I88 HydrophobicContact CD2-CB 4.28Å; F25-I88 HydrophobicContact CD2-CD1 3.74Å; F25-I88 HydrophobicContact CD2-CG1 3.86Å; F25-I88 HydrophobicContact CD2-CG2 3.38Å; F25-I88 HydrophobicContact CE1-CD1 3.97Å; F25-I88 HydrophobicContact CE2-CB 4.41Å; F25-I88 HydrophobicContact CE2-CD1 3.89Å; F25-I88 HydrophobicContact CE2-CG1 3.71Å; F25-I88 HydrophobicContact CE2-CG2 3.85Å; F25-I88 HydrophobicContact CG-CD1 3.67Å; F25-I88 HydrophobicContact CG-CG1 4.33Å; F25-I88 HydrophobicContact CG-CG2 4.15Å; F25-I88 HydrophobicContact CZ-CD1 4.01Å; F25-I88 HydrophobicContact CZ-CG1 4.07Å
26E97.5Very high96.5Very high7 Ų748.6 Ų48.63%0.03325%0.247CC..Hα-helixtrans-64.8-35.2-179.2-65.9-73.2179.600111.6L22 A23 N24 S30 Q31 A32 K35 Y39L22-E26 VanDerWaalsContact O-CG 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.43Å; L22-E26 PolarHBondContact O-N 3.26Å; A23-E26 PolarHBondContact O-N 3.26Å; A23-E26 VanDerWaalsContact O-N 3.16Å; N24-E26 PolarHBondContact O-N 2.73Å; E26-S30 CarbonylContact O-C 3.43Å; E26-S30 WeakPolarHBondContact OE2-CB 3.41Å; E26-Q31 PolarHBondContact O-N 3.25Å; E26-A32 PolarHBondContact O-N 3.44Å; E26-K35 HydrophobicContact CB-CB 3.98Å; E26-K35 VanDerWaalsContact CD-CD 3.49Å; E26-K35 HydrophobicContact CG-CB 3.93Å; E26-K35 HydrophobicContact CG-CD 4.31Å; E26-K35 IonicContact OE1-NZ 2.79Å; E26-K35 WeakPolarHBondContact OE2-CD 3.39Å; E26-K35 IonicContact OE2-NZ 2.67Å; E26-Y39 HydrophobicContact CG-CD2 3.98Å; E26-Y39 HydrophobicContact CG-CE2 3.75Å
27K97.1Very high96.4Very high79 Ų7950.1 Ų50.134%0.34326%0.255SS..Hα-helixtrans-70.8-51.2175.5-176.8-175.1174.7-170.10112.3A23 N24 F25 Q31 Y36 P108A23-K27 PolarHBondContact O-N 3.49Å; N24-K27 PolarHBondContact O-N 2.93Å; F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 3.28Å; K27-Q31 WeakPolarHBondContact O-CA 3.28Å; K27-Y36 HydrophobicContact CB-CD2 3.63Å; K27-Y36 HydrophobicContact CB-CE2 4.27Å; K27-Y36 HydrophobicContact CB-CG 3.88Å; K27-Y36 HydrophobicContact CD-CD2 4Å; K27-Y36 HydrophobicContact CD-CE1 4.43Å; K27-Y36 HydrophobicContact CD-CE2 3.81Å; K27-Y36 HydrophobicContact CD-CG 4.37Å; K27-Y36 HydrophobicContact CG-CD2 4.28Å; K27-Y36 HydrophobicContact CG-CG 4.38Å; K27-P108 WeakPolarHBondContact O-CG 3.48Å
28N94.8Very high96.3Very high15 Ų1547.3 Ų47.38%0.0825%0.246CC..Hα-helixtrans-85.5-43.2-165.6-62-19.5000111.9N24 F25 I97 N98 T101 P108N24-N28 VanDerWaalsContact O-CB 3.23Å; N24-N28 WeakPolarHBondContact O-CB 3.16Å; N24-N28 PolarHBondContact O-N 3.49Å; N24-N28 PolarHBondContact O-ND2 3.06Å; F25-N28 PolarHBondContact O-N 3.41Å; N28-I97 HydrophobicContact CB-CG2 4.31Å; N28-I97 VanDerWaalsContact O-CG2 3.31Å; N28-I97 WeakPolarHBondContact O-CG2 3.3Å; N28-N98 VanDerWaalsContact CB-OD1 3.32Å; N28-N98 WeakPolarHBondContact CB-OD1 3.36Å; N28-N98 PolarHBondContact ND2-OD1 2.91Å; N28-T101 HydrophobicContact CB-CG2 4.16Å; N28-T101 PolarHBondContact ND2-OG1 3.48Å; N28-T101 VanDerWaalsContact ND2-OG1 3.12Å; N28-P108 WeakPolarHBondContact O-CB 3.48Å
29V94.4Very high96.4Very high15 Ų1548 Ų489%0.09125%0.249CC..THydrogen-bonded Turntrans-95.9-52.2-174.8-174.50000110.7F25 Q31 I97 R112F25-V29 HydrophobicContact CD2-CB 3.78Å; F25-V29 HydrophobicContact CD2-CG1 4.31Å; F25-V29 HydrophobicContact CD2-CG2 3.73Å; F25-V29 HydrophobicContact CE2-CB 3.67Å; F25-V29 HydrophobicContact CE2-CG1 3.71Å; F25-V29 HydrophobicContact CE2-CG2 3.99Å; F25-V29 HydrophobicContact CZ-CB 4.3Å; F25-V29 HydrophobicContact CZ-CG1 4.23Å; F25-V29 WeakPolarHBondContact O-CA 3.44Å; F25-V29 WeakPolarHBondContact O-CB 3.27Å; F25-V29 PolarHBondContact O-N 3.44Å; V29-Q31 VanDerWaalsContact C-N 3.33Å; V29-I97 HydrophobicContact CG2-CB 4.4Å; V29-I97 HydrophobicContact CG2-CG2 4.19Å; V29-R112 PolarHBondContact O-NH2 2.99Å
30S94.2Very high96.3Very high55 Ų5550.4 Ų50.439%0.38526%0.258SS..SBendtrans-82.3-11.3-176.3-55.30000113.8F25 E26 A32F25-S30 WeakPolarHBondContact CE1-OG 3.37Å; F25-S30 PolarHBondContact O-N 2.99Å; F25-S30 VanDerWaalsContact O-N 3.15Å; E26-S30 CarbonylContact O-C 3.43Å; E26-S30 WeakPolarHBondContact OE2-CB 3.41Å; S30-A32 PolarHBondContact O-N 3.07Å; S30-A32 VanDerWaalsContact O-N 3.1Å
31Q94.6Very high96.3Very high106 Ų10652 Ų5250%0.49526%0.26SS..  trans52.530-176.8-57.2-179.3-7600113.9E26 K27 V29 P108E26-Q31 PolarHBondContact O-N 3.25Å; K27-Q31 WeakPolarHBondContact O-CA 3.28Å; V29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-P108 HydrophobicContact CG-CB 3.94Å
32A96.7Very high96.3Very high25 Ų2549.2 Ų49.221%0.20725%0.246CC..  trans-101.482.5-175.600000111.7E26 S30 H34 K35 Y36E26-A32 PolarHBondContact O-N 3.44Å; S30-A32 PolarHBondContact O-N 3.07Å; S30-A32 VanDerWaalsContact O-N 3.1Å; A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 2.92Å; A32-K35 HydrophobicContact CB-CB 4.16Å; A32-K35 HydrophobicContact CB-CD 3.99Å; A32-K35 HydrophobicContact CB-CG 4.26Å; A32-K35 PolarHBondContact O-N 2.88Å; A32-K35 VanDerWaalsContact O-N 3.11Å; A32-Y36 PolarHBondContact O-N 3.1Å
33I94.3Very high96.3Very high86 Ų8649.6 Ų49.644%0.44125%0.25SC..Hα-helixtrans-60.6-34.6-173.1-16464000114Y36 N37I33-Y36 HydrophobicContact CD1-CD1 3.72Å; I33-Y36 HydrophobicContact CD1-CE1 4.33Å; I33-Y36 HydrophobicContact CD1-CG 4.44Å; I33-Y36 WeakPolarHBondContact O-CB 3.37Å; I33-Y36 PolarHBondContact O-N 2.86Å; I33-N37 PolarHBondContact O-N 2.78Å; I33-N37 PolarHBondContact O-ND2 2.93Å
34H95.1Very high96.2Very high159 Ų15950 Ų5074%0.73625%0.253SS*.Hα-helixtrans-67-38.4177.8-62.8-64.3000111.9A32 N37 A38A32-H34 VanDerWaalsContact C-N 3.31Å; A32-H34 PolarHBondContact O-N 2.92Å; H34-N37 PolarHBondContact O-N 3.41Å; H34-A38 WeakPolarHBondContact O-CB 3.39Å; H34-A38 PolarHBondContact O-N 2.87Å
35K96.4Very high96.2Very high113 Ų11348.5 Ų48.549%0.49125%0.246SC..Hα-helixtrans-69.8-41.3175.2-70-177.9179.4174.70111.8E26 A32 N37 A38 Y39E26-K35 HydrophobicContact CB-CB 3.98Å; E26-K35 VanDerWaalsContact CD-CD 3.49Å; E26-K35 HydrophobicContact CG-CB 3.93Å; E26-K35 HydrophobicContact CG-CD 4.31Å; E26-K35 IonicContact OE1-NZ 2.79Å; E26-K35 WeakPolarHBondContact OE2-CD 3.39Å; E26-K35 IonicContact OE2-NZ 2.67Å; A32-K35 HydrophobicContact CB-CB 4.16Å; A32-K35 HydrophobicContact CB-CD 3.99Å; A32-K35 HydrophobicContact CB-CG 4.26Å; A32-K35 PolarHBondContact O-N 2.88Å; A32-K35 VanDerWaalsContact O-N 3.11Å; K35-N37 VanDerWaalsContact C-N 3.32Å; K35-N37 PolarHBondContact O-N 3.24Å; K35-A38 PolarHBondContact O-N 2.68Å; K35-Y39 VanDerWaalsContact O-CD2 3.31Å; K35-Y39 WeakPolarHBondContact O-CD2 3.38Å; K35-Y39 PolarHBondContact O-N 2.76Å
36Y97.5Very high96.3Very high23 Ų2347.4 Ų47.49%0.0924%0.241CC..Hα-helixtrans-52.8-50.4171162.8-101.6000111.5A23 K27 A32 I33 A38 Y39 R40A23-Y36 HydrophobicContact CB-CD2 3.81Å; A23-Y36 HydrophobicContact CB-CE2 4.27Å; A23-Y36 WeakPolarHBondContact O-CD2 3.27Å; K27-Y36 HydrophobicContact CB-CD2 3.63Å; K27-Y36 HydrophobicContact CB-CE2 4.27Å; K27-Y36 HydrophobicContact CB-CG 3.88Å; K27-Y36 HydrophobicContact CD-CD2 4Å; K27-Y36 HydrophobicContact CD-CE1 4.43Å; K27-Y36 HydrophobicContact CD-CE2 3.81Å; K27-Y36 HydrophobicContact CD-CG 4.37Å; K27-Y36 HydrophobicContact CG-CD2 4.28Å; K27-Y36 HydrophobicContact CG-CG 4.38Å; A32-Y36 PolarHBondContact O-N 3.1Å; I33-Y36 HydrophobicContact CD1-CD1 3.72Å; I33-Y36 HydrophobicContact CD1-CE1 4.33Å; I33-Y36 HydrophobicContact CD1-CG 4.44Å; I33-Y36 WeakPolarHBondContact O-CB 3.37Å; I33-Y36 PolarHBondContact O-N 2.86Å; Y36-A38 VanDerWaalsContact C-N 3.35Å; Y36-A38 PolarHBondContact O-N 3.4Å; Y36-Y39 PolarHBondContact O-N 3.04Å; Y36-R40 HydrophobicContact CD2-CG 4.41Å; Y36-R40 VanDerWaalsContact CE2-CD 3.4Å; Y36-R40 HydrophobicContact CE2-CG 4.03Å; Y36-R40 PolarHBondContact O-N 3.4Å; Y36-R40 WeakPolarHBondContact OH-CD 3.46Å; Y36-R40 PolarHBondContact OH-NH1 2.88Å
37N95.3Very high96.1Very high48 Ų4850.2 Ų50.226%0.25727%0.265SS..Hα-helixtrans-64.1-38.9178.6-73.1-38.1000112.1I33 H34 K35 R40 K41 K280I33-N37 PolarHBondContact O-N 2.78Å; I33-N37 PolarHBondContact O-ND2 2.93Å; H34-N37 PolarHBondContact O-N 3.41Å; K35-N37 VanDerWaalsContact C-N 3.32Å; K35-N37 PolarHBondContact O-N 3.24Å; N37-R40 PolarHBondContact O-N 3.38Å; N37-K41 WeakPolarHBondContact O-CB 3.32Å; N37-K41 PolarHBondContact O-N 3.25Å; N37-K280 PolarHBondContact OD1-NZ 3.49Å
38A96.7Very high95.9Very high47 Ų4750.7 Ų50.739%0.38827%0.268SS..Hα-helixtrans-62.2-47.317700000112.1H34 K35 Y36 K41 A42H34-A38 WeakPolarHBondContact O-CB 3.39Å; H34-A38 PolarHBondContact O-N 2.87Å; K35-A38 PolarHBondContact O-N 2.68Å; Y36-A38 VanDerWaalsContact C-N 3.35Å; Y36-A38 PolarHBondContact O-N 3.4Å; A38-K41 PolarHBondContact O-N 3.25Å; A38-A42 PolarHBondContact O-N 3.48Å
39Y98.4Very high95.9Very high22 Ų2252.4 Ų52.49%0.08627%0.273CS..Hα-helixtrans-64.3-41.1176.9-78.9-61.9000112.5L19 L22 E26 K35 Y36 A42 A43 I69 K72L19-Y39 HydrophobicContact CD2-CD1 3.77Å; L19-Y39 HydrophobicContact CD2-CE1 4.1Å; L22-Y39 HydrophobicContact CB-CD1 4.12Å; L22-Y39 HydrophobicContact CB-CD2 4.15Å; L22-Y39 HydrophobicContact CB-CE1 4.07Å; L22-Y39 HydrophobicContact CB-CE2 4.08Å; L22-Y39 HydrophobicContact CB-CG 4.18Å; L22-Y39 HydrophobicContact CD1-CD1 4.36Å; L22-Y39 HydrophobicContact CD1-CE1 3.76Å; E26-Y39 HydrophobicContact CG-CD2 3.98Å; E26-Y39 HydrophobicContact CG-CE2 3.75Å; K35-Y39 VanDerWaalsContact O-CD2 3.31Å; K35-Y39 WeakPolarHBondContact O-CD2 3.38Å; K35-Y39 PolarHBondContact O-N 2.76Å; Y36-Y39 PolarHBondContact O-N 3.04Å; Y39-A42 PolarHBondContact O-N 3.08Å; Y39-A43 WeakPolarHBondContact O-CB 3.27Å; Y39-A43 PolarHBondContact O-N 3.19Å; Y39-I69 HydrophobicContact CD1-CD1 4.13Å; Y39-I69 HydrophobicContact CD1-CG1 4.35Å; Y39-I69 HydrophobicContact CE1-CD1 4.3Å; Y39-I69 HydrophobicContact CE1-CG1 4.04Å; Y39-K72 WeakPolarHBondContact OH-CE 3.32Å
40R97.6Very high96Very high49 Ų4955.7 Ų55.719%0.18530%0.295CS..Hα-helixtrans-65.3-38.8175.7-76.2-164.865-151.8-6.2113.2A23 Y36 N37 A43 S44 D276 I277A23-R40 HydrophobicContact CB-CG 3.85Å; Y36-R40 HydrophobicContact CD2-CG 4.41Å; Y36-R40 VanDerWaalsContact CE2-CD 3.4Å; Y36-R40 HydrophobicContact CE2-CG 4.03Å; Y36-R40 PolarHBondContact O-N 3.4Å; Y36-R40 WeakPolarHBondContact OH-CD 3.46Å; Y36-R40 PolarHBondContact OH-NH1 2.88Å; N37-R40 PolarHBondContact O-N 3.38Å; R40-A43 PolarHBondContact O-N 3.32Å; R40-S44 WeakPolarHBondContact O-CB 3.1Å; R40-S44 PolarHBondContact O-N 3Å; R40-D276 IonicContact CZ-OD1 3.63Å; R40-D276 IonicContact CZ-OD2 3.59Å; R40-D276 VanDerWaalsContact CZ-OD2 3.3Å; R40-D276 IonicContact NH1-OD1 3.71Å; R40-D276 IonicContact NH1-OD2 3.35Å; R40-D276 PolarHBondContact NH1-OD2 2.87Å; R40-D276 IonicContact NH2-OD1 3.6Å; R40-D276 PolarHBondContact NH2-OD1 3.01Å; R40-D276 IonicContact NH2-OD2 2.75Å; R40-D276 PolarHBondContact NH2-OD2 3.33Å; R40-D276 VanDerWaalsContact NH2-OD2 3.09Å; R40-I277 HydrophobicContact CB-CD1 4.18Å
41K95.6Very high96.1Very high95 Ų9560.4 Ų60.441%0.41331%0.305SS..Hα-helixtrans-61.6-44.8174-176.4173.4-179.1172.40111N37 A38 S44 V45N37-K41 WeakPolarHBondContact O-CB 3.32Å; N37-K41 PolarHBondContact O-N 3.25Å; A38-K41 PolarHBondContact O-N 3.25Å; K41-S44 PolarHBondContact O-N 3.03Å; K41-V45 PolarHBondContact O-N 3.36Å
42A97.8Very high96.2Very high0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-62.7-43.8175.800000112.4L19 A38 Y39 S44 V45 I46 V65 I69L19-A42 HydrophobicContact CD1-CB 4.14Å; A38-A42 PolarHBondContact O-N 3.48Å; Y39-A42 PolarHBondContact O-N 3.08Å; A42-S44 PolarHBondContact O-N 3.17Å; A42-V45 VanDerWaalsContact O-CG1 3.32Å; A42-V45 WeakPolarHBondContact O-CG1 3.5Å; A42-I46 WeakPolarHBondContact O-CB 3.46Å; A42-I46 WeakPolarHBondContact O-CD1 3.43Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.26Å; A42-I46 PolarHBondContact O-N 3.49Å; A42-I46 VanDerWaalsContact O-N 3.1Å; A42-V65 HydrophobicContact CB-CG2 4.18Å; A42-I69 HydrophobicContact CB-CD1 3.55Å; A42-I69 HydrophobicContact CB-CG2 4.48Å
43A97.9Very high96.3Very high9 Ų961.3 Ų61.37%0.07430%0.303CS..Hα-helixtrans-61.5-44.2176.200000111.7T16 L19 Y39 R40 I46 A47T16-A43 WeakPolarHBondContact CG2-O 3.45Å; L19-A43 HydrophobicContact CB-CB 4Å; L19-A43 HydrophobicContact CD1-CB 4.47Å; Y39-A43 WeakPolarHBondContact O-CB 3.27Å; Y39-A43 PolarHBondContact O-N 3.19Å; R40-A43 PolarHBondContact O-N 3.32Å; A43-I46 PolarHBondContact O-N 2.75Å; A43-A47 VanDerWaalsContact O-CB 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.33Å
44S95.9Very high96.4Very high8 Ų865.7 Ų65.76%0.05632%0.319CS..Hα-helixtrans-61.9-46.4179.1178.90000113.1R40 K41 A42 I46 A47 K48 E335R40-S44 WeakPolarHBondContact O-CB 3.1Å; R40-S44 PolarHBondContact O-N 3Å; K41-S44 PolarHBondContact O-N 3.03Å; A42-S44 PolarHBondContact O-N 3.17Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.49Å; S44-A47 PolarHBondContact O-N 2.71Å; S44-K48 PolarHBondContact O-N 3.39Å; S44-E335 WeakPolarHBondContact CB-O 3.35Å; S44-E335 PolarHBondContact OG-O 3.18Å
45V96.1Very high96.6Very high34 Ų3460 Ų6021%0.20630%0.297CS..Hα-helixtrans-68.1-35.9179.671.80000111.7K41 A42 Y49 L62 P63 V65K41-V45 PolarHBondContact O-N 3.36Å; A42-V45 VanDerWaalsContact O-CG1 3.32Å; A42-V45 WeakPolarHBondContact O-CG1 3.5Å; V45-Y49 PolarHBondContact O-N 2.95Å; V45-L62 HydrophobicContact CG1-CB 4.05Å; V45-L62 HydrophobicContact CG1-CD1 4.47Å; V45-L62 HydrophobicContact CG2-CB 4.03Å; V45-P63 HydrophobicContact CG2-CG 4.26Å; V45-V65 HydrophobicContact CG1-CG2 4.08Å
46I97.4Very high96.7Very high0 Ų054.6 Ų54.60%027%0.273CS..Hα-helixtrans-70.1-37.9176-70.9168.9000111.5N12 I15 T16 L19 A42 A43 S44 K48 Y49 I53 L62 V65 I73N12-I46 HydrophobicContact CB-CG2 3.61Å; N12-I46 PolarHBondContact ND2-O 3.03Å; I15-I46 HydrophobicContact CG2-CD1 3.97Å; I15-I46 HydrophobicContact CG2-CG2 4.16Å; T16-I46 HydrophobicContact CG2-CB 4.2Å; T16-I46 HydrophobicContact CG2-CG2 3.77Å; L19-I46 HydrophobicContact CD1-CD1 3.69Å; A42-I46 WeakPolarHBondContact O-CB 3.46Å; A42-I46 WeakPolarHBondContact O-CD1 3.43Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.26Å; A42-I46 PolarHBondContact O-N 3.49Å; A42-I46 VanDerWaalsContact O-N 3.1Å; A43-I46 PolarHBondContact O-N 2.75Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.49Å; I46-K48 PolarHBondContact O-N 3.5Å; I46-Y49 WeakPolarHBondContact O-CB 3.43Å; I46-Y49 PolarHBondContact O-N 3.39Å; I46-Y49 VanDerWaalsContact O-N 3.11Å; I46-I53 HydrophobicContact CB-CD1 4.32Å; I46-I53 HydrophobicContact CD1-CD1 4.38Å; I46-I53 HydrophobicContact CG1-CD1 3.94Å; I46-I53 HydrophobicContact CG2-CD1 3.64Å; I46-L62 HydrophobicContact CG1-CD1 3.93Å; I46-V65 HydrophobicContact CD1-CG2 4.08Å; I46-V65 HydrophobicContact CG1-CG2 4.29Å; I46-I73 HydrophobicContact CD1-CD1 3.83Å
47A95.1Very high96.7Very high66 Ų6656.6 Ų56.655%0.54530%0.295SS..Hα-helixtrans-60.7-31.8178.800000112.6T16 A43 S44T16-A47 HydrophobicContact CG2-CB 4.04Å; A43-A47 VanDerWaalsContact O-CB 3.32Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 3.33Å; S44-A47 PolarHBondContact O-N 2.71Å
48K92.6Very high96.9Very high90 Ų9056.2 Ų56.239%0.39129%0.292SS..THydrogen-bonded Turntrans-91.3-9.8177.9-64.7174.9-174.2164.80114.1S44 I46 S334 E335S44-K48 PolarHBondContact O-N 3.39Å; I46-K48 PolarHBondContact O-N 3.5Å; K48-S334 WeakPolarHBondContact CE-O 3.37Å; K48-E335 VanDerWaalsContact NZ-CA 3.33Å; K48-E335 IonicContact NZ-OE1 2.9Å; K48-E335 PolarHBondContact NZ-OE1 3.29Å; K48-E335 IonicContact NZ-OE2 2.63Å
49Y95.3Very high96.9Very high51 Ų5154 Ų5420%0.227%0.273CS..  trans-66.3123.1-178.8-175.9-116.6000108.9V45 I46 Y51 I53 E58 L62V45-Y49 PolarHBondContact O-N 2.95Å; I46-Y49 WeakPolarHBondContact O-CB 3.43Å; I46-Y49 PolarHBondContact O-N 3.39Å; I46-Y49 VanDerWaalsContact O-N 3.11Å; Y49-Y51 WeakPolarHBondContact CD1-O 3.36Å; Y49-Y51 HydrophobicContact CE1-CD2 4.25Å; Y49-Y51 HydrophobicContact CE2-CD2 4.1Å; Y49-Y51 AromaticContact CZ-CD2 3.81Å; Y49-Y51 PolarHBondContact O-N 3.16Å; Y49-Y51 VanDerWaalsContact O-N 3.09Å; Y49-I53 HydrophobicContact CD1-CD1 4.12Å; Y49-I53 HydrophobicContact CD1-CG1 3.6Å; Y49-I53 HydrophobicContact CE1-CG1 3.77Å; Y49-E58 VanDerWaalsContact CE1-OE1 3.27Å; Y49-E58 WeakPolarHBondContact CE1-OE1 3.48Å; Y49-E58 PolarHBondContact OH-OE1 3.13Å; Y49-L62 HydrophobicContact CD2-CD1 4.14Å; Y49-L62 HydrophobicContact CD2-CD2 3.64Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 HydrophobicContact CE2-CD2 3.94Å; Y49-L62 HydrophobicContact CG-CD1 4.04Å; Y49-L62 HydrophobicContact CG-CD2 4.38Å
50P95.1Very high96.9Very high84 Ų8457.9 Ų57.955%0.54529%0.29SS..SBendtrans-78.44.5-165.931.3-36.4000113.8L11L11-P50 VanDerWaalsContact CD1-C 3.5Å; L11-P50 VanDerWaalsContact CD1-O 3.27Å; L11-P50 WeakPolarHBondContact CD1-O 3.37Å
51Y95.9Very high96.9Very high154 Ų15464 Ų6460%0.60432%0.318SS*.SBendtrans-124.9151.8-179.5-53.3-70.6000110.8N12 Y49 I53N12-Y51 PolarHBondContact ND2-O 3.29Å; Y49-Y51 WeakPolarHBondContact CD1-O 3.36Å; Y49-Y51 HydrophobicContact CE1-CD2 4.25Å; Y49-Y51 HydrophobicContact CE2-CD2 4.1Å; Y49-Y51 AromaticContact CZ-CD2 3.81Å; Y49-Y51 PolarHBondContact O-N 3.16Å; Y49-Y51 VanDerWaalsContact O-N 3.09Å; Y51-I53 PolarHBondContact O-N 2.83Å
52K97.5Very high97Very high146 Ų14660.6 Ų60.664%0.63531%0.305SS*.  trans-71116.8168.4-177.5172.5-178.5174.40108.8
53I98Very high96.8Very high3 Ų365.1 Ų65.12%0.01533%0.334CS..  trans-65.8134-178.7-66.8175000109.8N12 I15 I46 Y49 Y51 S55 A59 I73 L77N12-I53 PolarHBondContact OD1-N 2.88Å; I15-I53 HydrophobicContact CD1-CB 4.07Å; I15-I53 HydrophobicContact CD1-CD1 4.45Å; I15-I53 HydrophobicContact CD1-CG2 4.25Å; I46-I53 HydrophobicContact CB-CD1 4.32Å; I46-I53 HydrophobicContact CD1-CD1 4.38Å; I46-I53 HydrophobicContact CG1-CD1 3.94Å; I46-I53 HydrophobicContact CG2-CD1 3.64Å; Y49-I53 HydrophobicContact CD1-CD1 4.12Å; Y49-I53 HydrophobicContact CD1-CG1 3.6Å; Y49-I53 HydrophobicContact CE1-CG1 3.77Å; Y51-I53 PolarHBondContact O-N 2.83Å; I53-S55 VanDerWaalsContact CG2-O 3.27Å; I53-S55 WeakPolarHBondContact CG2-O 3.38Å; I53-A59 HydrophobicContact CD1-CB 4.05Å; I53-A59 HydrophobicContact CG2-CB 4.05Å; I53-I73 HydrophobicContact CG2-CG2 4.2Å; I53-L77 HydrophobicContact CG2-CD1 4.45Å
54K98.1Very high96.6Very high178 Ų17866.5 Ų66.577%0.77435%0.349SS*.  trans-109-16-178.2-58.8-179.7-175.1175.20113.8E58K54-E58 PolarHBondContact N-OE2 3.04Å
55S98.4Very high96.7Very high39 Ų3966.5 Ų66.527%0.27335%0.349SS..  trans-155.8159.8175.865.10000112.4I53 A57 E58 A59I53-S55 VanDerWaalsContact CG2-O 3.27Å; I53-S55 WeakPolarHBondContact CG2-O 3.38Å; S55-A57 PolarHBondContact O-N 3.39Å; S55-E58 WeakPolarHBondContact O-CB 3.28Å; S55-E58 PolarHBondContact O-N 3.49Å; S55-E58 PolarHBondContact OG-N 3.39Å; S55-E58 VanDerWaalsContact OG-N 3.13Å; S55-A59 PolarHBondContact O-N 3.2Å; S55-A59 VanDerWaalsContact O-N 3.12Å
56G98.3Very high96.7Very high0 Ų066.6 Ų66.60%036%0.357CS..Hα-helixtrans-59.8-35.1169.200000112.1E58 A59 K60 A70 D74G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.1Å; G56-A59 PolarHBondContact O-N 2.96Å; G56-K60 VanDerWaalsContact O-CB 3.32Å; G56-K60 WeakPolarHBondContact O-CB 3.29Å; G56-K60 PolarHBondContact O-N 3.07Å; G56-A70 WeakPolarHBondContact CA-O 3.38Å; G56-A70 VanDerWaalsContact O-CB 3.29Å; G56-A70 WeakPolarHBondContact O-CB 3.25Å; G56-D74 PolarHBondContact N-OD1 3.25Å
57A98.3Very high96.8Very high66 Ų6670 Ų7055%0.54538%0.378SS..Hα-helixtrans-63.6-37.8175.700000112.7S55S55-A57 PolarHBondContact O-N 3.39Å
58E98.2Very high96.9Very high40 Ų4074.3 Ų74.319%0.18738%0.384CS..Hα-helixtrans-63.6-51171.1-178.3-175.5176.900110.7Y49 K54 S55 G56 K60 K61Y49-E58 VanDerWaalsContact CE1-OE1 3.27Å; Y49-E58 WeakPolarHBondContact CE1-OE1 3.48Å; Y49-E58 PolarHBondContact OH-OE1 3.13Å; K54-E58 PolarHBondContact N-OE2 3.04Å; S55-E58 WeakPolarHBondContact O-CB 3.28Å; S55-E58 PolarHBondContact O-N 3.49Å; S55-E58 PolarHBondContact OG-N 3.39Å; S55-E58 VanDerWaalsContact OG-N 3.13Å; G56-E58 VanDerWaalsContact C-N 3.34Å; G56-E58 PolarHBondContact O-N 3.1Å; E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 3.07Å; E58-K61 WeakPolarHBondContact O-CB 3.48Å; E58-K61 PolarHBondContact O-N 3.41Å; E58-K61 VanDerWaalsContact O-N 3.16Å
59A98Very high97.1Very high0 Ų070.7 Ų70.70%037%0.369CS..Hα-helixtrans-59.9-36.5-179.800000112.8I53 S55 G56 K61 L62 V65 I73I53-A59 HydrophobicContact CD1-CB 4.05Å; I53-A59 HydrophobicContact CG2-CB 4.05Å; S55-A59 PolarHBondContact O-N 3.2Å; S55-A59 VanDerWaalsContact O-N 3.12Å; G56-A59 PolarHBondContact O-N 2.96Å; A59-K61 PolarHBondContact O-N 2.99Å; A59-K61 VanDerWaalsContact O-N 3.13Å; A59-L62 VanDerWaalsContact O-CB 3.25Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 WeakPolarHBondContact O-CG 3.46Å; A59-L62 PolarHBondContact O-N 3.25Å; A59-V65 HydrophobicContact CB-CG1 4.1Å; A59-V65 VanDerWaalsContact O-CB 3.28Å; A59-V65 WeakPolarHBondContact O-CB 3.49Å; A59-V65 WeakPolarHBondContact O-CG1 3.32Å; A59-I73 HydrophobicContact CB-CD1 3.5Å; A59-I73 VanDerWaalsContact CB-CD1 3.5Å
60K98.1Very high97.3Very high103 Ų10368.6 Ų68.645%0.44836%0.362SS..THydrogen-bonded Turntrans-61.6-19-180-164.1-179.6176.4-173.30113.6G56 E58 L62 T67 A70G56-K60 VanDerWaalsContact O-CB 3.32Å; G56-K60 WeakPolarHBondContact O-CB 3.29Å; G56-K60 PolarHBondContact O-N 3.07Å; E58-K60 VanDerWaalsContact C-N 3.27Å; E58-K60 PolarHBondContact O-N 3.07Å; K60-L62 PolarHBondContact O-N 3.05Å; K60-T67 WeakPolarHBondContact CE-OG1 3.27Å; K60-T67 PolarHBondContact NZ-OG1 3.38Å; K60-T67 VanDerWaalsContact NZ-OG1 3.09Å; K60-A70 HydrophobicContact CB-CB 4.08Å; K60-A70 HydrophobicContact CD-CB 4.36Å; K60-A70 HydrophobicContact CG-CB 4.41Å
61K97.8Very high97.5Very high177 Ų17770.1 Ų70.177%0.7736%0.362SS*.THydrogen-bonded Turntrans-70-17.7173.4-60.8180-178.5-179.20112.3E58 A59E58-K61 WeakPolarHBondContact O-CB 3.48Å; E58-K61 PolarHBondContact O-N 3.41Å; E58-K61 VanDerWaalsContact O-N 3.16Å; A59-K61 PolarHBondContact O-N 2.99Å; A59-K61 VanDerWaalsContact O-N 3.13Å
62L97.1Very high97.6Very high25 Ų2564.3 Ų64.313%0.13134%0.34CS..SBendtrans-81.6137.5-179.5-55.8177.3000111.3V45 I46 Y49 A59 K60 G64 V65V45-L62 HydrophobicContact CG1-CB 4.05Å; V45-L62 HydrophobicContact CG1-CD1 4.47Å; V45-L62 HydrophobicContact CG2-CB 4.03Å; I46-L62 HydrophobicContact CG1-CD1 3.93Å; Y49-L62 HydrophobicContact CD2-CD1 4.14Å; Y49-L62 HydrophobicContact CD2-CD2 3.64Å; Y49-L62 HydrophobicContact CD2-CG 4.48Å; Y49-L62 HydrophobicContact CE2-CD2 3.94Å; Y49-L62 HydrophobicContact CG-CD1 4.04Å; Y49-L62 HydrophobicContact CG-CD2 4.38Å; A59-L62 VanDerWaalsContact O-CB 3.25Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 WeakPolarHBondContact O-CG 3.46Å; A59-L62 PolarHBondContact O-N 3.25Å; K60-L62 PolarHBondContact O-N 3.05Å; L62-G64 PolarHBondContact O-N 3.22Å; L62-V65 HydrophobicContact CB-CG2 4.05Å; L62-V65 PolarHBondContact O-N 3.48Å; L62-V65 VanDerWaalsContact O-N 3.09Å
63P94.5Very high97.6Very high94 Ų9457.3 Ų57.361%0.6131%0.31SS*.THydrogen-bonded Turntrans-64.2121.1-179.526.6-34.3000110.9V45V45-P63 HydrophobicContact CG2-CG 4.26Å
64G93.6Very high97.7Very high38 Ų3860.6 Ų60.639%0.39233%0.327SS..THydrogen-bonded Turntrans102.7-5.7-176.800000114.7L62L62-G64 PolarHBondContact O-N 3.22Å
65V97.8Very high97.7Very high8 Ų854.1 Ų54.15%0.04830%0.299CS..  trans-99.2101.3173.2-175.90000110A42 V45 I46 A59 L62 I69 I73A42-V65 HydrophobicContact CB-CG2 4.18Å; V45-V65 HydrophobicContact CG1-CG2 4.08Å; I46-V65 HydrophobicContact CD1-CG2 4.08Å; I46-V65 HydrophobicContact CG1-CG2 4.29Å; A59-V65 HydrophobicContact CB-CG1 4.1Å; A59-V65 VanDerWaalsContact O-CB 3.28Å; A59-V65 WeakPolarHBondContact O-CB 3.49Å; A59-V65 WeakPolarHBondContact O-CG1 3.32Å; L62-V65 HydrophobicContact CB-CG2 4.05Å; L62-V65 PolarHBondContact O-N 3.48Å; L62-V65 VanDerWaalsContact O-N 3.09Å; V65-I69 HydrophobicContact CG1-CB 4.05Å; V65-I69 HydrophobicContact CG1-CG2 3.8Å; V65-I73 HydrophobicContact CG1-CD1 4.48Å
66G96.4Very high97.7Very high37 Ų3754.2 Ų54.238%0.38130%0.295SS..  trans-88.3175.7176.200000113.7K68 I69 A70G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.48Å; G66-I69 PolarHBondContact O-N 3.39Å; G66-A70 PolarHBondContact O-N 3.37Å
67T97.9Very high97.7Very high72 Ų7257.5 Ų57.544%0.44231%0.312SS..Hα-helixtrans-50.1-46.8179.9-52.10000113K60 I69 A70 E71K60-T67 WeakPolarHBondContact CE-OG1 3.27Å; K60-T67 PolarHBondContact NZ-OG1 3.38Å; K60-T67 VanDerWaalsContact NZ-OG1 3.09Å; T67-I69 PolarHBondContact O-N 3.05Å; T67-A70 WeakPolarHBondContact O-CB 3.46Å; T67-A70 PolarHBondContact O-N 2.76Å; T67-E71 WeakPolarHBondContact O-CG 3.4Å; T67-E71 PolarHBondContact O-N 3.4Å
68K97.6Very high97.6Very high156 Ų15658.5 Ų58.568%0.67832%0.32SS*.Hα-helixtrans-63.9-26.1-179.4-67.1-175.6179.7179.60114G66 K72G66-K68 VanDerWaalsContact C-N 3.31Å; G66-K68 PolarHBondContact O-N 3.48Å; K68-K72 WeakPolarHBondContact O-CG 3.29Å; K68-K72 PolarHBondContact O-NZ 2.87Å
69I98.3Very high97.6Very high14 Ų1460.3 Ų60.37%0.07233%0.334CS..Hα-helixtrans-83.4-42.5176.9-65.5-179.4000109L19 Y39 A42 V65 G66 T67 E71 K72 I73L19-I69 HydrophobicContact CD1-CG2 4.3Å; L19-I69 HydrophobicContact CD2-CG2 3.75Å; Y39-I69 HydrophobicContact CD1-CD1 4.13Å; Y39-I69 HydrophobicContact CD1-CG1 4.35Å; Y39-I69 HydrophobicContact CE1-CD1 4.3Å; Y39-I69 HydrophobicContact CE1-CG1 4.04Å; A42-I69 HydrophobicContact CB-CD1 3.55Å; A42-I69 HydrophobicContact CB-CG2 4.48Å; V65-I69 HydrophobicContact CG1-CB 4.05Å; V65-I69 HydrophobicContact CG1-CG2 3.8Å; G66-I69 PolarHBondContact O-N 3.39Å; T67-I69 PolarHBondContact O-N 3.05Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-E71 PolarHBondContact O-N 2.92Å; I69-K72 WeakPolarHBondContact O-CB 3.43Å; I69-K72 PolarHBondContact O-N 3.49Å; I69-K72 VanDerWaalsContact O-N 3.07Å; I69-I73 HydrophobicContact CG2-CD1 3.9Å; I69-I73 HydrophobicContact CG2-CG1 4.36Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.88Å
70A98.4Very high97.5Very high7 Ų763 Ų636%0.05836%0.362CS..Hα-helixtrans-53.7-49174.500000112.1G56 K60 G66 T67 K72 I73 D74G56-A70 WeakPolarHBondContact CA-O 3.38Å; G56-A70 VanDerWaalsContact O-CB 3.29Å; G56-A70 WeakPolarHBondContact O-CB 3.25Å; K60-A70 HydrophobicContact CB-CB 4.08Å; K60-A70 HydrophobicContact CD-CB 4.36Å; K60-A70 HydrophobicContact CG-CB 4.41Å; G66-A70 PolarHBondContact O-N 3.37Å; T67-A70 WeakPolarHBondContact O-CB 3.46Å; T67-A70 PolarHBondContact O-N 2.76Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.97Å; A70-I73 WeakPolarHBondContact O-CB 3.47Å; A70-I73 PolarHBondContact O-N 3.33Å; A70-D74 PolarHBondContact O-N 2.92Å
71E98.6Very high97.3Very high116 Ų11663.4 Ų63.454%0.54236%0.364SS..Hα-helixtrans-57.6-37176.5-70.2164.7176.800113T67 I69 D74 E75T67-E71 WeakPolarHBondContact O-CG 3.4Å; T67-E71 PolarHBondContact O-N 3.4Å; I69-E71 VanDerWaalsContact C-N 3.34Å; I69-E71 PolarHBondContact O-N 2.92Å; E71-D74 PolarHBondContact O-N 3.38Å; E71-E75 PolarHBondContact O-N 2.75Å; E71-E75 VanDerWaalsContact O-N 3.07Å
72K98.5Very high97.3Very high31 Ų3155.3 Ų55.314%0.13533%0.329CS..Hα-helixtrans-71.7-35.7177-68.5175.3-177.7640111.9M18 L22 Y39 K68 I69 A70 E75 F76 L82M18-K72 HydrophobicContact CE-CB 4.31Å; M18-K72 HydrophobicContact SD-CB 4.49Å; L22-K72 HydrophobicContact CD1-CD 3.8Å; Y39-K72 WeakPolarHBondContact OH-CE 3.32Å; K68-K72 WeakPolarHBondContact O-CG 3.29Å; K68-K72 PolarHBondContact O-NZ 2.87Å; I69-K72 WeakPolarHBondContact O-CB 3.43Å; I69-K72 PolarHBondContact O-N 3.49Å; I69-K72 VanDerWaalsContact O-N 3.07Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.97Å; K72-E75 PolarHBondContact O-N 3.15Å; K72-F76 VanDerWaalsContact O-CB 3.28Å; K72-F76 WeakPolarHBondContact O-CB 3.4Å; K72-F76 PolarHBondContact O-N 3.49Å; K72-L82 HydrophobicContact CB-CD1 3.84Å; K72-L82 HydrophobicContact CB-CD2 4.3Å; K72-L82 HydrophobicContact CD-CD2 4Å; K72-L82 HydrophobicContact CG-CD1 3.91Å; K72-L82 HydrophobicContact CG-CD2 4.11Å
73I98.4Very high97.3Very high0 Ų062.7 Ų62.70%036%0.355CS..Hα-helixtrans-65.3-43.1175-68.9171.2000109.6I15 M18 I46 I53 A59 V65 I69 A70 F76 L77I15-I73 HydrophobicContact CD1-CG2 3.98Å; I15-I73 HydrophobicContact CG2-CD1 4Å; I15-I73 HydrophobicContact CG2-CG1 3.85Å; M18-I73 HydrophobicContact CE-CG1 4.26Å; I46-I73 HydrophobicContact CD1-CD1 3.83Å; I53-I73 HydrophobicContact CG2-CG2 4.2Å; A59-I73 HydrophobicContact CB-CD1 3.5Å; A59-I73 VanDerWaalsContact CB-CD1 3.5Å; V65-I73 HydrophobicContact CG1-CD1 4.48Å; I69-I73 HydrophobicContact CG2-CD1 3.9Å; I69-I73 HydrophobicContact CG2-CG1 4.36Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 2.88Å; A70-I73 WeakPolarHBondContact O-CB 3.47Å; A70-I73 PolarHBondContact O-N 3.33Å; I73-F76 PolarHBondContact O-N 3.4Å; I73-L77 HydrophobicContact CG2-CD1 3.69Å; I73-L77 HydrophobicContact CG2-CG 4.13Å; I73-L77 WeakPolarHBondContact O-CB 3.42Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.35Å; I73-L77 PolarHBondContact O-N 2.88Å
74D98.6Very high97.3Very high71 Ų7162.5 Ų62.538%0.3834%0.344SS..Hα-helixtrans-61.2-45.8175.3-72.2-43.3000111.7G56 A70 E71 F76 L77 A78G56-D74 PolarHBondContact N-OD1 3.25Å; A70-D74 PolarHBondContact O-N 2.92Å; E71-D74 PolarHBondContact O-N 3.38Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.98Å; D74-L77 PolarHBondContact O-N 3.06Å; D74-A78 WeakPolarHBondContact O-CB 3.45Å; D74-A78 PolarHBondContact O-N 3.29Å
75E98.5Very high97.4Very high42 Ų4260.9 Ų60.920%0.19633%0.327CS..Hα-helixtrans-59.5-44.6174.5-177.8173.6140.300111.8E71 K72 A78 T79 L82 R83E71-E75 PolarHBondContact O-N 2.75Å; E71-E75 VanDerWaalsContact O-N 3.07Å; K72-E75 PolarHBondContact O-N 3.15Å; E75-A78 PolarHBondContact O-N 3.05Å; E75-T79 WeakPolarHBondContact O-CB 3.34Å; E75-T79 PolarHBondContact O-N 3.46Å; E75-T79 PolarHBondContact O-OG1 2.9Å; E75-L82 HydrophobicContact CB-CD1 4.08Å; E75-L82 HydrophobicContact CG-CD1 4.09Å; E75-R83 WeakPolarHBondContact OE1-CB 3.45Å; E75-R83 WeakPolarHBondContact OE1-CG 3.4Å; E75-R83 PolarHBondContact OE1-N 3.43Å; E75-R83 IonicContact OE1-NE 3.63Å; E75-R83 PolarHBondContact OE1-NE 2.97Å; E75-R83 IonicContact OE2-CZ 3.24Å; E75-R83 IonicContact OE2-NE 2.73Å; E75-R83 PolarHBondContact OE2-NE 2.87Å; E75-R83 IonicContact OE2-NH2 2.92Å; E75-R83 PolarHBondContact OE2-NH2 2.79Å
76F98.3Very high97.3Very high41 Ų4163.3 Ų63.318%0.1834%0.338CS..Hα-helixtrans-66.4-43.2-179.4-177.8-97.1000112.5G14 I15 M18 K72 I73 D74 A78 G80 K81G14-F76 VanDerWaalsContact C-CE1 3.5Å; G14-F76 VanDerWaalsContact C-CZ 3.49Å; G14-F76 WeakPolarHBondContact O-CZ 3.4Å; I15-F76 HydrophobicContact CG1-CD1 3.9Å; I15-F76 HydrophobicContact CG1-CE1 4.12Å; M18-F76 HydrophobicContact CB-CD2 4.45Å; M18-F76 HydrophobicContact CE-CB 4.41Å; M18-F76 HydrophobicContact CG-CD2 4.47Å; M18-F76 HydrophobicContact SD-CB 3.71Å; M18-F76 HydrophobicContact SD-CD2 3.89Å; M18-F76 HydrophobicContact SD-CG 3.9Å; K72-F76 VanDerWaalsContact O-CB 3.28Å; K72-F76 WeakPolarHBondContact O-CB 3.4Å; K72-F76 PolarHBondContact O-N 3.49Å; I73-F76 PolarHBondContact O-N 3.4Å; D74-F76 VanDerWaalsContact C-N 3.34Å; D74-F76 PolarHBondContact O-N 2.98Å; F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 3.37Å; F76-G80 WeakPolarHBondContact CE2-O 3.2Å; F76-G80 WeakPolarHBondContact O-CA 3.34Å; F76-G80 PolarHBondContact O-N 3.44Å; F76-K81 WeakPolarHBondContact CA-O 3.24Å
77L97.9Very high97.2Very high70 Ų7069.3 Ų69.337%0.36635%0.353SS..Hα-helixtrans-66.1-35.6177.8-72.7173.9000111.9I15 I53 I73 D74I15-L77 HydrophobicContact CD1-CD2 4.27Å; I53-L77 HydrophobicContact CG2-CD1 4.45Å; I73-L77 HydrophobicContact CG2-CD1 3.69Å; I73-L77 HydrophobicContact CG2-CG 4.13Å; I73-L77 WeakPolarHBondContact O-CB 3.42Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.35Å; I73-L77 PolarHBondContact O-N 2.88Å; D74-L77 PolarHBondContact O-N 3.06Å
78A97.9Very high96.9Very high86 Ų8666.5 Ų66.571%0.71134%0.335SS*.Hα-helixtrans-76-34.4179.500000113.3D74 E75 F76D74-A78 WeakPolarHBondContact O-CB 3.45Å; D74-A78 PolarHBondContact O-N 3.29Å; E75-A78 PolarHBondContact O-N 3.05Å; F76-A78 VanDerWaalsContact C-N 3.32Å; F76-A78 PolarHBondContact O-N 3.37Å
79T97.1Very high96.6Very high79 Ų7965 Ų6549%0.48533%0.325SS..Hα-helixtrans-117.9-10.3-168.769.80000114.8E75 K81E75-T79 WeakPolarHBondContact O-CB 3.34Å; E75-T79 PolarHBondContact O-N 3.46Å; E75-T79 PolarHBondContact O-OG1 2.9Å; T79-K81 PolarHBondContact O-N 3.1Å; T79-K81 PolarHBondContact OG1-N 2.84Å; T79-K81 PolarHBondContact OG1-O 2.78Å
80G95.4Very high96.4Very high56 Ų5671.6 Ų71.658%0.57736%0.356SS*.SBendtrans72.61.5-172.200000114.5F76F76-G80 WeakPolarHBondContact CE2-O 3.2Å; F76-G80 WeakPolarHBondContact O-CA 3.34Å; F76-G80 PolarHBondContact O-N 3.44Å
81K95.6Very high96.3Very high112 Ų11274.5 Ų74.549%0.48737%0.371SS..SBendtrans-147.8172.4-176.560-177.5175.3-177.40111.9F76 T79 E86F76-K81 WeakPolarHBondContact CA-O 3.24Å; T79-K81 PolarHBondContact O-N 3.1Å; T79-K81 PolarHBondContact OG1-N 2.84Å; T79-K81 PolarHBondContact OG1-O 2.78Å; K81-E86 HydrophobicContact CD-CG 4.39Å
82L97.5Very high96Very high6 Ų674.7 Ų74.73%0.03138%0.375CS..  trans-127116.4174.5-171.574000109.7M18 L22 K72 E75 K84 L85 E86M18-L82 HydrophobicContact CG-CB 4.38Å; M18-L82 HydrophobicContact CG-CD2 4.19Å; M18-L82 HydrophobicContact SD-CB 4.02Å; M18-L82 HydrophobicContact SD-CD1 4.38Å; M18-L82 HydrophobicContact SD-CD2 3.94Å; M18-L82 HydrophobicContact SD-CG 4.33Å; L22-L82 HydrophobicContact CD1-CD2 3.83Å; L22-L82 HydrophobicContact CD2-CD2 4.36Å; L22-L82 HydrophobicContact CG-CD2 4.46Å; K72-L82 HydrophobicContact CB-CD1 3.84Å; K72-L82 HydrophobicContact CB-CD2 4.3Å; K72-L82 HydrophobicContact CD-CD2 4Å; K72-L82 HydrophobicContact CG-CD1 3.91Å; K72-L82 HydrophobicContact CG-CD2 4.11Å; E75-L82 HydrophobicContact CB-CD1 4.08Å; E75-L82 HydrophobicContact CG-CD1 4.09Å; L82-K84 HydrophobicContact CD2-CB 4.11Å; L82-K84 HydrophobicContact CG-CB 4.2Å; L82-K84 PolarHBondContact O-N 2.85Å; L82-K84 VanDerWaalsContact O-N 3.1Å; L82-L85 HydrophobicContact CB-CB 4.42Å; L82-L85 HydrophobicContact CB-CD1 4.47Å; L82-L85 HydrophobicContact CD2-CD1 4.47Å; L82-L85 HydrophobicContact CD2-CG 4.21Å; L82-L85 PolarHBondContact O-N 2.79Å; L82-E86 PolarHBondContact O-N 3.12Å
83R96.6Very high95.8Very high181 Ų18176.2 Ų76.268%0.68339%0.387SS*.Hα-helixtrans-55.2-33.5-178.1-70.3176-66169.4-1.1112.8E75 E86 K87E75-R83 WeakPolarHBondContact OE1-CB 3.45Å; E75-R83 WeakPolarHBondContact OE1-CG 3.4Å; E75-R83 PolarHBondContact OE1-N 3.43Å; E75-R83 IonicContact OE1-NE 3.63Å; E75-R83 PolarHBondContact OE1-NE 2.97Å; E75-R83 IonicContact OE2-CZ 3.24Å; E75-R83 IonicContact OE2-NE 2.73Å; E75-R83 PolarHBondContact OE2-NE 2.87Å; E75-R83 IonicContact OE2-NH2 2.92Å; E75-R83 PolarHBondContact OE2-NH2 2.79Å; R83-E86 PolarHBondContact O-N 3.02Å; R83-K87 PolarHBondContact O-N 3.47Å
84K94.7Very high95.6Very high89 Ų8976.5 Ų76.539%0.38739%0.389SS..Hα-helixtrans-60.4-44.1174.3-178.5177171.966.70111.9L22 L82 I88L22-K84 HydrophobicContact CD2-CD 4.07Å; L22-K84 HydrophobicContact CD2-CG 4.45Å; L82-K84 HydrophobicContact CD2-CB 4.11Å; L82-K84 HydrophobicContact CG-CB 4.2Å; L82-K84 PolarHBondContact O-N 2.85Å; L82-K84 VanDerWaalsContact O-N 3.1Å; K84-I88 HydrophobicContact CG-CD1 4.03Å; K84-I88 WeakPolarHBondContact O-CD1 3.49Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.27Å; K84-I88 PolarHBondContact O-N 3.04Å; K84-I88 VanDerWaalsContact O-N 3.15Å
85L94.8Very high95.4Very high4 Ų475.4 Ų75.42%0.02139%0.387CS..Hα-helixtrans-71.3-39.4177.4-77.3177.9000111.4M18 E21 L22 L82 K87 I88 R89M18-L85 HydrophobicContact CB-CD1 4.35Å; M18-L85 HydrophobicContact CG-CD1 3.71Å; E21-L85 HydrophobicContact CB-CD1 4.2Å; E21-L85 HydrophobicContact CB-CD2 4.15Å; E21-L85 HydrophobicContact CG-CD1 4.38Å; E21-L85 HydrophobicContact CG-CD2 3.77Å; L22-L85 HydrophobicContact CD2-CD2 3.68Å; L22-L85 HydrophobicContact CD2-CG 4.03Å; L22-L85 HydrophobicContact CG-CD1 4.34Å; L22-L85 HydrophobicContact CG-CD2 3.89Å; L22-L85 HydrophobicContact CG-CG 4.13Å; L82-L85 HydrophobicContact CB-CB 4.42Å; L82-L85 HydrophobicContact CB-CD1 4.47Å; L82-L85 HydrophobicContact CD2-CD1 4.47Å; L82-L85 HydrophobicContact CD2-CG 4.21Å; L82-L85 PolarHBondContact O-N 2.79Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.91Å; L85-I88 HydrophobicContact CD2-CD1 4.23Å; L85-I88 WeakPolarHBondContact O-CB 3.39Å; L85-I88 PolarHBondContact O-N 3.15Å; L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 2.92Å
86E95.3Very high95.3Very high59 Ų5974.2 Ų74.228%0.27638%0.383SS..Hα-helixtrans-55.6-45174.8-64.1-64.3106.600111.4K81 L82 R83 I88 R89 Q90K81-E86 HydrophobicContact CD-CG 4.39Å; L82-E86 PolarHBondContact O-N 3.12Å; R83-E86 PolarHBondContact O-N 3.02Å; E86-I88 PolarHBondContact O-N 3.4Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE1-CZ 3.57Å; E86-R89 IonicContact OE1-NH1 2.68Å; E86-R89 PolarHBondContact OE1-NH1 3.43Å; E86-Q90 WeakPolarHBondContact O-CG 3.5Å; E86-Q90 PolarHBondContact O-N 2.85Å; E86-Q90 VanDerWaalsContact O-N 3.17Å
87K94.9Very high95.3Very high163 Ų16372.2 Ų72.271%0.70938%0.375SS*.Hα-helixtrans-64.9-38.3175.1-172.7173.7-178.7175.90112.9R83 L85 Q90 D91R83-K87 PolarHBondContact O-N 3.47Å; L85-K87 VanDerWaalsContact C-N 3.28Å; L85-K87 PolarHBondContact O-N 2.91Å; K87-Q90 PolarHBondContact O-N 3.1Å; K87-D91 PolarHBondContact O-N 2.82Å
88I92.6Very high95.2Very high14 Ų1470.7 Ų70.77%0.07237%0.367CS..Hα-helixtrans-65.8-40.1177.4-72.2163000111F25 K84 L85 E86 Q90 D91F25-I88 HydrophobicContact CB-CD1 4.38Å; F25-I88 HydrophobicContact CD1-CD1 3.79Å; F25-I88 HydrophobicContact CD2-CB 4.28Å; F25-I88 HydrophobicContact CD2-CD1 3.74Å; F25-I88 HydrophobicContact CD2-CG1 3.86Å; F25-I88 HydrophobicContact CD2-CG2 3.38Å; F25-I88 HydrophobicContact CE1-CD1 3.97Å; F25-I88 HydrophobicContact CE2-CB 4.41Å; F25-I88 HydrophobicContact CE2-CD1 3.89Å; F25-I88 HydrophobicContact CE2-CG1 3.71Å; F25-I88 HydrophobicContact CE2-CG2 3.85Å; F25-I88 HydrophobicContact CG-CD1 3.67Å; F25-I88 HydrophobicContact CG-CG1 4.33Å; F25-I88 HydrophobicContact CG-CG2 4.15Å; F25-I88 HydrophobicContact CZ-CD1 4.01Å; F25-I88 HydrophobicContact CZ-CG1 4.07Å; K84-I88 HydrophobicContact CG-CD1 4.03Å; K84-I88 WeakPolarHBondContact O-CD1 3.49Å; K84-I88 VanDerWaalsContact O-CG1 3.25Å; K84-I88 WeakPolarHBondContact O-CG1 3.27Å; K84-I88 PolarHBondContact O-N 3.04Å; K84-I88 VanDerWaalsContact O-N 3.15Å; L85-I88 HydrophobicContact CD2-CD1 4.23Å; L85-I88 WeakPolarHBondContact O-CB 3.39Å; L85-I88 PolarHBondContact O-N 3.15Å; E86-I88 PolarHBondContact O-N 3.4Å; I88-Q90 VanDerWaalsContact C-N 3.29Å; I88-Q90 PolarHBondContact O-N 3.15Å; I88-D91 PolarHBondContact O-N 3.45Å
89R91Very high95.1Very high124 Ų12469 Ų6947%0.46834%0.344SS..Hα-helixtrans-66.6-31.3178.6-68.9164.8-177.6-178.5-9.1112.3E21 L85 E86 D91 S95E21-R89 IonicContact OE1-CZ 3.24Å; E21-R89 IonicContact OE1-NE 3.09Å; E21-R89 PolarHBondContact OE1-NE 3.23Å; E21-R89 IonicContact OE1-NH2 3.77Å; E21-R89 PolarHBondContact OE1-NH2 3.21Å; E21-R89 IonicContact OE2-CZ 3.41Å; E21-R89 IonicContact OE2-NE 2.81Å; E21-R89 IonicContact OE2-NH2 3.52Å; E21-R89 PolarHBondContact OE2-NH2 3.31Å; L85-R89 VanDerWaalsContact O-CG 3.27Å; L85-R89 WeakPolarHBondContact O-CG 3.25Å; L85-R89 PolarHBondContact O-N 2.92Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE1-CZ 3.57Å; E86-R89 IonicContact OE1-NH1 2.68Å; E86-R89 PolarHBondContact OE1-NH1 3.43Å; R89-D91 VanDerWaalsContact C-N 3.33Å; R89-S95 PolarHBondContact O-OG 3.13Å; R89-S95 VanDerWaalsContact O-OG 3.13Å
90Q93.8Very high95.2Very high152 Ų15265.2 Ų65.271%0.7132%0.32SS*.THydrogen-bonded Turntrans-80.1-10.5175.7-70174.4-9.100113.8E86 K87 I88 D92E86-Q90 WeakPolarHBondContact O-CG 3.5Å; E86-Q90 PolarHBondContact O-N 2.85Å; E86-Q90 VanDerWaalsContact O-N 3.17Å; K87-Q90 PolarHBondContact O-N 3.1Å; I88-Q90 VanDerWaalsContact C-N 3.29Å; I88-Q90 PolarHBondContact O-N 3.15Å; Q90-D92 PolarHBondContact O-N 3.27Å
91D95.3Very high95.3Very high69 Ų6963.9 Ų63.937%0.36930%0.301SS..  trans-87.1106.5179-177.975.6000110.5K87 I88 R89 T93 S94 S95K87-D91 PolarHBondContact O-N 2.82Å; I88-D91 PolarHBondContact O-N 3.45Å; R89-D91 VanDerWaalsContact C-N 3.33Å; D91-T93 VanDerWaalsContact C-N 3.25Å; D91-T93 PolarHBondContact O-N 3.02Å; D91-S94 PolarHBondContact O-N 3.39Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD2-CB 3.48Å; D91-S94 PolarHBondContact OD2-N 2.78Å; D91-S94 PolarHBondContact OD2-OG 2.71Å; D91-S95 PolarHBondContact O-N 3.07Å; D91-S95 PolarHBondContact O-OG 3.45Å
92D94.3Very high95.4Very high120 Ų12064.6 Ų64.664%0.64230%0.301SS*.Hα-helixtrans-55.6-39.1-175.8-74.7-11.8000112.8Q90 S96Q90-D92 PolarHBondContact O-N 3.27Å; D92-S96 VanDerWaalsContact O-CB 3.26Å; D92-S96 WeakPolarHBondContact O-CB 3.31Å; D92-S96 PolarHBondContact O-N 2.91Å; D92-S96 PolarHBondContact O-OG 2.76Å
93T94Very high95.5Very high62 Ų6264.3 Ų64.338%0.3830%0.299SS..Hα-helixtrans-65.4-47.6177.9-59.40000111D91 S95 S96 I97 V115D91-T93 VanDerWaalsContact C-N 3.25Å; D91-T93 PolarHBondContact O-N 3.02Å; T93-S95 PolarHBondContact O-N 3.47Å; T93-S96 PolarHBondContact O-N 3.12Å; T93-I97 HydrophobicContact CG2-CD1 3.9Å; T93-I97 WeakPolarHBondContact O-CB 3.27Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.48Å; T93-I97 PolarHBondContact O-N 3.22Å; T93-V115 HydrophobicContact CG2-CG1 4.35Å
94S93.3Very high95.5Very high7 Ų757.3 Ų57.35%0.04928%0.278CS..Hα-helixtrans-61.2-44.2176.6-64.70000111.9D91 N98D91-S94 PolarHBondContact O-N 3.39Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD2-CB 3.48Å; D91-S94 PolarHBondContact OD2-N 2.78Å; D91-S94 PolarHBondContact OD2-OG 2.71Å; S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.44Å; S94-N98 PolarHBondContact O-N 3.49Å; S94-N98 PolarHBondContact O-ND2 2.92Å; S94-N98 VanDerWaalsContact O-ND2 3.13Å
95S94.7Very high95.6Very high47 Ų4754.5 Ų54.533%0.32927%0.274SS..Hα-helixtrans-63-44.4177.9-69.90000111.6R89 D91 T93 N98 F99R89-S95 PolarHBondContact O-OG 3.13Å; R89-S95 VanDerWaalsContact O-OG 3.13Å; D91-S95 PolarHBondContact O-N 3.07Å; D91-S95 PolarHBondContact O-OG 3.45Å; T93-S95 PolarHBondContact O-N 3.47Å; S95-N98 PolarHBondContact O-N 2.92Å; S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 PolarHBondContact O-N 3.31Å
96S97Very high95.8Very high17 Ų1754.7 Ų54.712%0.11928%0.275CS..Hα-helixtrans-63.7-47.8177-58.20000112D92 T93 N98 F99 L100D92-S96 VanDerWaalsContact O-CB 3.26Å; D92-S96 WeakPolarHBondContact O-CB 3.31Å; D92-S96 PolarHBondContact O-N 2.91Å; D92-S96 PolarHBondContact O-OG 2.76Å; T93-S96 PolarHBondContact O-N 3.12Å; S96-N98 PolarHBondContact O-N 2.81Å; S96-F99 PolarHBondContact O-N 3.46Å; S96-L100 VanDerWaalsContact O-CG 3.32Å; S96-L100 WeakPolarHBondContact O-CG 3.4Å; S96-L100 PolarHBondContact O-N 3.2Å
97I97.3Very high95.9Very high0 Ų053.5 Ų53.50%028%0.279CS..Hα-helixtrans-60.3-48.8177.5-70.6172.8000110.4N28 V29 T93 F99 L100 T101 A111 R112 V115N28-I97 HydrophobicContact CB-CG2 4.31Å; N28-I97 VanDerWaalsContact O-CG2 3.31Å; N28-I97 WeakPolarHBondContact O-CG2 3.3Å; V29-I97 HydrophobicContact CG2-CB 4.4Å; V29-I97 HydrophobicContact CG2-CG2 4.19Å; T93-I97 HydrophobicContact CG2-CD1 3.9Å; T93-I97 WeakPolarHBondContact O-CB 3.27Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.48Å; T93-I97 PolarHBondContact O-N 3.22Å; I97-F99 VanDerWaalsContact C-N 3.3Å; I97-F99 PolarHBondContact O-N 2.96Å; I97-L100 PolarHBondContact O-N 2.99Å; I97-T101 HydrophobicContact CG2-CG2 4.43Å; I97-T101 WeakPolarHBondContact O-CG2 3.34Å; I97-T101 PolarHBondContact O-N 3.42Å; I97-T101 PolarHBondContact O-OG1 3.48Å; I97-A111 HydrophobicContact CG2-CB 4.08Å; I97-R112 HydrophobicContact CD1-CB 4.16Å; I97-R112 HydrophobicContact CD1-CG 4.33Å; I97-V115 HydrophobicContact CG1-CG2 4.01Å
98N95.2Very high96Very high37 Ų3747.1 Ų47.120%0.19825%0.254CS..Hα-helixtrans-59.3-42.4178.4-83-41.7000111.8N28 S94 S95 S96 T101N28-N98 VanDerWaalsContact CB-OD1 3.32Å; N28-N98 WeakPolarHBondContact CB-OD1 3.36Å; N28-N98 PolarHBondContact ND2-OD1 2.91Å; S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.44Å; S94-N98 PolarHBondContact O-N 3.49Å; S94-N98 PolarHBondContact O-ND2 2.92Å; S94-N98 VanDerWaalsContact O-ND2 3.13Å; S95-N98 PolarHBondContact O-N 2.92Å; S96-N98 PolarHBondContact O-N 2.81Å; N98-T101 PolarHBondContact O-OG1 3.16Å
99F97.7Very high96.2Very high51 Ų5150.6 Ų50.622%0.22428%0.28CS..Hα-helixtrans-59.9-53.1176.5174.7-100.9000111.9S95 S96 I97 T101 R102 L122 F143S95-F99 WeakPolarHBondContact O-CB 3.43Å; S95-F99 PolarHBondContact O-N 3.31Å; S96-F99 PolarHBondContact O-N 3.46Å; I97-F99 VanDerWaalsContact C-N 3.3Å; I97-F99 PolarHBondContact O-N 2.96Å; F99-T101 VanDerWaalsContact C-N 3.3Å; F99-T101 PolarHBondContact O-N 3.26Å; F99-R102 VanDerWaalsContact O-CB 3.29Å; F99-R102 WeakPolarHBondContact O-CB 3.16Å; F99-R102 PolarHBondContact O-N 3.42Å; F99-R102 VanDerWaalsContact O-N 3.09Å; F99-L122 HydrophobicContact CE1-CB 4.27Å; F99-L122 HydrophobicContact CZ-CB 3.95Å; F99-L122 HydrophobicContact CZ-CD1 4.37Å; F99-F143 HydrophobicContact CE2-CE1 4.27Å; F99-F143 AromaticContact CE2-CZ 3.88Å; F99-F143 HydrophobicContact CE2-CZ 3.88Å; F99-F143 HydrophobicContact CZ-CE1 4.41Å; F99-F143 HydrophobicContact CZ-CZ 4.17Å
100L98.3Very high96.6Very high0 Ų045.9 Ų45.90%027%0.267CS..Hα-helixtrans-63.2-34.9-176.8-65.2174.1000112.7S96 I97 R102 V103 I106 A111 F114 V115 I119 L125S96-L100 VanDerWaalsContact O-CG 3.32Å; S96-L100 WeakPolarHBondContact O-CG 3.4Å; S96-L100 PolarHBondContact O-N 3.2Å; I97-L100 PolarHBondContact O-N 2.99Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-R102 VanDerWaalsContact O-N 3.12Å; L100-V103 WeakPolarHBondContact O-CB 3.35Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-I106 HydrophobicContact CB-CG2 4.31Å; L100-A111 HydrophobicContact CB-CB 3.9Å; L100-A111 HydrophobicContact CD1-CB 4.44Å; L100-F114 HydrophobicContact CD1-CB 3.9Å; L100-V115 HydrophobicContact CD1-CG2 3.79Å; L100-I119 WeakPolarHBondContact CD1-O 3.41Å; L100-L125 HydrophobicContact CD2-CD1 3.64Å; L100-L125 HydrophobicContact CD2-CD2 4.25Å; L100-L125 HydrophobicContact CD2-CG 3.96Å
101T97.9Very high96.8Very high27 Ų2738.6 Ų38.617%0.16623%0.233CC..THydrogen-bonded Turntrans-66.3-9.8177.457.90000114.8N28 I97 N98 F99 V103 I106 A111N28-T101 HydrophobicContact CB-CG2 4.16Å; N28-T101 PolarHBondContact ND2-OG1 3.48Å; N28-T101 VanDerWaalsContact ND2-OG1 3.12Å; I97-T101 HydrophobicContact CG2-CG2 4.43Å; I97-T101 WeakPolarHBondContact O-CG2 3.34Å; I97-T101 PolarHBondContact O-N 3.42Å; I97-T101 PolarHBondContact O-OG1 3.48Å; N98-T101 PolarHBondContact O-OG1 3.16Å; F99-T101 VanDerWaalsContact C-N 3.3Å; F99-T101 PolarHBondContact O-N 3.26Å; T101-V103 VanDerWaalsContact C-N 3.29Å; T101-I106 WeakPolarHBondContact CA-O 3.39Å; T101-A111 HydrophobicContact CG2-CB 3.63Å
102R98Very high96.9Very high127 Ų12739.1 Ų39.148%0.47923%0.23SC..THydrogen-bonded Turntrans-74.3-21.3171.7-65.9160.960-172.6-2.8112.1F99 L100 S104 F143 E147F99-R102 VanDerWaalsContact O-CB 3.29Å; F99-R102 WeakPolarHBondContact O-CB 3.16Å; F99-R102 PolarHBondContact O-N 3.42Å; F99-R102 VanDerWaalsContact O-N 3.09Å; L100-R102 PolarHBondContact O-N 3.44Å; L100-R102 VanDerWaalsContact O-N 3.12Å; R102-S104 PolarHBondContact O-N 2.77Å; R102-F143 HydrophobicContact CB-CE2 3.66Å; R102-F143 HydrophobicContact CB-CZ 4.16Å; R102-E147 IonicContact CZ-OE1 3.79Å; R102-E147 IonicContact CZ-OE2 2.82Å; R102-E147 IonicContact NE-OE1 3.5Å; R102-E147 PolarHBondContact NE-OE1 3.17Å; R102-E147 IonicContact NH2-OE1 2.9Å; R102-E147 PolarHBondContact NH2-OE1 3.22Å; R102-E147 IonicContact NH2-OE2 3.3Å; R102-E147 PolarHBondContact NH2-OE2 2.97Å
103V98.4Very high97.1Very high1 Ų139 Ų391%0.00622%0.224CC..SBendtrans-73.9121.6174.3-179.90000109.2L100 T101 G105 I106 L125 L140 F143L100-V103 WeakPolarHBondContact O-CB 3.35Å; L100-V103 PolarHBondContact O-N 3.37Å; T101-V103 VanDerWaalsContact C-N 3.29Å; V103-G105 PolarHBondContact O-N 3.09Å; V103-I106 HydrophobicContact CB-CB 4.35Å; V103-I106 HydrophobicContact CB-CD1 3.77Å; V103-I106 HydrophobicContact CB-CG1 3.98Å; V103-I106 HydrophobicContact CG1-CD1 3.85Å; V103-I106 HydrophobicContact CG1-CG1 3.99Å; V103-I106 HydrophobicContact CG2-CD1 4.31Å; V103-I106 PolarHBondContact O-N 3.09Å; V103-L125 HydrophobicContact CG2-CD1 3.94Å; V103-L140 HydrophobicContact CG1-CB 4.37Å; V103-F143 HydrophobicContact CB-CD2 4.44Å; V103-F143 HydrophobicContact CG2-CD2 3.64Å; V103-F143 HydrophobicContact CG2-CE2 3.87Å
104S97.8Very high97.3Very high33 Ų3336.4 Ų36.423%0.23121%0.207CC..THydrogen-bonded Turntrans-56.1126.4177.6-170.40000110.9R102 H135R102-S104 PolarHBondContact O-N 2.77Å; S104-H135 PolarHBondContact O-CD2 3.11Å; S104-H135 PolarHBondContact OG-NE2 2.64Å
105G96.8Very high97.6Very high30 Ų3037.2 Ų37.231%0.30921%0.211SC..THydrogen-bonded Turntrans95.1-9.9-176.300000114.7V103 H135 Q136V103-G105 PolarHBondContact O-N 3.09Å; G105-H135 PolarHBondContact N-NE2 3.19Å; G105-Q136 VanDerWaalsContact O-CG 3.31Å; G105-Q136 WeakPolarHBondContact O-CG 3.32Å; G105-Q136 PolarHBondContact O-NE2 3.48Å
106I98.4Very high97.7Very high8 Ų840.8 Ų40.84%0.04123%0.227CC..  trans-98.6102.5171.7-55.1-171.3000109.2L100 T101 V103 A110 A111 F114 L125 Q136L100-I106 HydrophobicContact CB-CG2 4.31Å; T101-I106 WeakPolarHBondContact CA-O 3.39Å; V103-I106 HydrophobicContact CB-CB 4.35Å; V103-I106 HydrophobicContact CB-CD1 3.77Å; V103-I106 HydrophobicContact CB-CG1 3.98Å; V103-I106 HydrophobicContact CG1-CD1 3.85Å; V103-I106 HydrophobicContact CG1-CG1 3.99Å; V103-I106 HydrophobicContact CG2-CD1 4.31Å; V103-I106 PolarHBondContact O-N 3.09Å; I106-A110 HydrophobicContact CG2-CB 4.04Å; I106-A111 HydrophobicContact CG2-CB 3.88Å; I106-F114 HydrophobicContact CD1-CD2 4.19Å; I106-F114 HydrophobicContact CD1-CE2 3.86Å; I106-F114 HydrophobicContact CG1-CE2 4.24Å; I106-F114 HydrophobicContact CG2-CD2 4.21Å; I106-F114 HydrophobicContact CG2-CE2 4.27Å; I106-L125 HydrophobicContact CD1-CD1 4.25Å; I106-L125 HydrophobicContact CD1-CD2 4.05Å; I106-Q136 HydrophobicContact CG1-CB 4.35Å; I106-Q136 HydrophobicContact CG1-CG 3.78Å
107G97.4Very high97.7Very high34 Ų3443.5 Ų43.535%0.35124%0.238SC..  trans-86.2176.9171.400000113.3S109 A110 A111G107-S109 VanDerWaalsContact C-N 3.27Å; G107-S109 PolarHBondContact O-N 2.79Å; G107-S109 VanDerWaalsContact O-N 3.17Å; G107-A110 PolarHBondContact O-N 2.73Å; G107-A110 VanDerWaalsContact O-N 3.09Å; G107-A111 PolarHBondContact O-N 3.09Å
108P96.8Very high97.8Very high30 Ų3045.7 Ų45.720%0.19526%0.26CS..Hα-helixtrans-51.4-41.9-178.2-29.736.5000114.3K27 N28 Q31 R112K27-P108 WeakPolarHBondContact O-CG 3.48Å; N28-P108 WeakPolarHBondContact O-CB 3.48Å; Q31-P108 HydrophobicContact CG-CB 3.94Å; P108-R112 PolarHBondContact O-N 3.5Å; P108-R112 VanDerWaalsContact O-N 3.07Å
109S97.7Very high97.9Very high87 Ų8744.1 Ų44.161%0.60825%0.252SS*.Hα-helixtrans-67.4-43.3179.9-170.40000112.7G107 K113G107-S109 VanDerWaalsContact C-N 3.27Å; G107-S109 PolarHBondContact O-N 2.79Å; G107-S109 VanDerWaalsContact O-N 3.17Å; S109-K113 WeakPolarHBondContact O-CB 3.47Å; S109-K113 PolarHBondContact O-N 2.86Å; S109-K113 VanDerWaalsContact O-N 3.11Å
110A98Very high97.9Very high24 Ų2446.7 Ų46.720%0.19826%0.263CS..Hα-helixtrans-69.9-41.4179.400000110.8I106 G107 R112 K113 F114I106-A110 HydrophobicContact CG2-CB 4.04Å; G107-A110 PolarHBondContact O-N 2.73Å; G107-A110 VanDerWaalsContact O-N 3.09Å; A110-R112 PolarHBondContact O-N 2.78Å; A110-K113 PolarHBondContact O-N 2.81Å; A110-F114 HydrophobicContact CB-CE2 4.2Å; A110-F114 WeakPolarHBondContact O-CD2 3.23Å; A110-F114 WeakPolarHBondContact O-CG 3.32Å; A110-F114 PolarHBondContact O-N 3.07Å
111A98.3Very high97.9Very high0 Ų049.5 Ų49.50%028%0.28CS..Hα-helixtrans-58.4-46.4176.200000111.8I97 L100 T101 I106 G107 F114 V115I97-A111 HydrophobicContact CG2-CB 4.08Å; L100-A111 HydrophobicContact CB-CB 3.9Å; L100-A111 HydrophobicContact CD1-CB 4.44Å; T101-A111 HydrophobicContact CG2-CB 3.63Å; I106-A111 HydrophobicContact CG2-CB 3.88Å; G107-A111 PolarHBondContact O-N 3.09Å; A111-F114 PolarHBondContact O-N 2.68Å; A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 3.43Å
112R98Very high97.8Very high79 Ų7950 Ų5030%0.29828%0.281SS..Hα-helixtrans-60.7-48.1175.5-175.4171.8-66.3-78.61.4111.7V29 I97 P108 A110 F114 V115 D116V29-R112 PolarHBondContact O-NH2 2.99Å; I97-R112 HydrophobicContact CD1-CB 4.16Å; I97-R112 HydrophobicContact CD1-CG 4.33Å; P108-R112 PolarHBondContact O-N 3.5Å; P108-R112 VanDerWaalsContact O-N 3.07Å; A110-R112 PolarHBondContact O-N 2.78Å; R112-F114 VanDerWaalsContact C-N 3.31Å; R112-F114 PolarHBondContact O-N 3.09Å; R112-V115 WeakPolarHBondContact O-CB 3.39Å; R112-V115 PolarHBondContact O-N 3.02Å; R112-V115 VanDerWaalsContact O-N 3.11Å; R112-D116 PolarHBondContact O-N 2.6Å
113K98.3Very high97.8Very high118 Ų11849.3 Ų49.351%0.51328%0.284SS..Hα-helixtrans-56.3-43.1176.2-179.6177.4-179-71.50112.5S109 A110 D116 E117S109-K113 WeakPolarHBondContact O-CB 3.47Å; S109-K113 PolarHBondContact O-N 2.86Å; S109-K113 VanDerWaalsContact O-N 3.11Å; A110-K113 PolarHBondContact O-N 2.81Å; K113-D116 PolarHBondContact O-N 2.54Å; K113-E117 WeakPolarHBondContact CE-OE1 3.19Å; K113-E117 IonicContact NZ-OE1 3.21Å; K113-E117 PolarHBondContact NZ-OE1 3.37Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 3.23Å; K113-E117 VanDerWaalsContact O-N 3.08Å
114F98.6Very high97.8Very high8 Ų851 Ų514%0.03529%0.293CS..Hα-helixtrans-64.2-42176.4-73-49.1000112.2L100 I106 A110 A111 R112 D116 E117 G118 I119 K131 L132L100-F114 HydrophobicContact CD1-CB 3.9Å; I106-F114 HydrophobicContact CD1-CD2 4.19Å; I106-F114 HydrophobicContact CD1-CE2 3.86Å; I106-F114 HydrophobicContact CG1-CE2 4.24Å; I106-F114 HydrophobicContact CG2-CD2 4.21Å; I106-F114 HydrophobicContact CG2-CE2 4.27Å; A110-F114 HydrophobicContact CB-CE2 4.2Å; A110-F114 WeakPolarHBondContact O-CD2 3.23Å; A110-F114 WeakPolarHBondContact O-CG 3.32Å; A110-F114 PolarHBondContact O-N 3.07Å; A111-F114 PolarHBondContact O-N 2.68Å; R112-F114 VanDerWaalsContact C-N 3.31Å; R112-F114 PolarHBondContact O-N 3.09Å; F114-D116 VanDerWaalsContact C-N 3.32Å; F114-D116 PolarHBondContact O-N 2.92Å; F114-E117 CarbonylContact O-C 3.54Å; F114-E117 WeakPolarHBondContact O-CA 3.26Å; F114-E117 PolarHBondContact O-N 2.96Å; F114-E117 VanDerWaalsContact O-N 3.12Å; F114-G118 PolarHBondContact O-N 3.26Å; F114-I119 CarbonylContact C-O 3.55Å; F114-I119 HydrophobicContact CB-CB 4.07Å; F114-I119 HydrophobicContact CB-CG2 4.28Å; F114-I119 WeakPolarHBondContact CB-O 3.44Å; F114-I119 HydrophobicContact CD1-CB 4.43Å; F114-I119 HydrophobicContact CD1-CD1 4.08Å; F114-I119 HydrophobicContact CD1-CG2 4.4Å; F114-I119 WeakPolarHBondContact O-CA 3.47Å; F114-I119 WeakPolarHBondContact O-CB 3.48Å; F114-I119 PolarHBondContact O-N 3.42Å; F114-K131 HydrophobicContact CE1-CB 4.47Å; F114-L132 HydrophobicContact CE1-CD2 3.94Å; F114-L132 HydrophobicContact CE2-CD2 4.04Å; F114-L132 HydrophobicContact CZ-CD2 3.41Å; F114-L132 VanDerWaalsContact CZ-CD2 3.41Å
115V98.1Very high97.8Very high23 Ų2349.5 Ų49.514%0.13928%0.282CS..Hα-helixtrans-61.3-41.9175.1172.90000111.5T93 I97 L100 A111 R112 E117 G118 I119 K120T93-V115 HydrophobicContact CG2-CG1 4.35Å; I97-V115 HydrophobicContact CG1-CG2 4.01Å; L100-V115 HydrophobicContact CD1-CG2 3.79Å; A111-V115 WeakPolarHBondContact O-CG2 3.38Å; A111-V115 PolarHBondContact O-N 3.43Å; R112-V115 WeakPolarHBondContact O-CB 3.39Å; R112-V115 PolarHBondContact O-N 3.02Å; R112-V115 VanDerWaalsContact O-N 3.11Å; V115-E117 PolarHBondContact O-N 3.49Å; V115-G118 PolarHBondContact O-N 3.01Å; V115-I119 PolarHBondContact N-O 3.19Å; V115-K120 HydrophobicContact CG2-CB 4.4Å
116D97.7Very high97.9Very high123 Ų12355.5 Ų55.566%0.65830%0.296SS*.Hα-helixtrans-63-30.5176.4-59.9-27.2000111.9R112 K113 F114 G118R112-D116 PolarHBondContact O-N 2.6Å; K113-D116 PolarHBondContact O-N 2.54Å; F114-D116 VanDerWaalsContact C-N 3.32Å; F114-D116 PolarHBondContact O-N 2.92Å; D116-G118 VanDerWaalsContact C-N 3.29Å
117E97.8Very high97.9Very high73 Ų7361.5 Ų61.534%0.34132%0.321SS..THydrogen-bonded Turntrans-83.83.5172.8-69.1178.9-144.200114K113 F114 V115 I119 K131K113-E117 WeakPolarHBondContact CE-OE1 3.19Å; K113-E117 IonicContact NZ-OE1 3.21Å; K113-E117 PolarHBondContact NZ-OE1 3.37Å; K113-E117 WeakPolarHBondContact O-CG 3.35Å; K113-E117 PolarHBondContact O-N 3.23Å; K113-E117 VanDerWaalsContact O-N 3.08Å; F114-E117 CarbonylContact O-C 3.54Å; F114-E117 WeakPolarHBondContact O-CA 3.26Å; F114-E117 PolarHBondContact O-N 2.96Å; F114-E117 VanDerWaalsContact O-N 3.12Å; V115-E117 PolarHBondContact O-N 3.49Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 HydrophobicContact CB-CD1 4.47Å; E117-I119 PolarHBondContact O-N 2.96Å; E117-K131 WeakPolarHBondContact OE2-CD 3.37Å; E117-K131 IonicContact OE2-NZ 2.74Å; E117-K131 PolarHBondContact OE2-NZ 3.32Å
118G97.9Very high97.9Very high46 Ų4661.9 Ų61.947%0.47432%0.315SS..THydrogen-bonded Turntrans79.85.7-178.600000115.3F114 V115 D116 K120F114-G118 PolarHBondContact O-N 3.26Å; V115-G118 PolarHBondContact O-N 3.01Å; D116-G118 VanDerWaalsContact C-N 3.29Å; G118-K120 PolarHBondContact O-N 3.11Å
119I98.4Very high97.9Very high5 Ų564.7 Ų64.73%0.02633%0.326CS..  trans-91.399.9178.4-59.8169.8000108.4L100 F114 V115 E117 D124 L125 N128 K131L100-I119 WeakPolarHBondContact CD1-O 3.41Å; F114-I119 CarbonylContact C-O 3.55Å; F114-I119 HydrophobicContact CB-CB 4.07Å; F114-I119 HydrophobicContact CB-CG2 4.28Å; F114-I119 WeakPolarHBondContact CB-O 3.44Å; F114-I119 HydrophobicContact CD1-CB 4.43Å; F114-I119 HydrophobicContact CD1-CD1 4.08Å; F114-I119 HydrophobicContact CD1-CG2 4.4Å; F114-I119 WeakPolarHBondContact O-CA 3.47Å; F114-I119 WeakPolarHBondContact O-CB 3.48Å; F114-I119 PolarHBondContact O-N 3.42Å; V115-I119 PolarHBondContact N-O 3.19Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 HydrophobicContact CB-CD1 4.47Å; E117-I119 PolarHBondContact O-N 2.96Å; I119-D124 HydrophobicContact CB-CB 4.21Å; I119-D124 HydrophobicContact CG2-CB 3.73Å; I119-L125 HydrophobicContact CG2-CD2 3.78Å; I119-L125 HydrophobicContact CG2-CG 4.12Å; I119-N128 HydrophobicContact CD1-CB 3.8Å; I119-K131 HydrophobicContact CD1-CD 3.78Å
120K97.3Very high97.9Very high104 Ų10466.2 Ų66.245%0.45233%0.327SS..  trans-132-7.3-171.258.5-178.1175.7-179.60115.3V115 G118 D124V115-K120 HydrophobicContact CG2-CB 4.4Å; G118-K120 PolarHBondContact O-N 3.11Å; K120-D124 PolarHBondContact N-OD2 3.41Å
121T97.6Very high97.9Very high59 Ų5969.4 Ų69.436%0.36234%0.337SS..SBendtrans-119168.2178.972.30000112.2E123 D124 L125T121-E123 PolarHBondContact O-N 3.09Å; T121-E123 PolarHBondContact OG1-N 2.82Å; T121-D124 WeakPolarHBondContact CB-OD2 3.19Å; T121-D124 PolarHBondContact N-OD2 2.82Å; T121-D124 PolarHBondContact O-N 3.35Å; T121-D124 PolarHBondContact OG1-N 3.36Å; T121-D124 VanDerWaalsContact OG1-N 3.11Å; T121-D124 PolarHBondContact OG1-OD1 3.29Å; T121-D124 PolarHBondContact OG1-OD2 3.41Å; T121-L125 PolarHBondContact O-N 3.29Å
122L96.6Very high97.9Very high37 Ų3769.7 Ų69.719%0.19434%0.338CS..Hα-helixtrans-63.2-34.7174.2-164.565.2000111.9F99 R126 L140 F143F99-L122 HydrophobicContact CE1-CB 4.27Å; F99-L122 HydrophobicContact CZ-CB 3.95Å; F99-L122 HydrophobicContact CZ-CD1 4.37Å; L122-R126 WeakPolarHBondContact O-CG 3.4Å; L122-R126 PolarHBondContact O-N 2.71Å; L122-R126 VanDerWaalsContact O-N 3.13Å; L122-L140 HydrophobicContact CD1-CD1 3.42Å; L122-L140 VanDerWaalsContact CD1-CD1 3.42Å; L122-L140 HydrophobicContact CG-CD1 4.32Å; L122-F143 HydrophobicContact CD1-CB 4.46Å; L122-F143 HydrophobicContact CD1-CD1 4.06Å; L122-F143 HydrophobicContact CD1-CG 4.16Å; L122-F143 HydrophobicContact CD2-CD1 4.24Å
123E97.9Very high97.9Very high113 Ų11369.8 Ų69.853%0.52835%0.345SS..Hα-helixtrans-68.1-41.7177.6-172.6-179.9166.600111.1T121 L125 R126 K127T121-E123 PolarHBondContact O-N 3.09Å; T121-E123 PolarHBondContact OG1-N 2.82Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.29Å; E123-R126 PolarHBondContact O-N 3.27Å; E123-K127 HydrophobicContact CG-CD 4.35Å; E123-K127 WeakPolarHBondContact O-CG 3.31Å; E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.27Å; E123-K127 IonicContact OE1-NZ 3.25Å; E123-K127 PolarHBondContact OE1-NZ 3.03Å
124D98.4Very high97.9Very high38 Ų3869.3 Ų69.320%0.20334%0.344CS..Hα-helixtrans-60.3-44176-55.2-35.8000111I119 K120 T121 R126 K127 N128I119-D124 HydrophobicContact CB-CB 4.21Å; I119-D124 HydrophobicContact CG2-CB 3.73Å; K120-D124 PolarHBondContact N-OD2 3.41Å; T121-D124 WeakPolarHBondContact CB-OD2 3.19Å; T121-D124 PolarHBondContact N-OD2 2.82Å; T121-D124 PolarHBondContact O-N 3.35Å; T121-D124 PolarHBondContact OG1-N 3.36Å; T121-D124 VanDerWaalsContact OG1-N 3.11Å; T121-D124 PolarHBondContact OG1-OD1 3.29Å; T121-D124 PolarHBondContact OG1-OD2 3.41Å; D124-R126 VanDerWaalsContact C-N 3.35Å; D124-R126 PolarHBondContact O-N 2.96Å; D124-K127 PolarHBondContact O-N 3.43Å; D124-N128 WeakPolarHBondContact O-CB 3.23Å; D124-N128 PolarHBondContact O-N 3.25Å; D124-N128 VanDerWaalsContact O-N 3.13Å; D124-N128 PolarHBondContact O-ND2 3.44Å
125L98.4Very high97.9Very high1 Ų171 Ų711%0.00535%0.352CS..Hα-helixtrans-59.6-43.9176.3-73.4174.2000111.9L100 V103 I106 I119 T121 E123 K127 N128 E129 L132 L140L100-L125 HydrophobicContact CD2-CD1 3.64Å; L100-L125 HydrophobicContact CD2-CD2 4.25Å; L100-L125 HydrophobicContact CD2-CG 3.96Å; V103-L125 HydrophobicContact CG2-CD1 3.94Å; I106-L125 HydrophobicContact CD1-CD1 4.25Å; I106-L125 HydrophobicContact CD1-CD2 4.05Å; I119-L125 HydrophobicContact CG2-CD2 3.78Å; I119-L125 HydrophobicContact CG2-CG 4.12Å; T121-L125 PolarHBondContact O-N 3.29Å; E123-L125 VanDerWaalsContact C-N 3.32Å; E123-L125 PolarHBondContact O-N 3.29Å; L125-K127 VanDerWaalsContact C-N 3.29Å; L125-K127 PolarHBondContact O-N 3Å; L125-N128 CarbonylContact O-C 3.44Å; L125-N128 PolarHBondContact O-N 3.46Å; L125-N128 VanDerWaalsContact O-N 3.17Å; L125-E129 PolarHBondContact O-N 3.29Å; L125-L132 HydrophobicContact CD2-CD2 3.91Å; L125-L140 HydrophobicContact CB-CD1 3.86Å; L125-L140 HydrophobicContact CB-CD2 3.92Å; L125-L140 HydrophobicContact CD1-CD1 4.1Å
126R97.6Very high97.9Very high155 Ų15570.7 Ų70.759%0.58535%0.349SS*.Hα-helixtrans-64.8-31.7178-72.9169.1175.1170.8-2.6113L122 E123 D124 N128 L140L122-R126 WeakPolarHBondContact O-CG 3.4Å; L122-R126 PolarHBondContact O-N 2.71Å; L122-R126 VanDerWaalsContact O-N 3.13Å; E123-R126 PolarHBondContact O-N 3.27Å; D124-R126 VanDerWaalsContact C-N 3.35Å; D124-R126 PolarHBondContact O-N 2.96Å; R126-N128 VanDerWaalsContact C-N 3.33Å; R126-L140 HydrophobicContact CG-CD1 4.32Å; R126-L140 HydrophobicContact CG-CD2 4.11Å; R126-L140 HydrophobicContact CG-CG 4.44Å
127K98.3Very high98Very high134 Ų13469.7 Ų69.758%0.58334%0.336SS*.Hα-helixtrans-78.4-17.4175.9-70.5175.3-177.3168.70113.4E123 D124 L125E123-K127 HydrophobicContact CG-CD 4.35Å; E123-K127 WeakPolarHBondContact O-CG 3.31Å; E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.27Å; E123-K127 IonicContact OE1-NZ 3.25Å; E123-K127 PolarHBondContact OE1-NZ 3.03Å; D124-K127 PolarHBondContact O-N 3.43Å; L125-K127 VanDerWaalsContact C-N 3.29Å; L125-K127 PolarHBondContact O-N 3Å
128N98.2Very high98Very high42 Ų4267 Ų6723%0.22532%0.324CS..THydrogen-bonded Turntrans-12336.9-174.3-66.7-96.7000111.7I119 D124 L125 R126 D130 K131I119-N128 HydrophobicContact CD1-CB 3.8Å; D124-N128 WeakPolarHBondContact O-CB 3.23Å; D124-N128 PolarHBondContact O-N 3.25Å; D124-N128 VanDerWaalsContact O-N 3.13Å; D124-N128 PolarHBondContact O-ND2 3.44Å; L125-N128 CarbonylContact O-C 3.44Å; L125-N128 PolarHBondContact O-N 3.46Å; L125-N128 VanDerWaalsContact O-N 3.17Å; R126-N128 VanDerWaalsContact C-N 3.33Å; N128-D130 VanDerWaalsContact C-OD1 3.29Å; N128-D130 WeakPolarHBondContact CA-OD1 3.34Å; N128-D130 PolarHBondContact O-N 3.4Å; N128-K131 HydrophobicContact CB-CD 4.24Å; N128-K131 HydrophobicContact CB-CG 4.45Å; N128-K131 WeakPolarHBondContact O-CB 3.18Å; N128-K131 PolarHBondContact O-N 2.95Å; N128-K131 VanDerWaalsContact O-N 3.07Å
129E97.1Very high98.1Very high90 Ų9064.8 Ų64.842%0.42130%0.301SS..G310 helixtrans-60.6-26.5-179.1-76.2-168.4-179.600113.1L125 K131 L132 R137 L140L125-E129 PolarHBondContact O-N 3.29Å; E129-K131 PolarHBondContact O-N 3.32Å; E129-L132 WeakPolarHBondContact O-CB 3.44Å; E129-L132 PolarHBondContact O-N 2.92Å; E129-L132 VanDerWaalsContact O-N 3.07Å; E129-R137 PolarHBondContact O-NE 3.42Å; E129-R137 PolarHBondContact O-NH2 3.12Å; E129-L140 HydrophobicContact CG-CD2 4.06Å
130D97.5Very high98.1Very high119 Ų11964.9 Ų64.964%0.63630%0.301SS*.G310 helixtrans-59.6-31.5175.163.1-60.2000112.4N128 L132 R137N128-D130 VanDerWaalsContact C-OD1 3.29Å; N128-D130 WeakPolarHBondContact CA-OD1 3.34Å; N128-D130 PolarHBondContact O-N 3.4Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-R137 PolarHBondContact O-NH2 3.09Å
131K98.1Very high98.1Very high91 Ų9165.8 Ų65.840%0.39631%0.306SS..G310 helixtrans-80.6-10.3176.7-61.1-173.1177.4-174.20114.3F114 E117 I119 N128 E129F114-K131 HydrophobicContact CE1-CB 4.47Å; E117-K131 WeakPolarHBondContact OE2-CD 3.37Å; E117-K131 IonicContact OE2-NZ 2.74Å; E117-K131 PolarHBondContact OE2-NZ 3.32Å; I119-K131 HydrophobicContact CD1-CD 3.78Å; N128-K131 HydrophobicContact CB-CD 4.24Å; N128-K131 HydrophobicContact CB-CG 4.45Å; N128-K131 WeakPolarHBondContact O-CB 3.18Å; N128-K131 PolarHBondContact O-N 2.95Å; N128-K131 VanDerWaalsContact O-N 3.07Å; E129-K131 PolarHBondContact O-N 3.32Å
132L98.4Very high98.2Very high5 Ų563.9 Ų63.93%0.02629%0.292CS..SBendtrans-89137.3-179.6-56.1-174.4000110.4F114 L125 E129 D130 Q136 R137 L140F114-L132 HydrophobicContact CE1-CD2 3.94Å; F114-L132 HydrophobicContact CE2-CD2 4.04Å; F114-L132 HydrophobicContact CZ-CD2 3.41Å; F114-L132 VanDerWaalsContact CZ-CD2 3.41Å; L125-L132 HydrophobicContact CD2-CD2 3.91Å; E129-L132 WeakPolarHBondContact O-CB 3.44Å; E129-L132 PolarHBondContact O-N 2.92Å; E129-L132 VanDerWaalsContact O-N 3.07Å; D130-L132 VanDerWaalsContact C-N 3.32Å; L132-Q136 HydrophobicContact CB-CB 3.91Å; L132-Q136 HydrophobicContact CD2-CB 4.34Å; L132-R137 HydrophobicContact CB-CG 3.65Å; L132-R137 HydrophobicContact CD1-CG 4.45Å; L132-R137 PolarHBondContact O-NE 3.49Å; L132-R137 VanDerWaalsContact O-NE 3.14Å; L132-R137 PolarHBondContact O-NH2 3.47Å; L132-L140 HydrophobicContact CD1-CB 4.36Å; L132-L140 HydrophobicContact CD1-CD2 3.7Å
133N98.4Very high98.2Very high81 Ų8163.2 Ų63.243%0.43329%0.287SS..  trans-71.9169.7167.472.542.5000111H135 Q136 R137N133-H135 PolarHBondContact O-N 3.07Å; N133-H135 PolarHBondContact OD1-N 3.12Å; N133-H135 VanDerWaalsContact OD1-N 3.12Å; N133-Q136 VanDerWaalsContact N-OE1 3.08Å; N133-Q136 VanDerWaalsContact ND2-CD 3.32Å; N133-Q136 PolarHBondContact ND2-NE2 3.48Å; N133-Q136 PolarHBondContact ND2-OE1 3.02Å; N133-Q136 WeakPolarHBondContact O-CB 3.35Å; N133-Q136 PolarHBondContact O-N 2.56Å; N133-Q136 VanDerWaalsContact O-N 3.11Å; N133-Q136 WeakPolarHBondContact OD1-CG 3.46Å; N133-Q136 PolarHBondContact OD1-N 2.96Å; N133-R137 PolarHBondContact O-N 2.82Å
134H98.3Very high98.2Very high108 Ų10860 Ų6050%0.528%0.284SS..Hα-helixtrans-53-48.5-176.7-178.466.9000113.8Q136 R137 I138 T227H134-Q136 VanDerWaalsContact C-N 3.35Å; H134-Q136 PolarHBondContact O-N 2.89Å; H134-R137 PolarHBondContact O-N 3.05Å; H134-I138 WeakPolarHBondContact O-CG1 3.32Å; H134-I138 PolarHBondContact O-N 2.87Å; H134-T227 PolarHBondContact CD2-O 3.08Å; H134-T227 PolarHBondContact NE2-O 3.2Å
135H98.6Very high98.2Very high44 Ų4459.8 Ų59.820%0.20428%0.283CS..Hα-helixtrans-59-48.1178-174.1161.8000110.4S104 G105 N133 R137 I138 G139S104-H135 PolarHBondContact O-CD2 3.11Å; S104-H135 PolarHBondContact OG-NE2 2.64Å; G105-H135 PolarHBondContact N-NE2 3.19Å; N133-H135 PolarHBondContact O-N 3.07Å; N133-H135 PolarHBondContact OD1-N 3.12Å; N133-H135 VanDerWaalsContact OD1-N 3.12Å; H135-R137 VanDerWaalsContact C-N 3.35Å; H135-R137 PolarHBondContact O-N 3.06Å; H135-I138 PolarHBondContact O-N 3.13Å; H135-G139 PolarHBondContact O-N 3.29Å
136Q98.6Very high98.2Very high16 Ų1661.8 Ų61.88%0.07529%0.292CS..Hα-helixtrans-62.2-38.7-179-68.2167.5-12.800112.7G105 I106 L132 N133 H134 G139 L140G105-Q136 VanDerWaalsContact O-CG 3.31Å; G105-Q136 WeakPolarHBondContact O-CG 3.32Å; G105-Q136 PolarHBondContact O-NE2 3.48Å; I106-Q136 HydrophobicContact CG1-CB 4.35Å; I106-Q136 HydrophobicContact CG1-CG 3.78Å; L132-Q136 HydrophobicContact CB-CB 3.91Å; L132-Q136 HydrophobicContact CD2-CB 4.34Å; N133-Q136 VanDerWaalsContact N-OE1 3.08Å; N133-Q136 VanDerWaalsContact ND2-CD 3.32Å; N133-Q136 PolarHBondContact ND2-NE2 3.48Å; N133-Q136 PolarHBondContact ND2-OE1 3.02Å; N133-Q136 WeakPolarHBondContact O-CB 3.35Å; N133-Q136 PolarHBondContact O-N 2.56Å; N133-Q136 VanDerWaalsContact O-N 3.11Å; N133-Q136 WeakPolarHBondContact OD1-CG 3.46Å; N133-Q136 PolarHBondContact OD1-N 2.96Å; H134-Q136 VanDerWaalsContact C-N 3.35Å; H134-Q136 PolarHBondContact O-N 2.89Å; Q136-G139 PolarHBondContact O-N 3.31Å; Q136-L140 WeakPolarHBondContact O-CB 3.12Å; Q136-L140 PolarHBondContact O-N 3.05Å
137R98.7Very high98.2Very high103 Ų10358.9 Ų58.939%0.38929%0.285SS..Hα-helixtrans-61.2-46.5175-70.8-176.4-171.2156.45.6111.8E129 D130 L132 N133 H134 H135 L140 K141E129-R137 PolarHBondContact O-NE 3.42Å; E129-R137 PolarHBondContact O-NH2 3.12Å; D130-R137 PolarHBondContact O-NH2 3.09Å; L132-R137 HydrophobicContact CB-CG 3.65Å; L132-R137 HydrophobicContact CD1-CG 4.45Å; L132-R137 PolarHBondContact O-NE 3.49Å; L132-R137 VanDerWaalsContact O-NE 3.14Å; L132-R137 PolarHBondContact O-NH2 3.47Å; N133-R137 PolarHBondContact O-N 2.82Å; H134-R137 PolarHBondContact O-N 3.05Å; H135-R137 VanDerWaalsContact C-N 3.35Å; H135-R137 PolarHBondContact O-N 3.06Å; R137-L140 PolarHBondContact O-N 3.38Å; R137-K141 WeakPolarHBondContact O-CB 3.28Å; R137-K141 PolarHBondContact O-N 3.33Å
138I98.5Very high98.2Very high16 Ų1657.1 Ų57.18%0.08228%0.277CS..Hα-helixtrans-67.2-38.7176.7-57-56.7000111.2H134 H135 L140 K141 Y142 D226 L228 V238H134-I138 WeakPolarHBondContact O-CG1 3.32Å; H134-I138 PolarHBondContact O-N 2.87Å; H135-I138 PolarHBondContact O-N 3.13Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.27Å; I138-K141 HydrophobicContact CD1-CD 4.43Å; I138-K141 WeakPolarHBondContact O-CB 3.27Å; I138-K141 PolarHBondContact O-N 2.93Å; I138-Y142 HydrophobicContact CG2-CD2 3.66Å; I138-Y142 HydrophobicContact CG2-CE2 3.76Å; I138-Y142 WeakPolarHBondContact O-CD2 3.37Å; I138-Y142 PolarHBondContact O-N 3.48Å; I138-Y142 VanDerWaalsContact O-N 3.11Å; I138-D226 HydrophobicContact CD1-CB 4.3Å; I138-D226 HydrophobicContact CG2-CB 4.05Å; I138-L228 HydrophobicContact CB-CD2 3.51Å; I138-L228 HydrophobicContact CG1-CD2 4.2Å; I138-L228 HydrophobicContact CG2-CD2 3.41Å; I138-L228 VanDerWaalsContact CG2-CD2 3.41Å; I138-V238 HydrophobicContact CG2-CG2 3.81Å
139G98.4Very high98.2Very high0 Ų061.8 Ų61.80%029%0.292CS..Hα-helixtrans-60.1-37.5173.600000113H135 Q136 F143H135-G139 PolarHBondContact O-N 3.29Å; Q136-G139 PolarHBondContact O-N 3.31Å; G139-F143 WeakPolarHBondContact O-CA 3.32Å; G139-F143 PolarHBondContact O-N 3.5Å
140L98.5Very high98.3Very high6 Ų657.5 Ų57.53%0.03127%0.272CS..Hα-helixtrans-70.6-47174.5177.563.9000111.4V103 L122 L125 R126 E129 L132 Q136 R137 I138 Y142 F143V103-L140 HydrophobicContact CG1-CB 4.37Å; L122-L140 HydrophobicContact CD1-CD1 3.42Å; L122-L140 VanDerWaalsContact CD1-CD1 3.42Å; L122-L140 HydrophobicContact CG-CD1 4.32Å; L125-L140 HydrophobicContact CB-CD1 3.86Å; L125-L140 HydrophobicContact CB-CD2 3.92Å; L125-L140 HydrophobicContact CD1-CD1 4.1Å; R126-L140 HydrophobicContact CG-CD1 4.32Å; R126-L140 HydrophobicContact CG-CD2 4.11Å; R126-L140 HydrophobicContact CG-CG 4.44Å; E129-L140 HydrophobicContact CG-CD2 4.06Å; L132-L140 HydrophobicContact CD1-CB 4.36Å; L132-L140 HydrophobicContact CD1-CD2 3.7Å; Q136-L140 WeakPolarHBondContact O-CB 3.12Å; Q136-L140 PolarHBondContact O-N 3.05Å; R137-L140 PolarHBondContact O-N 3.38Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 3.27Å; L140-Y142 PolarHBondContact O-N 2.92Å; L140-F143 WeakPolarHBondContact O-CB 3.29Å; L140-F143 PolarHBondContact O-N 2.8Å
141K98.6Very high98.3Very high124 Ų12454.5 Ų54.554%0.53926%0.258SS..Hα-helixtrans-51.8-44.3179-177.6-176.5176.6-169.50111.7R137 I138 D226R137-K141 WeakPolarHBondContact O-CB 3.28Å; R137-K141 PolarHBondContact O-N 3.33Å; I138-K141 HydrophobicContact CD1-CD 4.43Å; I138-K141 WeakPolarHBondContact O-CB 3.27Å; I138-K141 PolarHBondContact O-N 2.93Å; K141-D226 IonicContact NZ-OD1 2.62Å; K141-D226 PolarHBondContact NZ-OD1 2.86Å; K141-D226 VanDerWaalsContact NZ-OD1 3.08Å
142Y98.6Very high98.3Very high19 Ų1953.3 Ų53.38%0.07525%0.251CS..THydrogen-bonded Turntrans-107.520.8-176.7-56.9-59.1000114.2I138 L140 G144 D145 F146 D226 V238 H252I138-Y142 HydrophobicContact CG2-CD2 3.66Å; I138-Y142 HydrophobicContact CG2-CE2 3.76Å; I138-Y142 WeakPolarHBondContact O-CD2 3.37Å; I138-Y142 PolarHBondContact O-N 3.48Å; I138-Y142 VanDerWaalsContact O-N 3.11Å; L140-Y142 PolarHBondContact O-N 2.92Å; Y142-G144 VanDerWaalsContact C-N 3.31Å; Y142-G144 PolarHBondContact O-N 2.7Å; Y142-D145 PolarHBondContact O-N 2.93Å; Y142-F146 HydrophobicContact CD2-CE1 4.13Å; Y142-F146 AromaticContact CD2-CZ 3.79Å; Y142-F146 HydrophobicContact CD2-CZ 3.79Å; Y142-F146 HydrophobicContact CG-CE1 4.09Å; Y142-F146 HydrophobicContact CG-CZ 4.11Å; Y142-F146 PolarHBondContact O-N 2.77Å; Y142-D226 HydrophobicContact CE2-CB 4.35Å; Y142-D226 VanDerWaalsContact CE2-OD2 3.23Å; Y142-D226 WeakPolarHBondContact CE2-OD2 3.38Å; Y142-D226 VanDerWaalsContact CZ-OD2 3.28Å; Y142-D226 PolarHBondContact OH-OD1 3.39Å; Y142-D226 PolarHBondContact OH-OD2 2.88Å; Y142-V238 HydrophobicContact CD2-CG1 4.1Å; Y142-V238 HydrophobicContact CD2-CG2 4.13Å; Y142-V238 HydrophobicContact CE2-CB 4.37Å; Y142-V238 HydrophobicContact CE2-CG1 3.92Å; Y142-V238 HydrophobicContact CE2-CG2 4.12Å; Y142-H252 HydrophobicContact CD1-CB 3.64Å; Y142-H252 AromaticContact CD1-CG 3.74Å; Y142-H252 HydrophobicContact CE1-CB 3.8Å; Y142-H252 AromaticContact CE1-CD2 3.42Å; Y142-H252 VanDerWaalsContact CE1-CD2 3.42Å; Y142-H252 WeakPolarHBondContact CE1-CD2 3.45Å; Y142-H252 AromaticContact CE1-CE1 3.97Å; Y142-H252 AromaticContact CE1-CG 3.37Å; Y142-H252 AromaticContact CE1-ND1 3.72Å; Y142-H252 AromaticContact CE1-NE2 3.8Å; Y142-H252 HydrophobicContact CG-CB 4.06Å; Y142-H252 AromaticContact CZ-CD2 3.4Å; Y142-H252 VanDerWaalsContact CZ-CD2 3.4Å; Y142-H252 AromaticContact CZ-CG 3.84Å; Y142-H252 AromaticContact CZ-NE2 3.85Å; Y142-H252 PolarHBondContact OH-CD2 2.93Å; Y142-H252 PolarHBondContact OH-NE2 3.32Å
143F98.3Very high98.4Very high23 Ų2359.8 Ų59.810%0.10128%0.282CS..Hα-helixtrans-48.6-50.4-175.5177.6-104.4000113.1F99 R102 V103 L122 G139 L140 D145F99-F143 HydrophobicContact CE2-CE1 4.27Å; F99-F143 AromaticContact CE2-CZ 3.88Å; F99-F143 HydrophobicContact CE2-CZ 3.88Å; F99-F143 HydrophobicContact CZ-CE1 4.41Å; F99-F143 HydrophobicContact CZ-CZ 4.17Å; R102-F143 HydrophobicContact CB-CE2 3.66Å; R102-F143 HydrophobicContact CB-CZ 4.16Å; V103-F143 HydrophobicContact CB-CD2 4.44Å; V103-F143 HydrophobicContact CG2-CD2 3.64Å; V103-F143 HydrophobicContact CG2-CE2 3.87Å; L122-F143 HydrophobicContact CD1-CB 4.46Å; L122-F143 HydrophobicContact CD1-CD1 4.06Å; L122-F143 HydrophobicContact CD1-CG 4.16Å; L122-F143 HydrophobicContact CD2-CD1 4.24Å; G139-F143 WeakPolarHBondContact O-CA 3.32Å; G139-F143 PolarHBondContact O-N 3.5Å; L140-F143 WeakPolarHBondContact O-CB 3.29Å; L140-F143 PolarHBondContact O-N 2.8Å; F143-D145 VanDerWaalsContact C-N 3.34Å; F143-D145 PolarHBondContact O-N 3.16Å
144G97.8Very high98.4Very high44 Ų4457.4 Ų57.445%0.45427%0.268SS..Hα-helixtrans-72-25-179.600000114.4Y142 K148Y142-G144 VanDerWaalsContact C-N 3.31Å; Y142-G144 PolarHBondContact O-N 2.7Å; G144-K148 WeakPolarHBondContact O-CE 3.3Å
145D98.5Very high98.4Very high35 Ų3552.3 Ų52.319%0.18724%0.244CC..Hα-helixtrans-82.1-38179.6-81.9-0.5000111.8Y142 F143 E147 K148 P251 H252Y142-D145 PolarHBondContact O-N 2.93Å; F143-D145 VanDerWaalsContact C-N 3.34Å; F143-D145 PolarHBondContact O-N 3.16Å; D145-E147 PolarHBondContact O-N 2.94Å; D145-K148 WeakPolarHBondContact O-CB 3.34Å; D145-K148 PolarHBondContact O-N 3.43Å; D145-K148 IonicContact OD1-NZ 3.64Å; D145-K148 PolarHBondContact OD1-NZ 3.36Å; D145-P251 HydrophobicContact CB-CB 4.15Å; D145-H252 HydrophobicContact CB-CB 4.46Å; D145-H252 PolarHBondContact OD2-N 2.91Å
146F98.4Very high98.4Very high42 Ų4254.3 Ų54.318%0.18426%0.256CS..Hα-helixtrans-68.3-18178.2-70.2-4.5000113.9Y142 V238 R254Y142-F146 HydrophobicContact CD2-CE1 4.13Å; Y142-F146 AromaticContact CD2-CZ 3.79Å; Y142-F146 HydrophobicContact CD2-CZ 3.79Å; Y142-F146 HydrophobicContact CG-CE1 4.09Å; Y142-F146 HydrophobicContact CG-CZ 4.11Å; Y142-F146 PolarHBondContact O-N 2.77Å; F146-V238 HydrophobicContact CE1-CG1 4.05Å; F146-V238 HydrophobicContact CE1-CG2 4.19Å; F146-V238 HydrophobicContact CZ-CG1 4.3Å; F146-V238 HydrophobicContact CZ-CG2 3.64Å; F146-R254 HydrophobicContact CD1-CG 3.83Å; F146-R254 HydrophobicContact CD2-CG 4.02Å; F146-R254 HydrophobicContact CE1-CG 3.83Å; F146-R254 HydrophobicContact CE2-CG 4.02Å; F146-R254 HydrophobicContact CG-CG 3.94Å; F146-R254 HydrophobicContact CZ-CG 3.92Å
147E96.8Very high98.4Very high95 Ų9557 Ų5744%0.44427%0.269SS..THydrogen-bonded Turntrans-85.6-12.4172.9-66.9-166.9150.100113.4R102 D145R102-E147 IonicContact CZ-OE1 3.79Å; R102-E147 IonicContact CZ-OE2 2.82Å; R102-E147 IonicContact NE-OE1 3.5Å; R102-E147 PolarHBondContact NE-OE1 3.17Å; R102-E147 IonicContact NH2-OE1 2.9Å; R102-E147 PolarHBondContact NH2-OE1 3.22Å; R102-E147 IonicContact NH2-OE2 3.3Å; R102-E147 PolarHBondContact NH2-OE2 2.97Å; D145-E147 PolarHBondContact O-N 2.94Å
148K98.1Very high98.4Very high97 Ų9752.2 Ų52.242%0.42225%0.251SS..SBendtrans-80.7128.6176.2-64.7169-169.9160.80109.6G144 D145 P251 R253G144-K148 WeakPolarHBondContact O-CE 3.3Å; D145-K148 WeakPolarHBondContact O-CB 3.34Å; D145-K148 PolarHBondContact O-N 3.43Å; D145-K148 IonicContact OD1-NZ 3.64Å; D145-K148 PolarHBondContact OD1-NZ 3.36Å; K148-P251 HydrophobicContact CD-CB 4.02Å; K148-P251 HydrophobicContact CD-CG 3.85Å; K148-R253 PolarHBondContact O-NH1 3.12Å
149R98.2Very high98.4Very high140 Ų14053.9 Ų53.953%0.52826%0.258SS..  trans-64.6158.4169.7-58.9-163.966.675.72.1111.3S187 S188 R253R149-S187 PolarHBondContact NE-OG 3.49Å; R149-S187 PolarHBondContact NH2-O 3.47Å; R149-S188 WeakPolarHBondContact CA-O 3.47Å; R149-R253 PolarHBondContact O-NH1 3.37Å; R149-R253 PolarHBondContact O-NH2 3.02Å
150I98.5Very high98.4Very high0 Ų058.6 Ų58.60%028%0.283CS..EExtended strand (participates in β ladder)trans-105.9114.1177.7-45.2179.3000107.9E154 M155 M158 S187 S188 R253I150-E154 HydrophobicContact CG2-CB 3.76Å; I150-M155 HydrophobicContact CB-CG 4.16Å; I150-M155 HydrophobicContact CB-SD 4.09Å; I150-M155 HydrophobicContact CD1-SD 4.01Å; I150-M155 HydrophobicContact CG2-CG 3.74Å; I150-M155 HydrophobicContact CG2-SD 3.76Å; I150-M158 HydrophobicContact CD1-CE 4.39Å; I150-M158 HydrophobicContact CG2-SD 3.94Å; I150-S187 CarbonylContact O-C 3.45Å; I150-S187 WeakPolarHBondContact O-CA 3.4Å; I150-S187 VanDerWaalsContact O-CB 3.27Å; I150-S187 WeakPolarHBondContact O-CB 3.41Å; I150-S188 PolarHBondContact N-O 2.58Å; I150-S188 PolarHBondContact O-N 3.35Å; I150-R253 HydrophobicContact CD1-CB 3.8Å; I150-R253 HydrophobicContact CD1-CG 3.82Å; I150-R253 HydrophobicContact CG1-CG 4.21Å
151P98.7Very high98.5Very high55 Ų5559.9 Ų59.936%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-54.8146.8172.1-24.834.4000112E153 E154 M155P151-E153 PolarHBondContact O-N 2.88Å; P151-E154 VanDerWaalsContact CD-OE1 3.26Å; P151-E154 WeakPolarHBondContact CD-OE1 3.36Å; P151-E154 HydrophobicContact CG-CG 4.4Å; P151-E154 WeakPolarHBondContact CG-OE1 3.26Å; P151-E154 PolarHBondContact O-N 3.17Å; P151-E154 VanDerWaalsContact O-N 3.08Å; P151-M155 PolarHBondContact O-N 3.38Å
152R98.6Very high98.5Very high66 Ų6654 Ų5425%0.24927%0.265CS..Hα-helixtrans-58.3-31.7177.8-171.5174.1-172.776.18.3112.8M155 L156 F181 A185 E186R152-M155 WeakPolarHBondContact O-CB 2.97Å; R152-M155 PolarHBondContact O-N 3.26Å; R152-L156 WeakPolarHBondContact O-CG 3.46Å; R152-L156 PolarHBondContact O-N 3.11Å; R152-F181 HydrophobicContact CG-CD2 4.47Å; R152-F181 HydrophobicContact CG-CE2 4.26Å; R152-F181 PolarHBondContact NH1-O 3.43Å; R152-F181 PolarHBondContact NH2-O 2.97Å; R152-A185 WeakPolarHBondContact CD-O 3.49Å; R152-A185 PolarHBondContact NH1-O 3.32Å; R152-E186 WeakPolarHBondContact CB-O 3.1Å; R152-E186 PolarHBondContact N-O 3.15Å
153E98.6Very high98.5Very high142 Ų14256 Ų5666%0.66428%0.276SS*.Hα-helixtrans-62.2-46.6174-172.7179.816300112.3P151 M155 L156 Q157P151-E153 PolarHBondContact O-N 2.88Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.41Å; E153-L156 WeakPolarHBondContact O-CB 3.43Å; E153-L156 PolarHBondContact O-N 3.28Å; E153-Q157 PolarHBondContact O-N 2.84Å
154E98.6Very high98.5Very high31 Ų3157.9 Ų57.915%0.14529%0.287CS..Hα-helixtrans-62-42173.3-73.4179.1-135.900110.8I150 P151 L156 Q157 M158 L241 Y250 R253I150-E154 HydrophobicContact CG2-CB 3.76Å; P151-E154 VanDerWaalsContact CD-OE1 3.26Å; P151-E154 WeakPolarHBondContact CD-OE1 3.36Å; P151-E154 HydrophobicContact CG-CG 4.4Å; P151-E154 WeakPolarHBondContact CG-OE1 3.26Å; P151-E154 PolarHBondContact O-N 3.17Å; P151-E154 VanDerWaalsContact O-N 3.08Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.84Å; E154-Q157 WeakPolarHBondContact O-CB 3.32Å; E154-Q157 PolarHBondContact O-N 3.45Å; E154-Q157 VanDerWaalsContact O-N 3.12Å; E154-M158 VanDerWaalsContact O-CG 3.27Å; E154-M158 WeakPolarHBondContact O-CG 3.38Å; E154-M158 PolarHBondContact O-N 3.42Å; E154-L241 HydrophobicContact CB-CD1 3.91Å; E154-L241 HydrophobicContact CG-CD1 4.06Å; E154-Y250 HydrophobicContact CG-CD1 4.35Å; E154-Y250 HydrophobicContact CG-CE1 4.07Å; E154-R253 IonicContact OE1-NH2 2.76Å; E154-R253 IonicContact OE2-CZ 3.07Å; E154-R253 IonicContact OE2-NE 3.77Å; E154-R253 IonicContact OE2-NH2 3.4Å; E154-R253 PolarHBondContact OE2-NH2 3.11Å
155M98.8Very high98.5Very high1 Ų156.7 Ų56.71%0.00527%0.27CS..Hα-helixtrans-59.6-35.9176.5-72.3-65.7-70.800113I150 P151 R152 E153 M158 Q159 V177 F181 M191I150-M155 HydrophobicContact CB-CG 4.16Å; I150-M155 HydrophobicContact CB-SD 4.09Å; I150-M155 HydrophobicContact CD1-SD 4.01Å; I150-M155 HydrophobicContact CG2-CG 3.74Å; I150-M155 HydrophobicContact CG2-SD 3.76Å; P151-M155 PolarHBondContact O-N 3.38Å; R152-M155 WeakPolarHBondContact O-CB 2.97Å; R152-M155 PolarHBondContact O-N 3.26Å; E153-M155 VanDerWaalsContact C-N 3.33Å; E153-M155 PolarHBondContact O-N 3.41Å; M155-M158 PolarHBondContact O-N 3.13Å; M155-M158 HydrophobicContact SD-CE 4.43Å; M155-M158 HydrophobicContact SD-SD 4.1Å; M155-Q159 VanDerWaalsContact O-CB 3.31Å; M155-Q159 WeakPolarHBondContact O-CB 3.42Å; M155-Q159 PolarHBondContact O-N 3.34Å; M155-V177 HydrophobicContact CE-CG1 4.24Å; M155-F181 HydrophobicContact CB-CD2 3.64Å; M155-F181 HydrophobicContact CB-CE2 3.9Å; M155-F181 HydrophobicContact CE-CB 3.78Å; M155-F181 HydrophobicContact CE-CD2 4.25Å; M155-F181 HydrophobicContact CE-CG 4.19Å; M155-F181 HydrophobicContact CG-CD2 4.31Å; M155-M191 HydrophobicContact CE-CB 4.02Å; M155-M191 HydrophobicContact CE-CG 4.06Å; M155-M191 HydrophobicContact SD-CB 4.31Å
156L98.8Very high98.5Very high86 Ų8655.2 Ų55.245%0.4526%0.262SS..Hα-helixtrans-66.8-39.8175.5-72.4165.3000111.6R152 E153 E154 Q159 D160 F181R152-L156 WeakPolarHBondContact O-CG 3.46Å; R152-L156 PolarHBondContact O-N 3.11Å; E153-L156 WeakPolarHBondContact O-CB 3.43Å; E153-L156 PolarHBondContact O-N 3.28Å; E154-L156 VanDerWaalsContact C-N 3.28Å; E154-L156 PolarHBondContact O-N 2.84Å; L156-Q159 WeakPolarHBondContact O-CB 3.23Å; L156-Q159 PolarHBondContact O-N 3.03Å; L156-D160 PolarHBondContact O-N 3.49Å; L156-F181 HydrophobicContact CD2-CE2 4.05Å; L156-F181 HydrophobicContact CD2-CZ 3.83Å; L156-F181 HydrophobicContact CG-CE2 4.24Å; L156-F181 HydrophobicContact CG-CZ 4.5Å
157Q98.8Very high98.5Very high72 Ų7259.8 Ų59.834%0.33628%0.282SS..Hα-helixtrans-65.8-43.6174.9-61.7173.725.600111.2E153 E154 Q159 D160 I161 L241E153-Q157 PolarHBondContact O-N 2.84Å; E154-Q157 WeakPolarHBondContact O-CB 3.32Å; E154-Q157 PolarHBondContact O-N 3.45Å; E154-Q157 VanDerWaalsContact O-N 3.12Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.24Å; Q157-D160 PolarHBondContact O-N 3.13Å; Q157-I161 WeakPolarHBondContact O-CG1 3.5Å; Q157-I161 PolarHBondContact O-N 3.21Å; Q157-I161 VanDerWaalsContact O-N 3.15Å; Q157-L241 HydrophobicContact CB-CD1 4.16Å; Q157-L241 HydrophobicContact CB-CD2 3.83Å
158M98.9Very high98.6Very high2 Ų261.9 Ų61.91%0.0129%0.29CS..Hα-helixtrans-61.9-41.6175.6-65.5166.468.700111.3I150 E154 M155 I161 V162 M191 F223 L241 R253I150-M158 HydrophobicContact CD1-CE 4.39Å; I150-M158 HydrophobicContact CG2-SD 3.94Å; E154-M158 VanDerWaalsContact O-CG 3.27Å; E154-M158 WeakPolarHBondContact O-CG 3.38Å; E154-M158 PolarHBondContact O-N 3.42Å; M155-M158 PolarHBondContact O-N 3.13Å; M155-M158 HydrophobicContact SD-CE 4.43Å; M155-M158 HydrophobicContact SD-SD 4.1Å; M158-I161 PolarHBondContact O-N 3.3Å; M158-V162 WeakPolarHBondContact O-CG2 3.4Å; M158-V162 PolarHBondContact O-N 3.17Å; M158-M191 HydrophobicContact CB-CE 4.19Å; M158-M191 HydrophobicContact CB-SD 3.8Å; M158-M191 HydrophobicContact CE-CB 3.79Å; M158-M191 HydrophobicContact CE-CG 4.39Å; M158-M191 HydrophobicContact CE-SD 3.86Å; M158-F223 HydrophobicContact CB-CE2 4.31Å; M158-F223 HydrophobicContact CB-CZ 4.02Å; M158-F223 HydrophobicContact CE-CZ 4.37Å; M158-F223 HydrophobicContact CG-CE2 4.16Å; M158-F223 HydrophobicContact CG-CZ 4.18Å; M158-L241 HydrophobicContact CB-CD2 4.46Å; M158-L241 HydrophobicContact CG-CD1 4.01Å; M158-L241 HydrophobicContact CG-CD2 3.65Å; M158-L241 HydrophobicContact CG-CG 3.69Å; M158-R253 HydrophobicContact CE-CB 4.1Å; M158-R253 HydrophobicContact CE-CG 4.32Å
159Q98.9Very high98.6Very high52 Ų5259.4 Ų59.424%0.24328%0.283CS..Hα-helixtrans-58.6-47.7174.8176.6179.630.400111.5M155 L156 Q157 I161 V162 L163 V177 F181 M191M155-Q159 VanDerWaalsContact O-CB 3.31Å; M155-Q159 WeakPolarHBondContact O-CB 3.42Å; M155-Q159 PolarHBondContact O-N 3.34Å; L156-Q159 WeakPolarHBondContact O-CB 3.23Å; L156-Q159 PolarHBondContact O-N 3.03Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.24Å; Q159-I161 PolarHBondContact O-N 3Å; Q159-V162 PolarHBondContact O-N 3.42Å; Q159-L163 HydrophobicContact CG-CD1 4Å; Q159-L163 HydrophobicContact CG-CD2 4.22Å; Q159-L163 WeakPolarHBondContact O-CB 3.4Å; Q159-L163 WeakPolarHBondContact O-CD1 3.34Å; Q159-L163 PolarHBondContact O-N 2.8Å; Q159-V177 HydrophobicContact CB-CG2 4Å; Q159-V177 HydrophobicContact CG-CG2 3.74Å; Q159-F181 VanDerWaalsContact OE1-CZ 3.31Å; Q159-M191 HydrophobicContact CB-CE 4.48Å
160D98.8Very high98.6Very high98 Ų9854.9 Ų54.952%0.52427%0.269SS..Hα-helixtrans-59.8-47.1-179.3-175.968.6000111.5L156 Q157 V162 L163 N164L156-D160 PolarHBondContact O-N 3.49Å; Q157-D160 PolarHBondContact O-N 3.13Å; D160-V162 PolarHBondContact O-N 3.42Å; D160-L163 PolarHBondContact O-N 2.9Å; D160-N164 VanDerWaalsContact O-CB 3.28Å; D160-N164 WeakPolarHBondContact O-CB 3.5Å; D160-N164 VanDerWaalsContact O-CG 3.29Å; D160-N164 PolarHBondContact O-N 2.68Å; D160-N164 PolarHBondContact O-ND2 3.37Å; D160-N164 PolarHBondContact OD1-ND2 3.23Å; D160-N164 PolarHBondContact OD2-ND2 3.31Å; D160-N164 VanDerWaalsContact OD2-ND2 3.1Å
161I98.8Very high98.6Very high34 Ų3459.7 Ų59.717%0.17430%0.302CS..Hα-helixtrans-57.5-53.3175.4-64.8169.5000110.3Q157 M158 Q159 L163 N164 E165 F223 L241 P242Q157-I161 WeakPolarHBondContact O-CG1 3.5Å; Q157-I161 PolarHBondContact O-N 3.21Å; Q157-I161 VanDerWaalsContact O-N 3.15Å; M158-I161 PolarHBondContact O-N 3.3Å; Q159-I161 PolarHBondContact O-N 3Å; I161-L163 PolarHBondContact O-N 3.48Å; I161-N164 PolarHBondContact O-N 2.9Å; I161-E165 HydrophobicContact CG2-CG 4.11Å; I161-E165 WeakPolarHBondContact O-CB 3.48Å; I161-E165 VanDerWaalsContact O-CG 3.27Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 3.39Å; I161-F223 HydrophobicContact CB-CD2 4.45Å; I161-F223 HydrophobicContact CD1-CD2 4.03Å; I161-F223 HydrophobicContact CD1-CE2 4.19Å; I161-F223 HydrophobicContact CG2-CB 4.15Å; I161-F223 HydrophobicContact CG2-CD1 4.44Å; I161-F223 HydrophobicContact CG2-CD2 3.88Å; I161-F223 HydrophobicContact CG2-CE2 4.4Å; I161-F223 HydrophobicContact CG2-CG 3.89Å; I161-L241 HydrophobicContact CD1-CD2 3.7Å; I161-P242 HydrophobicContact CD1-CG 4.26Å
162V98.8Very high98.6Very high1 Ų162 Ų621%0.00631%0.309CS..Hα-helixtrans-60.3-47.9-176.2170.30000111.6M158 Q159 D160 N164 V166 M191 V193 L218 F223 I255M158-V162 WeakPolarHBondContact O-CG2 3.4Å; M158-V162 PolarHBondContact O-N 3.17Å; Q159-V162 PolarHBondContact O-N 3.42Å; D160-V162 PolarHBondContact O-N 3.42Å; V162-N164 PolarHBondContact O-N 2.94Å; V162-V166 HydrophobicContact CG1-CG2 4.17Å; V162-V166 VanDerWaalsContact O-CB 3.23Å; V162-V166 WeakPolarHBondContact O-CB 3.34Å; V162-V166 WeakPolarHBondContact O-CG2 3.37Å; V162-V166 PolarHBondContact O-N 3.49Å; V162-M191 HydrophobicContact CB-CE 3.99Å; V162-M191 HydrophobicContact CG2-CE 3.68Å; V162-M191 HydrophobicContact CG2-SD 4.08Å; V162-V193 HydrophobicContact CG1-CG1 4.05Å; V162-V193 HydrophobicContact CG1-CG2 4.28Å; V162-L218 HydrophobicContact CG2-CD2 4.36Å; V162-F223 HydrophobicContact CG2-CD1 4.17Å; V162-F223 HydrophobicContact CG2-CE1 3.47Å; V162-F223 VanDerWaalsContact CG2-CE1 3.47Å; V162-F223 HydrophobicContact CG2-CZ 4.01Å; V162-I255 HydrophobicContact CG2-CD1 4.49Å
163L98.7Very high98.6Very high59 Ų5959.6 Ų59.631%0.30930%0.299SS..Hα-helixtrans-65.2-40.3-178.4-92.359.4000111.9Q159 D160 I161 K167 A175 V177Q159-L163 HydrophobicContact CG-CD1 4Å; Q159-L163 HydrophobicContact CG-CD2 4.22Å; Q159-L163 WeakPolarHBondContact O-CB 3.4Å; Q159-L163 WeakPolarHBondContact O-CD1 3.34Å; Q159-L163 PolarHBondContact O-N 2.8Å; D160-L163 PolarHBondContact O-N 2.9Å; I161-L163 PolarHBondContact O-N 3.48Å; L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.69Å; L163-K167 VanDerWaalsContact O-N 3.12Å; L163-A175 HydrophobicContact CD1-CB 3.94Å; L163-A175 HydrophobicContact CG-CB 4.45Å; L163-V177 HydrophobicContact CD1-CG2 4.42Å
164N98.7Very high98.6Very high63 Ų6356.7 Ų56.734%0.33729%0.288SS..Hα-helixtrans-70.1-42.7179.1-73.3-41.5000112.1D160 I161 V162 K167 K168D160-N164 VanDerWaalsContact O-CB 3.28Å; D160-N164 WeakPolarHBondContact O-CB 3.5Å; D160-N164 VanDerWaalsContact O-CG 3.29Å; D160-N164 PolarHBondContact O-N 2.68Å; D160-N164 PolarHBondContact O-ND2 3.37Å; D160-N164 PolarHBondContact OD1-ND2 3.23Å; D160-N164 PolarHBondContact OD2-ND2 3.31Å; D160-N164 VanDerWaalsContact OD2-ND2 3.1Å; I161-N164 PolarHBondContact O-N 2.9Å; V162-N164 PolarHBondContact O-N 2.94Å; N164-K167 PolarHBondContact O-N 2.93Å; N164-K168 WeakPolarHBondContact O-CG 3.18Å; N164-K168 PolarHBondContact O-N 3.47Å
165E98.8Very high98.6Very high19 Ų1955.9 Ų55.99%0.08929%0.286CS..Hα-helixtrans-69.6-38.6178.4-66.6-52.1135.200112.5I161 K167 K168 V169 Q217 L218 V221I161-E165 HydrophobicContact CG2-CG 4.11Å; I161-E165 WeakPolarHBondContact O-CB 3.48Å; I161-E165 VanDerWaalsContact O-CG 3.27Å; I161-E165 WeakPolarHBondContact O-CG 3.44Å; I161-E165 PolarHBondContact O-N 3.39Å; E165-K167 VanDerWaalsContact C-N 3.33Å; E165-K167 PolarHBondContact O-N 3.39Å; E165-K168 WeakPolarHBondContact O-CB 3.45Å; E165-K168 PolarHBondContact O-N 3.38Å; E165-K168 IonicContact OE1-NZ 2.76Å; E165-K168 PolarHBondContact OE1-NZ 2.94Å; E165-K168 IonicContact OE2-NZ 3.84Å; E165-V169 PolarHBondContact O-N 3.24Å; E165-Q217 HydrophobicContact CB-CG 4.24Å; E165-Q217 PolarHBondContact OE2-NE2 3.25Å; E165-L218 HydrophobicContact CB-CD2 3.69Å; E165-L218 HydrophobicContact CG-CD2 4.14Å; E165-V221 HydrophobicContact CG-CG1 4.49Å; E165-V221 HydrophobicContact CG-CG2 3.99Å; E165-V221 WeakPolarHBondContact OE2-CG1 3.44Å
166V98.4Very high98.7Very high5 Ų557 Ų573%0.0329%0.293CS..Hα-helixtrans-59.8-44.7173.2166.80000110.8V162 K168 V169 D170 Y173 A175 L195 V214V162-V166 HydrophobicContact CG1-CG2 4.17Å; V162-V166 VanDerWaalsContact O-CB 3.23Å; V162-V166 WeakPolarHBondContact O-CB 3.34Å; V162-V166 WeakPolarHBondContact O-CG2 3.37Å; V162-V166 PolarHBondContact O-N 3.49Å; V166-K168 VanDerWaalsContact C-N 3.26Å; V166-K168 PolarHBondContact O-N 3.2Å; V166-V169 WeakPolarHBondContact O-CB 3.34Å; V166-V169 PolarHBondContact O-N 3.21Å; V166-V169 VanDerWaalsContact O-N 3.09Å; V166-D170 PolarHBondContact O-N 2.95Å; V166-Y173 HydrophobicContact CG1-CD2 4.21Å; V166-Y173 HydrophobicContact CG1-CG 3.79Å; V166-A175 HydrophobicContact CG1-CB 4.27Å; V166-A175 HydrophobicContact CG2-CB 4.31Å; V166-L195 HydrophobicContact CG1-CD1 3.91Å; V166-L195 HydrophobicContact CG2-CD1 4.42Å; V166-V214 HydrophobicContact CG2-CG1 3.68Å; V166-V214 HydrophobicContact CG2-CG2 4.45Å
167K98.1Very high98.7Very high137 Ų13753.2 Ų53.260%0.59627%0.273SS*.Hα-helixtrans-62.6-30.5177.8-175.8-179.5-70.7176.30113.1L163 N164 E165 V169 D170L163-K167 WeakPolarHBondContact O-CB 3.45Å; L163-K167 PolarHBondContact O-N 2.69Å; L163-K167 VanDerWaalsContact O-N 3.12Å; N164-K167 PolarHBondContact O-N 2.93Å; E165-K167 VanDerWaalsContact C-N 3.33Å; E165-K167 PolarHBondContact O-N 3.39Å; K167-V169 VanDerWaalsContact C-N 3.32Å; K167-D170 CarbonylContact O-C 3.02Å
168K98.4Very high98.7Very high140 Ų14049.8 Ų49.861%0.60926%0.258SS*.Hα-helixtrans-71.7-25.5175.5-69.7169.7-170.3173.30113N164 E165 V166N164-K168 WeakPolarHBondContact O-CG 3.18Å; N164-K168 PolarHBondContact O-N 3.47Å; E165-K168 WeakPolarHBondContact O-CB 3.45Å; E165-K168 PolarHBondContact O-N 3.38Å; E165-K168 IonicContact OE1-NZ 2.76Å; E165-K168 PolarHBondContact OE1-NZ 2.94Å; E165-K168 IonicContact OE2-NZ 3.84Å; V166-K168 VanDerWaalsContact C-N 3.26Å; V166-K168 PolarHBondContact O-N 3.2Å
169V98.4Very high98.6Very high45 Ų4549.9 Ų49.927%0.27326%0.259SS..Hα-helixtrans-73.9-52.4174.5-179.10000109.9E165 V166 K167 Y173 Q213 Q217E165-V169 PolarHBondContact O-N 3.24Å; V166-V169 WeakPolarHBondContact O-CB 3.34Å; V166-V169 PolarHBondContact O-N 3.21Å; V166-V169 VanDerWaalsContact O-N 3.09Å; K167-V169 VanDerWaalsContact C-N 3.32Å; V169-Y173 HydrophobicContact CB-CE2 4.35Å; V169-Y173 HydrophobicContact CG1-CE2 3.93Å; V169-Q213 HydrophobicContact CG1-CB 3.85Å; V169-Q217 HydrophobicContact CG2-CB 3.44Å; V169-Q217 VanDerWaalsContact CG2-CB 3.44Å; V169-Q217 HydrophobicContact CG2-CG 3.63Å
170D98.4Very high98.6Very high45 Ų4548 Ų4824%0.24125%0.251CS..  trans-155.9134.2173.2-161.7-43.4000109.2V166 K167 E172 Y173 H197V166-D170 PolarHBondContact O-N 2.95Å; K167-D170 CarbonylContact O-C 3.02Å; D170-E172 PolarHBondContact O-N 3.46Å; D170-E172 WeakPolarHBondContact OD1-CB 3.42Å; D170-E172 PolarHBondContact OD1-N 3.44Å; D170-Y173 HydrophobicContact CB-CD2 3.53Å; D170-Y173 HydrophobicContact CB-CE2 3.66Å; D170-Y173 PolarHBondContact O-N 3.19Å; D170-H197 IonicContact OD2-NE2 3.49Å; D170-H197 PolarHBondContact OD2-NE2 3.45Å
171S98.2Very high98.6Very high100 Ų10044 Ų4470%0.69923%0.23SC*.THydrogen-bonded Turntrans-68-17176.757.30000113.9Y173S171-Y173 VanDerWaalsContact C-N 3.34Å
172E98.6Very high98.6Very high105 Ų10545.7 Ų45.749%0.49123%0.234SC..THydrogen-bonded Turntrans-80.6-12.1178.3-62.8-159.7108.400113.8D170 P198D170-E172 PolarHBondContact O-N 3.46Å; D170-E172 WeakPolarHBondContact OD1-CB 3.42Å; D170-E172 PolarHBondContact OD1-N 3.44Å; E172-P198 HydrophobicContact CB-CG 3.8Å; E172-P198 HydrophobicContact CG-CG 4.29Å; E172-P198 WeakPolarHBondContact OE2-CG 3.48Å
173Y98.8Very high98.6Very high15 Ų1547.7 Ų47.76%0.05924%0.241CC..  trans-66.1142.2172.8-80.9-69.6000111.8V166 V169 D170 S171 L195 T196 H197 L210 V214V166-Y173 HydrophobicContact CG1-CD2 4.21Å; V166-Y173 HydrophobicContact CG1-CG 3.79Å; V169-Y173 HydrophobicContact CB-CE2 4.35Å; V169-Y173 HydrophobicContact CG1-CE2 3.93Å; D170-Y173 HydrophobicContact CB-CD2 3.53Å; D170-Y173 HydrophobicContact CB-CE2 3.66Å; D170-Y173 PolarHBondContact O-N 3.19Å; S171-Y173 VanDerWaalsContact C-N 3.34Å; Y173-L195 HydrophobicContact CD1-CD1 3.69Å; Y173-L195 HydrophobicContact CD1-CD2 4.01Å; Y173-L195 HydrophobicContact CD1-CG 3.83Å; Y173-L195 HydrophobicContact CE1-CD1 4.41Å; Y173-L195 HydrophobicContact CE1-CD2 3.88Å; Y173-L195 HydrophobicContact CE1-CG 4.16Å; Y173-L195 HydrophobicContact CG-CD1 4.28Å; Y173-T196 WeakPolarHBondContact CA-O 3.25Å; Y173-T196 WeakPolarHBondContact CD1-O 3.43Å; Y173-H197 HydrophobicContact CD1-CB 3.89Å; Y173-H197 AromaticContact CD1-CD2 3.65Å; Y173-H197 AromaticContact CD2-CD2 3.88Å; Y173-H197 HydrophobicContact CE1-CB 3.69Å; Y173-H197 AromaticContact CE1-CD2 3.57Å; Y173-H197 AromaticContact CE1-CG 3.9Å; Y173-H197 AromaticContact CE2-CD2 3.77Å; Y173-H197 AromaticContact CG-CD2 3.78Å; Y173-H197 AromaticContact CZ-CD2 3.6Å; Y173-L210 HydrophobicContact CE1-CD2 4.45Å; Y173-L210 VanDerWaalsContact OH-CA 3.26Å; Y173-L210 WeakPolarHBondContact OH-CA 3.45Å; Y173-L210 WeakPolarHBondContact OH-CB 3.4Å; Y173-L210 WeakPolarHBondContact OH-CD2 3.5Å; Y173-L210 PolarHBondContact OH-O 3.28Å; Y173-V214 HydrophobicContact CD1-CG2 4.46Å; Y173-V214 HydrophobicContact CD2-CG2 4.33Å; Y173-V214 HydrophobicContact CE1-CG2 4.08Å; Y173-V214 HydrophobicContact CE2-CG2 3.97Å
174I98.8Very high98.6Very high81 Ų8146.6 Ų46.642%0.41524%0.244SC..EExtended strand (participates in β ladder)trans-122.1113.7166.1-55176.3000108L195 T196I174-L195 WeakPolarHBondContact O-CA 3.22Å; I174-T196 PolarHBondContact N-O 2.61Å; I174-T196 PolarHBondContact O-N 3.45Å
175A98.8Very high98.5Very high14 Ų1444.9 Ų44.912%0.11624%0.239CC..EExtended strand (participates in β ladder)trans-99.8127.4171.100000110L163 V166 V193 L194 L195L163-A175 HydrophobicContact CD1-CB 3.94Å; L163-A175 HydrophobicContact CG-CB 4.45Å; V166-A175 HydrophobicContact CG1-CB 4.27Å; V166-A175 HydrophobicContact CG2-CB 4.31Å; A175-V193 HydrophobicContact CB-CG1 4.03Å; A175-L194 CarbonylContact C-O 3.41Å; A175-L194 WeakPolarHBondContact CA-O 3.49Å; A175-L195 HydrophobicContact CB-CD1 4.01Å
176T98.9Very high98.5Very high24 Ų2451.2 Ų51.215%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-120.6119.3176.5-56.40000108.9C178 L194 Y265 V269T176-C178 PolarHBondContact O-N 3.49Å; T176-C178 PolarHBondContact O-SG 3.41Å; T176-L194 PolarHBondContact N-O 2.86Å; T176-L194 PolarHBondContact O-N 3.49Å; T176-Y265 PolarHBondContact OG1-OH 3.38Å; T176-V269 HydrophobicContact CG2-CG2 4.37Å
177V98.9Very high98.5Very high6 Ų652.7 Ų52.74%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-75.5121.7172.2-174.20000108.7M155 Q159 L163 F181 M191 D192M155-V177 HydrophobicContact CE-CG1 4.24Å; Q159-V177 HydrophobicContact CB-CG2 4Å; Q159-V177 HydrophobicContact CG-CG2 3.74Å; L163-V177 HydrophobicContact CD1-CG2 4.42Å; V177-F181 HydrophobicContact CB-CD1 3.8Å; V177-F181 HydrophobicContact CB-CE1 4.11Å; V177-F181 HydrophobicContact CG1-CB 4.02Å; V177-F181 HydrophobicContact CG1-CD1 3.48Å; V177-F181 VanDerWaalsContact CG1-CD1 3.48Å; V177-F181 HydrophobicContact CG1-CE1 4.16Å; V177-F181 HydrophobicContact CG1-CG 3.89Å; V177-M191 HydrophobicContact CG1-CE 4.35Å; V177-M191 HydrophobicContact CG1-CG 4.35Å; V177-M191 HydrophobicContact CG2-CE 3.59Å; V177-D192 CarbonylContact C-O 3.54Å; V177-D192 WeakPolarHBondContact CA-O 3.31Å
178C98.9Very high98.5Very high1 Ų146.2 Ų46.21%0.00725%0.251CS..  trans-108.6-141.5-171.7-70.80000111T176 F181 R182 D192 F272T176-C178 PolarHBondContact O-N 3.49Å; T176-C178 PolarHBondContact O-SG 3.41Å; C178-F181 PolarHBondContact O-N 2.85Å; C178-R182 PolarHBondContact O-N 3.05Å; C178-R182 VanDerWaalsContact O-N 3.11Å; C178-D192 HydrophobicContact CB-CB 4.25Å; C178-D192 PolarHBondContact N-O 3.42Å; C178-F272 HydrophobicContact CB-CB 3.9Å; C178-F272 HydrophobicContact CB-CD2 3.94Å; C178-F272 HydrophobicContact CB-CG 4.06Å; C178-F272 WeakPolarHBondContact CB-O 3.43Å
179G98.6Very high98.4Very high3 Ų341.2 Ų41.23%0.03124%0.239CC..Hα-helixtrans57.7-149.7174.300000114.1F181 R182 R183 D192 F272G179-F181 PolarHBondContact O-N 2.63Å; G179-R182 PolarHBondContact O-N 3.11Å; G179-R183 VanDerWaalsContact C-NH1 3.3Å; G179-R183 WeakPolarHBondContact O-CG 3.49Å; G179-R183 PolarHBondContact O-N 2.8Å; G179-R183 PolarHBondContact O-NH1 2.79Å; G179-D192 VanDerWaalsContact CA-OD2 3.27Å; G179-D192 WeakPolarHBondContact CA-OD2 3.1Å; G179-F272 WeakPolarHBondContact CA-O 3.49Å; G179-F272 PolarHBondContact N-O 3.09Å
180S98.4Very high98.4Very high13 Ų1341.3 Ų41.39%0.09124%0.238CC..Hα-helixtrans-61.7-28.3178.357.70000113.5R183 G184 A185 S188S180-R183 CarbonylContact O-C 3.2Å; S180-R183 PolarHBondContact O-N 2.9Å; S180-G184 PolarHBondContact O-N 2.85Å; S180-A185 VanDerWaalsContact O-CB 3.24Å; S180-A185 WeakPolarHBondContact O-CB 3.34Å; S180-A185 PolarHBondContact O-N 2.98Å; S180-S188 WeakPolarHBondContact OG-CA 3.49Å; S180-S188 WeakPolarHBondContact OG-CB 3.38Å; S180-S188 PolarHBondContact OG-OG 2.99Å
181F98.8Very high98.5Very high15 Ų1539.2 Ų39.27%0.06623%0.227CC..Hα-helixtrans-63.2-47.3177.6176.2-95.9000111.9R152 M155 L156 Q159 V177 C178 G179 R183 G184R152-F181 HydrophobicContact CG-CD2 4.47Å; R152-F181 HydrophobicContact CG-CE2 4.26Å; R152-F181 PolarHBondContact NH1-O 3.43Å; R152-F181 PolarHBondContact NH2-O 2.97Å; M155-F181 HydrophobicContact CB-CD2 3.64Å; M155-F181 HydrophobicContact CB-CE2 3.9Å; M155-F181 HydrophobicContact CE-CB 3.78Å; M155-F181 HydrophobicContact CE-CD2 4.25Å; M155-F181 HydrophobicContact CE-CG 4.19Å; M155-F181 HydrophobicContact CG-CD2 4.31Å; L156-F181 HydrophobicContact CD2-CE2 4.05Å; L156-F181 HydrophobicContact CD2-CZ 3.83Å; L156-F181 HydrophobicContact CG-CE2 4.24Å; L156-F181 HydrophobicContact CG-CZ 4.5Å; Q159-F181 VanDerWaalsContact OE1-CZ 3.31Å; V177-F181 HydrophobicContact CB-CD1 3.8Å; V177-F181 HydrophobicContact CB-CE1 4.11Å; V177-F181 HydrophobicContact CG1-CB 4.02Å; V177-F181 HydrophobicContact CG1-CD1 3.48Å; V177-F181 VanDerWaalsContact CG1-CD1 3.48Å; V177-F181 HydrophobicContact CG1-CE1 4.16Å; V177-F181 HydrophobicContact CG1-CG 3.89Å; C178-F181 PolarHBondContact O-N 2.85Å; G179-F181 PolarHBondContact O-N 2.63Å; F181-R183 VanDerWaalsContact C-N 3.25Å; F181-R183 PolarHBondContact O-N 3.42Å; F181-G184 PolarHBondContact O-N 3.38Å
182R98.8Very high98.5Very high69 Ų6935.5 Ų35.526%0.2620%0.199SC..Hα-helixtrans-67.2-25.7177-170.1166.5-173.9-91.2-2.4113C178 G179 G184 T273 E316 P330C178-R182 PolarHBondContact O-N 3.05Å; C178-R182 VanDerWaalsContact O-N 3.11Å; G179-R182 PolarHBondContact O-N 3.11Å; R182-G184 PolarHBondContact O-N 2.78Å; R182-T273 HydrophobicContact CB-CG2 4.46Å; R182-T273 WeakPolarHBondContact CD-OG1 3.46Å; R182-T273 HydrophobicContact CG-CG2 4.35Å; R182-T273 PolarHBondContact NH1-OG1 3.24Å; R182-E316 IonicContact CZ-OE1 3.17Å; R182-E316 VanDerWaalsContact CZ-OE1 3.22Å; R182-E316 IonicContact NH1-OE1 2.71Å; R182-E316 PolarHBondContact NH1-OE1 2.74Å; R182-E316 IonicContact NH1-OE2 3.87Å; R182-E316 IonicContact NH2-OE1 3.45Å; R182-E316 PolarHBondContact NH2-OE1 3.21Å; R182-P330 HydrophobicContact CG-CB 4.37Å; R182-P330 WeakPolarHBondContact O-CB 3.31Å
183R98.6Very high98.5Very high42 Ų4230.5 Ų30.516%0.15818%0.176CC..THydrogen-bonded Turntrans-785.6170.2-55.2-166-54.6-86.21.6113.6G179 S180 F181 A185 T273 P330 K331 S334G179-R183 VanDerWaalsContact C-NH1 3.3Å; G179-R183 WeakPolarHBondContact O-CG 3.49Å; G179-R183 PolarHBondContact O-N 2.8Å; G179-R183 PolarHBondContact O-NH1 2.79Å; S180-R183 CarbonylContact O-C 3.2Å; S180-R183 PolarHBondContact O-N 2.9Å; F181-R183 VanDerWaalsContact C-N 3.25Å; F181-R183 PolarHBondContact O-N 3.42Å; R183-A185 PolarHBondContact O-N 2.8Å; R183-T273 WeakPolarHBondContact CD-O 3.31Å; R183-T273 HydrophobicContact CG-CG2 3.84Å; R183-T273 PolarHBondContact NH1-O 3.42Å; R183-P330 WeakPolarHBondContact CB-O 3.2Å; R183-P330 VanDerWaalsContact CG-O 3.23Å; R183-P330 WeakPolarHBondContact CG-O 3.33Å; R183-K331 VanDerWaalsContact O-CA 3.29Å; R183-K331 WeakPolarHBondContact O-CA 3.07Å; R183-S334 PolarHBondContact NE-OG 3.44Å
184G98.2Very high98.5Very high37 Ų3729.9 Ų29.938%0.38117%0.173SC..THydrogen-bonded Turntrans74.721.8176.300000114.4S180 F181 R182S180-G184 PolarHBondContact O-N 2.85Å; F181-G184 PolarHBondContact O-N 3.38Å; R182-G184 PolarHBondContact O-N 2.78Å
185A97.4Very high98.5Very high26 Ų2626 Ų2622%0.21515%0.154CC..  trans-65140.6176.700000111.4R152 S180 R183 S187R152-A185 WeakPolarHBondContact CD-O 3.49Å; R152-A185 PolarHBondContact NH1-O 3.32Å; S180-A185 VanDerWaalsContact O-CB 3.24Å; S180-A185 WeakPolarHBondContact O-CB 3.34Å; S180-A185 PolarHBondContact O-N 2.98Å; R183-A185 PolarHBondContact O-N 2.8Å; A185-S187 WeakPolarHBondContact CB-O 3.5Å; A185-S187 PolarHBondContact O-N 2.89Å
186E97.9Very high98.5Very high152 Ų15225.5 Ų25.571%0.7115%0.149SC*.SBendtrans-69.7-17.9174.4-65.9-57.3139.800113R152R152-E186 WeakPolarHBondContact CB-O 3.1Å; R152-E186 PolarHBondContact N-O 3.15Å
187S98.1Very high98.5Very high37 Ų3724.3 Ų24.326%0.25914%0.142SC..EExtended strand (participates in β ladder)trans-150.8151.1169.4590000111.2R149 I150 A185R149-S187 PolarHBondContact NE-OG 3.49Å; R149-S187 PolarHBondContact NH2-O 3.47Å; I150-S187 CarbonylContact O-C 3.45Å; I150-S187 WeakPolarHBondContact O-CA 3.4Å; I150-S187 VanDerWaalsContact O-CB 3.27Å; I150-S187 WeakPolarHBondContact O-CB 3.41Å; A185-S187 WeakPolarHBondContact CB-O 3.5Å; A185-S187 PolarHBondContact O-N 2.89Å
188S98.5Very high98.5Very high1 Ų126 Ų261%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-115.2161.3-179.8-66.70000111.4R149 I150 S180 D190R149-S188 WeakPolarHBondContact CA-O 3.47Å; I150-S188 PolarHBondContact N-O 2.58Å; I150-S188 PolarHBondContact O-N 3.35Å; S180-S188 WeakPolarHBondContact OG-CA 3.49Å; S180-S188 WeakPolarHBondContact OG-CB 3.38Å; S180-S188 PolarHBondContact OG-OG 2.99Å; S188-D190 WeakPolarHBondContact CB-O 3.41Å
189G97.1Very high98.5Very high35 Ų3526.9 Ų26.936%0.36116%0.159SC..SBendtrans-80.9-37.9170.300000111.6
190D98.6Very high98.5Very high47 Ų4728 Ų2825%0.25116%0.163SC..SBendtrans-155.8179.9-173.149.93.2000110.3S188 R254S188-D190 WeakPolarHBondContact CB-O 3.41Å; D190-R254 HydrophobicContact CB-CB 3.65Å; D190-R254 WeakPolarHBondContact CB-O 3.31Å
191M98.8Very high98.5Very high0 Ų029.1 Ų29.10%017%0.17CC..EExtended strand (participates in β ladder)trans-107.8120175-174.2-177.2-167.800111.6M155 M158 Q159 V162 V177 V193 F223 R254 I255 D256M155-M191 HydrophobicContact CE-CB 4.02Å; M155-M191 HydrophobicContact CE-CG 4.06Å; M155-M191 HydrophobicContact SD-CB 4.31Å; M158-M191 HydrophobicContact CB-CE 4.19Å; M158-M191 HydrophobicContact CB-SD 3.8Å; M158-M191 HydrophobicContact CE-CB 3.79Å; M158-M191 HydrophobicContact CE-CG 4.39Å; M158-M191 HydrophobicContact CE-SD 3.86Å; Q159-M191 HydrophobicContact CB-CE 4.48Å; V162-M191 HydrophobicContact CB-CE 3.99Å; V162-M191 HydrophobicContact CG2-CE 3.68Å; V162-M191 HydrophobicContact CG2-SD 4.08Å; V177-M191 HydrophobicContact CG1-CE 4.35Å; V177-M191 HydrophobicContact CG1-CG 4.35Å; V177-M191 HydrophobicContact CG2-CE 3.59Å; M191-V193 HydrophobicContact CE-CG2 3.82Å; M191-V193 HydrophobicContact CG-CG2 3.93Å; M191-V193 HydrophobicContact SD-CG2 4.15Å; M191-F223 HydrophobicContact SD-CZ 4.39Å; M191-R254 PolarHBondContact N-O 3.12Å; M191-R254 VanDerWaalsContact N-O 3.07Å; M191-I255 HydrophobicContact CB-CB 4.48Å; M191-I255 HydrophobicContact CB-CG1 4.25Å; M191-I255 HydrophobicContact CG-CD1 4.49Å; M191-I255 HydrophobicContact CG-CG1 4.47Å; M191-I255 CarbonylContact O-C 3.55Å; M191-I255 VanDerWaalsContact O-CA 3.31Å; M191-I255 WeakPolarHBondContact O-CA 3.38Å; M191-I255 HydrophobicContact SD-CD1 3.94Å; M191-D256 PolarHBondContact O-N 2.87Å
192D98.9Very high98.4Very high22 Ų2231.1 Ų31.112%0.11819%0.186CC..EExtended strand (participates in β ladder)trans-103.7121.5175.2-64.4-61.3000110V177 C178 G179 F272V177-D192 CarbonylContact C-O 3.54Å; V177-D192 WeakPolarHBondContact CA-O 3.31Å; C178-D192 HydrophobicContact CB-CB 4.25Å; C178-D192 PolarHBondContact N-O 3.42Å; G179-D192 VanDerWaalsContact CA-OD2 3.27Å; G179-D192 WeakPolarHBondContact CA-OD2 3.1Å; D192-F272 HydrophobicContact CB-CD1 4.4Å; D192-F272 HydrophobicContact CB-CD2 4.23Å; D192-F272 HydrophobicContact CB-CE1 3.95Å; D192-F272 HydrophobicContact CB-CE2 3.81Å; D192-F272 HydrophobicContact CB-CZ 3.64Å; D192-F272 WeakPolarHBondContact OD1-CE1 3.43Å; D192-F272 WeakPolarHBondContact OD1-CZ 3.37Å
193V98.9Very high98.3Very high1 Ų135.7 Ų35.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-121.5110.5-179.2-172.60000110.7V162 A175 M191 I255 D256 I257 R258V162-V193 HydrophobicContact CG1-CG1 4.05Å; V162-V193 HydrophobicContact CG1-CG2 4.28Å; A175-V193 HydrophobicContact CB-CG1 4.03Å; M191-V193 HydrophobicContact CE-CG2 3.82Å; M191-V193 HydrophobicContact CG-CG2 3.93Å; M191-V193 HydrophobicContact SD-CG2 4.15Å; V193-I255 HydrophobicContact CG2-CD1 4.38Å; V193-D256 PolarHBondContact N-O 3.5Å; V193-I257 HydrophobicContact CB-CG1 4.24Å; V193-I257 HydrophobicContact CB-CG2 4.39Å; V193-I257 CarbonylContact O-C 3.4Å; V193-I257 WeakPolarHBondContact O-CA 3.1Å; V193-R258 PolarHBondContact O-N 2.83Å
194L98.9Very high98.1Very high1 Ų135.7 Ų35.71%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-79.9131.6167-168.5145.3000109A175 T176 T196 R258 I260 Y265 G268 V269 F272A175-L194 CarbonylContact C-O 3.41Å; A175-L194 WeakPolarHBondContact CA-O 3.49Å; T176-L194 PolarHBondContact N-O 2.86Å; T176-L194 PolarHBondContact O-N 3.49Å; L194-T196 HydrophobicContact CD2-CG2 3.72Å; L194-R258 WeakPolarHBondContact CA-O 3.45Å; L194-I260 HydrophobicContact CD1-CG1 4.05Å; L194-I260 HydrophobicContact CD2-CB 4.49Å; L194-I260 HydrophobicContact CG-CB 4.46Å; L194-I260 HydrophobicContact CG-CG1 4.19Å; L194-Y265 HydrophobicContact CD2-CD2 3.73Å; L194-Y265 HydrophobicContact CD2-CE2 3.81Å; L194-G268 WeakPolarHBondContact CD1-O 3.41Å; L194-V269 HydrophobicContact CD1-CB 4.27Å; L194-F272 HydrophobicContact CB-CD2 4.03Å; L194-F272 HydrophobicContact CD1-CB 4.42Å
195L98.9Very high98Very high1 Ų138.3 Ų38.31%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-121.5140.3-179.8-170.570.1000109.8V166 Y173 I174 A175 L211 V214 I257 R258 L259 I260V166-L195 HydrophobicContact CG1-CD1 3.91Å; V166-L195 HydrophobicContact CG2-CD1 4.42Å; Y173-L195 HydrophobicContact CD1-CD1 3.69Å; Y173-L195 HydrophobicContact CD1-CD2 4.01Å; Y173-L195 HydrophobicContact CD1-CG 3.83Å; Y173-L195 HydrophobicContact CE1-CD1 4.41Å; Y173-L195 HydrophobicContact CE1-CD2 3.88Å; Y173-L195 HydrophobicContact CE1-CG 4.16Å; Y173-L195 HydrophobicContact CG-CD1 4.28Å; I174-L195 WeakPolarHBondContact O-CA 3.22Å; A175-L195 HydrophobicContact CB-CD1 4.01Å; L195-L211 HydrophobicContact CD2-CD1 4.37Å; L195-V214 HydrophobicContact CD2-CB 4.24Å; L195-V214 HydrophobicContact CD2-CG1 4.31Å; L195-V214 HydrophobicContact CD2-CG2 3.86Å; L195-I257 HydrophobicContact CB-CG2 4.3Å; L195-R258 PolarHBondContact N-O 3.08Å; L195-L259 HydrophobicContact CB-CD1 4.4Å; L195-L259 HydrophobicContact CD2-CD1 4.33Å; L195-L259 HydrophobicContact CG-CD1 4.28Å; L195-L259 WeakPolarHBondContact O-CA 3.22Å; L195-I260 PolarHBondContact O-N 2.82Å
196T98.9Very high97.7Very high2 Ų245 Ų451%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-135.1153.4170.864.40000110.7Y173 I174 L194 Y265Y173-T196 WeakPolarHBondContact CA-O 3.25Å; Y173-T196 WeakPolarHBondContact CD1-O 3.43Å; I174-T196 PolarHBondContact N-O 2.61Å; I174-T196 PolarHBondContact O-N 3.45Å; L194-T196 HydrophobicContact CD2-CG2 3.72Å; T196-Y265 HydrophobicContact CG2-CD2 3.96Å
197H98.8Very high97.3Very high0 Ų040.2 Ų40.20%023%0.227CC..  trans-145.8140.3174.7-167.3-88.3000109D170 Y173 S199 F200 L210D170-H197 IonicContact OD2-NE2 3.49Å; D170-H197 PolarHBondContact OD2-NE2 3.45Å; Y173-H197 HydrophobicContact CD1-CB 3.89Å; Y173-H197 AromaticContact CD1-CD2 3.65Å; Y173-H197 AromaticContact CD2-CD2 3.88Å; Y173-H197 HydrophobicContact CE1-CB 3.69Å; Y173-H197 AromaticContact CE1-CD2 3.57Å; Y173-H197 AromaticContact CE1-CG 3.9Å; Y173-H197 AromaticContact CE2-CD2 3.77Å; Y173-H197 AromaticContact CG-CD2 3.78Å; Y173-H197 AromaticContact CZ-CD2 3.6Å; H197-S199 PolarHBondContact CE1-OG 3.13Å; H197-S199 VanDerWaalsContact CE1-OG 3.25Å; H197-S199 VanDerWaalsContact ND1-CB 3.31Å; H197-S199 WeakPolarHBondContact ND1-CB 3.5Å; H197-S199 PolarHBondContact ND1-N 2.93Å; H197-S199 VanDerWaalsContact ND1-N 3.15Å; H197-S199 PolarHBondContact ND1-OG 2.91Å; H197-S199 PolarHBondContact O-N 2.9Å; H197-F200 PolarHBondContact O-N 2.9Å; H197-L210 HydrophobicContact CB-CD1 4.24Å; H197-L210 HydrophobicContact CB-CD2 4.14Å
198P98.4Very high97Very high40 Ų4043 Ų4326%0.2624%0.244SC..THydrogen-bonded Turntrans-60.9-25.7-178.723.5-33.9000114.2E172 F200 K262E172-P198 HydrophobicContact CB-CG 3.8Å; E172-P198 HydrophobicContact CG-CG 4.29Å; E172-P198 WeakPolarHBondContact OE2-CG 3.48Å; P198-F200 PolarHBondContact O-N 3.17Å; P198-K262 HydrophobicContact CB-CD 4.08Å
199S98.3Very high96.9Very high21 Ų2149.1 Ų49.115%0.14727%0.271CS..THydrogen-bonded Turntrans-71.2-5.7173.2-52.20000114.8H197 T205 K206H197-S199 PolarHBondContact CE1-OG 3.13Å; H197-S199 VanDerWaalsContact CE1-OG 3.25Å; H197-S199 VanDerWaalsContact ND1-CB 3.31Å; H197-S199 WeakPolarHBondContact ND1-CB 3.5Å; H197-S199 PolarHBondContact ND1-N 2.93Å; H197-S199 VanDerWaalsContact ND1-N 3.15Å; H197-S199 PolarHBondContact ND1-OG 2.91Å; H197-S199 PolarHBondContact O-N 2.9Å; S199-T205 CarbonylContact O-C 3.54Å; S199-T205 WeakPolarHBondContact O-CA 3.4Å; S199-K206 PolarHBondContact O-N 3.18Å
200F98.5Very high97Very high26 Ų2647.7 Ų47.711%0.11426%0.255CS..BIsolated β-bridgetrans-124.1110.5176.5-179.4-127.3000110.8H197 P198 T205 L210 T233 L259 I260 P261 K262H197-F200 PolarHBondContact O-N 2.9Å; P198-F200 PolarHBondContact O-N 3.17Å; F200-T205 HydrophobicContact CD2-CG2 4.31Å; F200-T205 WeakPolarHBondContact CD2-OG1 3.36Å; F200-L210 HydrophobicContact CB-CD1 3.6Å; F200-T233 HydrophobicContact CE1-CG2 4.34Å; F200-T233 HydrophobicContact CZ-CG2 3.95Å; F200-L259 HydrophobicContact CD1-CD1 3.93Å; F200-L259 HydrophobicContact CD1-CD2 3.93Å; F200-L259 HydrophobicContact CD1-CG 3.57Å; F200-L259 HydrophobicContact CE1-CD2 4.24Å; F200-L259 HydrophobicContact CE1-CG 3.8Å; F200-L259 HydrophobicContact CG-CD2 4.42Å; F200-L259 HydrophobicContact CG-CG 4.48Å; F200-I260 VanDerWaalsContact CE1-C 3.48Å; F200-P261 HydrophobicContact CD1-CG 4.3Å; F200-P261 HydrophobicContact CE1-CB 4.38Å; F200-P261 VanDerWaalsContact CE1-CD 3.43Å; F200-P261 HydrophobicContact CE1-CG 3.68Å; F200-P261 VanDerWaalsContact CE1-N 3.28Å; F200-P261 HydrophobicContact CE2-CG 4.36Å; F200-P261 HydrophobicContact CZ-CG 3.71Å; F200-P261 WeakPolarHBondContact O-CA 3.33Å; F200-K262 PolarHBondContact O-N 3.35Å
201T98.6Very high97Very high37 Ų3745.5 Ų45.523%0.22724%0.243CC..  trans-134.5170.4-176.7580000110.4E203 S204 D263T201-E203 PolarHBondContact O-N 3.26Å; T201-S204 PolarHBondContact N-O 2.7Å; T201-S204 PolarHBondContact O-N 3.25Å; T201-S204 PolarHBondContact OG1-N 2.71Å; T201-S204 PolarHBondContact OG1-O 3.35Å; T201-D263 WeakPolarHBondContact CA-OD1 3.34Å; T201-D263 VanDerWaalsContact CB-OD1 3.25Å; T201-D263 WeakPolarHBondContact CB-OD1 3.43Å
202S97.1Very high97Very high57 Ų5747.1 Ų47.140%0.39925%0.25SS..SBendtrans-56.1-32.8173.865.90000112.8D263S202-D263 WeakPolarHBondContact CB-OD2 2.99Å; S202-D263 PolarHBondContact N-OD1 2.99Å; S202-D263 PolarHBondContact N-OD2 2.82Å; S202-D263 PolarHBondContact OG-OD2 3.1Å
203E96.9Very high97Very high164 Ų16449.4 Ų49.477%0.76626%0.26SS*.SBendtrans-83.5-34.7-174-60.6-51.1113.700113.1T201T201-E203 PolarHBondContact O-N 3.26Å
204S94.4Very high96.9Very high43 Ų4349.4 Ų49.430%0.30126%0.261SS..  trans-160.4154.3-172.5620000114T201T201-S204 PolarHBondContact N-O 2.7Å; T201-S204 PolarHBondContact O-N 3.25Å; T201-S204 PolarHBondContact OG1-N 2.71Å; T201-S204 PolarHBondContact OG1-O 3.35Å
205T95.8Very high96.9Very high92 Ų9249.4 Ų49.456%0.56426%0.26SS*.BIsolated β-bridgetrans-111.4100.5165.7-55.10000108.3S199 F200 Q207S199-T205 CarbonylContact O-C 3.54Å; S199-T205 WeakPolarHBondContact O-CA 3.4Å; F200-T205 HydrophobicContact CD2-CG2 4.31Å; F200-T205 WeakPolarHBondContact CD2-OG1 3.36Å; T205-Q207 WeakPolarHBondContact CG2-O 3.28Å
206K90.7Very high96.9Very high166 Ų16654.5 Ų54.572%0.72228%0.284SS*.  trans-83.4-19.3-175.9-61.2-178.4-178177.20113.2S199S199-K206 PolarHBondContact O-N 3.18Å
207Q89.8Confident96.9Very high51 Ų5156.3 Ų56.324%0.23829%0.293CS..SBendtrans-131.6127-179.3-179.6173.6-1900109.9T205 L210T205-Q207 WeakPolarHBondContact CG2-O 3.28Å; Q207-L210 HydrophobicContact CB-CD2 4.03Å; Q207-L210 HydrophobicContact CB-CG 4.31Å; Q207-L210 HydrophobicContact CG-CD2 3.85Å; Q207-L210 HydrophobicContact CG-CG 4.31Å
208P92.9Very high96.9Very high97 Ų9756.4 Ų56.463%0.6329%0.293SS*.THydrogen-bonded Turntrans-74.5165.4175.633.1-35.8000110.8L210P208-L210 PolarHBondContact O-N 2.99Å; P208-L210 VanDerWaalsContact O-N 3.1Å
209K96.7Very high96.9Very high129 Ų12958.1 Ų58.156%0.56130%0.298SS*.THydrogen-bonded Turntrans61.420.3166.3-65.1-177.4-176.3-177.60115.9L211 H212 Q213K209-L211 PolarHBondContact O-N 3.07Å; K209-H212 HydrophobicContact CB-CB 3.92Å; K209-H212 HydrophobicContact CG-CB 4.41Å; K209-H212 WeakPolarHBondContact O-CA 3.09Å; K209-H212 VanDerWaalsContact O-CB 3.31Å; K209-H212 WeakPolarHBondContact O-CB 3.38Å; K209-H212 PolarHBondContact O-N 3.46Å; K209-Q213 WeakPolarHBondContact O-CG 3.48Å; K209-Q213 PolarHBondContact O-N 2.89Å
210L98.2Very high96.9Very high5 Ų565 Ų653%0.02633%0.325CS..Hα-helixtrans-51.9-53.8-179.7-70.9167.3000112.7Y173 H197 F200 Q207 P208 H212 L259Y173-L210 HydrophobicContact CE1-CD2 4.45Å; Y173-L210 VanDerWaalsContact OH-CA 3.26Å; Y173-L210 WeakPolarHBondContact OH-CA 3.45Å; Y173-L210 WeakPolarHBondContact OH-CB 3.4Å; Y173-L210 WeakPolarHBondContact OH-CD2 3.5Å; Y173-L210 PolarHBondContact OH-O 3.28Å; H197-L210 HydrophobicContact CB-CD1 4.24Å; H197-L210 HydrophobicContact CB-CD2 4.14Å; F200-L210 HydrophobicContact CB-CD1 3.6Å; Q207-L210 HydrophobicContact CB-CD2 4.03Å; Q207-L210 HydrophobicContact CB-CG 4.31Å; Q207-L210 HydrophobicContact CG-CD2 3.85Å; Q207-L210 HydrophobicContact CG-CG 4.31Å; P208-L210 PolarHBondContact O-N 2.99Å; P208-L210 VanDerWaalsContact O-N 3.1Å; L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 2.67Å; L210-L259 HydrophobicContact CB-CD2 3.82Å; L210-L259 HydrophobicContact CD1-CD2 4.4Å
211L98.6Very high96.9Very high0 Ų066.5 Ų66.50%034%0.336CS..Hα-helixtrans-65.8-32176.3-179.159.4000112.6L195 K209 V214 V215 E232 T233 K234 F235 I257 L259L195-L211 HydrophobicContact CD2-CD1 4.37Å; K209-L211 PolarHBondContact O-N 3.07Å; L211-V214 PolarHBondContact O-N 2.73Å; L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.37Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.01Å; L211-V215 VanDerWaalsContact O-N 3.09Å; L211-E232 VanDerWaalsContact CB-O 3.3Å; L211-E232 WeakPolarHBondContact CB-O 3.28Å; L211-T233 VanDerWaalsContact CD2-C 3.47Å; L211-K234 VanDerWaalsContact CD2-N 3.34Å; L211-F235 HydrophobicContact CD1-CB 4.44Å; L211-F235 HydrophobicContact CD2-CB 4.17Å; L211-I257 HydrophobicContact CD1-CB 4.16Å; L211-I257 HydrophobicContact CD1-CG2 3.64Å; L211-L259 HydrophobicContact CB-CB 4.41Å; L211-L259 HydrophobicContact CB-CD2 4.24Å
212H98.4Very high96.9Very high34 Ų3474.9 Ų74.916%0.15736%0.364CS..Hα-helixtrans-65-45.8-178.3-68.156.1000111.2K209 L210 V214 V215 E216 K230 E232K209-H212 HydrophobicContact CB-CB 3.92Å; K209-H212 HydrophobicContact CG-CB 4.41Å; K209-H212 WeakPolarHBondContact O-CA 3.09Å; K209-H212 VanDerWaalsContact O-CB 3.31Å; K209-H212 WeakPolarHBondContact O-CB 3.38Å; K209-H212 PolarHBondContact O-N 3.46Å; L210-H212 VanDerWaalsContact C-N 3.28Å; L210-H212 PolarHBondContact O-N 2.67Å; H212-V214 VanDerWaalsContact C-N 3.32Å; H212-V214 PolarHBondContact O-N 3.41Å; H212-V215 PolarHBondContact O-N 3.17Å; H212-E216 WeakPolarHBondContact O-CB 3.49Å; H212-E216 WeakPolarHBondContact O-CG 3.49Å; H212-E216 PolarHBondContact O-N 3.18Å; H212-K230 PolarHBondContact CD2-NZ 3.33Å; H212-K230 PolarHBondContact NE2-NZ 2.95Å; H212-K230 VanDerWaalsContact NE2-NZ 3.11Å; H212-E232 IonicContact CE1-OE1 3.37Å; H212-E232 PolarHBondContact CE1-OE1 2.81Å; H212-E232 IonicContact CE1-OE2 3.63Å; H212-E232 IonicContact ND1-OE2 3.87Å
213Q98.5Very high97Very high70 Ų7072.3 Ų72.333%0.32735%0.345SS..Hα-helixtrans-60.3-41.4180-68.2174.1-39.400111.8V169 K209 E216 Q217V169-Q213 HydrophobicContact CG1-CB 3.85Å; K209-Q213 WeakPolarHBondContact O-CG 3.48Å; K209-Q213 PolarHBondContact O-N 2.89Å; Q213-E216 PolarHBondContact O-N 2.88Å; Q213-Q217 PolarHBondContact O-N 3.48Å
214V98.8Very high97.1Very high2 Ų264.8 Ų64.81%0.01231%0.31CS..Hα-helixtrans-65.3-45.4176.1170.50000111.7V166 Y173 L195 L211 H212 Q217 L218V166-V214 HydrophobicContact CG2-CG1 3.68Å; V166-V214 HydrophobicContact CG2-CG2 4.45Å; Y173-V214 HydrophobicContact CD1-CG2 4.46Å; Y173-V214 HydrophobicContact CD2-CG2 4.33Å; Y173-V214 HydrophobicContact CE1-CG2 4.08Å; Y173-V214 HydrophobicContact CE2-CG2 3.97Å; L195-V214 HydrophobicContact CD2-CB 4.24Å; L195-V214 HydrophobicContact CD2-CG1 4.31Å; L195-V214 HydrophobicContact CD2-CG2 3.86Å; L211-V214 PolarHBondContact O-N 2.73Å; H212-V214 VanDerWaalsContact C-N 3.32Å; H212-V214 PolarHBondContact O-N 3.41Å; V214-Q217 PolarHBondContact O-N 2.91Å; V214-L218 HydrophobicContact CG1-CD1 4.08Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 3.34Å
215V98.8Very high97.3Very high0 Ų065.1 Ų65.10%031%0.311CS..Hα-helixtrans-63-43.5177.6172.30000111.1L211 H212 Q217 L218 Q219 I224 K230 F235 I257L211-V215 HydrophobicContact CD1-CG2 4.2Å; L211-V215 HydrophobicContact CG-CG2 4.37Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 3.01Å; L211-V215 VanDerWaalsContact O-N 3.09Å; H212-V215 PolarHBondContact O-N 3.17Å; V215-Q217 PolarHBondContact O-N 2.83Å; V215-L218 PolarHBondContact O-N 3.4Å; V215-Q219 HydrophobicContact CG1-CG 4.37Å; V215-Q219 WeakPolarHBondContact O-CB 3.48Å; V215-Q219 VanDerWaalsContact O-CG 3.29Å; V215-Q219 WeakPolarHBondContact O-CG 3.49Å; V215-Q219 PolarHBondContact O-N 3.03Å; V215-I224 HydrophobicContact CG1-CD1 4.2Å; V215-K230 HydrophobicContact CG1-CD 4.22Å; V215-F235 HydrophobicContact CG1-CD2 3.94Å; V215-F235 HydrophobicContact CG1-CE2 3.71Å; V215-F235 HydrophobicContact CG1-CZ 4.22Å; V215-F235 HydrophobicContact CG2-CB 3.96Å; V215-F235 HydrophobicContact CG2-CD1 4.23Å; V215-F235 HydrophobicContact CG2-CD2 3.78Å; V215-F235 HydrophobicContact CG2-CE2 4.3Å; V215-F235 HydrophobicContact CG2-CG 3.72Å; V215-I257 HydrophobicContact CG2-CD1 4.47Å
216E98.7Very high97.4Very high109 Ų10961.9 Ų61.951%0.50929%0.29SS..Hα-helixtrans-61.1-41.9177.6-77.1172-167.200112H212 Q213 Q219 K220H212-E216 WeakPolarHBondContact O-CB 3.49Å; H212-E216 WeakPolarHBondContact O-CG 3.49Å; H212-E216 PolarHBondContact O-N 3.18Å; Q213-E216 PolarHBondContact O-N 2.88Å; E216-Q219 PolarHBondContact O-N 3.11Å; E216-K220 WeakPolarHBondContact O-CB 3.43Å; E216-K220 PolarHBondContact O-N 3.34Å
217Q98.7Very high97.8Very high40 Ų4055.7 Ų55.719%0.18727%0.266CS..Hα-helixtrans-64.2-44.9176.3179.360.221.800111.8E165 V169 Q213 V214 V215 Q219 K220 V221E165-Q217 HydrophobicContact CB-CG 4.24Å; E165-Q217 PolarHBondContact OE2-NE2 3.25Å; V169-Q217 HydrophobicContact CG2-CB 3.44Å; V169-Q217 VanDerWaalsContact CG2-CB 3.44Å; V169-Q217 HydrophobicContact CG2-CG 3.63Å; Q213-Q217 PolarHBondContact O-N 3.48Å; V214-Q217 PolarHBondContact O-N 2.91Å; V215-Q217 PolarHBondContact O-N 2.83Å; Q217-Q219 VanDerWaalsContact C-N 3.29Å; Q217-Q219 PolarHBondContact O-N 3.49Å; Q217-K220 WeakPolarHBondContact O-CB 3.43Å; Q217-K220 PolarHBondContact O-N 2.84Å; Q217-V221 PolarHBondContact O-N 3.31Å; Q217-V221 VanDerWaalsContact O-N 3.17Å
218L98.8Very high98.2Very high1 Ų153.9 Ų53.91%0.00526%0.258CS..Hα-helixtrans-66.8-29.8177.8-69.2173.2000112.6V162 E165 V214 V215 V221 F223 I224 I257V162-L218 HydrophobicContact CG2-CD2 4.36Å; E165-L218 HydrophobicContact CB-CD2 3.69Å; E165-L218 HydrophobicContact CG-CD2 4.14Å; V214-L218 HydrophobicContact CG1-CD1 4.08Å; V214-L218 WeakPolarHBondContact O-CG 3.36Å; V214-L218 PolarHBondContact O-N 3.34Å; V215-L218 PolarHBondContact O-N 3.4Å; L218-V221 WeakPolarHBondContact O-CG2 3.35Å; L218-F223 HydrophobicContact CD2-CD1 3.97Å; L218-F223 PolarHBondContact O-N 3.42Å; L218-I224 HydrophobicContact CB-CB 4.34Å; L218-I224 HydrophobicContact CB-CD1 3.58Å; L218-I224 HydrophobicContact CB-CG1 3.79Å; L218-I224 HydrophobicContact CD1-CD1 3.84Å; L218-I224 HydrophobicContact CD1-CG1 4.45Å; L218-I224 HydrophobicContact CG-CD1 4.38Å; L218-I224 PolarHBondContact O-N 3.4Å; L218-I257 HydrophobicContact CD1-CD1 3.94Å
219Q98.7Very high98.4Very high77 Ų7751.3 Ų51.336%0.3624%0.242SC..Hα-helixtrans-70.8-40.9170.3-74.5173.9-31.400111.9V215 E216 Q217 V221 R222 I224V215-Q219 HydrophobicContact CG1-CG 4.37Å; V215-Q219 WeakPolarHBondContact O-CB 3.48Å; V215-Q219 VanDerWaalsContact O-CG 3.29Å; V215-Q219 WeakPolarHBondContact O-CG 3.49Å; V215-Q219 PolarHBondContact O-N 3.03Å; E216-Q219 PolarHBondContact O-N 3.11Å; Q217-Q219 VanDerWaalsContact C-N 3.29Å; Q217-Q219 PolarHBondContact O-N 3.49Å; Q219-V221 VanDerWaalsContact C-N 3.29Å; Q219-V221 PolarHBondContact O-N 3.35Å; Q219-R222 WeakPolarHBondContact O-CA 3.42Å; Q219-R222 PolarHBondContact O-N 2.92Å; Q219-I224 HydrophobicContact CG-CB 3.8Å; Q219-I224 HydrophobicContact CG-CG2 3.6Å
220K98.6Very high98.5Very high164 Ų16448.8 Ų48.871%0.71323%0.231SC*.Hα-helixtrans-59.4-39179.3-178.7-178.2176.1-177.30112.3E216 Q217 R222E216-K220 WeakPolarHBondContact O-CB 3.43Å; E216-K220 PolarHBondContact O-N 3.34Å; Q217-K220 WeakPolarHBondContact O-CB 3.43Å; Q217-K220 PolarHBondContact O-N 2.84Å; K220-R222 PolarHBondContact O-N 3.45Å
221V98.3Very high98.5Very high59 Ų5950.1 Ų50.136%0.35825%0.246SC..THydrogen-bonded Turntrans-84.99.2174.5-57.80000113.6E165 Q217 L218 Q219 F223E165-V221 HydrophobicContact CG-CG1 4.49Å; E165-V221 HydrophobicContact CG-CG2 3.99Å; E165-V221 WeakPolarHBondContact OE2-CG1 3.44Å; Q217-V221 PolarHBondContact O-N 3.31Å; Q217-V221 VanDerWaalsContact O-N 3.17Å; L218-V221 WeakPolarHBondContact O-CG2 3.35Å; Q219-V221 VanDerWaalsContact C-N 3.29Å; Q219-V221 PolarHBondContact O-N 3.35Å; V221-F223 HydrophobicContact CG2-CB 3.97Å; V221-F223 PolarHBondContact O-N 2.9Å; V221-F223 VanDerWaalsContact O-N 3.16Å
222R98.1Very high98.4Very high212 Ų21255.7 Ų55.780%0.827%0.272SS*.THydrogen-bonded Turntrans58.721.1-179.4-54.7-177.2177.6173.9-1.2114.5Q219 K220Q219-R222 WeakPolarHBondContact O-CA 3.42Å; Q219-R222 PolarHBondContact O-N 2.92Å; K220-R222 PolarHBondContact O-N 3.45Å
223F98.8Very high98.4Very high4 Ų456.4 Ų56.42%0.01828%0.279CS..SBendtrans-75.3-47.7173-179.2-107000110.5M158 I161 V162 M191 L218 V221 C239 Q240 L241 I255M158-F223 HydrophobicContact CB-CE2 4.31Å; M158-F223 HydrophobicContact CB-CZ 4.02Å; M158-F223 HydrophobicContact CE-CZ 4.37Å; M158-F223 HydrophobicContact CG-CE2 4.16Å; M158-F223 HydrophobicContact CG-CZ 4.18Å; I161-F223 HydrophobicContact CB-CD2 4.45Å; I161-F223 HydrophobicContact CD1-CD2 4.03Å; I161-F223 HydrophobicContact CD1-CE2 4.19Å; I161-F223 HydrophobicContact CG2-CB 4.15Å; I161-F223 HydrophobicContact CG2-CD1 4.44Å; I161-F223 HydrophobicContact CG2-CD2 3.88Å; I161-F223 HydrophobicContact CG2-CE2 4.4Å; I161-F223 HydrophobicContact CG2-CG 3.89Å; V162-F223 HydrophobicContact CG2-CD1 4.17Å; V162-F223 HydrophobicContact CG2-CE1 3.47Å; V162-F223 VanDerWaalsContact CG2-CE1 3.47Å; V162-F223 HydrophobicContact CG2-CZ 4.01Å; M191-F223 HydrophobicContact SD-CZ 4.39Å; L218-F223 HydrophobicContact CD2-CD1 3.97Å; L218-F223 PolarHBondContact O-N 3.42Å; V221-F223 HydrophobicContact CG2-CB 3.97Å; V221-F223 PolarHBondContact O-N 2.9Å; V221-F223 VanDerWaalsContact O-N 3.16Å; F223-C239 HydrophobicContact CD1-CB 4.02Å; F223-C239 HydrophobicContact CE1-CB 3.74Å; F223-C239 HydrophobicContact CE2-CB 4.3Å; F223-C239 HydrophobicContact CG-CB 4.44Å; F223-C239 HydrophobicContact CZ-CB 3.89Å; F223-C239 CarbonylContact O-C 3.41Å; F223-C239 WeakPolarHBondContact O-CA 3.46Å; F223-C239 WeakPolarHBondContact O-CB 3.18Å; F223-Q240 WeakPolarHBondContact CD2-O 3Å; F223-Q240 PolarHBondContact O-N 3.2Å; F223-L241 HydrophobicContact CE2-CD2 4.42Å; F223-I255 HydrophobicContact CE1-CD1 3.91Å
224I98.8Very high98.4Very high6 Ų657.4 Ų57.43%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-84.9126168.6-71174.9000108.9V215 L218 Q219 F235 V238 I257V215-I224 HydrophobicContact CG1-CD1 4.2Å; L218-I224 HydrophobicContact CB-CB 4.34Å; L218-I224 HydrophobicContact CB-CD1 3.58Å; L218-I224 HydrophobicContact CB-CG1 3.79Å; L218-I224 HydrophobicContact CD1-CD1 3.84Å; L218-I224 HydrophobicContact CD1-CG1 4.45Å; L218-I224 HydrophobicContact CG-CD1 4.38Å; L218-I224 PolarHBondContact O-N 3.4Å; Q219-I224 HydrophobicContact CG-CB 3.8Å; Q219-I224 HydrophobicContact CG-CG2 3.6Å; I224-F235 HydrophobicContact CD1-CD1 4.41Å; I224-F235 HydrophobicContact CD1-CE1 3.67Å; I224-F235 HydrophobicContact CD1-CZ 3.88Å; I224-F235 HydrophobicContact CG1-CE1 4.36Å; I224-F235 HydrophobicContact CG1-CZ 4.49Å; I224-F235 HydrophobicContact CG2-CE1 4.35Å; I224-F235 HydrophobicContact CG2-CZ 3.71Å; I224-V238 CarbonylContact C-O 3.58Å; I224-V238 WeakPolarHBondContact CA-O 3.23Å; I224-I257 HydrophobicContact CD1-CD1 4.25Å
225T98.8Very high98.4Very high50 Ų5057.3 Ų57.331%0.30728%0.282SS..EExtended strand (participates in β ladder)trans-108.6-34.4-174.562.90000112.9V238 Q240 H252T225-V238 PolarHBondContact N-O 3.35Å; T225-V238 WeakPolarHBondContact OG1-CG1 3.23Å; T225-V238 PolarHBondContact OG1-O 3.07Å; T225-Q240 HydrophobicContact CG2-CB 4.04Å; T225-H252 PolarHBondContact OG1-CD2 2.9Å
226D98.8Very high98.4Very high24 Ų2459 Ų5913%0.12829%0.29CS..EExtended strand (participates in β ladder)trans-144.6153.2-177.8-49.5-114.8000110.8I138 K141 Y142 G237 V238I138-D226 HydrophobicContact CD1-CB 4.3Å; I138-D226 HydrophobicContact CG2-CB 4.05Å; K141-D226 IonicContact NZ-OD1 2.62Å; K141-D226 PolarHBondContact NZ-OD1 2.86Å; K141-D226 VanDerWaalsContact NZ-OD1 3.08Å; Y142-D226 HydrophobicContact CE2-CB 4.35Å; Y142-D226 VanDerWaalsContact CE2-OD2 3.23Å; Y142-D226 WeakPolarHBondContact CE2-OD2 3.38Å; Y142-D226 VanDerWaalsContact CZ-OD2 3.28Å; Y142-D226 PolarHBondContact OH-OD1 3.39Å; Y142-D226 PolarHBondContact OH-OD2 2.88Å; D226-G237 CarbonylContact O-C 3.37Å; D226-G237 VanDerWaalsContact O-CA 3.28Å; D226-G237 WeakPolarHBondContact O-CA 3.39Å; D226-V238 HydrophobicContact CB-CB 3.94Å; D226-V238 HydrophobicContact CB-CG2 3.87Å; D226-V238 PolarHBondContact O-N 3.17Å
227T98.8Very high98.4Very high36 Ų3653.9 Ų53.922%0.22127%0.266CS..EExtended strand (participates in β ladder)trans-113.6129.5177.2-61.10000109.4H134 K230 F235H134-T227 PolarHBondContact CD2-O 3.08Å; H134-T227 PolarHBondContact NE2-O 3.2Å; T227-K230 HydrophobicContact CG2-CB 3.98Å; T227-F235 HydrophobicContact CG2-CD2 4.33Å; T227-F235 HydrophobicContact CG2-CE2 3.77Å; T227-F235 WeakPolarHBondContact OG1-CE2 3.45Å
228L97.9Very high98.4Very high12 Ų1252 Ų526%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-90.9-45.2171.1-54.7-177.7000110.7I138 M236 R254I138-L228 HydrophobicContact CB-CD2 3.51Å; I138-L228 HydrophobicContact CG1-CD2 4.2Å; I138-L228 HydrophobicContact CG2-CD2 3.41Å; I138-L228 VanDerWaalsContact CG2-CD2 3.41Å; L228-M236 WeakPolarHBondContact CA-O 3.36Å; L228-M236 HydrophobicContact CB-CB 4.43Å; L228-M236 WeakPolarHBondContact CB-O 3.3Å; L228-M236 PolarHBondContact N-O 2.95Å; L228-R254 VanDerWaalsContact CD1-CZ 3.44Å
229S97.8Very high98.4Very high43 Ų4351.9 Ų51.930%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-156.9150.3174.571.50000110.3M236S229-M236 PolarHBondContact N-O 3.34Å; S229-M236 PolarHBondContact O-N 3.17Å; S229-M236 WeakPolarHBondContact OG-CE 3.47Å
230K98.1Very high98.4Very high77 Ų7749.7 Ų49.734%0.33525%0.246SC..EExtended strand (participates in β ladder)trans-147.8129.6-179.6-176.9167.8178.2-870110.1H212 V215 T227 F235H212-K230 PolarHBondContact CD2-NZ 3.33Å; H212-K230 PolarHBondContact NE2-NZ 2.95Å; H212-K230 VanDerWaalsContact NE2-NZ 3.11Å; V215-K230 HydrophobicContact CG1-CD 4.22Å; T227-K230 HydrophobicContact CG2-CB 3.98Å; K230-F235 HydrophobicContact CB-CD2 4.12Å; K230-F235 HydrophobicContact CD-CD2 3.98Å; K230-F235 HydrophobicContact CD-CE2 4.45Å; K230-F235 HydrophobicContact CG-CD2 4.08Å
231G97.3Very high98.4Very high33 Ų3342.2 Ų42.234%0.3421%0.214SC..  trans-133-165.3170.200000110.9K234G231-K234 PolarHBondContact N-O 3.48Å
232E97.3Very high98.3Very high117 Ų11743.9 Ų43.955%0.54723%0.226SC..SBendtrans-67.1-37-178.5-64.5-52.5134.400113.4L211 H212L211-E232 VanDerWaalsContact CB-O 3.3Å; L211-E232 WeakPolarHBondContact CB-O 3.28Å; H212-E232 IonicContact CE1-OE1 3.37Å; H212-E232 PolarHBondContact CE1-OE1 2.81Å; H212-E232 IonicContact CE1-OE2 3.63Å; H212-E232 IonicContact ND1-OE2 3.87Å
233T97.9Very high98Very high48 Ų4835.7 Ų35.729%0.29420%0.201SC..SBendtrans-115.9-10.1-173.558.90000114.5F200 L211 R258 L259F200-T233 HydrophobicContact CE1-CG2 4.34Å; F200-T233 HydrophobicContact CZ-CG2 3.95Å; L211-T233 VanDerWaalsContact CD2-C 3.47Å; T233-R258 WeakPolarHBondContact O-CA 3.34Å; T233-R258 WeakPolarHBondContact O-CD 3.46Å; T233-L259 PolarHBondContact O-N 3.18Å
234K98.5Very high97.6Very high91 Ų9142.7 Ų42.740%0.39623%0.232SC..EExtended strand (participates in β ladder)trans-137.5132.4-179.7-166.1-18070.2159.90112L211 G231 M236 I257L211-K234 VanDerWaalsContact CD2-N 3.34Å; G231-K234 PolarHBondContact N-O 3.48Å; K234-M236 HydrophobicContact CD-CG 4.27Å; K234-M236 HydrophobicContact CD-SD 4.43Å; K234-M236 HydrophobicContact CG-CG 4.37Å; K234-M236 PolarHBondContact NZ-SD 3.12Å; K234-I257 WeakPolarHBondContact CA-O 3.48Å
235F98.8Very high96.8Very high0 Ų049.8 Ų49.80%027%0.27CS..EExtended strand (participates in β ladder)trans-118.3135168.4170.8-96.8000108.9L211 V215 I224 T227 K230 I255 D256 I257L211-F235 HydrophobicContact CD1-CB 4.44Å; L211-F235 HydrophobicContact CD2-CB 4.17Å; V215-F235 HydrophobicContact CG1-CD2 3.94Å; V215-F235 HydrophobicContact CG1-CE2 3.71Å; V215-F235 HydrophobicContact CG1-CZ 4.22Å; V215-F235 HydrophobicContact CG2-CB 3.96Å; V215-F235 HydrophobicContact CG2-CD1 4.23Å; V215-F235 HydrophobicContact CG2-CD2 3.78Å; V215-F235 HydrophobicContact CG2-CE2 4.3Å; V215-F235 HydrophobicContact CG2-CG 3.72Å; I224-F235 HydrophobicContact CD1-CD1 4.41Å; I224-F235 HydrophobicContact CD1-CE1 3.67Å; I224-F235 HydrophobicContact CD1-CZ 3.88Å; I224-F235 HydrophobicContact CG1-CE1 4.36Å; I224-F235 HydrophobicContact CG1-CZ 4.49Å; I224-F235 HydrophobicContact CG2-CE1 4.35Å; I224-F235 HydrophobicContact CG2-CZ 3.71Å; T227-F235 HydrophobicContact CG2-CD2 4.33Å; T227-F235 HydrophobicContact CG2-CE2 3.77Å; T227-F235 WeakPolarHBondContact OG1-CE2 3.45Å; K230-F235 HydrophobicContact CB-CD2 4.12Å; K230-F235 HydrophobicContact CD-CD2 3.98Å; K230-F235 HydrophobicContact CD-CE2 4.45Å; K230-F235 HydrophobicContact CG-CD2 4.08Å; F235-I255 HydrophobicContact CE1-CG2 4.13Å; F235-D256 WeakPolarHBondContact O-CA 3.39Å; F235-I257 HydrophobicContact CB-CB 4.23Å; F235-I257 HydrophobicContact CD1-CB 4.4Å; F235-I257 HydrophobicContact CD1-CD1 3.99Å; F235-I257 HydrophobicContact CD1-CG1 4.06Å; F235-I257 PolarHBondContact N-O 2.92Å; F235-I257 PolarHBondContact O-N 2.97Å
236M98.8Very high96.2Very high37 Ų3755.7 Ų55.718%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-126.2120.3169.2-55.9-168-62.500107.6L228 S229 K234 D256L228-M236 WeakPolarHBondContact CA-O 3.36Å; L228-M236 HydrophobicContact CB-CB 4.43Å; L228-M236 WeakPolarHBondContact CB-O 3.3Å; L228-M236 PolarHBondContact N-O 2.95Å; S229-M236 PolarHBondContact N-O 3.34Å; S229-M236 PolarHBondContact O-N 3.17Å; S229-M236 WeakPolarHBondContact OG-CE 3.47Å; K234-M236 HydrophobicContact CD-CG 4.27Å; K234-M236 HydrophobicContact CD-SD 4.43Å; K234-M236 HydrophobicContact CG-CG 4.37Å; K234-M236 PolarHBondContact NZ-SD 3.12Å; M236-D256 VanDerWaalsContact CA-OD1 3.25Å; M236-D256 WeakPolarHBondContact CA-OD1 3.49Å; M236-D256 WeakPolarHBondContact CB-OD1 3.45Å; M236-D256 VanDerWaalsContact CG-OD1 3.22Å; M236-D256 WeakPolarHBondContact CG-OD1 3.23Å
237G98.7Very high95.8Very high0 Ų059.2 Ų59.20%032%0.315CS..EExtended strand (participates in β ladder)trans-153.6-158.5-176.100000115D226 R254 I255D226-G237 CarbonylContact O-C 3.37Å; D226-G237 VanDerWaalsContact O-CA 3.28Å; D226-G237 WeakPolarHBondContact O-CA 3.39Å; G237-R254 PolarHBondContact O-NH1 3.32Å; G237-I255 PolarHBondContact N-O 3.26Å; G237-I255 PolarHBondContact O-N 3.41Å; G237-I255 VanDerWaalsContact O-N 3.13Å
238V98.9Very high95.5Very high0 Ų066.7 Ų66.70%035%0.345CS..EExtended strand (participates in β ladder)trans-127.4139.7-177.3-170.50000108.3I138 Y142 F146 I224 T225 D226 H252 R253I138-V238 HydrophobicContact CG2-CG2 3.81Å; Y142-V238 HydrophobicContact CD2-CG1 4.1Å; Y142-V238 HydrophobicContact CD2-CG2 4.13Å; Y142-V238 HydrophobicContact CE2-CB 4.37Å; Y142-V238 HydrophobicContact CE2-CG1 3.92Å; Y142-V238 HydrophobicContact CE2-CG2 4.12Å; F146-V238 HydrophobicContact CE1-CG1 4.05Å; F146-V238 HydrophobicContact CE1-CG2 4.19Å; F146-V238 HydrophobicContact CZ-CG1 4.3Å; F146-V238 HydrophobicContact CZ-CG2 3.64Å; I224-V238 CarbonylContact C-O 3.58Å; I224-V238 WeakPolarHBondContact CA-O 3.23Å; T225-V238 PolarHBondContact N-O 3.35Å; T225-V238 WeakPolarHBondContact OG1-CG1 3.23Å; T225-V238 PolarHBondContact OG1-O 3.07Å; D226-V238 HydrophobicContact CB-CB 3.94Å; D226-V238 HydrophobicContact CB-CG2 3.87Å; D226-V238 PolarHBondContact O-N 3.17Å; V238-H252 HydrophobicContact CG1-CB 3.72Å; V238-R253 CarbonylContact C-O 3.6Å; V238-R253 WeakPolarHBondContact CA-O 3.43Å
239C98.8Very high95.4Very high0 Ų072.4 Ų72.40%037%0.371CS..EExtended strand (participates in β ladder)trans-13416317563.70000111.5F223 R253 I255F223-C239 HydrophobicContact CD1-CB 4.02Å; F223-C239 HydrophobicContact CE1-CB 3.74Å; F223-C239 HydrophobicContact CE2-CB 4.3Å; F223-C239 HydrophobicContact CG-CB 4.44Å; F223-C239 HydrophobicContact CZ-CB 3.89Å; F223-C239 CarbonylContact O-C 3.41Å; F223-C239 WeakPolarHBondContact O-CA 3.46Å; F223-C239 WeakPolarHBondContact O-CB 3.18Å; C239-R253 PolarHBondContact N-O 2.75Å; C239-R253 PolarHBondContact O-N 3.38Å; C239-I255 HydrophobicContact CB-CB 4.38Å; C239-I255 HydrophobicContact CB-CG2 3.85Å
240Q98.8Very high95.4Very high30 Ų3073.2 Ų73.214%0.1437%0.368CS..  trans-144.7139.8178.2-162.9-174.325.600109.2F223 T225 E249 Y250 H252F223-Q240 WeakPolarHBondContact CD2-O 3Å; F223-Q240 PolarHBondContact O-N 3.2Å; T225-Q240 HydrophobicContact CG2-CB 4.04Å; Q240-E249 PolarHBondContact NE2-OE2 3.15Å; Q240-E249 VanDerWaalsContact NE2-OE2 3.16Å; Q240-Y250 PolarHBondContact NE2-O 3.08Å; Q240-H252 PolarHBondContact NE2-CE1 3.15Å; Q240-H252 VanDerWaalsContact NE2-CE1 3.26Å; Q240-H252 PolarHBondContact NE2-ND1 3.37Å; Q240-H252 PolarHBondContact OE1-CE1 2.81Å
241L98.4Very high95.5Very high7 Ų770.8 Ų70.84%0.03736%0.36CS..PPolyproline II helixtrans-71.5141.4169.4-80172.9000110E154 Q157 M158 I161 F223 Y250E154-L241 HydrophobicContact CB-CD1 3.91Å; E154-L241 HydrophobicContact CG-CD1 4.06Å; Q157-L241 HydrophobicContact CB-CD1 4.16Å; Q157-L241 HydrophobicContact CB-CD2 3.83Å; M158-L241 HydrophobicContact CB-CD2 4.46Å; M158-L241 HydrophobicContact CG-CD1 4.01Å; M158-L241 HydrophobicContact CG-CD2 3.65Å; M158-L241 HydrophobicContact CG-CG 3.69Å; I161-L241 HydrophobicContact CD1-CD2 3.7Å; F223-L241 HydrophobicContact CE2-CD2 4.42Å; L241-Y250 HydrophobicContact CB-CD1 4.46Å; L241-Y250 HydrophobicContact CB-CD2 3.61Å; L241-Y250 HydrophobicContact CB-CE2 4.13Å; L241-Y250 HydrophobicContact CB-CG 3.82Å; L241-Y250 HydrophobicContact CD1-CD1 4.31Å; L241-Y250 HydrophobicContact CD1-CE1 4.36Å; L241-Y250 HydrophobicContact CD1-CG 4.47Å
242P96.3Very high95.5Very high94 Ų9470.4 Ų70.461%0.6135%0.349SS*.PPolyproline II helixtrans-63.7138.717128.4-33.5000109.7I161I161-P242 HydrophobicContact CD1-CG 4.26Å
243S92.8Very high95.6Very high40 Ų4065.3 Ų65.328%0.2833%0.325SS..PPolyproline II helixtrans-103.5147.4176.3-510000109.4E249 Y250S243-E249 WeakPolarHBondContact OG-CA 3.26Å; S243-Y250 WeakPolarHBondContact OG-CD2 3.3Å; S243-Y250 PolarHBondContact OG-N 2.75Å
244K88.9Confident95.6Very high152 Ų15264.5 Ų64.566%0.66132%0.317SS*.PPolyproline II helixtrans-73.9163174.2-63.7177.8-176.2169.10110.2D246 E247K244-D246 PolarHBondContact O-N 2.65Å; K244-E247 HydrophobicContact CB-CG 4.23Å; K244-E247 PolarHBondContact O-N 2.98Å; K244-E247 VanDerWaalsContact O-N 3.14Å
245N81.8Confident95.7Very high154 Ų15460.1 Ų60.182%0.82430%0.298SS*.THydrogen-bonded Turntrans-54.4136.3172.5-65.7-14.1000109.7E247N245-E247 PolarHBondContact O-N 3.27Å
246D86.5Confident95.7Very high175 Ų17561.4 Ų61.494%0.93631%0.305SS*.THydrogen-bonded Turntrans67.73.4-179-49.3-41.8000116.5K244K244-D246 PolarHBondContact O-N 2.65Å
247E91.1Very high95.7Very high98 Ų9859.7 Ų59.746%0.45830%0.296SS..SBendtrans-89.7145.2170.4-70.6-179.7-177.900111.4K244 N245 E249K244-E247 HydrophobicContact CB-CG 4.23Å; K244-E247 PolarHBondContact O-N 2.98Å; K244-E247 VanDerWaalsContact O-N 3.14Å; N245-E247 PolarHBondContact O-N 3.27Å; E247-E249 PolarHBondContact O-N 3.46Å
248K92.3Very high95.7Very high193 Ų19360.8 Ų60.884%0.83930%0.3SS*.PPolyproline II helixtrans-63.7134.2172179.9177.5178.81760109.4Y250K248-Y250 PolarHBondContact O-N 3.4Å
249E96.3Very high95.7Very high132 Ų13261.1 Ų61.162%0.61730%0.302SS*.PPolyproline II helixtrans-54139.1177.3-72.1-172.4-168.100113.1Q240 S243 E247Q240-E249 PolarHBondContact NE2-OE2 3.15Å; Q240-E249 VanDerWaalsContact NE2-OE2 3.16Å; S243-E249 WeakPolarHBondContact OG-CA 3.26Å; E247-E249 PolarHBondContact O-N 3.46Å
250Y98Very high95.7Very high59 Ų5961.1 Ų61.123%0.23130%0.302CS..PPolyproline II helixtrans-61.4146.8169.9-73.7-82.2000111E154 Q240 L241 S243 K248E154-Y250 HydrophobicContact CG-CD1 4.35Å; E154-Y250 HydrophobicContact CG-CE1 4.07Å; Q240-Y250 PolarHBondContact NE2-O 3.08Å; L241-Y250 HydrophobicContact CB-CD1 4.46Å; L241-Y250 HydrophobicContact CB-CD2 3.61Å; L241-Y250 HydrophobicContact CB-CE2 4.13Å; L241-Y250 HydrophobicContact CB-CG 3.82Å; L241-Y250 HydrophobicContact CD1-CD1 4.31Å; L241-Y250 HydrophobicContact CD1-CE1 4.36Å; L241-Y250 HydrophobicContact CD1-CG 4.47Å; S243-Y250 WeakPolarHBondContact OG-CD2 3.3Å; S243-Y250 PolarHBondContact OG-N 2.75Å; K248-Y250 PolarHBondContact O-N 3.4Å
251P98.4Very high95.7Very high26 Ų2660.1 Ų60.117%0.16930%0.298CS..PPolyproline II helixtrans-59145.1171.7-19.931.9000111.3D145 K148 R253D145-P251 HydrophobicContact CB-CB 4.15Å; K148-P251 HydrophobicContact CD-CB 4.02Å; K148-P251 HydrophobicContact CD-CG 3.85Å; P251-R253 WeakPolarHBondContact O-CD 3.48Å; P251-R253 WeakPolarHBondContact O-CG 3.47Å; P251-R253 PolarHBondContact O-N 3.21Å; P251-R253 PolarHBondContact O-NE 3.4Å
252H98.8Very high95.7Very high25 Ų2563.3 Ų63.312%0.11631%0.312CS..PPolyproline II helixtrans-67.5132.6170.8-77.767.9000110.2Y142 D145 T225 V238 Q240Y142-H252 HydrophobicContact CD1-CB 3.64Å; Y142-H252 AromaticContact CD1-CG 3.74Å; Y142-H252 HydrophobicContact CE1-CB 3.8Å; Y142-H252 AromaticContact CE1-CD2 3.42Å; Y142-H252 VanDerWaalsContact CE1-CD2 3.42Å; Y142-H252 WeakPolarHBondContact CE1-CD2 3.45Å; Y142-H252 AromaticContact CE1-CE1 3.97Å; Y142-H252 AromaticContact CE1-CG 3.37Å; Y142-H252 AromaticContact CE1-ND1 3.72Å; Y142-H252 AromaticContact CE1-NE2 3.8Å; Y142-H252 HydrophobicContact CG-CB 4.06Å; Y142-H252 AromaticContact CZ-CD2 3.4Å; Y142-H252 VanDerWaalsContact CZ-CD2 3.4Å; Y142-H252 AromaticContact CZ-CG 3.84Å; Y142-H252 AromaticContact CZ-NE2 3.85Å; Y142-H252 PolarHBondContact OH-CD2 2.93Å; Y142-H252 PolarHBondContact OH-NE2 3.32Å; D145-H252 HydrophobicContact CB-CB 4.46Å; D145-H252 PolarHBondContact OD2-N 2.91Å; T225-H252 PolarHBondContact OG1-CD2 2.9Å; V238-H252 HydrophobicContact CG1-CB 3.72Å; Q240-H252 PolarHBondContact NE2-CE1 3.15Å; Q240-H252 VanDerWaalsContact NE2-CE1 3.26Å; Q240-H252 PolarHBondContact NE2-ND1 3.37Å; Q240-H252 PolarHBondContact OE1-CE1 2.81Å
253R98.8Very high95.8Very high11 Ų1162.6 Ų62.64%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-115.3144.1-173.3-53-49.2-168.6160.34.9111K148 R149 I150 E154 M158 V238 C239 P251K148-R253 PolarHBondContact O-NH1 3.12Å; R149-R253 PolarHBondContact O-NH1 3.37Å; R149-R253 PolarHBondContact O-NH2 3.02Å; I150-R253 HydrophobicContact CD1-CB 3.8Å; I150-R253 HydrophobicContact CD1-CG 3.82Å; I150-R253 HydrophobicContact CG1-CG 4.21Å; E154-R253 IonicContact OE1-NH2 2.76Å; E154-R253 IonicContact OE2-CZ 3.07Å; E154-R253 IonicContact OE2-NE 3.77Å; E154-R253 IonicContact OE2-NH2 3.4Å; E154-R253 PolarHBondContact OE2-NH2 3.11Å; M158-R253 HydrophobicContact CE-CB 4.1Å; M158-R253 HydrophobicContact CE-CG 4.32Å; V238-R253 CarbonylContact C-O 3.6Å; V238-R253 WeakPolarHBondContact CA-O 3.43Å; C239-R253 PolarHBondContact N-O 2.75Å; C239-R253 PolarHBondContact O-N 3.38Å; P251-R253 WeakPolarHBondContact O-CD 3.48Å; P251-R253 WeakPolarHBondContact O-CG 3.47Å; P251-R253 PolarHBondContact O-N 3.21Å; P251-R253 PolarHBondContact O-NE 3.4Å
254R98.9Very high96.1Very high30 Ų3062.1 Ų62.111%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-69.6140.4168.9-78.2-75.7-65.8123.69109.9F146 D190 M191 L228 G237 D256F146-R254 HydrophobicContact CD1-CG 3.83Å; F146-R254 HydrophobicContact CD2-CG 4.02Å; F146-R254 HydrophobicContact CE1-CG 3.83Å; F146-R254 HydrophobicContact CE2-CG 4.02Å; F146-R254 HydrophobicContact CG-CG 3.94Å; F146-R254 HydrophobicContact CZ-CG 3.92Å; D190-R254 HydrophobicContact CB-CB 3.65Å; D190-R254 WeakPolarHBondContact CB-O 3.31Å; M191-R254 PolarHBondContact N-O 3.12Å; M191-R254 VanDerWaalsContact N-O 3.07Å; L228-R254 VanDerWaalsContact CD1-CZ 3.44Å; G237-R254 PolarHBondContact O-NH1 3.32Å; R254-D256 IonicContact CZ-OD1 2.81Å; R254-D256 IonicContact NH1-OD1 2.83Å; R254-D256 PolarHBondContact NH1-OD1 3.4Å; R254-D256 VanDerWaalsContact NH2-CG 3.32Å; R254-D256 IonicContact NH2-OD1 2.65Å; R254-D256 PolarHBondContact NH2-OD1 2.94Å; R254-D256 IonicContact NH2-OD2 3.08Å; R254-D256 PolarHBondContact NH2-OD2 3.36Å; R254-D256 VanDerWaalsContact NH2-OD2 3.17Å
255I98.9Very high96.6Very high0 Ų057.5 Ų57.50%028%0.275CS..EExtended strand (participates in β ladder)trans-137.7135.7172.9-177.3169.2000109.9V162 M191 V193 F223 F235 G237 C239 I257V162-I255 HydrophobicContact CG2-CD1 4.49Å; M191-I255 HydrophobicContact CB-CB 4.48Å; M191-I255 HydrophobicContact CB-CG1 4.25Å; M191-I255 HydrophobicContact CG-CD1 4.49Å; M191-I255 HydrophobicContact CG-CG1 4.47Å; M191-I255 CarbonylContact O-C 3.55Å; M191-I255 VanDerWaalsContact O-CA 3.31Å; M191-I255 WeakPolarHBondContact O-CA 3.38Å; M191-I255 HydrophobicContact SD-CD1 3.94Å; V193-I255 HydrophobicContact CG2-CD1 4.38Å; F223-I255 HydrophobicContact CE1-CD1 3.91Å; F235-I255 HydrophobicContact CE1-CG2 4.13Å; G237-I255 PolarHBondContact N-O 3.26Å; G237-I255 PolarHBondContact O-N 3.41Å; G237-I255 VanDerWaalsContact O-N 3.13Å; C239-I255 HydrophobicContact CB-CB 4.38Å; C239-I255 HydrophobicContact CB-CG2 3.85Å; I255-I257 HydrophobicContact CD1-CD1 4.35Å; I255-I257 HydrophobicContact CD1-CG1 4.27Å; I255-I257 HydrophobicContact CG1-CG1 4.15Å
256D98.9Very high97.4Very high27 Ų2753.8 Ų53.814%0.14425%0.25CC..EExtended strand (participates in β ladder)trans-123.6125.2174.6-70.8-28.1000109.5M191 V193 F235 M236 R254 F272M191-D256 PolarHBondContact O-N 2.87Å; V193-D256 PolarHBondContact N-O 3.5Å; F235-D256 WeakPolarHBondContact O-CA 3.39Å; M236-D256 VanDerWaalsContact CA-OD1 3.25Å; M236-D256 WeakPolarHBondContact CA-OD1 3.49Å; M236-D256 WeakPolarHBondContact CB-OD1 3.45Å; M236-D256 VanDerWaalsContact CG-OD1 3.22Å; M236-D256 WeakPolarHBondContact CG-OD1 3.23Å; R254-D256 IonicContact CZ-OD1 2.81Å; R254-D256 IonicContact NH1-OD1 2.83Å; R254-D256 PolarHBondContact NH1-OD1 3.4Å; R254-D256 VanDerWaalsContact NH2-CG 3.32Å; R254-D256 IonicContact NH2-OD1 2.65Å; R254-D256 PolarHBondContact NH2-OD1 2.94Å; R254-D256 IonicContact NH2-OD2 3.08Å; R254-D256 PolarHBondContact NH2-OD2 3.36Å; R254-D256 VanDerWaalsContact NH2-OD2 3.17Å; D256-F272 HydrophobicContact CB-CZ 4.18Å
257I98.9Very high98Very high1 Ų145.7 Ų45.71%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-115.7126.4178.7-50.6174.4000108.2V193 L195 L211 V215 L218 I224 K234 F235 I255V193-I257 HydrophobicContact CB-CG1 4.24Å; V193-I257 HydrophobicContact CB-CG2 4.39Å; V193-I257 CarbonylContact O-C 3.4Å; V193-I257 WeakPolarHBondContact O-CA 3.1Å; L195-I257 HydrophobicContact CB-CG2 4.3Å; L211-I257 HydrophobicContact CD1-CB 4.16Å; L211-I257 HydrophobicContact CD1-CG2 3.64Å; V215-I257 HydrophobicContact CG2-CD1 4.47Å; L218-I257 HydrophobicContact CD1-CD1 3.94Å; I224-I257 HydrophobicContact CD1-CD1 4.25Å; K234-I257 WeakPolarHBondContact CA-O 3.48Å; F235-I257 HydrophobicContact CB-CB 4.23Å; F235-I257 HydrophobicContact CD1-CB 4.4Å; F235-I257 HydrophobicContact CD1-CD1 3.99Å; F235-I257 HydrophobicContact CD1-CG1 4.06Å; F235-I257 PolarHBondContact N-O 2.92Å; F235-I257 PolarHBondContact O-N 2.97Å; I255-I257 HydrophobicContact CD1-CD1 4.35Å; I255-I257 HydrophobicContact CD1-CG1 4.27Å; I255-I257 HydrophobicContact CG1-CG1 4.15Å
258R98.8Very high98.3Very high22 Ų2241 Ų418%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-122.3112-179.1-173.170.3-176.1-88.72.4110.4V193 L194 L195 T233 I260 F272 E295 Y296V193-R258 PolarHBondContact O-N 2.83Å; L194-R258 WeakPolarHBondContact CA-O 3.45Å; L195-R258 PolarHBondContact N-O 3.08Å; T233-R258 WeakPolarHBondContact O-CA 3.34Å; T233-R258 WeakPolarHBondContact O-CD 3.46Å; R258-I260 HydrophobicContact CG-CD1 3.87Å; R258-I260 HydrophobicContact CG-CG1 3.94Å; R258-F272 HydrophobicContact CB-CD2 4.29Å; R258-F272 HydrophobicContact CB-CE2 3.84Å; R258-F272 HydrophobicContact CB-CZ 4.23Å; R258-E295 IonicContact CZ-OE1 2.78Å; R258-E295 IonicContact NH1-OE1 2.64Å; R258-E295 PolarHBondContact NH1-OE1 3.02Å; R258-E295 IonicContact NH2-OE1 2.71Å; R258-E295 PolarHBondContact NH2-OE1 3.13Å; R258-Y296 PolarHBondContact NH2-OH 2.77Å
259L98.9Very high98.7Very high7 Ų731.9 Ų31.94%0.03715%0.145CC..EExtended strand (participates in β ladder)trans-79.4121.5169.3178.164.7000109L195 F200 L210 L211 T233L195-L259 HydrophobicContact CB-CD1 4.4Å; L195-L259 HydrophobicContact CD2-CD1 4.33Å; L195-L259 HydrophobicContact CG-CD1 4.28Å; L195-L259 WeakPolarHBondContact O-CA 3.22Å; F200-L259 HydrophobicContact CD1-CD1 3.93Å; F200-L259 HydrophobicContact CD1-CD2 3.93Å; F200-L259 HydrophobicContact CD1-CG 3.57Å; F200-L259 HydrophobicContact CE1-CD2 4.24Å; F200-L259 HydrophobicContact CE1-CG 3.8Å; F200-L259 HydrophobicContact CG-CD2 4.42Å; F200-L259 HydrophobicContact CG-CG 4.48Å; L210-L259 HydrophobicContact CB-CD2 3.82Å; L210-L259 HydrophobicContact CD1-CD2 4.4Å; L211-L259 HydrophobicContact CB-CB 4.41Å; L211-L259 HydrophobicContact CB-CD2 4.24Å; T233-L259 PolarHBondContact O-N 3.18Å
260I98.8Very high98.8Very high1 Ų125.8 Ų25.81%0.00512%0.117CC..  trans-117.7143.7179.1-69.2-64.9000108.8L194 L195 F200 R258 K262 Q264 E295 Y296L194-I260 HydrophobicContact CD1-CG1 4.05Å; L194-I260 HydrophobicContact CD2-CB 4.49Å; L194-I260 HydrophobicContact CG-CB 4.46Å; L194-I260 HydrophobicContact CG-CG1 4.19Å; L195-I260 PolarHBondContact O-N 2.82Å; F200-I260 VanDerWaalsContact CE1-C 3.48Å; R258-I260 HydrophobicContact CG-CD1 3.87Å; R258-I260 HydrophobicContact CG-CG1 3.94Å; I260-K262 PolarHBondContact O-N 3.17Å; I260-Q264 HydrophobicContact CG2-CB 4.34Å; I260-E295 HydrophobicContact CD1-CG 4.23Å; I260-Y296 HydrophobicContact CD1-CD1 4.33Å; I260-Y296 HydrophobicContact CD1-CE1 3.86Å
261P98.8Very high98.8Very high8 Ų826.5 Ų26.55%0.05212%0.12CC..  trans-52131.5171.4-29.438.2000111.4F200 D263 Q264F200-P261 HydrophobicContact CD1-CG 4.3Å; F200-P261 HydrophobicContact CE1-CB 4.38Å; F200-P261 VanDerWaalsContact CE1-CD 3.43Å; F200-P261 HydrophobicContact CE1-CG 3.68Å; F200-P261 VanDerWaalsContact CE1-N 3.28Å; F200-P261 HydrophobicContact CE2-CG 4.36Å; F200-P261 HydrophobicContact CZ-CG 3.71Å; F200-P261 WeakPolarHBondContact O-CA 3.33Å; P261-D263 VanDerWaalsContact C-N 3.26Å; P261-D263 PolarHBondContact O-N 2.89Å; P261-Q264 HydrophobicContact CB-CB 4.19Å; P261-Q264 HydrophobicContact CB-CG 4.25Å; P261-Q264 PolarHBondContact O-N 2.78Å
262K98.8Very high98.8Very high75 Ų7526.4 Ų26.433%0.32612%0.117SC..G310 helixtrans-58.3-39.4-170.8-175.6-179.6176.270.60112.7P198 F200 I260 Q264 Y265P198-K262 HydrophobicContact CB-CD 4.08Å; F200-K262 PolarHBondContact O-N 3.35Å; I260-K262 PolarHBondContact O-N 3.17Å; K262-Q264 PolarHBondContact O-N 3.06Å; K262-Y265 WeakPolarHBondContact O-CB 3.49Å; K262-Y265 PolarHBondContact O-N 3.31Å
263D98.6Very high98.8Very high78 Ų7825.2 Ų25.242%0.41711%0.111SC..G310 helixtrans-70-12.8177.658.5-67.4000113.8T201 S202 P261T201-D263 WeakPolarHBondContact CA-OD1 3.34Å; T201-D263 VanDerWaalsContact CB-OD1 3.25Å; T201-D263 WeakPolarHBondContact CB-OD1 3.43Å; S202-D263 WeakPolarHBondContact CB-OD2 2.99Å; S202-D263 PolarHBondContact N-OD1 2.99Å; S202-D263 PolarHBondContact N-OD2 2.82Å; S202-D263 PolarHBondContact OG-OD2 3.1Å; P261-D263 VanDerWaalsContact C-N 3.26Å; P261-D263 PolarHBondContact O-N 2.89Å
264Q98.8Very high98.8Very high30 Ų3025 Ų2514%0.1411%0.112CC..G310 helixtrans-107.516.7177.9-65.4176.3-1400112.6I260 P261 K262 Y266 C267 G268 Y296I260-Q264 HydrophobicContact CG2-CB 4.34Å; P261-Q264 HydrophobicContact CB-CB 4.19Å; P261-Q264 HydrophobicContact CB-CG 4.25Å; P261-Q264 PolarHBondContact O-N 2.78Å; K262-Q264 PolarHBondContact O-N 3.06Å; Q264-Y266 VanDerWaalsContact C-N 3.28Å; Q264-Y266 PolarHBondContact O-N 3.47Å; Q264-C267 PolarHBondContact O-N 3.41Å; Q264-G268 PolarHBondContact O-N 3.25Å; Q264-G268 VanDerWaalsContact O-N 3.09Å; Q264-Y296 WeakPolarHBondContact CB-O 3.47Å; Q264-Y296 WeakPolarHBondContact CG-O 3.26Å; Q264-Y296 VanDerWaalsContact OE1-CB 3.3Å
265Y98.9Very high98.8Very high55 Ų5523.8 Ų23.822%0.21611%0.108CC..Hα-helixtrans-50.5-44.7-175.7173.4-97.7000113T176 L194 T196 K262 C267 G268 V269T176-Y265 PolarHBondContact OG1-OH 3.38Å; L194-Y265 HydrophobicContact CD2-CD2 3.73Å; L194-Y265 HydrophobicContact CD2-CE2 3.81Å; T196-Y265 HydrophobicContact CG2-CD2 3.96Å; K262-Y265 WeakPolarHBondContact O-CB 3.49Å; K262-Y265 PolarHBondContact O-N 3.31Å; Y265-C267 PolarHBondContact O-N 2.87Å; Y265-G268 PolarHBondContact O-N 3.36Å; Y265-V269 HydrophobicContact CD1-CG1 4.25Å; Y265-V269 HydrophobicContact CE1-CB 4.18Å; Y265-V269 HydrophobicContact CE1-CG1 3.88Å; Y265-V269 HydrophobicContact CE2-CB 4.32Å; Y265-V269 WeakPolarHBondContact O-CB 3.5Å; Y265-V269 WeakPolarHBondContact O-CG1 3.42Å; Y265-V269 PolarHBondContact O-N 3.21Å
266Y98.9Very high98.6Very high77 Ų7727.2 Ų27.230%0.30213%0.126SC..Hα-helixtrans-66.9-39.1-174.3-62.9-61.8000113.5Q264 V269 L270 V313 D314 E316Q264-Y266 VanDerWaalsContact C-N 3.28Å; Q264-Y266 PolarHBondContact O-N 3.47Å; Y266-V269 WeakPolarHBondContact O-CG1 3.37Å; Y266-L270 VanDerWaalsContact O-CB 3.23Å; Y266-L270 WeakPolarHBondContact O-CB 3.29Å; Y266-L270 PolarHBondContact O-N 3.23Å; Y266-L270 VanDerWaalsContact O-N 3.08Å; Y266-V313 HydrophobicContact CD2-CG1 4.32Å; Y266-V313 HydrophobicContact CG-CG1 4.38Å; Y266-D314 VanDerWaalsContact CD2-C 3.46Å; Y266-D314 WeakPolarHBondContact CE2-O 3.36Å; Y266-D314 PolarHBondContact OH-O 3.06Å; Y266-D314 VanDerWaalsContact OH-O 3.11Å; Y266-E316 HydrophobicContact CD1-CG 4.36Å
267C98.9Very high98.4Very high5 Ų526.5 Ų26.53%0.03412%0.122CC..Hα-helixtrans-66.9-40.6172-67.20000111.2Q264 Y265 Y271 E295 Y296Q264-C267 PolarHBondContact O-N 3.41Å; Y265-C267 PolarHBondContact O-N 2.87Å; C267-Y271 WeakPolarHBondContact O-CB 3.49Å; C267-Y271 PolarHBondContact O-N 2.88Å; C267-E295 CarbonylContact C-O 3.6Å; C267-Y296 VanDerWaalsContact CB-C 3.45Å; C267-Y296 VanDerWaalsContact CB-O 3.31Å; C267-Y296 WeakPolarHBondContact CB-O 3.47Å; C267-Y296 PolarHBondContact SG-O 2.93Å; C267-Y296 VanDerWaalsContact SG-O 3.4Å
268G98.9Very high98.4Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-65.2-47.3179.400000112.8L194 Q264 Y265 Y271 F272 E295L194-G268 WeakPolarHBondContact CD1-O 3.41Å; Q264-G268 PolarHBondContact O-N 3.25Å; Q264-G268 VanDerWaalsContact O-N 3.09Å; Y265-G268 PolarHBondContact O-N 3.36Å; G268-Y271 PolarHBondContact O-N 3.05Å; G268-F272 WeakPolarHBondContact O-CB 3.31Å; G268-F272 PolarHBondContact O-N 2.88Å; G268-E295 WeakPolarHBondContact CA-O 3.36Å; G268-E295 PolarHBondContact N-O 3.32Å
269V98.9Very high98.4Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-69.2-35.7179.975.70000110.9T176 L194 Y265 Y266 F272 T273 E316T176-V269 HydrophobicContact CG2-CG2 4.37Å; L194-V269 HydrophobicContact CD1-CB 4.27Å; Y265-V269 HydrophobicContact CD1-CG1 4.25Å; Y265-V269 HydrophobicContact CE1-CB 4.18Å; Y265-V269 HydrophobicContact CE1-CG1 3.88Å; Y265-V269 HydrophobicContact CE2-CB 4.32Å; Y265-V269 WeakPolarHBondContact O-CB 3.5Å; Y265-V269 WeakPolarHBondContact O-CG1 3.42Å; Y265-V269 PolarHBondContact O-N 3.21Å; Y266-V269 WeakPolarHBondContact O-CG1 3.37Å; V269-F272 PolarHBondContact O-N 3.09Å; V269-T273 WeakPolarHBondContact O-CB 3.43Å; V269-T273 PolarHBondContact O-N 3.33Å; V269-T273 PolarHBondContact O-OG1 2.93Å; V269-E316 HydrophobicContact CG1-CG 3.76Å
270L98.9Very high98.3Very high4 Ų430.1 Ų30.12%0.02114%0.14CC..Hα-helixtrans-59.4-51.6171.8176.563.8000110.8Y266 F272 T273 G274 F278 M282 I319 F320Y266-L270 VanDerWaalsContact O-CB 3.23Å; Y266-L270 WeakPolarHBondContact O-CB 3.29Å; Y266-L270 PolarHBondContact O-N 3.23Å; Y266-L270 VanDerWaalsContact O-N 3.08Å; L270-F272 PolarHBondContact O-N 3.09Å; L270-T273 PolarHBondContact O-N 3.07Å; L270-G274 PolarHBondContact O-N 3.38Å; L270-F278 HydrophobicContact CD1-CE1 4.1Å; L270-M282 HydrophobicContact CD1-CE 4.43Å; L270-M282 HydrophobicContact CD1-SD 4.04Å; L270-M282 HydrophobicContact CD2-CE 3.67Å; L270-M282 HydrophobicContact CD2-SD 3.86Å; L270-M282 HydrophobicContact CG-SD 4.34Å; L270-I319 HydrophobicContact CB-CD1 4.32Å; L270-I319 HydrophobicContact CD2-CB 4.12Å; L270-I319 HydrophobicContact CD2-CD1 3.63Å; L270-I319 HydrophobicContact CD2-CG1 4.48Å; L270-I319 HydrophobicContact CD2-CG2 3.71Å; L270-F320 HydrophobicContact CD1-CE2 3.85Å; L270-F320 HydrophobicContact CD1-CZ 4.2Å
271Y98.8Very high98.2Very high74 Ų7432 Ų3229%0.2915%0.149SC..Hα-helixtrans-56.1-51176.5159.6-102.6000111.6C267 G268 T273 G274 N279 R283 E295C267-Y271 WeakPolarHBondContact O-CB 3.49Å; C267-Y271 PolarHBondContact O-N 2.88Å; G268-Y271 PolarHBondContact O-N 3.05Å; Y271-T273 PolarHBondContact O-N 3.17Å; Y271-G274 PolarHBondContact O-N 3.11Å; Y271-N279 PolarHBondContact O-ND2 2.82Å; Y271-R283 VanDerWaalsContact CD2-NH2 3.33Å; Y271-E295 HydrophobicContact CD1-CB 3.65Å; Y271-E295 HydrophobicContact CD2-CB 4.29Å; Y271-E295 HydrophobicContact CE1-CB 4.37Å; Y271-E295 HydrophobicContact CG-CB 3.6Å
272F98.6Very high98.2Very high25 Ų2531.8 Ų31.811%0.1115%0.148CC..Hα-helixtrans-81.4-17.1-170.7-143.925.8000113C178 G179 D192 L194 D256 R258 G268 V269 L270C178-F272 HydrophobicContact CB-CB 3.9Å; C178-F272 HydrophobicContact CB-CD2 3.94Å; C178-F272 HydrophobicContact CB-CG 4.06Å; C178-F272 WeakPolarHBondContact CB-O 3.43Å; G179-F272 WeakPolarHBondContact CA-O 3.49Å; G179-F272 PolarHBondContact N-O 3.09Å; D192-F272 HydrophobicContact CB-CD1 4.4Å; D192-F272 HydrophobicContact CB-CD2 4.23Å; D192-F272 HydrophobicContact CB-CE1 3.95Å; D192-F272 HydrophobicContact CB-CE2 3.81Å; D192-F272 HydrophobicContact CB-CZ 3.64Å; D192-F272 WeakPolarHBondContact OD1-CE1 3.43Å; D192-F272 WeakPolarHBondContact OD1-CZ 3.37Å; L194-F272 HydrophobicContact CB-CD2 4.03Å; L194-F272 HydrophobicContact CD1-CB 4.42Å; D256-F272 HydrophobicContact CB-CZ 4.18Å; R258-F272 HydrophobicContact CB-CD2 4.29Å; R258-F272 HydrophobicContact CB-CE2 3.84Å; R258-F272 HydrophobicContact CB-CZ 4.23Å; G268-F272 WeakPolarHBondContact O-CB 3.31Å; G268-F272 PolarHBondContact O-N 2.88Å; V269-F272 PolarHBondContact O-N 3.09Å; L270-F272 PolarHBondContact O-N 3.09Å
273T98.8Very high98.2Very high0 Ų031.8 Ų31.80%015%0.146CC..Hα-helixtrans-69.2-40169.2-60.90000111.4R182 R183 V269 L270 Y271 P330R182-T273 HydrophobicContact CB-CG2 4.46Å; R182-T273 WeakPolarHBondContact CD-OG1 3.46Å; R182-T273 HydrophobicContact CG-CG2 4.35Å; R182-T273 PolarHBondContact NH1-OG1 3.24Å; R183-T273 WeakPolarHBondContact CD-O 3.31Å; R183-T273 HydrophobicContact CG-CG2 3.84Å; R183-T273 PolarHBondContact NH1-O 3.42Å; V269-T273 WeakPolarHBondContact O-CB 3.43Å; V269-T273 PolarHBondContact O-N 3.33Å; V269-T273 PolarHBondContact O-OG1 2.93Å; L270-T273 PolarHBondContact O-N 3.07Å; Y271-T273 PolarHBondContact O-N 3.17Å; T273-P330 HydrophobicContact CG2-CB 3.89Å; T273-P330 HydrophobicContact CG2-CG 4.44Å
274G98.1Very high98.2Very high5 Ų530.3 Ų30.35%0.05214%0.144CC..  trans62.5-152.3179.900000114.2L270 Y271 R333L270-G274 PolarHBondContact O-N 3.38Å; Y271-G274 PolarHBondContact O-N 3.11Å; G274-R333 VanDerWaalsContact O-CB 3.26Å; G274-R333 WeakPolarHBondContact O-CB 3.48Å
275S98.1Very high98.1Very high5 Ų530.5 Ų30.54%0.03515%0.145CC..  cis-66.3173.4476.40000113.7I277 F278 N279 R333 E335S275-I277 VanDerWaalsContact C-N 3.27Å; S275-I277 PolarHBondContact O-N 3.31Å; S275-I277 PolarHBondContact OG-N 3.47Å; S275-F278 WeakPolarHBondContact O-CB 3.44Å; S275-F278 PolarHBondContact O-N 3.36Å; S275-F278 PolarHBondContact OG-N 3.01Å; S275-N279 PolarHBondContact O-N 3.11Å; S275-R333 PolarHBondContact N-O 2.86Å; S275-R333 PolarHBondContact OG-O 3Å; S275-E335 WeakPolarHBondContact CB-OXT 3.48Å; S275-E335 PolarHBondContact OG-N 3.22Å; S275-E335 PolarHBondContact OG-OXT 3.48Å
276D95.4Very high98.1Very high72 Ų7227.9 Ų27.939%0.38514%0.135SC..Hα-helixtrans-65.8-31.7177.971.4-39.3000112.6R40 K280R40-D276 IonicContact CZ-OD1 3.63Å; R40-D276 IonicContact CZ-OD2 3.59Å; R40-D276 VanDerWaalsContact CZ-OD2 3.3Å; R40-D276 IonicContact NH1-OD1 3.71Å; R40-D276 IonicContact NH1-OD2 3.35Å; R40-D276 PolarHBondContact NH1-OD2 2.87Å; R40-D276 IonicContact NH2-OD1 3.6Å; R40-D276 PolarHBondContact NH2-OD1 3.01Å; R40-D276 IonicContact NH2-OD2 2.75Å; R40-D276 PolarHBondContact NH2-OD2 3.33Å; R40-D276 VanDerWaalsContact NH2-OD2 3.09Å; D276-K280 VanDerWaalsContact O-CG 3.3Å; D276-K280 WeakPolarHBondContact O-CG 3.13Å; D276-K280 PolarHBondContact O-N 3.31Å; D276-K280 VanDerWaalsContact O-N 3.13Å
277I95.6Very high98.1Very high12 Ų1228.9 Ų28.96%0.06215%0.145CC..Hα-helixtrans-70.5-43.7171.4-61.6179.5000110.4R40 S275 N279 K280 N281 E335R40-I277 HydrophobicContact CB-CD1 4.18Å; S275-I277 VanDerWaalsContact C-N 3.27Å; S275-I277 PolarHBondContact O-N 3.31Å; S275-I277 PolarHBondContact OG-N 3.47Å; I277-N279 VanDerWaalsContact C-N 3.32Å; I277-N279 PolarHBondContact O-N 3.12Å; I277-K280 PolarHBondContact O-N 2.73Å; I277-N281 PolarHBondContact O-N 3.38Å; I277-N281 PolarHBondContact O-ND2 3.02Å; I277-E335 HydrophobicContact CB-CB 4.02Å; I277-E335 HydrophobicContact CG2-CB 3.89Å
278F98.1Very high98Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-52.2-52.4173.4-178.3-103000110.9L270 S275 K280 N281 M282 F320 W325 R333 E335L270-F278 HydrophobicContact CD1-CE1 4.1Å; S275-F278 WeakPolarHBondContact O-CB 3.44Å; S275-F278 PolarHBondContact O-N 3.36Å; S275-F278 PolarHBondContact OG-N 3.01Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 2.98Å; F278-N281 PolarHBondContact O-N 3.43Å; F278-M282 HydrophobicContact CE1-CB 4.33Å; F278-M282 HydrophobicContact CE1-SD 3.58Å; F278-M282 VanDerWaalsContact CE1-SD 3.58Å; F278-M282 HydrophobicContact CZ-CB 4.47Å; F278-M282 HydrophobicContact CZ-SD 3.82Å; F278-M282 WeakPolarHBondContact O-CB 3.3Å; F278-M282 PolarHBondContact O-N 2.88Å; F278-F320 HydrophobicContact CE1-CZ 4.2Å; F278-F320 AromaticContact CZ-CE1 3.76Å; F278-F320 HydrophobicContact CZ-CE1 3.76Å; F278-F320 AromaticContact CZ-CZ 3.63Å; F278-F320 HydrophobicContact CZ-CZ 3.63Å; F278-W325 AromaticContact CE2-CZ3 3.9Å; F278-W325 HydrophobicContact CE2-CZ3 3.9Å; F278-W325 HydrophobicContact CZ-CZ3 4.04Å; F278-R333 HydrophobicContact CB-CB 4.41Å; F278-R333 HydrophobicContact CD1-CB 4.15Å; F278-R333 HydrophobicContact CD1-CG 4.29Å; F278-R333 HydrophobicContact CD2-CB 3.89Å; F278-R333 HydrophobicContact CD2-CG 4.05Å; F278-R333 HydrophobicContact CE1-CB 4.49Å; F278-R333 HydrophobicContact CE1-CG 4.12Å; F278-R333 HydrophobicContact CE2-CB 4.23Å; F278-R333 HydrophobicContact CE2-CG 3.86Å; F278-R333 HydrophobicContact CG-CB 3.86Å; F278-R333 HydrophobicContact CG-CG 4.28Å; F278-R333 HydrophobicContact CZ-CG 3.92Å; F278-E335 HydrophobicContact CB-CB 4.46Å; F278-E335 HydrophobicContact CB-CG 3.77Å; F278-E335 HydrophobicContact CD2-CG 4Å; F278-E335 HydrophobicContact CG-CG 4.38Å
279N98.6Very high98Very high19 Ų1940.2 Ų40.210%0.10220%0.196CC..Hα-helixtrans-60.7-41.8-178.6-73.3-9.6000111.8Y271 S275 I277 R283Y271-N279 PolarHBondContact O-ND2 2.82Å; S275-N279 PolarHBondContact O-N 3.11Å; I277-N279 VanDerWaalsContact C-N 3.32Å; I277-N279 PolarHBondContact O-N 3.12Å; N279-R283 VanDerWaalsContact O-CB 3.26Å; N279-R283 WeakPolarHBondContact O-CB 3.24Å; N279-R283 WeakPolarHBondContact O-CG 3.36Å; N279-R283 PolarHBondContact O-N 3.08Å
280K97.3Very high97.9Very high88 Ų8841.6 Ų41.638%0.38321%0.21SC..Hα-helixtrans-62.2-46.1176.1-76.7171.5-177.6173.60111.7N37 D276 I277 F278 A284N37-K280 PolarHBondContact OD1-NZ 3.49Å; D276-K280 VanDerWaalsContact O-CG 3.3Å; D276-K280 WeakPolarHBondContact O-CG 3.13Å; D276-K280 PolarHBondContact O-N 3.31Å; D276-K280 VanDerWaalsContact O-N 3.13Å; I277-K280 PolarHBondContact O-N 2.73Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 2.98Å; K280-A284 VanDerWaalsContact O-CB 3.3Å; K280-A284 WeakPolarHBondContact O-CB 3.4Å; K280-A284 PolarHBondContact O-N 3.25Å
281N97Very high97.9Very high39 Ų3943.1 Ų43.121%0.20922%0.217CC..Hα-helixtrans-65.6-45.8179.3-71.2-23.4000111.4I277 F278 A284 H285 E335I277-N281 PolarHBondContact O-N 3.38Å; I277-N281 PolarHBondContact O-ND2 3.02Å; F278-N281 PolarHBondContact O-N 3.43Å; N281-A284 PolarHBondContact O-N 3.14Å; N281-H285 WeakPolarHBondContact O-CB 3.5Å; N281-H285 PolarHBondContact O-N 3.07Å; N281-E335 PolarHBondContact ND2-OE2 3.48Å
282M98.6Very high97.9Very high4 Ų441.5 Ų41.52%0.0221%0.214CC..Hα-helixtrans-62.6-44.6178.5-171.3178-178.200111.9L270 F278 H285 A286 I293 I319 F320 I323 W325L270-M282 HydrophobicContact CD1-CE 4.43Å; L270-M282 HydrophobicContact CD1-SD 4.04Å; L270-M282 HydrophobicContact CD2-CE 3.67Å; L270-M282 HydrophobicContact CD2-SD 3.86Å; L270-M282 HydrophobicContact CG-SD 4.34Å; F278-M282 HydrophobicContact CE1-CB 4.33Å; F278-M282 HydrophobicContact CE1-SD 3.58Å; F278-M282 VanDerWaalsContact CE1-SD 3.58Å; F278-M282 HydrophobicContact CZ-CB 4.47Å; F278-M282 HydrophobicContact CZ-SD 3.82Å; F278-M282 WeakPolarHBondContact O-CB 3.3Å; F278-M282 PolarHBondContact O-N 2.88Å; M282-H285 PolarHBondContact O-N 3.27Å; M282-A286 WeakPolarHBondContact O-CB 3.26Å; M282-A286 PolarHBondContact O-N 3.34Å; M282-I293 HydrophobicContact CE-CD1 4.37Å; M282-I319 HydrophobicContact CE-CB 4.42Å; M282-I319 HydrophobicContact CE-CG2 3.84Å; M282-F320 HydrophobicContact CE-CD1 4.32Å; M282-F320 HydrophobicContact CE-CD2 3.83Å; M282-F320 HydrophobicContact CE-CE1 4.35Å; M282-F320 HydrophobicContact CE-CE2 3.88Å; M282-F320 HydrophobicContact CE-CG 4.08Å; M282-F320 HydrophobicContact CE-CZ 4.14Å; M282-F320 HydrophobicContact SD-CE2 4.5Å; M282-F320 HydrophobicContact SD-CZ 4.32Å; M282-I323 HydrophobicContact CE-CD1 3.61Å; M282-I323 HydrophobicContact CG-CD1 3.56Å; M282-I323 HydrophobicContact SD-CD1 4.45Å; M282-W325 HydrophobicContact CB-CH2 4.01Å; M282-W325 HydrophobicContact CB-CZ3 3.65Å; M282-W325 HydrophobicContact CG-CE3 4.09Å; M282-W325 HydrophobicContact CG-CH2 4.42Å; M282-W325 HydrophobicContact CG-CZ3 3.72Å
283R98.6Very high97.9Very high76 Ų7640.8 Ų40.829%0.28721%0.212SC..Hα-helixtrans-67.1-38.2177.4-71175.9-178.1-167.1-2.9112.2Y271 N279 A286 L287 I293Y271-R283 VanDerWaalsContact CD2-NH2 3.33Å; N279-R283 VanDerWaalsContact O-CB 3.26Å; N279-R283 WeakPolarHBondContact O-CB 3.24Å; N279-R283 WeakPolarHBondContact O-CG 3.36Å; N279-R283 PolarHBondContact O-N 3.08Å; R283-A286 WeakPolarHBondContact O-CB 3.49Å; R283-A286 PolarHBondContact O-N 2.62Å; R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.31Å; R283-L287 VanDerWaalsContact O-N 3.09Å; R283-I293 WeakPolarHBondContact CD-O 3.46Å; R283-I293 HydrophobicContact CG-CB 4.22Å; R283-I293 PolarHBondContact NE-O 3.47Å
284A97.8Very high97.9Very high46 Ų4642.5 Ų42.538%0.3822%0.221SC..Hα-helixtrans-63.8-45.2174.400000111.6K280 N281 A286 L287 E288K280-A284 VanDerWaalsContact O-CB 3.3Å; K280-A284 WeakPolarHBondContact O-CB 3.4Å; K280-A284 PolarHBondContact O-N 3.25Å; N281-A284 PolarHBondContact O-N 3.14Å; A284-A286 VanDerWaalsContact C-N 3.3Å; A284-A286 PolarHBondContact O-N 2.79Å; A284-L287 WeakPolarHBondContact O-CB 3.43Å; A284-L287 PolarHBondContact O-N 2.97Å; A284-L287 VanDerWaalsContact O-N 3.16Å; A284-E288 PolarHBondContact O-N 3.02Å; A284-E288 VanDerWaalsContact O-N 3.12Å
285H98.2Very high97.9Very high35 Ų3543.8 Ų43.816%0.16223%0.225CC..Hα-helixtrans-62.5-36.9174.6-178.987.7000112N281 M282 L287 E288 K289 I323 W325N281-H285 WeakPolarHBondContact O-CB 3.5Å; N281-H285 PolarHBondContact O-N 3.07Å; M282-H285 PolarHBondContact O-N 3.27Å; H285-L287 VanDerWaalsContact C-N 3.34Å; H285-L287 PolarHBondContact O-N 2.83Å; H285-E288 WeakPolarHBondContact O-CB 3.23Å; H285-E288 PolarHBondContact O-N 3.43Å; H285-K289 WeakPolarHBondContact O-CG 3.41Å; H285-K289 PolarHBondContact O-N 3.12Å; H285-I323 PolarHBondContact CD2-O 2.83Å; H285-I323 PolarHBondContact NE2-O 3.08Å; H285-W325 HydrophobicContact CB-CZ2 3.87Å; H285-W325 AromaticContact CD2-CD1 3.68Å; H285-W325 AromaticContact CD2-CE2 3.76Å; H285-W325 AromaticContact CD2-NE1 3.31Å; H285-W325 PolarHBondContact CD2-NE1 3.46Å; H285-W325 VanDerWaalsContact CD2-NE1 3.31Å; H285-W325 AromaticContact CE1-CD1 3.75Å; H285-W325 AromaticContact CE1-NE1 3.3Å; H285-W325 PolarHBondContact CE1-NE1 2.91Å; H285-W325 VanDerWaalsContact CE1-NE1 3.3Å; H285-W325 AromaticContact CG-CE2 3.75Å; H285-W325 AromaticContact CG-CZ2 3.91Å; H285-W325 AromaticContact CG-NE1 3.42Å; H285-W325 AromaticContact ND1-NE1 3.39Å; H285-W325 PolarHBondContact ND1-NE1 2.92Å; H285-W325 AromaticContact NE2-CD1 3.34Å; H285-W325 VanDerWaalsContact NE2-CD1 3.34Å; H285-W325 AromaticContact NE2-NE1 3.23Å; H285-W325 PolarHBondContact NE2-NE1 3.35Å
286A98.4Very high97.9Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-59-44.917300000111.6M282 R283 A284 E288 K289 G290 F291 I293 I323M282-A286 WeakPolarHBondContact O-CB 3.26Å; M282-A286 PolarHBondContact O-N 3.34Å; R283-A286 WeakPolarHBondContact O-CB 3.49Å; R283-A286 PolarHBondContact O-N 2.62Å; A284-A286 VanDerWaalsContact C-N 3.3Å; A284-A286 PolarHBondContact O-N 2.79Å; A286-E288 VanDerWaalsContact C-N 3.33Å; A286-E288 PolarHBondContact O-N 3.27Å; A286-K289 CarbonylContact O-C 3.59Å; A286-K289 WeakPolarHBondContact O-CA 3.31Å; A286-K289 PolarHBondContact O-N 3.03Å; A286-G290 PolarHBondContact O-N 3.31Å; A286-G290 VanDerWaalsContact O-N 3.09Å; A286-F291 CarbonylContact C-O 3.5Å; A286-F291 HydrophobicContact CB-CB 4.23Å; A286-F291 PolarHBondContact O-N 3.19Å; A286-I293 HydrophobicContact CB-CD1 3.58Å; A286-I293 HydrophobicContact CB-CG1 3.86Å; A286-I323 HydrophobicContact CB-CG2 3.74Å
287L98.1Very high98.1Very high98 Ų9844.3 Ų44.351%0.51322%0.223SC..Hα-helixtrans-60.6-42.4176.9-66.6171.5000111.5R283 A284 H285 K289 G290 F291 L301R283-L287 WeakPolarHBondContact O-CG 3.44Å; R283-L287 PolarHBondContact O-N 3.31Å; R283-L287 VanDerWaalsContact O-N 3.09Å; A284-L287 WeakPolarHBondContact O-CB 3.43Å; A284-L287 PolarHBondContact O-N 2.97Å; A284-L287 VanDerWaalsContact O-N 3.16Å; H285-L287 VanDerWaalsContact C-N 3.34Å; H285-L287 PolarHBondContact O-N 2.83Å; L287-K289 PolarHBondContact O-N 3.09Å; L287-G290 PolarHBondContact O-N 3.01Å; L287-F291 VanDerWaalsContact CA-O 3.23Å; L287-F291 WeakPolarHBondContact CA-O 3.42Å; L287-F291 PolarHBondContact N-O 3.31Å; L287-F291 VanDerWaalsContact N-O 3.09Å; L287-L301 HydrophobicContact CD2-CD1 3.79Å
288E97.4Very high98.2Very high159 Ų15943.8 Ų43.874%0.74322%0.22SC*.Hα-helixtrans-62.3-28.6174.6-66.8170.9-167.300112.5A284 H285 A286 G290A284-E288 PolarHBondContact O-N 3.02Å; A284-E288 VanDerWaalsContact O-N 3.12Å; H285-E288 WeakPolarHBondContact O-CB 3.23Å; H285-E288 PolarHBondContact O-N 3.43Å; A286-E288 VanDerWaalsContact C-N 3.33Å; A286-E288 PolarHBondContact O-N 3.27Å; E288-G290 VanDerWaalsContact C-N 3.35Å
289K97.9Very high98.3Very high84 Ų8447.3 Ų47.337%0.36523%0.234SC..THydrogen-bonded Turntrans-88.93.7175-66.4-68.3178.9-177.70113.9H285 A286 L287 F291H285-K289 WeakPolarHBondContact O-CG 3.41Å; H285-K289 PolarHBondContact O-N 3.12Å; A286-K289 CarbonylContact O-C 3.59Å; A286-K289 WeakPolarHBondContact O-CA 3.31Å; A286-K289 PolarHBondContact O-N 3.03Å; L287-K289 PolarHBondContact O-N 3.09Å; K289-F291 HydrophobicContact CB-CD2 3.87Å; K289-F291 HydrophobicContact CB-CE2 4.24Å; K289-F291 VanDerWaalsContact O-CD2 3.24Å; K289-F291 WeakPolarHBondContact O-CD2 3.21Å; K289-F291 VanDerWaalsContact O-CE2 3.26Å; K289-F291 WeakPolarHBondContact O-CE2 3.42Å
290G97.9Very high98.3Very high28 Ų2848.5 Ų48.529%0.28924%0.243SC..THydrogen-bonded Turntrans78.929.118000000113.9A286 L287 E288 P300 L301A286-G290 PolarHBondContact O-N 3.31Å; A286-G290 VanDerWaalsContact O-N 3.09Å; L287-G290 PolarHBondContact O-N 3.01Å; E288-G290 VanDerWaalsContact C-N 3.35Å; G290-P300 CarbonylContact O-C 3.59Å; G290-L301 PolarHBondContact O-N 2.8Å
291F98.6Very high98.2Very high37 Ų3746.7 Ų46.716%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-128.2156.3176.3-59.2-83.8000111.7A286 L287 K289 I298 R299 P300 L311 Y322 I323A286-F291 CarbonylContact C-O 3.5Å; A286-F291 HydrophobicContact CB-CB 4.23Å; A286-F291 PolarHBondContact O-N 3.19Å; L287-F291 VanDerWaalsContact CA-O 3.23Å; L287-F291 WeakPolarHBondContact CA-O 3.42Å; L287-F291 PolarHBondContact N-O 3.31Å; L287-F291 VanDerWaalsContact N-O 3.09Å; K289-F291 HydrophobicContact CB-CD2 3.87Å; K289-F291 HydrophobicContact CB-CE2 4.24Å; K289-F291 VanDerWaalsContact O-CD2 3.24Å; K289-F291 WeakPolarHBondContact O-CD2 3.21Å; K289-F291 VanDerWaalsContact O-CE2 3.26Å; K289-F291 WeakPolarHBondContact O-CE2 3.42Å; F291-I298 HydrophobicContact CB-CD1 4.13Å; F291-I298 HydrophobicContact CB-CG1 4.09Å; F291-I298 HydrophobicContact CD1-CD1 4.23Å; F291-I298 HydrophobicContact CD1-CG1 4.21Å; F291-I298 HydrophobicContact CG-CD1 4.2Å; F291-I298 HydrophobicContact CG-CG1 4.41Å; F291-R299 CarbonylContact C-O 3.57Å; F291-R299 VanDerWaalsContact CA-O 3.26Å; F291-R299 WeakPolarHBondContact CA-O 3.4Å; F291-P300 HydrophobicContact CD1-CB 4.32Å; F291-P300 HydrophobicContact CE1-CB 4.3Å; F291-L311 HydrophobicContact CD1-CD1 3.73Å; F291-L311 HydrophobicContact CE1-CD1 3.53Å; F291-Y322 HydrophobicContact CE1-CD1 4.44Å; F291-Y322 VanDerWaalsContact CE2-O 3.3Å; F291-Y322 WeakPolarHBondContact CE2-O 3.31Å; F291-I323 HydrophobicContact CD2-CG2 4.32Å
292T98.6Very high97.8Very high40 Ų4046.8 Ų46.825%0.24525%0.247CC..EExtended strand (participates in β ladder)trans-122.6133.5167.4-176.80000109.8I298 R299 L301 A307T292-I298 WeakPolarHBondContact O-CA 3.36Å; T292-R299 HydrophobicContact CG2-CB 3.93Å; T292-R299 PolarHBondContact N-O 3.27Å; T292-R299 PolarHBondContact O-N 3.4Å; T292-L301 HydrophobicContact CG2-CD2 3.97Å; T292-A307 HydrophobicContact CG2-CB 3.79Å
293I98.8Very high97.4Very high10 Ų1054.2 Ų54.25%0.05129%0.293CS..EExtended strand (participates in β ladder)trans-120.2128.8-178.1-57.2171.4000108.9M282 R283 A286 I298 I319 I323M282-I293 HydrophobicContact CE-CD1 4.37Å; R283-I293 WeakPolarHBondContact CD-O 3.46Å; R283-I293 HydrophobicContact CG-CB 4.22Å; R283-I293 PolarHBondContact NE-O 3.47Å; A286-I293 HydrophobicContact CB-CD1 3.58Å; A286-I293 HydrophobicContact CB-CG1 3.86Å; I293-I298 HydrophobicContact CD1-CD1 4Å; I293-I298 HydrophobicContact CD1-CG1 4.44Å; I293-I298 HydrophobicContact CG1-CB 4Å; I293-I298 HydrophobicContact CG1-CD1 3.83Å; I293-I298 HydrophobicContact CG1-CG1 3.71Å; I293-I319 HydrophobicContact CD1-CG2 3.81Å; I293-I319 HydrophobicContact CG1-CG2 4.47Å; I293-I319 HydrophobicContact CG2-CG2 4.48Å; I293-I323 HydrophobicContact CD1-CG2 4.04Å
294N98.5Very high97Very high35 Ų3556 Ų5619%0.18731%0.312CS..  trans-125.3-169.716667.816.8000110.4Y296 T297 R299N294-Y296 PolarHBondContact O-N 3.16Å; N294-Y296 WeakPolarHBondContact OD1-CA 3.38Å; N294-Y296 WeakPolarHBondContact OD1-CB 3.39Å; N294-Y296 PolarHBondContact OD1-N 3.09Å; N294-T297 PolarHBondContact N-O 2.78Å; N294-T297 PolarHBondContact OD1-N 3.09Å; N294-T297 PolarHBondContact OD1-O 3.42Å; N294-R299 PolarHBondContact ND2-NH2 3.48Å
295E98.4Very high96.6Very high33 Ų3356.2 Ų56.215%0.15432%0.319CS..SBendtrans-72.2-1178.966.3-97.7-12700114.6R258 I260 C267 G268 Y271R258-E295 IonicContact CZ-OE1 2.78Å; R258-E295 IonicContact NH1-OE1 2.64Å; R258-E295 PolarHBondContact NH1-OE1 3.02Å; R258-E295 IonicContact NH2-OE1 2.71Å; R258-E295 PolarHBondContact NH2-OE1 3.13Å; I260-E295 HydrophobicContact CD1-CG 4.23Å; C267-E295 CarbonylContact C-O 3.6Å; G268-E295 WeakPolarHBondContact CA-O 3.36Å; G268-E295 PolarHBondContact N-O 3.32Å; Y271-E295 HydrophobicContact CD1-CB 3.65Å; Y271-E295 HydrophobicContact CD2-CB 4.29Å; Y271-E295 HydrophobicContact CE1-CB 4.37Å; Y271-E295 HydrophobicContact CG-CB 3.6Å
296Y98.6Very high96.4Very high73 Ų7359.3 Ų59.329%0.28634%0.34SS..SBendtrans-114.9-49.2-175.2-55.6-60.4000111R258 I260 Q264 C267 N294R258-Y296 PolarHBondContact NH2-OH 2.77Å; I260-Y296 HydrophobicContact CD1-CD1 4.33Å; I260-Y296 HydrophobicContact CD1-CE1 3.86Å; Q264-Y296 WeakPolarHBondContact CB-O 3.47Å; Q264-Y296 WeakPolarHBondContact CG-O 3.26Å; Q264-Y296 VanDerWaalsContact OE1-CB 3.3Å; C267-Y296 VanDerWaalsContact CB-C 3.45Å; C267-Y296 VanDerWaalsContact CB-O 3.31Å; C267-Y296 WeakPolarHBondContact CB-O 3.47Å; C267-Y296 PolarHBondContact SG-O 2.93Å; C267-Y296 VanDerWaalsContact SG-O 3.4Å; N294-Y296 PolarHBondContact O-N 3.16Å; N294-Y296 WeakPolarHBondContact OD1-CA 3.38Å; N294-Y296 WeakPolarHBondContact OD1-CB 3.39Å; N294-Y296 PolarHBondContact OD1-N 3.09Å
297T98.8Very high96.3Very high15 Ų1561.1 Ų61.19%0.09236%0.355CS..  trans-146157.2-170.461.30000112.5N294 R299 P310N294-T297 PolarHBondContact N-O 2.78Å; N294-T297 PolarHBondContact OD1-N 3.09Å; N294-T297 PolarHBondContact OD1-O 3.42Å; T297-R299 PolarHBondContact OG1-NE 3.34Å; T297-R299 VanDerWaalsContact OG1-NE 3.08Å; T297-P310 HydrophobicContact CG2-CB 3.72Å; T297-P310 HydrophobicContact CG2-CG 3.83Å
298I98.8Very high96.3Very high0 Ų057.9 Ų57.90%035%0.345CS..EExtended strand (participates in β ladder)trans-103.6130.9156.6-179.4172.2000108.2F291 T292 I293 L311 V313 I319 Y322 I323F291-I298 HydrophobicContact CB-CD1 4.13Å; F291-I298 HydrophobicContact CB-CG1 4.09Å; F291-I298 HydrophobicContact CD1-CD1 4.23Å; F291-I298 HydrophobicContact CD1-CG1 4.21Å; F291-I298 HydrophobicContact CG-CD1 4.2Å; F291-I298 HydrophobicContact CG-CG1 4.41Å; T292-I298 WeakPolarHBondContact O-CA 3.36Å; I293-I298 HydrophobicContact CD1-CD1 4Å; I293-I298 HydrophobicContact CD1-CG1 4.44Å; I293-I298 HydrophobicContact CG1-CB 4Å; I293-I298 HydrophobicContact CG1-CD1 3.83Å; I293-I298 HydrophobicContact CG1-CG1 3.71Å; I298-L311 HydrophobicContact CG1-CD1 4.34Å; I298-L311 HydrophobicContact CG2-CB 4.18Å; I298-L311 HydrophobicContact CG2-CD1 4.43Å; I298-L311 PolarHBondContact O-N 2.93Å; I298-V313 HydrophobicContact CG2-CG2 3.65Å; I298-I319 HydrophobicContact CD1-CG2 4.29Å; I298-Y322 HydrophobicContact CD1-CD2 4.1Å; I298-Y322 HydrophobicContact CD1-CG 4.1Å; I298-Y322 HydrophobicContact CG2-CD2 4.08Å; I298-Y322 HydrophobicContact CG2-CE2 4.34Å; I298-I323 HydrophobicContact CD1-CG2 4.11Å
299R98.8Very high96.3Very high74 Ų7457.8 Ų57.828%0.27934%0.344SS..EExtended strand (participates in β ladder)trans-129.5140.9-177-72.9178-87.2172-2.2110.4F291 T292 N294 T297 A307 G308 P310F291-R299 CarbonylContact C-O 3.57Å; F291-R299 VanDerWaalsContact CA-O 3.26Å; F291-R299 WeakPolarHBondContact CA-O 3.4Å; T292-R299 HydrophobicContact CG2-CB 3.93Å; T292-R299 PolarHBondContact N-O 3.27Å; T292-R299 PolarHBondContact O-N 3.4Å; N294-R299 PolarHBondContact ND2-NH2 3.48Å; T297-R299 PolarHBondContact OG1-NE 3.34Å; T297-R299 VanDerWaalsContact OG1-NE 3.08Å; R299-A307 HydrophobicContact CB-CB 4.2Å; R299-G308 WeakPolarHBondContact CD-O 3.38Å; R299-G308 WeakPolarHBondContact CG-O 3.37Å; R299-P310 HydrophobicContact CG-CG 4.5Å
300P98.2Very high96.4Very high44 Ų4457 Ų5729%0.28635%0.348SS..EExtended strand (participates in β ladder)trans-70.3149.917232.5-33000109.8G290 F291 A307 G308 E309 L311G290-P300 CarbonylContact O-C 3.59Å; F291-P300 HydrophobicContact CD1-CB 4.32Å; F291-P300 HydrophobicContact CE1-CB 4.3Å; P300-A307 WeakPolarHBondContact O-CA 3.26Å; P300-G308 PolarHBondContact O-N 3.35Å; P300-E309 WeakPolarHBondContact CD-O 3.41Å; P300-L311 HydrophobicContact CG-CD2 4.42Å
301L96.9Very high96.4Very high50 Ų5057.8 Ų57.826%0.26235%0.345SS..BIsolated β-bridgetrans-96.7120.1169.8-65.2176.5000108.4L287 G290 T292 A307L287-L301 HydrophobicContact CD2-CD1 3.79Å; G290-L301 PolarHBondContact O-N 2.8Å; T292-L301 HydrophobicContact CG2-CD2 3.97Å; L301-A307 HydrophobicContact CD2-CB 4.32Å
302G88.6Confident96.4Very high41 Ų4160.8 Ų60.842%0.42337%0.369SS..PPolyproline II helixtrans-67.2173.8173.100000111.9T304 G305 V306G302-T304 PolarHBondContact O-N 3.23Å; G302-G305 PolarHBondContact O-N 3.27Å; G302-V306 PolarHBondContact N-O 3.19Å
303V89.3Confident96.4Very high161 Ų16160.4 Ų60.498%0.97637%0.366SS*.THydrogen-bonded Turntrans-55.6-24.5178.3-62.60000113.6
304T89.6Confident96.3Very high113 Ų11365.9 Ų65.969%0.69340%0.395SS*.THydrogen-bonded Turntrans-84.5-7.1178.358.10000113.8G302 V306G302-T304 PolarHBondContact O-N 3.23Å; T304-V306 VanDerWaalsContact C-N 3.28Å; T304-V306 WeakPolarHBondContact OG1-CG2 3.44Å; T304-V306 PolarHBondContact OG1-N 3.06Å
305G89.8Confident96.4Very high51 Ų5165.7 Ų65.753%0.52640%0.397SS..SBendtrans79.74.8-17200000114.5G302G302-G305 PolarHBondContact O-N 3.27Å
306V94.4Very high96.4Very high100 Ų10064.8 Ų64.861%0.60639%0.393SS*.  trans-80.2135.9174.4-179.50000109.7G302 T304 G308G302-V306 PolarHBondContact N-O 3.19Å; T304-V306 VanDerWaalsContact C-N 3.28Å; T304-V306 WeakPolarHBondContact OG1-CG2 3.44Å; T304-V306 PolarHBondContact OG1-N 3.06Å; V306-G308 PolarHBondContact O-N 3.34Å
307A96.8Very high96.4Very high38 Ų3865.8 Ų65.831%0.31440%0.398SS..BIsolated β-bridgetrans-69.2125.2175.900000110.5T292 R299 P300 L301T292-A307 HydrophobicContact CG2-CB 3.79Å; R299-A307 HydrophobicContact CB-CB 4.2Å; P300-A307 WeakPolarHBondContact O-CA 3.26Å; L301-A307 HydrophobicContact CD2-CB 4.32Å
308G97.6Very high96.4Very high29 Ų2967.2 Ų67.230%0.29941%0.405SS..  trans-79.3-161.2172.700000112.8R299 P300 V306R299-G308 WeakPolarHBondContact CD-O 3.38Å; R299-G308 WeakPolarHBondContact CG-O 3.37Å; P300-G308 PolarHBondContact O-N 3.35Å; V306-G308 PolarHBondContact O-N 3.34Å
309E97.9Very high96.4Very high158 Ų15867.2 Ų67.274%0.73841%0.405SS*.SBendtrans-68.4152.5-178.6-65.1-51.7126.100113.2P300 L311P300-E309 WeakPolarHBondContact CD-O 3.41Å; E309-L311 PolarHBondContact O-N 3.23Å
310P98.6Very high96.4Very high68 Ų6863.7 Ų63.744%0.44239%0.392SS..PPolyproline II helixtrans-55.4131.8173.1-25.836.6000112.5T297 R299T297-P310 HydrophobicContact CG2-CB 3.72Å; T297-P310 HydrophobicContact CG2-CG 3.83Å; R299-P310 HydrophobicContact CG-CG 4.5Å
311L98.4Very high96.4Very high44 Ų4465.1 Ų65.123%0.2340%0.398CS..PPolyproline II helixtrans-79.7150.1171.6-59.4168.2000110.1F291 I298 P300 E309 V313 Y322F291-L311 HydrophobicContact CD1-CD1 3.73Å; F291-L311 HydrophobicContact CE1-CD1 3.53Å; I298-L311 HydrophobicContact CG1-CD1 4.34Å; I298-L311 HydrophobicContact CG2-CB 4.18Å; I298-L311 HydrophobicContact CG2-CD1 4.43Å; I298-L311 PolarHBondContact O-N 2.93Å; P300-L311 HydrophobicContact CG-CD2 4.42Å; E309-L311 PolarHBondContact O-N 3.23Å; L311-V313 PolarHBondContact O-N 3.09Å; L311-Y322 HydrophobicContact CB-CE1 4.34Å; L311-Y322 HydrophobicContact CB-CE2 4Å; L311-Y322 HydrophobicContact CD1-CD1 3.92Å; L311-Y322 HydrophobicContact CD1-CD2 4.44Å; L311-Y322 HydrophobicContact CD1-CE1 3.87Å; L311-Y322 HydrophobicContact CD1-CE2 4.37Å; L311-Y322 HydrophobicContact CD1-CG 4.24Å
312P98.4Very high96.5Very high100 Ų10066.1 Ų66.165%0.64940%0.398SS*.PPolyproline II helixtrans-64.6134.2176.127.1-33.8000110.7Y322P312-Y322 WeakPolarHBondContact O-CE2 3.46Å; P312-Y322 PolarHBondContact O-OH 2.92Å; P312-Y322 VanDerWaalsContact O-OH 3.09Å
313V98.8Very high97Very high31 Ų3164.1 Ų64.119%0.18838%0.378CS..  trans-137.6117.6178.2177.50000108.2Y266 I298 L311 S315 D318 I319 Y322Y266-V313 HydrophobicContact CD2-CG1 4.32Å; Y266-V313 HydrophobicContact CG-CG1 4.38Å; I298-V313 HydrophobicContact CG2-CG2 3.65Å; L311-V313 PolarHBondContact O-N 3.09Å; V313-S315 VanDerWaalsContact CG1-O 3.28Å; V313-S315 WeakPolarHBondContact CG1-O 3.43Å; V313-D318 HydrophobicContact CG1-CB 4.45Å; V313-I319 HydrophobicContact CG1-CD1 3.98Å; V313-I319 HydrophobicContact CG1-CG1 3.64Å; V313-I319 HydrophobicContact CG2-CG1 4.17Å; V313-Y322 HydrophobicContact CG2-CE2 4.45Å
314D98.3Very high97.4Very high125 Ų12563.2 Ų63.267%0.66836%0.363SS*.SBendtrans-120.65.4177-162.235000112.5Y266 D318Y266-D314 VanDerWaalsContact CD2-C 3.46Å; Y266-D314 WeakPolarHBondContact CE2-O 3.36Å; Y266-D314 PolarHBondContact OH-O 3.06Å; Y266-D314 VanDerWaalsContact OH-O 3.11Å; D314-D318 WeakPolarHBondContact CA-OD2 3.41Å; D314-D318 PolarHBondContact N-OD2 2.9Å
315S98.8Very high97.8Very high32 Ų3260.7 Ų60.722%0.22434%0.341CS..SBendtrans-154.2161.6169.480.10000112V313 K317 D318V313-S315 VanDerWaalsContact CG1-O 3.28Å; V313-S315 WeakPolarHBondContact CG1-O 3.43Å; S315-K317 PolarHBondContact O-N 3.49Å; S315-K317 WeakPolarHBondContact OG-CB 3.25Å; S315-K317 PolarHBondContact OG-N 2.78Å; S315-K317 VanDerWaalsContact OG-N 3.12Å; S315-D318 PolarHBondContact N-OD2 2.95Å; S315-D318 PolarHBondContact O-N 3.5Å; S315-D318 PolarHBondContact OG-N 3.35Å; S315-D318 VanDerWaalsContact OG-N 3.08Å; S315-D318 PolarHBondContact OG-OD1 3.35Å
316E98.8Very high98.3Very high14 Ų1467.4 Ų67.47%0.06536%0.355CS..Hα-helixtrans-57.6-33.3167.1-73-176.3-120.200111.2R182 Y266 V269 I319 F320 Y327 R333R182-E316 IonicContact CZ-OE1 3.17Å; R182-E316 VanDerWaalsContact CZ-OE1 3.22Å; R182-E316 IonicContact NH1-OE1 2.71Å; R182-E316 PolarHBondContact NH1-OE1 2.74Å; R182-E316 IonicContact NH1-OE2 3.87Å; R182-E316 IonicContact NH2-OE1 3.45Å; R182-E316 PolarHBondContact NH2-OE1 3.21Å; Y266-E316 HydrophobicContact CD1-CG 4.36Å; V269-E316 HydrophobicContact CG1-CG 3.76Å; E316-I319 PolarHBondContact O-N 3.11Å; E316-F320 VanDerWaalsContact O-CD2 3.23Å; E316-F320 WeakPolarHBondContact O-CD2 3.21Å; E316-Y327 HydrophobicContact CB-CE2 3.93Å; E316-R333 IonicContact OE2-CZ 3.54Å; E316-R333 VanDerWaalsContact OE2-CZ 3.25Å; E316-R333 IonicContact OE2-NH1 3.95Å; E316-R333 PolarHBondContact OE2-NH1 2.87Å; E316-R333 IonicContact OE2-NH2 2.71Å; E316-R333 PolarHBondContact OE2-NH2 2.99Å
317K98.8Very high98.5Very high93 Ų9366 Ų6640%0.40434%0.34SS..Hα-helixtrans-67.4-35.1-176.1178180-179.9-52.80112.5S315 I319 F320 D321 Y327S315-K317 PolarHBondContact O-N 3.49Å; S315-K317 WeakPolarHBondContact OG-CB 3.25Å; S315-K317 PolarHBondContact OG-N 2.78Å; S315-K317 VanDerWaalsContact OG-N 3.12Å; K317-I319 PolarHBondContact O-N 2.84Å; K317-F320 WeakPolarHBondContact O-CA 3.07Å; K317-F320 WeakPolarHBondContact O-CB 3.47Å; K317-F320 PolarHBondContact O-N 3.35Å; K317-D321 IonicContact NZ-OD1 3.45Å; K317-D321 PolarHBondContact NZ-OD1 2.98Å; K317-D321 IonicContact NZ-OD2 3.14Å; K317-D321 PolarHBondContact NZ-OD2 3.4Å; K317-D321 PolarHBondContact O-N 2.97Å; K317-Y327 HydrophobicContact CB-CD2 3.8Å; K317-Y327 HydrophobicContact CB-CE2 4.21Å; K317-Y327 HydrophobicContact CB-CG 4.29Å; K317-Y327 HydrophobicContact CG-CD2 4.2Å; K317-Y327 HydrophobicContact CG-CG 4.33Å
318D98.8Very high98.5Very high45 Ų4567.4 Ų67.424%0.24134%0.337CS..Hα-helixtrans-57.4-38.7179.4-56.5-9.7000111V313 D314 S315 F320 D321 Y322V313-D318 HydrophobicContact CG1-CB 4.45Å; D314-D318 WeakPolarHBondContact CA-OD2 3.41Å; D314-D318 PolarHBondContact N-OD2 2.9Å; S315-D318 PolarHBondContact N-OD2 2.95Å; S315-D318 PolarHBondContact O-N 3.5Å; S315-D318 PolarHBondContact OG-N 3.35Å; S315-D318 VanDerWaalsContact OG-N 3.08Å; S315-D318 PolarHBondContact OG-OD1 3.35Å; D318-F320 VanDerWaalsContact C-N 3.29Å; D318-F320 PolarHBondContact O-N 2.76Å; D318-D321 PolarHBondContact O-N 2.77Å; D318-D321 VanDerWaalsContact O-N 3.15Å; D318-Y322 WeakPolarHBondContact O-CD2 3.47Å; D318-Y322 PolarHBondContact O-N 2.94Å
319I98.9Very high98.6Very high0 Ų070.5 Ų70.50%034%0.344CS..Hα-helixtrans-62.9-37.4177.6-47.4171000111L270 M282 I293 I298 V313 E316 K317L270-I319 HydrophobicContact CB-CD1 4.32Å; L270-I319 HydrophobicContact CD2-CB 4.12Å; L270-I319 HydrophobicContact CD2-CD1 3.63Å; L270-I319 HydrophobicContact CD2-CG1 4.48Å; L270-I319 HydrophobicContact CD2-CG2 3.71Å; M282-I319 HydrophobicContact CE-CB 4.42Å; M282-I319 HydrophobicContact CE-CG2 3.84Å; I293-I319 HydrophobicContact CD1-CG2 3.81Å; I293-I319 HydrophobicContact CG1-CG2 4.47Å; I293-I319 HydrophobicContact CG2-CG2 4.48Å; I298-I319 HydrophobicContact CD1-CG2 4.29Å; V313-I319 HydrophobicContact CG1-CD1 3.98Å; V313-I319 HydrophobicContact CG1-CG1 3.64Å; V313-I319 HydrophobicContact CG2-CG1 4.17Å; E316-I319 PolarHBondContact O-N 3.11Å; K317-I319 PolarHBondContact O-N 2.84Å
320F98.8Very high98.6Very high0 Ų063.7 Ų63.70%031%0.313CS..Hα-helixtrans-70.8-39.9174.4-73.7-109000111.4L270 F278 M282 E316 K317 D318 I323 Q324 W325 K326 Y327 R328L270-F320 HydrophobicContact CD1-CE2 3.85Å; L270-F320 HydrophobicContact CD1-CZ 4.2Å; F278-F320 HydrophobicContact CE1-CZ 4.2Å; F278-F320 AromaticContact CZ-CE1 3.76Å; F278-F320 HydrophobicContact CZ-CE1 3.76Å; F278-F320 AromaticContact CZ-CZ 3.63Å; F278-F320 HydrophobicContact CZ-CZ 3.63Å; M282-F320 HydrophobicContact CE-CD1 4.32Å; M282-F320 HydrophobicContact CE-CD2 3.83Å; M282-F320 HydrophobicContact CE-CE1 4.35Å; M282-F320 HydrophobicContact CE-CE2 3.88Å; M282-F320 HydrophobicContact CE-CG 4.08Å; M282-F320 HydrophobicContact CE-CZ 4.14Å; M282-F320 HydrophobicContact SD-CE2 4.5Å; M282-F320 HydrophobicContact SD-CZ 4.32Å; E316-F320 VanDerWaalsContact O-CD2 3.23Å; E316-F320 WeakPolarHBondContact O-CD2 3.21Å; K317-F320 WeakPolarHBondContact O-CA 3.07Å; K317-F320 WeakPolarHBondContact O-CB 3.47Å; K317-F320 PolarHBondContact O-N 3.35Å; D318-F320 VanDerWaalsContact C-N 3.29Å; D318-F320 PolarHBondContact O-N 2.76Å; F320-I323 WeakPolarHBondContact O-CG1 3.19Å; F320-I323 PolarHBondContact O-N 3.09Å; F320-Q324 PolarHBondContact O-N 3.26Å; F320-Q324 VanDerWaalsContact O-N 3.15Å; F320-W325 CarbonylContact C-O 3.45Å; F320-W325 HydrophobicContact CB-CB 4.35Å; F320-W325 HydrophobicContact CD1-CB 3.98Å; F320-W325 HydrophobicContact CD1-CE3 4.19Å; F320-W325 HydrophobicContact CE1-CE3 4.2Å; F320-W325 PolarHBondContact O-N 2.89Å; F320-K326 WeakPolarHBondContact CD1-O 3.3Å; F320-Y327 AromaticContact CD2-CD2 3.81Å; F320-Y327 HydrophobicContact CD2-CD2 3.81Å; F320-Y327 HydrophobicContact CD2-CE2 4.19Å; F320-Y327 AromaticContact CE2-CD2 3.98Å; F320-Y327 HydrophobicContact CE2-CD2 3.98Å; F320-Y327 HydrophobicContact CE2-CE2 4.01Å; F320-Y327 HydrophobicContact CG-CD2 4.13Å; F320-Y327 HydrophobicContact CZ-CD2 4.45Å; F320-R328 HydrophobicContact CE1-CB 4.07Å; F320-R328 HydrophobicContact CE1-CG 4.48Å
321D98.8Very high98.6Very high75 Ų7567 Ų6740%0.40132%0.321SS..Hα-helixtrans-63-44.1-179.7-68.1-20.8000111.1K317 D318 I323 Q324K317-D321 IonicContact NZ-OD1 3.45Å; K317-D321 PolarHBondContact NZ-OD1 2.98Å; K317-D321 IonicContact NZ-OD2 3.14Å; K317-D321 PolarHBondContact NZ-OD2 3.4Å; K317-D321 PolarHBondContact O-N 2.97Å; D318-D321 PolarHBondContact O-N 2.77Å; D318-D321 VanDerWaalsContact O-N 3.15Å; D321-I323 VanDerWaalsContact C-N 3.28Å; D321-I323 PolarHBondContact O-N 3.48Å; D321-Q324 PolarHBondContact O-N 3.42Å
322Y98.8Very high98.5Very high70 Ų7068.9 Ų68.928%0.27533%0.331SS..Hα-helixtrans-54.8-42.2176.3-80.1-58.9000113F291 I298 L311 P312 V313 D318 Q324F291-Y322 HydrophobicContact CE1-CD1 4.44Å; F291-Y322 VanDerWaalsContact CE2-O 3.3Å; F291-Y322 WeakPolarHBondContact CE2-O 3.31Å; I298-Y322 HydrophobicContact CD1-CD2 4.1Å; I298-Y322 HydrophobicContact CD1-CG 4.1Å; I298-Y322 HydrophobicContact CG2-CD2 4.08Å; I298-Y322 HydrophobicContact CG2-CE2 4.34Å; L311-Y322 HydrophobicContact CB-CE1 4.34Å; L311-Y322 HydrophobicContact CB-CE2 4Å; L311-Y322 HydrophobicContact CD1-CD1 3.92Å; L311-Y322 HydrophobicContact CD1-CD2 4.44Å; L311-Y322 HydrophobicContact CD1-CE1 3.87Å; L311-Y322 HydrophobicContact CD1-CE2 4.37Å; L311-Y322 HydrophobicContact CD1-CG 4.24Å; P312-Y322 WeakPolarHBondContact O-CE2 3.46Å; P312-Y322 PolarHBondContact O-OH 2.92Å; P312-Y322 VanDerWaalsContact O-OH 3.09Å; V313-Y322 HydrophobicContact CG2-CE2 4.45Å; D318-Y322 WeakPolarHBondContact O-CD2 3.47Å; D318-Y322 PolarHBondContact O-N 2.94Å; Y322-Q324 VanDerWaalsContact C-N 3.27Å; Y322-Q324 PolarHBondContact O-N 2.84Å
323I98.6Very high98.5Very high0 Ų064.1 Ų64.10%030%0.3CS..THydrogen-bonded Turntrans-89.68.5-179.371.1177.2000112.8M282 H285 A286 F291 I293 I298 F320 D321 W325M282-I323 HydrophobicContact CE-CD1 3.61Å; M282-I323 HydrophobicContact CG-CD1 3.56Å; M282-I323 HydrophobicContact SD-CD1 4.45Å; H285-I323 PolarHBondContact CD2-O 2.83Å; H285-I323 PolarHBondContact NE2-O 3.08Å; A286-I323 HydrophobicContact CB-CG2 3.74Å; F291-I323 HydrophobicContact CD2-CG2 4.32Å; I293-I323 HydrophobicContact CD1-CG2 4.04Å; I298-I323 HydrophobicContact CD1-CG2 4.11Å; F320-I323 WeakPolarHBondContact O-CG1 3.19Å; F320-I323 PolarHBondContact O-N 3.09Å; D321-I323 VanDerWaalsContact C-N 3.28Å; D321-I323 PolarHBondContact O-N 3.48Å; I323-W325 VanDerWaalsContact C-N 3.29Å; I323-W325 HydrophobicContact CD1-CB 4.4Å; I323-W325 HydrophobicContact CD1-CD2 4.09Å; I323-W325 HydrophobicContact CD1-CE3 4.08Å; I323-W325 HydrophobicContact CD1-CG 4.23Å; I323-W325 HydrophobicContact CG1-CB 4.11Å; I323-W325 HydrophobicContact CG1-CG 4.23Å; I323-W325 PolarHBondContact O-N 3.03Å
324Q98.5Very high98.3Very high141 Ų14165.6 Ų65.666%0.65931%0.312SS*.THydrogen-bonded Turntrans58.838.7179-53.8169.3-0.200112.8F320 D321 Y322F320-Q324 PolarHBondContact O-N 3.26Å; F320-Q324 VanDerWaalsContact O-N 3.15Å; D321-Q324 PolarHBondContact O-N 3.42Å; Y322-Q324 VanDerWaalsContact C-N 3.27Å; Y322-Q324 PolarHBondContact O-N 2.84Å
325W98.3Very high98Very high61 Ų6161.6 Ų61.623%0.23129%0.289CS..PPolyproline II helixtrans-102.2142.6168.3-88.811.2000110.4F278 M282 H285 F320 I323F278-W325 AromaticContact CE2-CZ3 3.9Å; F278-W325 HydrophobicContact CE2-CZ3 3.9Å; F278-W325 HydrophobicContact CZ-CZ3 4.04Å; M282-W325 HydrophobicContact CB-CH2 4.01Å; M282-W325 HydrophobicContact CB-CZ3 3.65Å; M282-W325 HydrophobicContact CG-CE3 4.09Å; M282-W325 HydrophobicContact CG-CH2 4.42Å; M282-W325 HydrophobicContact CG-CZ3 3.72Å; H285-W325 HydrophobicContact CB-CZ2 3.87Å; H285-W325 AromaticContact CD2-CD1 3.68Å; H285-W325 AromaticContact CD2-CE2 3.76Å; H285-W325 AromaticContact CD2-NE1 3.31Å; H285-W325 PolarHBondContact CD2-NE1 3.46Å; H285-W325 VanDerWaalsContact CD2-NE1 3.31Å; H285-W325 AromaticContact CE1-CD1 3.75Å; H285-W325 AromaticContact CE1-NE1 3.3Å; H285-W325 PolarHBondContact CE1-NE1 2.91Å; H285-W325 VanDerWaalsContact CE1-NE1 3.3Å; H285-W325 AromaticContact CG-CE2 3.75Å; H285-W325 AromaticContact CG-CZ2 3.91Å; H285-W325 AromaticContact CG-NE1 3.42Å; H285-W325 AromaticContact ND1-NE1 3.39Å; H285-W325 PolarHBondContact ND1-NE1 2.92Å; H285-W325 AromaticContact NE2-CD1 3.34Å; H285-W325 VanDerWaalsContact NE2-CD1 3.34Å; H285-W325 AromaticContact NE2-NE1 3.23Å; H285-W325 PolarHBondContact NE2-NE1 3.35Å; F320-W325 CarbonylContact C-O 3.45Å; F320-W325 HydrophobicContact CB-CB 4.35Å; F320-W325 HydrophobicContact CD1-CB 3.98Å; F320-W325 HydrophobicContact CD1-CE3 4.19Å; F320-W325 HydrophobicContact CE1-CE3 4.2Å; F320-W325 PolarHBondContact O-N 2.89Å; I323-W325 VanDerWaalsContact C-N 3.29Å; I323-W325 HydrophobicContact CD1-CB 4.4Å; I323-W325 HydrophobicContact CD1-CD2 4.09Å; I323-W325 HydrophobicContact CD1-CE3 4.08Å; I323-W325 HydrophobicContact CD1-CG 4.23Å; I323-W325 HydrophobicContact CG1-CB 4.11Å; I323-W325 HydrophobicContact CG1-CG 4.23Å; I323-W325 PolarHBondContact O-N 3.03Å
326K98.5Very high98Very high191 Ų19163.1 Ų63.183%0.8329%0.292SS*.PPolyproline II helixtrans-65.4140.6163.8-68.3-173.8179.2-177.80108.7F320 R328F320-K326 WeakPolarHBondContact CD1-O 3.3Å; K326-R328 PolarHBondContact O-N 3.19Å
327Y98.6Very high97.9Very high72 Ų7265.6 Ų65.628%0.28230%0.304SS..PPolyproline II helixtrans-55.8137.3175.2-172.9-111.8000110.8E316 K317 F320 E329 R333E316-Y327 HydrophobicContact CB-CE2 3.93Å; K317-Y327 HydrophobicContact CB-CD2 3.8Å; K317-Y327 HydrophobicContact CB-CE2 4.21Å; K317-Y327 HydrophobicContact CB-CG 4.29Å; K317-Y327 HydrophobicContact CG-CD2 4.2Å; K317-Y327 HydrophobicContact CG-CG 4.33Å; F320-Y327 AromaticContact CD2-CD2 3.81Å; F320-Y327 HydrophobicContact CD2-CD2 3.81Å; F320-Y327 HydrophobicContact CD2-CE2 4.19Å; F320-Y327 AromaticContact CE2-CD2 3.98Å; F320-Y327 HydrophobicContact CE2-CD2 3.98Å; F320-Y327 HydrophobicContact CE2-CE2 4.01Å; F320-Y327 HydrophobicContact CG-CD2 4.13Å; F320-Y327 HydrophobicContact CZ-CD2 4.45Å; Y327-E329 HydrophobicContact CE1-CG 4.44Å; Y327-E329 WeakPolarHBondContact CE1-OE1 3.47Å; Y327-R333 PolarHBondContact OH-NH2 2.84Å
328R98.4Very high97.9Very high67 Ų6764.1 Ų64.125%0.25330%0.298SS..  trans-120125.3173.8-69.4170.363.8-172.70.3107.7F320 K326 D332 R333 E335F320-R328 HydrophobicContact CE1-CB 4.07Å; F320-R328 HydrophobicContact CE1-CG 4.48Å; K326-R328 PolarHBondContact O-N 3.19Å; R328-D332 HydrophobicContact CB-CB 4.46Å; R328-D332 PolarHBondContact NE-O 3.1Å; R328-D332 PolarHBondContact NH2-O 2.97Å; R328-R333 HydrophobicContact CB-CG 4.38Å; R328-R333 VanDerWaalsContact O-CZ 3.22Å; R328-R333 PolarHBondContact O-NE 3.15Å; R328-R333 PolarHBondContact O-NH2 3.29Å; R328-E335 IonicContact CZ-OE1 2.69Å; R328-E335 VanDerWaalsContact CZ-OE1 3.24Å; R328-E335 IonicContact NH1-OE1 2.68Å; R328-E335 PolarHBondContact NH1-OE1 3.45Å; R328-E335 IonicContact NH2-OE1 3.22Å; R328-E335 PolarHBondContact NH2-OE1 2.82Å
329E98.6Very high97.8Very high94 Ų9465.2 Ų65.244%0.43930%0.302SS..  trans-60.1152.4174.6-68.2-62.2157.500110.7Y327 K331 D332 R333Y327-E329 HydrophobicContact CE1-CG 4.44Å; Y327-E329 WeakPolarHBondContact CE1-OE1 3.47Å; E329-K331 HydrophobicContact CB-CG 3.97Å; E329-K331 PolarHBondContact O-N 2.98Å; E329-K331 VanDerWaalsContact O-N 3.09Å; E329-D332 PolarHBondContact O-N 3.25Å; E329-R333 WeakPolarHBondContact O-CG 3.44Å
330P98.6Very high97.7Very high15 Ų1569.3 Ų69.310%0.09732%0.321CS..G310 helixtrans-47.6-40.9178.6-32.938.3000114.6R182 R183 T273 D332 R333R182-P330 HydrophobicContact CG-CB 4.37Å; R182-P330 WeakPolarHBondContact O-CB 3.31Å; R183-P330 WeakPolarHBondContact CB-O 3.2Å; R183-P330 VanDerWaalsContact CG-O 3.23Å; R183-P330 WeakPolarHBondContact CG-O 3.33Å; T273-P330 HydrophobicContact CG2-CB 3.89Å; T273-P330 HydrophobicContact CG2-CG 4.44Å; P330-D332 PolarHBondContact O-N 3.21Å; P330-R333 WeakPolarHBondContact O-CB 3.5Å; P330-R333 PolarHBondContact O-N 3.37Å; P330-R333 VanDerWaalsContact O-N 3.09Å
331K97.9Very high97.7Very high138 Ų13873.9 Ų73.960%0.634%0.342SS*.G310 helixtrans-60-29.2177.957.9169.6-176.5156.50114.1R183 E329 R333R183-K331 VanDerWaalsContact O-CA 3.29Å; R183-K331 WeakPolarHBondContact O-CA 3.07Å; E329-K331 HydrophobicContact CB-CG 3.97Å; E329-K331 PolarHBondContact O-N 2.98Å; E329-K331 VanDerWaalsContact O-N 3.09Å; K331-R333 VanDerWaalsContact C-N 3.29Å; K331-R333 PolarHBondContact O-N 3Å
332D96.7Very high97.6Very high82 Ų8273.9 Ų73.944%0.43934%0.338SS..G310 helixtrans-88.93.3-178.7-57.6-45.9000112R328 E329 P330R328-D332 HydrophobicContact CB-CB 4.46Å; R328-D332 PolarHBondContact NE-O 3.1Å; R328-D332 PolarHBondContact NH2-O 2.97Å; E329-D332 PolarHBondContact O-N 3.25Å; P330-D332 PolarHBondContact O-N 3.21Å
333R97.8Very high97.5Very high0 Ų074.2 Ų74.20%034%0.343CS..G310 helixtrans-101.39.8-179.7-53.7177-164.4169.33.8113.6G274 S275 F278 E316 Y327 R328 E329 P330 K331 E335G274-R333 VanDerWaalsContact O-CB 3.26Å; G274-R333 WeakPolarHBondContact O-CB 3.48Å; S275-R333 PolarHBondContact N-O 2.86Å; S275-R333 PolarHBondContact OG-O 3Å; F278-R333 HydrophobicContact CB-CB 4.41Å; F278-R333 HydrophobicContact CD1-CB 4.15Å; F278-R333 HydrophobicContact CD1-CG 4.29Å; F278-R333 HydrophobicContact CD2-CB 3.89Å; F278-R333 HydrophobicContact CD2-CG 4.05Å; F278-R333 HydrophobicContact CE1-CB 4.49Å; F278-R333 HydrophobicContact CE1-CG 4.12Å; F278-R333 HydrophobicContact CE2-CB 4.23Å; F278-R333 HydrophobicContact CE2-CG 3.86Å; F278-R333 HydrophobicContact CG-CB 3.86Å; F278-R333 HydrophobicContact CG-CG 4.28Å; F278-R333 HydrophobicContact CZ-CG 3.92Å; E316-R333 IonicContact OE2-CZ 3.54Å; E316-R333 VanDerWaalsContact OE2-CZ 3.25Å; E316-R333 IonicContact OE2-NH1 3.95Å; E316-R333 PolarHBondContact OE2-NH1 2.87Å; E316-R333 IonicContact OE2-NH2 2.71Å; E316-R333 PolarHBondContact OE2-NH2 2.99Å; Y327-R333 PolarHBondContact OH-NH2 2.84Å; R328-R333 HydrophobicContact CB-CG 4.38Å; R328-R333 VanDerWaalsContact O-CZ 3.22Å; R328-R333 PolarHBondContact O-NE 3.15Å; R328-R333 PolarHBondContact O-NH2 3.29Å; E329-R333 WeakPolarHBondContact O-CG 3.44Å; P330-R333 WeakPolarHBondContact O-CB 3.5Å; P330-R333 PolarHBondContact O-N 3.37Å; P330-R333 VanDerWaalsContact O-N 3.09Å; K331-R333 VanDerWaalsContact C-N 3.29Å; K331-R333 PolarHBondContact O-N 3Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 PolarHBondContact O-N 3.24Å
334S95.1Very high97.4Very high62 Ų6280.3 Ų80.343%0.43437%0.371SS..  trans-77.480173.3-670000110K48 R183K48-S334 WeakPolarHBondContact CE-O 3.37Å; R183-S334 PolarHBondContact NE-OG 3.44Å
335E92.1Very high97.3Very high41 Ų4174.8 Ų74.819%0.19235%0.345CS..  trans-96.40173.5-38.8-149.4141.800112.2S44 K48 S275 I277 F278 N281 R328 R333S44-E335 WeakPolarHBondContact CB-O 3.35Å; S44-E335 PolarHBondContact OG-O 3.18Å; K48-E335 VanDerWaalsContact NZ-CA 3.33Å; K48-E335 IonicContact NZ-OE1 2.9Å; K48-E335 PolarHBondContact NZ-OE1 3.29Å; K48-E335 IonicContact NZ-OE2 2.63Å; S275-E335 WeakPolarHBondContact CB-OXT 3.48Å; S275-E335 PolarHBondContact OG-N 3.22Å; S275-E335 PolarHBondContact OG-OXT 3.48Å; I277-E335 HydrophobicContact CB-CB 4.02Å; I277-E335 HydrophobicContact CG2-CB 3.89Å; F278-E335 HydrophobicContact CB-CB 4.46Å; F278-E335 HydrophobicContact CB-CG 3.77Å; F278-E335 HydrophobicContact CD2-CG 4Å; F278-E335 HydrophobicContact CG-CG 4.38Å; N281-E335 PolarHBondContact ND2-OE2 3.48Å; R328-E335 IonicContact CZ-OE1 2.69Å; R328-E335 VanDerWaalsContact CZ-OE1 3.24Å; R328-E335 IonicContact NH1-OE1 2.68Å; R328-E335 PolarHBondContact NH1-OE1 3.45Å; R328-E335 IonicContact NH2-OE1 3.22Å; R328-E335 PolarHBondContact NH2-OE1 2.82Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 PolarHBondContact O-N 3.24Å

Retrieved 335 of 335 residues in 67.8 ms (Link to these results)

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