A0A3Q0KQI8_SCHMA Loading...

DEP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 877 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
1M30Very low48.6Very low200 Ų200115.1 Ų115.199%0.98561%0.607SS**  01160-81.8-176.9170.400108.8F6M1-F6 HydrophobicContact CB-CE2 4.42Å; M1-F6 HydrophobicContact CE-CZ 4.41Å; M1-F6 HydrophobicContact SD-CE2 3.68Å; M1-F6 HydrophobicContact SD-CZ 3.69Å
2S31.6Very low51.4Low91 Ų91106.8 Ų106.864%0.63656%0.563SS**  trans-73.8121.3176.9164.50000109.9K4S2-K4 PolarHBondContact O-N 3.2Å
3A40.4Very low53.8Low60 Ų60101 Ų10150%0.49653%0.531SS..THydrogen-bonded Turntrans-66.94.7-175.400000115.1K9A3-K9 WeakPolarHBondContact O-CE 3.48Å
4K41.8Very low55.8Low170 Ų170103.6 Ų103.674%0.73954%0.535SS*.THydrogen-bonded Turntrans-94.6-5.4-175.7-72.8-175.4176.1178.90114.6S2S2-K4 PolarHBondContact O-N 3.2Å
5H37.4Very low57.7Low171 Ų17198.1 Ų98.179%0.79251%0.507SS*.SBendtrans-136.543.1-176.7-87.445.6000113.3
6F39.5Very low59.4Low92 Ų9292.1 Ų92.140%0.40448%0.476SS..  trans-102.2111177-113.9-60.7000110.9M1 S8 K9M1-F6 HydrophobicContact CB-CE2 4.42Å; M1-F6 HydrophobicContact CE-CZ 4.41Å; M1-F6 HydrophobicContact SD-CE2 3.68Å; M1-F6 HydrophobicContact SD-CZ 3.69Å; F6-S8 VanDerWaalsContact CB-OG 3.24Å; F6-S8 WeakPolarHBondContact CB-OG 3.36Å; F6-S8 WeakPolarHBondContact CD1-OG 3.44Å; F6-S8 VanDerWaalsContact CE1-OG 3.26Å; F6-S8 WeakPolarHBondContact CE1-OG 3.28Å; F6-S8 WeakPolarHBondContact CG-OG 3.44Å; F6-S8 PolarHBondContact O-N 3.41Å; F6-K9 PolarHBondContact O-N 2.87Å
7A44Very low60.8Low104 Ų10491.4 Ų91.486%0.8647%0.468SS*.THydrogen-bonded Turntrans-57-3.7157.900000112.7
8S61.8Low62.2Low33 Ų3389.3 Ų89.323%0.23146%0.456CS..THydrogen-bonded Turntrans-90.9-4.6176.2760000114.8F6 E10 K11 L12F6-S8 VanDerWaalsContact CB-OG 3.24Å; F6-S8 WeakPolarHBondContact CB-OG 3.36Å; F6-S8 WeakPolarHBondContact CD1-OG 3.44Å; F6-S8 VanDerWaalsContact CE1-OG 3.26Å; F6-S8 WeakPolarHBondContact CE1-OG 3.28Å; F6-S8 WeakPolarHBondContact CG-OG 3.44Å; F6-S8 PolarHBondContact O-N 3.41Å; S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 3.06Å; S8-K11 PolarHBondContact O-N 3.21Å; S8-L12 VanDerWaalsContact O-CB 3.27Å; S8-L12 WeakPolarHBondContact O-CB 3.2Å; S8-L12 PolarHBondContact O-N 2.52Å
9K66.3Low63.4Low73 Ų7384.6 Ų84.632%0.31743%0.433SS..Hα-helixtrans-59-43.1-179.3-83.7-166.4174.3-167.40111.8A3 F6 L12 F13 F86A3-K9 WeakPolarHBondContact O-CE 3.48Å; F6-K9 PolarHBondContact O-N 2.87Å; K9-L12 PolarHBondContact O-N 3.27Å; K9-F13 WeakPolarHBondContact O-CB 3.32Å; K9-F13 PolarHBondContact O-N 3.03Å; K9-F86 WeakPolarHBondContact O-CE1 3.45Å
10E67.9Low64.4Low122 Ų12282.9 Ų82.957%0.5742%0.423SS*.Hα-helixtrans-63.8-45.7175.4-175.2176.5179.800112S8 L12 F13 K14 F89S8-E10 VanDerWaalsContact C-N 3.3Å; S8-E10 PolarHBondContact O-N 3.06Å; E10-L12 VanDerWaalsContact C-N 3.35Å; E10-L12 PolarHBondContact O-N 3.39Å; E10-F13 PolarHBondContact O-N 3.24Å; E10-K14 WeakPolarHBondContact O-CB 3.42Å; E10-K14 PolarHBondContact O-N 3.48Å; E10-F89 HydrophobicContact CB-CE1 4.03Å; E10-F89 HydrophobicContact CB-CE2 4.43Å; E10-F89 HydrophobicContact CB-CZ 3.62Å; E10-F89 HydrophobicContact CG-CE1 3.84Å; E10-F89 HydrophobicContact CG-CZ 3.68Å
11K74.2Confident65.3Low150 Ų15083 Ų8365%0.65244%0.436SS*.Hα-helixtrans-61.7-42.3176-68.8-171177.2-1730111.7S8 K14 I15S8-K11 PolarHBondContact O-N 3.21Å; K11-K14 PolarHBondContact O-N 3.36Å; K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 WeakPolarHBondContact O-CG1 3.35Å; K11-I15 PolarHBondContact O-N 2.96Å
12L82.3Confident67.6Low15 Ų1582.3 Ų82.38%0.07942%0.422CS..Hα-helixtrans-64-43.1177.1-178.563.5000111.2S8 K9 E10 I15 L16 F53 F56 I57 F62 F86S8-L12 VanDerWaalsContact O-CB 3.27Å; S8-L12 WeakPolarHBondContact O-CB 3.2Å; S8-L12 PolarHBondContact O-N 2.52Å; K9-L12 PolarHBondContact O-N 3.27Å; E10-L12 VanDerWaalsContact C-N 3.35Å; E10-L12 PolarHBondContact O-N 3.39Å; L12-I15 PolarHBondContact O-N 3.39Å; L12-L16 HydrophobicContact CD1-CD1 4.31Å; L12-L16 HydrophobicContact CD1-CG 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.09Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.33Å; L12-F53 HydrophobicContact CD1-CE2 3.87Å; L12-F53 HydrophobicContact CD1-CZ 4.26Å; L12-F56 HydrophobicContact CD1-CE1 4.22Å; L12-F56 HydrophobicContact CD2-CE1 3.95Å; L12-I57 HydrophobicContact CD1-CG2 4.43Å; L12-F62 HydrophobicContact CD2-CE2 4.31Å; L12-F86 HydrophobicContact CB-CZ 4.46Å; L12-F86 HydrophobicContact CD2-CZ 4.1Å; L12-F86 HydrophobicContact CG-CZ 4.08Å
13F82Confident69.8Low32 Ų3279.6 Ų79.614%0.1440%0.399CS..Hα-helixtrans-61.2-45.4174.3-175.2-113000111.6K9 E10 I15 L16 K17 F86K9-F13 WeakPolarHBondContact O-CB 3.32Å; K9-F13 PolarHBondContact O-N 3.03Å; E10-F13 PolarHBondContact O-N 3.24Å; F13-I15 PolarHBondContact O-N 2.57Å; F13-L16 PolarHBondContact O-N 2.82Å; F13-K17 HydrophobicContact CD1-CG 4.34Å; F13-K17 HydrophobicContact CD2-CG 4.37Å; F13-K17 HydrophobicContact CE1-CG 3.98Å; F13-K17 HydrophobicContact CE2-CD 4.44Å; F13-K17 HydrophobicContact CE2-CG 4.03Å; F13-K17 HydrophobicContact CZ-CD 4.24Å; F13-K17 VanDerWaalsContact CZ-CE 3.42Å; F13-K17 HydrophobicContact CZ-CG 3.84Å; F13-K17 WeakPolarHBondContact O-CB 3.24Å; F13-K17 WeakPolarHBondContact O-CG 3.37Å; F13-K17 PolarHBondContact O-N 3.38Å; F13-F86 HydrophobicContact CB-CD1 3.83Å; F13-F86 HydrophobicContact CB-CE1 3.69Å; F13-F86 HydrophobicContact CB-CG 4.33Å; F13-F86 HydrophobicContact CB-CZ 4.08Å; F13-F86 HydrophobicContact CD2-CB 3.76Å; F13-F86 AromaticContact CD2-CD1 3.8Å; F13-F86 HydrophobicContact CD2-CD1 3.8Å; F13-F86 AromaticContact CD2-CD2 3.51Å; F13-F86 HydrophobicContact CD2-CD2 3.51Å; F13-F86 HydrophobicContact CD2-CE1 4.26Å; F13-F86 HydrophobicContact CD2-CE2 4.02Å; F13-F86 AromaticContact CD2-CG 3.4Å; F13-F86 HydrophobicContact CD2-CG 3.4Å; F13-F86 VanDerWaalsContact CD2-CG 3.4Å; F13-F86 HydrophobicContact CD2-CZ 4.36Å; F13-F86 HydrophobicContact CE2-CB 3.86Å; F13-F86 HydrophobicContact CE2-CD2 4.12Å; F13-F86 HydrophobicContact CE2-CG 4.01Å; F13-F86 HydrophobicContact CG-CD1 4.12Å; F13-F86 HydrophobicContact CG-CE1 4.41Å; F13-F86 HydrophobicContact CG-CG 4.18Å
14K81.9Confident71Confident137 Ų13783.6 Ų83.660%0.59641%0.412SS*.Hα-helixtrans-60.3-44.7176.5-169.4179.4-179.1-175.70111.8E10 K11 K17 E18E10-K14 WeakPolarHBondContact O-CB 3.42Å; E10-K14 PolarHBondContact O-N 3.48Å; K11-K14 PolarHBondContact O-N 3.36Å; K14-K17 PolarHBondContact O-N 3.08Å; K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 PolarHBondContact O-N 3.42Å
15I84.8Confident72.3Confident22 Ų2278 Ų7811%0.11340%0.395CS..Hα-helixtrans-60-48.9175.3-65.4159.4000110.3K11 L12 F13 K17 E18 F19 W35 Y39 F53K11-I15 WeakPolarHBondContact O-CD1 3.48Å; K11-I15 WeakPolarHBondContact O-CG1 3.35Å; K11-I15 PolarHBondContact O-N 2.96Å; L12-I15 PolarHBondContact O-N 3.39Å; F13-I15 PolarHBondContact O-N 2.57Å; I15-K17 PolarHBondContact O-N 2.73Å; I15-E18 PolarHBondContact O-N 3.05Å; I15-F19 WeakPolarHBondContact O-CB 3.14Å; I15-F19 PolarHBondContact O-N 3.34Å; I15-W35 HydrophobicContact CG2-CH2 4.31Å; I15-W35 HydrophobicContact CG2-CZ3 4.37Å; I15-Y39 HydrophobicContact CD1-CE1 4.05Å; I15-Y39 HydrophobicContact CG1-CE1 3.57Å; I15-Y39 HydrophobicContact CG1-CE2 4.39Å; I15-Y39 VanDerWaalsContact CG1-CZ 3.48Å; I15-Y39 WeakPolarHBondContact CG1-OH 3.22Å; I15-Y39 HydrophobicContact CG2-CE1 4.45Å; I15-F53 HydrophobicContact CB-CZ 4.5Å; I15-F53 HydrophobicContact CG2-CE1 4.1Å; I15-F53 HydrophobicContact CG2-CE2 4.49Å; I15-F53 HydrophobicContact CG2-CZ 3.58Å
16L85.1Confident74.1Confident1 Ų172.5 Ų72.51%0.00537%0.374CS..Hα-helixtrans-65.5-38-178.8-73.2169000112.6L12 F13 F19 Q20 I57 F62 F86L12-L16 HydrophobicContact CD1-CD1 4.31Å; L12-L16 HydrophobicContact CD1-CG 4.45Å; L12-L16 HydrophobicContact CG-CD1 4.09Å; L12-L16 WeakPolarHBondContact O-CB 3.25Å; L12-L16 VanDerWaalsContact O-CG 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.33Å; F13-L16 PolarHBondContact O-N 2.82Å; L16-F19 PolarHBondContact O-N 2.74Å; L16-Q20 VanDerWaalsContact O-CB 3.24Å; L16-Q20 WeakPolarHBondContact O-CB 3.4Å; L16-Q20 PolarHBondContact O-N 3.16Å; L16-I57 HydrophobicContact CD2-CG2 4.15Å; L16-F62 HydrophobicContact CD1-CD2 3.5Å; L16-F62 HydrophobicContact CD1-CE2 3.72Å; L16-F62 HydrophobicContact CD1-CG 4.18Å; L16-F62 HydrophobicContact CD2-CB 4.45Å; L16-F62 HydrophobicContact CD2-CD2 4.28Å; L16-F86 HydrophobicContact CD1-CE2 3.69Å; L16-F86 HydrophobicContact CD1-CZ 4.03Å
17K83.4Confident76Confident80 Ų8068.4 Ų68.435%0.34836%0.356SS..Hα-helixtrans-69.2-41.1175.5-76.2-67.4-177.1-173.20112.3F13 K14 I15 F19 Q20 A21F13-K17 HydrophobicContact CD1-CG 4.34Å; F13-K17 HydrophobicContact CD2-CG 4.37Å; F13-K17 HydrophobicContact CE1-CG 3.98Å; F13-K17 HydrophobicContact CE2-CD 4.44Å; F13-K17 HydrophobicContact CE2-CG 4.03Å; F13-K17 HydrophobicContact CZ-CD 4.24Å; F13-K17 VanDerWaalsContact CZ-CE 3.42Å; F13-K17 HydrophobicContact CZ-CG 3.84Å; F13-K17 WeakPolarHBondContact O-CB 3.24Å; F13-K17 WeakPolarHBondContact O-CG 3.37Å; F13-K17 PolarHBondContact O-N 3.38Å; K14-K17 PolarHBondContact O-N 3.08Å; I15-K17 PolarHBondContact O-N 2.73Å; K17-F19 VanDerWaalsContact C-N 3.3Å; K17-Q20 PolarHBondContact O-N 2.92Å; K17-A21 VanDerWaalsContact O-CB 3.27Å; K17-A21 WeakPolarHBondContact O-CB 3.32Å; K17-A21 PolarHBondContact O-N 3.41Å
18E85Confident77.7Confident54 Ų5468.8 Ų68.825%0.25234%0.335SS..Hα-helixtrans-65.5-37.8173.1-163.8-177.8149.700111.2K14 I15 A21 R22 W35 Y39 R42K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 PolarHBondContact O-N 3.42Å; I15-E18 PolarHBondContact O-N 3.05Å; E18-A21 PolarHBondContact O-N 2.86Å; E18-R22 WeakPolarHBondContact O-CB 3.33Å; E18-R22 PolarHBondContact O-N 3.43Å; E18-W35 HydrophobicContact CB-CH2 4.46Å; E18-W35 HydrophobicContact CB-CZ2 4.19Å; E18-W35 HydrophobicContact CG-CZ2 4.02Å; E18-Y39 WeakPolarHBondContact OE2-CE2 3.32Å; E18-R42 VanDerWaalsContact CD-NH2 3.27Å; E18-R42 IonicContact OE1-CZ 3.85Å; E18-R42 VanDerWaalsContact OE1-CZ 3.28Å; E18-R42 IonicContact OE1-NH1 2.8Å; E18-R42 PolarHBondContact OE1-NH1 3.01Å; E18-R42 IonicContact OE1-NH2 2.76Å; E18-R42 PolarHBondContact OE1-NH2 2.94Å; E18-R42 IonicContact OE2-NH2 3.72Å; E18-R42 PolarHBondContact OE2-NH2 3.38Å; E18-R42 VanDerWaalsContact OE2-NH2 3.09Å
19F85.7Confident78.6Confident1 Ų170.2 Ų70.20%0.00434%0.34CS..Hα-helixtrans-65.2-46.2176.9-167.2-167.8000111.3I15 L16 K17 A21 R22 F23 F27 A32 W35 I57 F77I15-F19 WeakPolarHBondContact O-CB 3.14Å; I15-F19 PolarHBondContact O-N 3.34Å; L16-F19 PolarHBondContact O-N 2.74Å; K17-F19 VanDerWaalsContact C-N 3.3Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.22Å; F19-R22 PolarHBondContact O-N 2.79Å; F19-F23 AromaticContact CD2-CD2 3.44Å; F19-F23 HydrophobicContact CD2-CD2 3.44Å; F19-F23 VanDerWaalsContact CD2-CD2 3.44Å; F19-F23 AromaticContact CD2-CE2 3.77Å; F19-F23 HydrophobicContact CD2-CE2 3.77Å; F19-F23 HydrophobicContact CD2-CG 4.44Å; F19-F23 AromaticContact CE2-CD2 3.35Å; F19-F23 HydrophobicContact CE2-CD2 3.35Å; F19-F23 AromaticContact CE2-CE2 3.52Å; F19-F23 HydrophobicContact CE2-CE2 3.52Å; F19-F23 HydrophobicContact CE2-CG 4.14Å; F19-F23 HydrophobicContact CE2-CZ 4.44Å; F19-F23 PolarHBondContact O-N 2.95Å; F19-F23 VanDerWaalsContact O-N 3.12Å; F19-F27 AromaticContact CZ-CE2 3.96Å; F19-F27 HydrophobicContact CZ-CE2 3.96Å; F19-F27 HydrophobicContact CZ-CZ 4.22Å; F19-A32 HydrophobicContact CE2-CB 4.15Å; F19-A32 HydrophobicContact CZ-CB 3.6Å; F19-W35 HydrophobicContact CB-CE3 4.23Å; F19-W35 HydrophobicContact CB-CH2 3.48Å; F19-W35 VanDerWaalsContact CB-CH2 3.48Å; F19-W35 HydrophobicContact CB-CZ2 4.19Å; F19-W35 HydrophobicContact CB-CZ3 3.5Å; F19-W35 HydrophobicContact CD1-CE3 4.45Å; F19-W35 HydrophobicContact CD1-CZ3 4.08Å; F19-W35 AromaticContact CD2-CD2 3.95Å; F19-W35 HydrophobicContact CD2-CD2 3.95Å; F19-W35 AromaticContact CD2-CE3 3.48Å; F19-W35 HydrophobicContact CD2-CE3 3.48Å; F19-W35 VanDerWaalsContact CD2-CE3 3.48Å; F19-W35 HydrophobicContact CD2-CH2 4.27Å; F19-W35 AromaticContact CD2-CZ3 3.67Å; F19-W35 HydrophobicContact CD2-CZ3 3.67Å; F19-W35 HydrophobicContact CE2-CD2 4.46Å; F19-W35 AromaticContact CE2-CE3 3.96Å; F19-W35 HydrophobicContact CE2-CE3 3.96Å; F19-W35 HydrophobicContact CE2-CZ3 4.47Å; F19-W35 AromaticContact CG-CE3 3.81Å; F19-W35 HydrophobicContact CG-CE3 3.81Å; F19-W35 AromaticContact CG-CH2 4Å; F19-W35 HydrophobicContact CG-CH2 4Å; F19-W35 AromaticContact CG-CZ3 3.48Å; F19-W35 HydrophobicContact CG-CZ3 3.48Å; F19-W35 VanDerWaalsContact CG-CZ3 3.48Å; F19-I57 HydrophobicContact CD1-CD1 4.34Å; F19-I57 HydrophobicContact CE1-CD1 3.84Å; F19-F77 HydrophobicContact CB-CZ 4.28Å; F19-F77 AromaticContact CD1-CE1 3.78Å; F19-F77 HydrophobicContact CD1-CE1 3.78Å; F19-F77 AromaticContact CD1-CZ 3.8Å; F19-F77 HydrophobicContact CD1-CZ 3.8Å; F19-F77 AromaticContact CD2-CZ 3.92Å; F19-F77 HydrophobicContact CD2-CZ 3.92Å; F19-F77 HydrophobicContact CE1-CE1 4.05Å; F19-F77 AromaticContact CE1-CZ 3.99Å; F19-F77 HydrophobicContact CE1-CZ 3.99Å; F19-F77 HydrophobicContact CE2-CZ 4.09Å; F19-F77 HydrophobicContact CG-CE1 4.1Å; F19-F77 AromaticContact CG-CZ 3.72Å; F19-F77 HydrophobicContact CG-CZ 3.72Å; F19-F77 HydrophobicContact CZ-CZ 4.1Å
20Q83.7Confident79.2Confident50 Ų5069.8 Ų69.823%0.23435%0.35CS..Hα-helixtrans-63.9-35.2175-170.9-178.112.600112.1L16 K17 R22 F23 F77L16-Q20 VanDerWaalsContact O-CB 3.24Å; L16-Q20 WeakPolarHBondContact O-CB 3.4Å; L16-Q20 PolarHBondContact O-N 3.16Å; K17-Q20 PolarHBondContact O-N 2.92Å; Q20-R22 VanDerWaalsContact C-N 3.32Å; Q20-F23 VanDerWaalsContact O-O 3.1Å; Q20-F77 HydrophobicContact CB-CE2 4.45Å; Q20-F77 HydrophobicContact CG-CD2 4.32Å
21A81.9Confident79.8Confident85 Ų8567.8 Ų67.870%0.70234%0.341SS*.Hα-helixtrans-72-25.3176.200000113K17 E18 F19K17-A21 VanDerWaalsContact O-CB 3.27Å; K17-A21 WeakPolarHBondContact O-CB 3.32Å; K17-A21 PolarHBondContact O-N 3.41Å; E18-A21 PolarHBondContact O-N 2.86Å; F19-A21 VanDerWaalsContact C-N 3.32Å; F19-A21 PolarHBondContact O-N 3.22Å
22R78.9Confident80.3Confident186 Ų18660.7 Ų60.770%0.70231%0.31SS*.Hα-helixtrans-88.9-25.6-179-148.980.2171.6155.4-0.6113.4E18 F19 Q20E18-R22 WeakPolarHBondContact O-CB 3.33Å; E18-R22 PolarHBondContact O-N 3.43Å; F19-R22 PolarHBondContact O-N 2.79Å; Q20-R22 VanDerWaalsContact C-N 3.32Å
23F76.9Confident80.4Confident33 Ų3361.9 Ų61.915%0.14532%0.318CS..  trans-124.4119.6-178.1-69.6-88.7000111.6F19 Q20 F27 E31 W35 F77F19-F23 AromaticContact CD2-CD2 3.44Å; F19-F23 HydrophobicContact CD2-CD2 3.44Å; F19-F23 VanDerWaalsContact CD2-CD2 3.44Å; F19-F23 AromaticContact CD2-CE2 3.77Å; F19-F23 HydrophobicContact CD2-CE2 3.77Å; F19-F23 HydrophobicContact CD2-CG 4.44Å; F19-F23 AromaticContact CE2-CD2 3.35Å; F19-F23 HydrophobicContact CE2-CD2 3.35Å; F19-F23 AromaticContact CE2-CE2 3.52Å; F19-F23 HydrophobicContact CE2-CE2 3.52Å; F19-F23 HydrophobicContact CE2-CG 4.14Å; F19-F23 HydrophobicContact CE2-CZ 4.44Å; F19-F23 PolarHBondContact O-N 2.95Å; F19-F23 VanDerWaalsContact O-N 3.12Å; Q20-F23 VanDerWaalsContact O-O 3.1Å; F23-F27 HydrophobicContact CB-CB 4.13Å; F23-F27 HydrophobicContact CB-CD1 4.28Å; F23-F27 HydrophobicContact CB-CG 4.35Å; F23-F27 HydrophobicContact CD1-CB 3.69Å; F23-F27 HydrophobicContact CD1-CG 4.44Å; F23-F27 HydrophobicContact CE1-CB 4.48Å; F23-F27 HydrophobicContact CG-CB 4.17Å; F23-E31 HydrophobicContact CE1-CB 3.71Å; F23-E31 HydrophobicContact CZ-CB 4.2Å; F23-W35 HydrophobicContact CE2-CB 3.54Å; F23-W35 AromaticContact CE2-CD1 3.88Å; F23-W35 HydrophobicContact CE2-CD2 4.12Å; F23-W35 AromaticContact CE2-CG 3.54Å; F23-W35 HydrophobicContact CE2-CG 3.54Å; F23-W35 HydrophobicContact CZ-CB 3.71Å; F23-W35 HydrophobicContact CZ-CG 4.18Å; F23-F77 HydrophobicContact CB-CE2 4.23Å
24N67.5Low80.5Confident144 Ų14468.7 Ų68.777%0.7734%0.343SS*.PPolyproline II helixtrans-74.3134.9162.7-68.5-14.2000108.6P26N24-P26 CarbonylContact O-C 3.58Å
25S68.7Low80.8Confident54 Ų5463.4 Ų63.438%0.37832%0.319SS..SBendtrans-68.5135.2173-61.50000109.3F77S25-F77 PolarHBondContact OG-N 3.11Å
26P73.9Confident80.8Confident55 Ų5562.4 Ų62.436%0.35731%0.314SS..SBendcis-85.2148.61.730.4-31.6000115N24 R74 Y75 Y76N24-P26 CarbonylContact O-C 3.58Å; P26-R74 HydrophobicContact CB-CB 3.77Å; P26-R74 HydrophobicContact CB-CG 3.97Å; P26-R74 HydrophobicContact CG-CG 4.34Å; P26-Y75 VanDerWaalsContact CA-O 3.28Å; P26-Y75 WeakPolarHBondContact CA-O 3.37Å; P26-Y76 HydrophobicContact CB-CD2 4.35Å; P26-Y76 HydrophobicContact CB-CE1 4.11Å; P26-Y76 HydrophobicContact CB-CE2 3.72Å
27F79.8Confident80.9Confident5 Ų566 Ų662%0.02233%0.331CS..BIsolated β-bridgetrans-120160.8171.160.5-89.1000112.2F19 F23 A32 V63 Y75 F77F19-F27 AromaticContact CZ-CE2 3.96Å; F19-F27 HydrophobicContact CZ-CE2 3.96Å; F19-F27 HydrophobicContact CZ-CZ 4.22Å; F23-F27 HydrophobicContact CB-CB 4.13Å; F23-F27 HydrophobicContact CB-CD1 4.28Å; F23-F27 HydrophobicContact CB-CG 4.35Å; F23-F27 HydrophobicContact CD1-CB 3.69Å; F23-F27 HydrophobicContact CD1-CG 4.44Å; F23-F27 HydrophobicContact CE1-CB 4.48Å; F23-F27 HydrophobicContact CG-CB 4.17Å; F27-A32 HydrophobicContact CD2-CB 3.93Å; F27-A32 HydrophobicContact CE2-CB 3.92Å; F27-V63 HydrophobicContact CE1-CG1 4.38Å; F27-V63 HydrophobicContact CE2-CG1 4.16Å; F27-V63 HydrophobicContact CZ-CB 4.43Å; F27-V63 HydrophobicContact CZ-CG1 3.5Å; F27-V63 HydrophobicContact CZ-CG2 4Å; F27-Y75 WeakPolarHBondContact CD1-O 3.47Å; F27-Y75 HydrophobicContact CE2-CG 4.35Å; F27-Y75 PolarHBondContact N-O 3.44Å; F27-Y75 PolarHBondContact O-N 2.65Å; F27-F77 HydrophobicContact CD1-CD2 4.21Å; F27-F77 AromaticContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CZ 4.37Å; F27-F77 HydrophobicContact CE1-CD1 4.45Å; F27-F77 AromaticContact CE1-CD2 3.6Å; F27-F77 HydrophobicContact CE1-CD2 3.6Å; F27-F77 HydrophobicContact CE1-CE1 4.23Å; F27-F77 AromaticContact CE1-CE2 3.32Å; F27-F77 HydrophobicContact CE1-CE2 3.32Å; F27-F77 HydrophobicContact CE1-CG 4.17Å; F27-F77 AromaticContact CE1-CZ 3.66Å; F27-F77 HydrophobicContact CE1-CZ 3.66Å; F27-F77 HydrophobicContact CZ-CE1 4.29Å; F27-F77 HydrophobicContact CZ-CE2 4.09Å; F27-F77 AromaticContact CZ-CZ 3.95Å; F27-F77 HydrophobicContact CZ-CZ 3.95Å
28R80.3Confident81Confident113 Ų11365.7 Ų65.743%0.42634%0.339SS..  trans-94145.2176.3-67.8176.8171.2173.6-2.8111.2A30 E31 A32 F72R28-A30 PolarHBondContact O-N 3.38Å; R28-E31 HydrophobicContact CB-CG 4.13Å; R28-E31 PolarHBondContact O-N 2.96Å; R28-A32 PolarHBondContact O-N 3.38Å; R28-F72 VanDerWaalsContact NH2-CD1 3.31Å; R28-F72 VanDerWaalsContact NH2-CE1 3.29Å
29L80Confident81Confident62 Ų6264.1 Ų64.133%0.32533%0.331SS..Hα-helixtrans-58.6-35177.6-167.366.5000112.8E31 A32 T33 L54 Y75L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.03Å; L29-A32 PolarHBondContact O-N 2.72Å; L29-T33 WeakPolarHBondContact O-CB 3.21Å; L29-T33 PolarHBondContact O-N 2.9Å; L29-T33 PolarHBondContact O-OG1 2.92Å; L29-L54 HydrophobicContact CD1-CD1 4.22Å; L29-Y75 HydrophobicContact CB-CD2 4.17Å; L29-Y75 HydrophobicContact CB-CE2 3.56Å; L29-Y75 HydrophobicContact CD1-CE1 4.45Å; L29-Y75 HydrophobicContact CD1-CE2 4.39Å; L29-Y75 HydrophobicContact CG-CE2 4.42Å
30A80.4Confident81Confident65 Ų6565.4 Ų65.454%0.53734%0.336SS..Hα-helixtrans-63.9-37176.900000112.5R28 R34R28-A30 PolarHBondContact O-N 3.38Å; A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 2.93Å
31E80.5Confident80.9Confident80 Ų8068.6 Ų68.637%0.37435%0.354SS..Hα-helixtrans-74.7-40.7177.9-62.1166.9-178.900111F23 R28 L29 T33 R34 W35F23-E31 HydrophobicContact CE1-CB 3.71Å; F23-E31 HydrophobicContact CZ-CB 4.2Å; R28-E31 HydrophobicContact CB-CG 4.13Å; R28-E31 PolarHBondContact O-N 2.96Å; L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.03Å; E31-T33 VanDerWaalsContact C-N 3.33Å; E31-T33 PolarHBondContact O-N 3.42Å; E31-R34 PolarHBondContact O-N 3.29Å; E31-W35 PolarHBondContact O-N 2.78Å
32A82.9Confident81.1Confident0 Ų071 Ų710%035%0.345CS..Hα-helixtrans-57.5-44.8171.400000112.1F19 F27 R28 L29 W35 C36 L54F19-A32 HydrophobicContact CE2-CB 4.15Å; F19-A32 HydrophobicContact CZ-CB 3.6Å; F27-A32 HydrophobicContact CD2-CB 3.93Å; F27-A32 HydrophobicContact CE2-CB 3.92Å; R28-A32 PolarHBondContact O-N 3.38Å; L29-A32 PolarHBondContact O-N 2.72Å; A32-W35 PolarHBondContact O-N 2.76Å; A32-C36 WeakPolarHBondContact O-CB 3.32Å; A32-C36 PolarHBondContact O-N 3.41Å; A32-C36 PolarHBondContact O-SG 3.09Å; A32-C36 VanDerWaalsContact O-SG 3.39Å; A32-L54 HydrophobicContact CB-CD2 4.31Å
33T85Confident81.1Confident40 Ų4067.5 Ų67.525%0.24534%0.337CS..Hα-helixtrans-60.8-50.6178-53.10000110.6L29 E31 W35 C36 E37 V50 L54L29-T33 WeakPolarHBondContact O-CB 3.21Å; L29-T33 PolarHBondContact O-N 2.9Å; L29-T33 PolarHBondContact O-OG1 2.92Å; E31-T33 VanDerWaalsContact C-N 3.33Å; E31-T33 PolarHBondContact O-N 3.42Å; T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.15Å; T33-C36 PolarHBondContact O-N 2.8Å; T33-E37 HydrophobicContact CG2-CG 4.41Å; T33-E37 VanDerWaalsContact O-CG 3.27Å; T33-E37 WeakPolarHBondContact O-CG 3.43Å; T33-E37 PolarHBondContact O-N 2.86Å; T33-V50 HydrophobicContact CG2-CG1 4.09Å; T33-L54 HydrophobicContact CG2-CD1 4.49Å; T33-L54 WeakPolarHBondContact OG1-CD1 3.44Å
34R84.6Confident81.2Confident175 Ų17569.4 Ų69.466%0.6637%0.365SS*.Hα-helixtrans-59.9-38.9178-74.7-178.9-173.9164.22113.2A30 E31 S38A30-R34 WeakPolarHBondContact O-CG 3.38Å; A30-R34 PolarHBondContact O-N 2.93Å; E31-R34 PolarHBondContact O-N 3.29Å; R34-S38 WeakPolarHBondContact O-CB 3.17Å; R34-S38 PolarHBondContact O-N 3.05Å; R34-S38 PolarHBondContact O-OG 3.42Å
35W88.1Confident81.5Confident26 Ų2664.2 Ų64.210%0.09835%0.346CS..Hα-helixtrans-67.9-44.6176.5-179.586.9000111.6I15 E18 F19 F23 E31 A32 T33 E37 S38 Y39I15-W35 HydrophobicContact CG2-CH2 4.31Å; I15-W35 HydrophobicContact CG2-CZ3 4.37Å; E18-W35 HydrophobicContact CB-CH2 4.46Å; E18-W35 HydrophobicContact CB-CZ2 4.19Å; E18-W35 HydrophobicContact CG-CZ2 4.02Å; F19-W35 HydrophobicContact CB-CE3 4.23Å; F19-W35 HydrophobicContact CB-CH2 3.48Å; F19-W35 VanDerWaalsContact CB-CH2 3.48Å; F19-W35 HydrophobicContact CB-CZ2 4.19Å; F19-W35 HydrophobicContact CB-CZ3 3.5Å; F19-W35 HydrophobicContact CD1-CE3 4.45Å; F19-W35 HydrophobicContact CD1-CZ3 4.08Å; F19-W35 AromaticContact CD2-CD2 3.95Å; F19-W35 HydrophobicContact CD2-CD2 3.95Å; F19-W35 AromaticContact CD2-CE3 3.48Å; F19-W35 HydrophobicContact CD2-CE3 3.48Å; F19-W35 VanDerWaalsContact CD2-CE3 3.48Å; F19-W35 HydrophobicContact CD2-CH2 4.27Å; F19-W35 AromaticContact CD2-CZ3 3.67Å; F19-W35 HydrophobicContact CD2-CZ3 3.67Å; F19-W35 HydrophobicContact CE2-CD2 4.46Å; F19-W35 AromaticContact CE2-CE3 3.96Å; F19-W35 HydrophobicContact CE2-CE3 3.96Å; F19-W35 HydrophobicContact CE2-CZ3 4.47Å; F19-W35 AromaticContact CG-CE3 3.81Å; F19-W35 HydrophobicContact CG-CE3 3.81Å; F19-W35 AromaticContact CG-CH2 4Å; F19-W35 HydrophobicContact CG-CH2 4Å; F19-W35 AromaticContact CG-CZ3 3.48Å; F19-W35 HydrophobicContact CG-CZ3 3.48Å; F19-W35 VanDerWaalsContact CG-CZ3 3.48Å; F23-W35 HydrophobicContact CE2-CB 3.54Å; F23-W35 AromaticContact CE2-CD1 3.88Å; F23-W35 HydrophobicContact CE2-CD2 4.12Å; F23-W35 AromaticContact CE2-CG 3.54Å; F23-W35 HydrophobicContact CE2-CG 3.54Å; F23-W35 HydrophobicContact CZ-CB 3.71Å; F23-W35 HydrophobicContact CZ-CG 4.18Å; E31-W35 PolarHBondContact O-N 2.78Å; A32-W35 PolarHBondContact O-N 2.76Å; T33-W35 VanDerWaalsContact C-N 3.31Å; T33-W35 PolarHBondContact O-N 3.15Å; W35-E37 PolarHBondContact O-N 3.35Å; W35-S38 PolarHBondContact O-N 3.2Å; W35-Y39 AromaticContact CH2-CD2 3.81Å; W35-Y39 HydrophobicContact CH2-CD2 3.81Å; W35-Y39 HydrophobicContact CH2-CE2 4.41Å; W35-Y39 HydrophobicContact CH2-CG 4.23Å; W35-Y39 AromaticContact CZ2-CD2 3.89Å; W35-Y39 HydrophobicContact CZ2-CD2 3.89Å; W35-Y39 WeakPolarHBondContact O-CB 3.49Å; W35-Y39 PolarHBondContact O-N 3.12Å
36C85.5Confident82Confident1 Ų165.6 Ų65.61%0.00735%0.349CS..Hα-helixtrans-63-40.3175.6-730000112.2A32 T33 S38 Y39 F40 V50A32-C36 WeakPolarHBondContact O-CB 3.32Å; A32-C36 PolarHBondContact O-N 3.41Å; A32-C36 PolarHBondContact O-SG 3.09Å; A32-C36 VanDerWaalsContact O-SG 3.39Å; T33-C36 PolarHBondContact O-N 2.8Å; C36-S38 VanDerWaalsContact C-N 3.35Å; C36-S38 PolarHBondContact O-N 2.76Å; C36-Y39 PolarHBondContact O-N 3.13Å; C36-F40 WeakPolarHBondContact O-CB 3.45Å; C36-F40 WeakPolarHBondContact O-CD2 3.47Å; C36-F40 PolarHBondContact O-N 3.17Å; C36-V50 HydrophobicContact CB-CB 4.48Å; C36-V50 HydrophobicContact CB-CG1 3.5Å; C36-V50 HydrophobicContact CB-CG2 4.26Å
37E86Confident82.4Confident76 Ų7665.6 Ų65.636%0.35535%0.348SS..Hα-helixtrans-58.1-47.9172.7-69174.5163.200110.8T33 W35 Y39 F40 I41 V47 V50T33-E37 HydrophobicContact CG2-CG 4.41Å; T33-E37 VanDerWaalsContact O-CG 3.27Å; T33-E37 WeakPolarHBondContact O-CG 3.43Å; T33-E37 PolarHBondContact O-N 2.86Å; W35-E37 PolarHBondContact O-N 3.35Å; E37-Y39 PolarHBondContact O-N 2.86Å; E37-F40 PolarHBondContact O-N 3.48Å; E37-I41 WeakPolarHBondContact O-CD1 3.26Å; E37-I41 WeakPolarHBondContact O-CG1 3.3Å; E37-I41 PolarHBondContact O-N 3.44Å; E37-V47 HydrophobicContact CB-CG1 4.11Å; E37-V47 HydrophobicContact CG-CG1 3.75Å; E37-V50 HydrophobicContact CG-CB 4.4Å; E37-V50 HydrophobicContact CG-CG1 4.21Å; E37-V50 HydrophobicContact CG-CG2 4.06Å
38S85.4Confident82.3Confident75 Ų7573.3 Ų73.352%0.52438%0.384SS..Hα-helixtrans-64-39.7178.1-590000112.6R34 W35 C36 R42R34-S38 WeakPolarHBondContact O-CB 3.17Å; R34-S38 PolarHBondContact O-N 3.05Å; R34-S38 PolarHBondContact O-OG 3.42Å; W35-S38 PolarHBondContact O-N 3.2Å; C36-S38 VanDerWaalsContact C-N 3.35Å; C36-S38 PolarHBondContact O-N 2.76Å; S38-R42 WeakPolarHBondContact O-CB 3.38Å; S38-R42 PolarHBondContact O-N 3.17Å
39Y86.6Confident82.3Confident20 Ų2070.6 Ų70.68%0.07838%0.38CS..Hα-helixtrans-64.5-47.1176.1-176.4-83.3000111.3I15 E18 W35 C36 E37 I41 R42 E43I15-Y39 HydrophobicContact CD1-CE1 4.05Å; I15-Y39 HydrophobicContact CG1-CE1 3.57Å; I15-Y39 HydrophobicContact CG1-CE2 4.39Å; I15-Y39 VanDerWaalsContact CG1-CZ 3.48Å; I15-Y39 WeakPolarHBondContact CG1-OH 3.22Å; I15-Y39 HydrophobicContact CG2-CE1 4.45Å; E18-Y39 WeakPolarHBondContact OE2-CE2 3.32Å; W35-Y39 AromaticContact CH2-CD2 3.81Å; W35-Y39 HydrophobicContact CH2-CD2 3.81Å; W35-Y39 HydrophobicContact CH2-CE2 4.41Å; W35-Y39 HydrophobicContact CH2-CG 4.23Å; W35-Y39 AromaticContact CZ2-CD2 3.89Å; W35-Y39 HydrophobicContact CZ2-CD2 3.89Å; W35-Y39 WeakPolarHBondContact O-CB 3.49Å; W35-Y39 PolarHBondContact O-N 3.12Å; C36-Y39 PolarHBondContact O-N 3.13Å; E37-Y39 PolarHBondContact O-N 2.86Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.15Å; Y39-R42 PolarHBondContact O-N 3.27Å; Y39-E43 HydrophobicContact CD1-CG 4.05Å; Y39-E43 HydrophobicContact CE1-CB 4.27Å; Y39-E43 HydrophobicContact CE1-CG 3.56Å; Y39-E43 HydrophobicContact CE2-CG 4.17Å; Y39-E43 WeakPolarHBondContact O-CG 3.31Å; Y39-E43 PolarHBondContact O-N 2.68Å
40F84.5Confident82.5Confident28 Ų2867.8 Ų67.812%0.12337%0.365CS..Hα-helixtrans-64.2-39.8178.7-84.3-124.8000110.7C36 E37 R42 E43 G44 G45 N46 T49 V50 F53C36-F40 WeakPolarHBondContact O-CB 3.45Å; C36-F40 WeakPolarHBondContact O-CD2 3.47Å; C36-F40 PolarHBondContact O-N 3.17Å; E37-F40 PolarHBondContact O-N 3.48Å; F40-R42 PolarHBondContact O-N 2.75Å; F40-E43 PolarHBondContact O-N 3.49Å; F40-G44 CarbonylContact O-C 3.58Å; F40-G44 PolarHBondContact O-N 2.93Å; F40-G44 VanDerWaalsContact O-N 3.08Å; F40-G45 WeakPolarHBondContact O-CA 3.31Å; F40-G45 PolarHBondContact O-N 3.47Å; F40-N46 WeakPolarHBondContact CD1-O 2.94Å; F40-T49 VanDerWaalsContact CE1-OG1 3.29Å; F40-T49 WeakPolarHBondContact CE1-OG1 3.48Å; F40-V50 HydrophobicContact CB-CG2 4.36Å; F40-V50 HydrophobicContact CD1-CG2 4.28Å; F40-V50 HydrophobicContact CD2-CG2 4.28Å; F40-V50 HydrophobicContact CG-CG2 4.05Å; F40-F53 HydrophobicContact CE2-CB 4.5Å; F40-F53 HydrophobicContact CE2-CD1 4.16Å; F40-F53 HydrophobicContact CE2-CG 4.13Å; F40-F53 HydrophobicContact CZ-CB 3.91Å; F40-F53 HydrophobicContact CZ-CD1 4.34Å; F40-F53 HydrophobicContact CZ-CD2 4.11Å; F40-F53 AromaticContact CZ-CG 3.85Å; F40-F53 HydrophobicContact CZ-CG 3.85Å
41I82.8Confident82.6Confident117 Ų11766.5 Ų66.560%0.636%0.359SS*.Hα-helixtrans-60.2-45.6172.8-68.8163.9000111E37 Y39 G44 V47E37-I41 WeakPolarHBondContact O-CD1 3.26Å; E37-I41 WeakPolarHBondContact O-CG1 3.3Å; E37-I41 PolarHBondContact O-N 3.44Å; Y39-I41 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.15Å; I41-G44 PolarHBondContact O-N 3.08Å; I41-V47 HydrophobicContact CD1-CG2 4.23Å; I41-V47 HydrophobicContact CG1-CG2 3.68Å
42R84.2Confident82.6Confident135 Ų13566.7 Ų66.751%0.50937%0.365SS..Hα-helixtrans-65.9-38.1-178.3-170.1-178.468.9-159.2-2.3113.1E18 S38 Y39 F40E18-R42 VanDerWaalsContact CD-NH2 3.27Å; E18-R42 IonicContact OE1-CZ 3.85Å; E18-R42 VanDerWaalsContact OE1-CZ 3.28Å; E18-R42 IonicContact OE1-NH1 2.8Å; E18-R42 PolarHBondContact OE1-NH1 3.01Å; E18-R42 IonicContact OE1-NH2 2.76Å; E18-R42 PolarHBondContact OE1-NH2 2.94Å; E18-R42 IonicContact OE2-NH2 3.72Å; E18-R42 PolarHBondContact OE2-NH2 3.38Å; E18-R42 VanDerWaalsContact OE2-NH2 3.09Å; S38-R42 WeakPolarHBondContact O-CB 3.38Å; S38-R42 PolarHBondContact O-N 3.17Å; Y39-R42 PolarHBondContact O-N 3.27Å; F40-R42 PolarHBondContact O-N 2.75Å
43E80.8Confident82.7Confident114 Ų11467.8 Ų67.853%0.53337%0.37SS..THydrogen-bonded Turntrans-94.98.3-178.1-57.6-62.8139.200113.6Y39 F40 G45Y39-E43 HydrophobicContact CD1-CG 4.05Å; Y39-E43 HydrophobicContact CE1-CB 4.27Å; Y39-E43 HydrophobicContact CE1-CG 3.56Å; Y39-E43 HydrophobicContact CE2-CG 4.17Å; Y39-E43 WeakPolarHBondContact O-CG 3.31Å; Y39-E43 PolarHBondContact O-N 2.68Å; F40-E43 PolarHBondContact O-N 3.49Å; E43-G45 PolarHBondContact O-N 3.45Å
44G77.5Confident82.7Confident73 Ų7366.5 Ų66.575%0.75336%0.361SS*.THydrogen-bonded Turntrans71.824.117900000115.3F40 I41F40-G44 CarbonylContact O-C 3.58Å; F40-G44 PolarHBondContact O-N 2.93Å; F40-G44 VanDerWaalsContact O-N 3.08Å; I41-G44 PolarHBondContact O-N 3.08Å
45G74.8Confident82.5Confident34 Ų3462.3 Ų62.335%0.35135%0.349SS..  trans-87161.7175.600000114.4F40 E43 V47F40-G45 WeakPolarHBondContact O-CA 3.31Å; F40-G45 PolarHBondContact O-N 3.47Å; E43-G45 PolarHBondContact O-N 3.45Å; G45-V47 PolarHBondContact O-N 3.27Å
46N79.7Confident82.3Confident84 Ų8465.3 Ų65.345%0.44936%0.363SS..  trans-81.3116179.1-176.9-4.3000111.8F40 E48 T49F40-N46 WeakPolarHBondContact CD1-O 2.94Å; N46-E48 PolarHBondContact O-N 2.77Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 WeakPolarHBondContact OD1-CG 3.33Å; N46-E48 PolarHBondContact OD1-N 3.08Å; N46-T49 HydrophobicContact CB-CG2 4.11Å; N46-T49 PolarHBondContact O-N 2.77Å; N46-T49 PolarHBondContact O-OG1 2.73Å
47V80.9Confident82.3Confident55 Ų5565.3 Ų65.333%0.33336%0.363SS..G310 helixtrans-57.6-31.5178.4-171.30000112.8E37 I41 G45 T49 V50E37-V47 HydrophobicContact CB-CG1 4.11Å; E37-V47 HydrophobicContact CG-CG1 3.75Å; I41-V47 HydrophobicContact CD1-CG2 4.23Å; I41-V47 HydrophobicContact CG1-CG2 3.68Å; G45-V47 PolarHBondContact O-N 3.27Å; V47-T49 PolarHBondContact O-N 2.75Å; V47-T49 VanDerWaalsContact O-N 3.11Å; V47-V50 WeakPolarHBondContact O-CB 3.32Å; V47-V50 VanDerWaalsContact O-CG2 3.27Å; V47-V50 WeakPolarHBondContact O-CG2 3.09Å; V47-V50 PolarHBondContact O-N 3.23Å; V47-V50 VanDerWaalsContact O-N 3.09Å
48E78.8Confident82.2Confident167 Ų16764.7 Ų64.778%0.7836%0.361SS*.G310 helixtrans-63.6-19.8177.6-60.3-179.5159.300112.9N46N46-E48 PolarHBondContact O-N 2.77Å; N46-E48 WeakPolarHBondContact OD1-CB 3.36Å; N46-E48 WeakPolarHBondContact OD1-CG 3.33Å; N46-E48 PolarHBondContact OD1-N 3.08Å
49T80.4Confident82Confident55 Ų5565.2 Ų65.234%0.33737%0.365SS..G310 helixtrans-90.2-4179.567.30000113.5F40 N46 V47 G51 V52 F53F40-T49 VanDerWaalsContact CE1-OG1 3.29Å; F40-T49 WeakPolarHBondContact CE1-OG1 3.48Å; N46-T49 HydrophobicContact CB-CG2 4.11Å; N46-T49 PolarHBondContact O-N 2.77Å; N46-T49 PolarHBondContact O-OG1 2.73Å; V47-T49 PolarHBondContact O-N 2.75Å; V47-T49 VanDerWaalsContact O-N 3.11Å; T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.09Å; T49-V52 CarbonylContact O-C 3.59Å; T49-V52 WeakPolarHBondContact O-CA 3.5Å; T49-V52 WeakPolarHBondContact O-CB 3.37Å; T49-V52 PolarHBondContact O-N 3.02Å; T49-F53 PolarHBondContact O-N 2.66Å
50V84.3Confident81.6Confident3 Ų366 Ų662%0.01837%0.37CS..Hα-helixtrans-58.8-42.8-179.8169.10000111.9T33 C36 E37 F40 V47 V52 F53 L54T33-V50 HydrophobicContact CG2-CG1 4.09Å; C36-V50 HydrophobicContact CB-CB 4.48Å; C36-V50 HydrophobicContact CB-CG1 3.5Å; C36-V50 HydrophobicContact CB-CG2 4.26Å; E37-V50 HydrophobicContact CG-CB 4.4Å; E37-V50 HydrophobicContact CG-CG1 4.21Å; E37-V50 HydrophobicContact CG-CG2 4.06Å; F40-V50 HydrophobicContact CB-CG2 4.36Å; F40-V50 HydrophobicContact CD1-CG2 4.28Å; F40-V50 HydrophobicContact CD2-CG2 4.28Å; F40-V50 HydrophobicContact CG-CG2 4.05Å; V47-V50 WeakPolarHBondContact O-CB 3.32Å; V47-V50 VanDerWaalsContact O-CG2 3.27Å; V47-V50 WeakPolarHBondContact O-CG2 3.09Å; V47-V50 PolarHBondContact O-N 3.23Å; V47-V50 VanDerWaalsContact O-N 3.09Å; V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 PolarHBondContact O-N 3.46Å; V50-F53 WeakPolarHBondContact O-CB 3.42Å; V50-F53 PolarHBondContact O-N 2.81Å; V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 PolarHBondContact O-N 2.64Å
51G80.9Confident81.6Confident39 Ų3965.2 Ų65.240%0.40237%0.369SS..Hα-helixtrans-63.1-36.5176.300000112.7T49 E55T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.09Å; G51-E55 WeakPolarHBondContact O-CB 3.44Å; G51-E55 WeakPolarHBondContact O-CG 3.5Å; G51-E55 PolarHBondContact O-N 3.39Å; G51-E55 VanDerWaalsContact O-N 3.11Å
52V81.7Confident81.6Confident83 Ų8359.6 Ų59.650%0.50334%0.341SS..Hα-helixtrans-69.3-38.3174.8-177.50000110.8T49 V50 F56T49-V52 CarbonylContact O-C 3.59Å; T49-V52 WeakPolarHBondContact O-CA 3.5Å; T49-V52 WeakPolarHBondContact O-CB 3.37Å; T49-V52 PolarHBondContact O-N 3.02Å; V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 PolarHBondContact O-N 3.46Å; V52-F56 VanDerWaalsContact O-CB 3.24Å; V52-F56 WeakPolarHBondContact O-CB 3.25Å; V52-F56 PolarHBondContact O-N 3.34Å
53F85.1Confident81.6Confident24 Ų2453.7 Ų53.711%0.10532%0.319CS..Hα-helixtrans-66.2-44.7177177.6-100.2000112.4L12 I15 F40 T49 V50 F56 I57L12-F53 HydrophobicContact CD1-CE2 3.87Å; L12-F53 HydrophobicContact CD1-CZ 4.26Å; I15-F53 HydrophobicContact CB-CZ 4.5Å; I15-F53 HydrophobicContact CG2-CE1 4.1Å; I15-F53 HydrophobicContact CG2-CE2 4.49Å; I15-F53 HydrophobicContact CG2-CZ 3.58Å; F40-F53 HydrophobicContact CE2-CB 4.5Å; F40-F53 HydrophobicContact CE2-CD1 4.16Å; F40-F53 HydrophobicContact CE2-CG 4.13Å; F40-F53 HydrophobicContact CZ-CB 3.91Å; F40-F53 HydrophobicContact CZ-CD1 4.34Å; F40-F53 HydrophobicContact CZ-CD2 4.11Å; F40-F53 AromaticContact CZ-CG 3.85Å; F40-F53 HydrophobicContact CZ-CG 3.85Å; T49-F53 PolarHBondContact O-N 2.66Å; V50-F53 WeakPolarHBondContact O-CB 3.42Å; V50-F53 PolarHBondContact O-N 2.81Å; F53-F56 WeakPolarHBondContact O-CB 3.31Å; F53-F56 PolarHBondContact O-N 3.12Å; F53-I57 HydrophobicContact CE1-CD1 4.34Å; F53-I57 HydrophobicContact CE1-CG2 4.2Å; F53-I57 HydrophobicContact CE2-CG2 4.15Å; F53-I57 HydrophobicContact CZ-CG2 3.86Å; F53-I57 PolarHBondContact O-N 3.22Å
54L84.8Confident81.7Confident12 Ų1253.3 Ų53.36%0.06331%0.314CS..Hα-helixtrans-63.5-44.2176.5-74.1177000111.6L29 A32 T33 V50 F56 I57 M58L29-L54 HydrophobicContact CD1-CD1 4.22Å; A32-L54 HydrophobicContact CB-CD2 4.31Å; T33-L54 HydrophobicContact CG2-CD1 4.49Å; T33-L54 WeakPolarHBondContact OG1-CD1 3.44Å; V50-L54 HydrophobicContact CG1-CD1 4.26Å; V50-L54 HydrophobicContact CG1-CG 4.5Å; V50-L54 PolarHBondContact O-N 2.64Å; L54-F56 VanDerWaalsContact C-N 3.27Å; L54-F56 PolarHBondContact O-N 2.88Å; L54-I57 HydrophobicContact CD2-CD1 3.89Å; L54-I57 WeakPolarHBondContact O-CG1 3.46Å; L54-I57 PolarHBondContact O-N 3.43Å; L54-M58 WeakPolarHBondContact O-CB 3.26Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.24Å; L54-M58 PolarHBondContact O-N 3.01Å
55E80.5Confident81.8Confident88 Ų8854 Ų5441%0.41130%0.297SS..Hα-helixtrans-61.7-37.6172.7-78.4178.4-149.400112.5G51 M58 S59 K675G51-E55 WeakPolarHBondContact O-CB 3.44Å; G51-E55 WeakPolarHBondContact O-CG 3.5Å; G51-E55 PolarHBondContact O-N 3.39Å; G51-E55 VanDerWaalsContact O-N 3.11Å; E55-M58 HydrophobicContact CB-CE 4.45Å; E55-M58 HydrophobicContact CG-CE 4.07Å; E55-M58 PolarHBondContact O-N 3.29Å; E55-S59 VanDerWaalsContact O-CB 3.24Å; E55-S59 WeakPolarHBondContact O-CB 3.13Å; E55-S59 PolarHBondContact O-N 3.08Å; E55-S59 PolarHBondContact O-OG 2.82Å; E55-K675 VanDerWaalsContact CD-NZ 3.34Å; E55-K675 WeakPolarHBondContact OE1-CE 3.4Å; E55-K675 IonicContact OE1-NZ 3.59Å; E55-K675 PolarHBondContact OE1-NZ 3.26Å; E55-K675 WeakPolarHBondContact OE2-CE 3.11Å; E55-K675 IonicContact OE2-NZ 2.85Å; E55-K675 PolarHBondContact OE2-NZ 3.1Å
56F83.5Confident81.2Confident88 Ų8855.8 Ų55.839%0.38630%0.301SS..Hα-helixtrans-61.4-49.8176.7174.5-107.6000111.5L12 V52 F53 L54 M58 S59 L60L12-F56 HydrophobicContact CD1-CE1 4.22Å; L12-F56 HydrophobicContact CD2-CE1 3.95Å; V52-F56 VanDerWaalsContact O-CB 3.24Å; V52-F56 WeakPolarHBondContact O-CB 3.25Å; V52-F56 PolarHBondContact O-N 3.34Å; F53-F56 WeakPolarHBondContact O-CB 3.31Å; F53-F56 PolarHBondContact O-N 3.12Å; L54-F56 VanDerWaalsContact C-N 3.27Å; L54-F56 PolarHBondContact O-N 2.88Å; F56-M58 VanDerWaalsContact C-N 3.35Å; F56-M58 PolarHBondContact O-N 3.17Å; F56-S59 PolarHBondContact O-N 2.93Å; F56-S59 PolarHBondContact O-OG 3.36Å; F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CD2-CD1 4.42Å; F56-L60 HydrophobicContact CE1-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.9Å; F56-L60 HydrophobicContact CE2-CG 4.27Å; F56-L60 HydrophobicContact CZ-CD1 3.47Å; F56-L60 VanDerWaalsContact CZ-CD1 3.47Å; F56-L60 HydrophobicContact CZ-CG 4.32Å; F56-L60 WeakPolarHBondContact O-CG 3.43Å; F56-L60 PolarHBondContact O-N 2.98Å
57I85.3Confident80.1Confident2 Ų254.5 Ų54.51%0.0130%0.295CS..Hα-helixtrans-68.2-31.8178.764.4174.9000113L12 L16 F19 F53 L54 G61 F62 V63L12-I57 HydrophobicContact CD1-CG2 4.43Å; L16-I57 HydrophobicContact CD2-CG2 4.15Å; F19-I57 HydrophobicContact CD1-CD1 4.34Å; F19-I57 HydrophobicContact CE1-CD1 3.84Å; F53-I57 HydrophobicContact CE1-CD1 4.34Å; F53-I57 HydrophobicContact CE1-CG2 4.2Å; F53-I57 HydrophobicContact CE2-CG2 4.15Å; F53-I57 HydrophobicContact CZ-CG2 3.86Å; F53-I57 PolarHBondContact O-N 3.22Å; L54-I57 HydrophobicContact CD2-CD1 3.89Å; L54-I57 WeakPolarHBondContact O-CG1 3.46Å; L54-I57 PolarHBondContact O-N 3.43Å; I57-G61 PolarHBondContact O-N 2.65Å; I57-F62 HydrophobicContact CB-CD2 4.39Å; I57-F62 HydrophobicContact CG2-CD2 4.49Å; I57-F62 PolarHBondContact O-N 2.7Å; I57-F62 VanDerWaalsContact O-N 3.12Å; I57-V63 HydrophobicContact CD1-CG2 4.08Å; I57-V63 HydrophobicContact CG1-CG2 4.5Å
58M83.5Confident78.8Confident63 Ų6360.4 Ų60.431%0.3132%0.319SS..Hα-helixtrans-68.5-42.2172.4-71.5-173.7-5900111.4L54 E55 F56 L60 G61 Y75L54-M58 WeakPolarHBondContact O-CB 3.26Å; L54-M58 VanDerWaalsContact O-CG 3.27Å; L54-M58 WeakPolarHBondContact O-CG 3.24Å; L54-M58 PolarHBondContact O-N 3.01Å; E55-M58 HydrophobicContact CB-CE 4.45Å; E55-M58 HydrophobicContact CG-CE 4.07Å; E55-M58 PolarHBondContact O-N 3.29Å; F56-M58 VanDerWaalsContact C-N 3.35Å; F56-M58 PolarHBondContact O-N 3.17Å; M58-L60 VanDerWaalsContact C-N 3.27Å; M58-L60 PolarHBondContact O-N 3.45Å; M58-G61 WeakPolarHBondContact O-CA 3.5Å; M58-G61 PolarHBondContact O-N 3.45Å; M58-Y75 HydrophobicContact SD-CE1 3.96Å
59S80.6Confident77.3Confident86 Ų8658 Ų5860%0.60131%0.311SS*.Hα-helixtrans-65.3-32.1176.875.70000112.6E55 F56 G61E55-S59 VanDerWaalsContact O-CB 3.24Å; E55-S59 WeakPolarHBondContact O-CB 3.13Å; E55-S59 PolarHBondContact O-N 3.08Å; E55-S59 PolarHBondContact O-OG 2.82Å; F56-S59 PolarHBondContact O-N 2.93Å; F56-S59 PolarHBondContact O-OG 3.36Å; S59-G61 PolarHBondContact O-N 3.47Å
60L80.1Confident75.6Confident37 Ų3761.5 Ų61.519%0.19433%0.332CS..THydrogen-bonded Turntrans-75.8-7.8172.1-70.5-179.4000113F56 M58 F62 R81F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CD2-CD1 4.42Å; F56-L60 HydrophobicContact CE1-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.9Å; F56-L60 HydrophobicContact CE2-CG 4.27Å; F56-L60 HydrophobicContact CZ-CD1 3.47Å; F56-L60 VanDerWaalsContact CZ-CD1 3.47Å; F56-L60 HydrophobicContact CZ-CG 4.32Å; F56-L60 WeakPolarHBondContact O-CG 3.43Å; F56-L60 PolarHBondContact O-N 2.98Å; M58-L60 VanDerWaalsContact C-N 3.27Å; M58-L60 PolarHBondContact O-N 3.45Å; L60-F62 VanDerWaalsContact C-N 3.27Å; L60-F62 HydrophobicContact CB-CD1 4.46Å; L60-F62 HydrophobicContact CB-CD2 3.86Å; L60-F62 HydrophobicContact CB-CE1 4.35Å; L60-F62 HydrophobicContact CB-CE2 3.76Å; L60-F62 HydrophobicContact CB-CG 4.22Å; L60-F62 HydrophobicContact CB-CZ 4Å; L60-F62 HydrophobicContact CD1-CD2 4.06Å; L60-F62 HydrophobicContact CD1-CE2 3.36Å; L60-F62 HydrophobicContact CD1-CZ 3.88Å; L60-F62 HydrophobicContact CG-CE2 4.21Å; L60-F62 PolarHBondContact O-N 2.94Å; L60-R81 VanDerWaalsContact C-NH2 3.33Å; L60-R81 PolarHBondContact O-NE 2.91Å; L60-R81 PolarHBondContact O-NH2 3.44Å
61G82.6Confident73.7Confident10 Ų1069.4 Ų69.410%0.10337%0.366CS..THydrogen-bonded Turntrans68.418.9179.900000114.8I57 M58 S59 V63 N78 R81I57-G61 PolarHBondContact O-N 2.65Å; M58-G61 WeakPolarHBondContact O-CA 3.5Å; M58-G61 PolarHBondContact O-N 3.45Å; S59-G61 PolarHBondContact O-N 3.47Å; G61-V63 PolarHBondContact O-N 3.36Å; G61-N78 VanDerWaalsContact O-CB 3.23Å; G61-N78 WeakPolarHBondContact O-CB 3.45Å; G61-R81 WeakPolarHBondContact O-CD 3.34Å
62F84.7Confident72.4Confident0 Ų072.6 Ų72.60%037%0.369CS..SBendtrans-71.5-22.1173.1-60.5-32.1000112.4L12 L16 I57 L60 F77 N78 R81 I82 F85 F86L12-F62 HydrophobicContact CD2-CE2 4.31Å; L16-F62 HydrophobicContact CD1-CD2 3.5Å; L16-F62 HydrophobicContact CD1-CE2 3.72Å; L16-F62 HydrophobicContact CD1-CG 4.18Å; L16-F62 HydrophobicContact CD2-CB 4.45Å; L16-F62 HydrophobicContact CD2-CD2 4.28Å; I57-F62 HydrophobicContact CB-CD2 4.39Å; I57-F62 HydrophobicContact CG2-CD2 4.49Å; I57-F62 PolarHBondContact O-N 2.7Å; I57-F62 VanDerWaalsContact O-N 3.12Å; L60-F62 VanDerWaalsContact C-N 3.27Å; L60-F62 HydrophobicContact CB-CD1 4.46Å; L60-F62 HydrophobicContact CB-CD2 3.86Å; L60-F62 HydrophobicContact CB-CE1 4.35Å; L60-F62 HydrophobicContact CB-CE2 3.76Å; L60-F62 HydrophobicContact CB-CG 4.22Å; L60-F62 HydrophobicContact CB-CZ 4Å; L60-F62 HydrophobicContact CD1-CD2 4.06Å; L60-F62 HydrophobicContact CD1-CE2 3.36Å; L60-F62 HydrophobicContact CD1-CZ 3.88Å; L60-F62 HydrophobicContact CG-CE2 4.21Å; L60-F62 PolarHBondContact O-N 2.94Å; F62-F77 CarbonylContact O-C 3.59Å; F62-F77 WeakPolarHBondContact O-CA 2.89Å; F62-N78 PolarHBondContact O-N 3.4Å; F62-R81 HydrophobicContact CD1-CG 4.28Å; F62-R81 HydrophobicContact CE1-CG 4.46Å; F62-I82 HydrophobicContact CB-CD1 4.19Å; F62-I82 HydrophobicContact CB-CG1 3.82Å; F62-I82 HydrophobicContact CD1-CG1 3.67Å; F62-I82 HydrophobicContact CE1-CG1 4.46Å; F62-I82 HydrophobicContact CG-CG1 3.88Å; F62-F85 HydrophobicContact CE1-CB 3.68Å; F62-F85 HydrophobicContact CE1-CD1 4.22Å; F62-F85 HydrophobicContact CE1-CD2 4.23Å; F62-F85 AromaticContact CE1-CG 3.81Å; F62-F85 HydrophobicContact CE1-CG 3.81Å; F62-F85 HydrophobicContact CZ-CB 3.96Å; F62-F85 AromaticContact CZ-CD1 3.59Å; F62-F85 HydrophobicContact CZ-CD1 3.59Å; F62-F85 HydrophobicContact CZ-CD2 4.02Å; F62-F85 HydrophobicContact CZ-CE1 4Å; F62-F85 HydrophobicContact CZ-CE2 4.4Å; F62-F85 AromaticContact CZ-CG 3.59Å; F62-F85 HydrophobicContact CZ-CG 3.59Å; F62-F85 HydrophobicContact CZ-CZ 4.38Å; F62-F86 HydrophobicContact CE2-CE2 4.28Å; F62-F86 HydrophobicContact CZ-CE2 4.01Å; F62-F86 HydrophobicContact CZ-CZ 4.44Å
63V84.3Confident71.5Confident10 Ų1071 Ų716%0.06136%0.362CS..EExtended strand (participates in β ladder)trans-128.6132.6174.41780000108F27 I57 G61 Y75 Y76 F77F27-V63 HydrophobicContact CE1-CG1 4.38Å; F27-V63 HydrophobicContact CE2-CG1 4.16Å; F27-V63 HydrophobicContact CZ-CB 4.43Å; F27-V63 HydrophobicContact CZ-CG1 3.5Å; F27-V63 HydrophobicContact CZ-CG2 4Å; I57-V63 HydrophobicContact CD1-CG2 4.08Å; I57-V63 HydrophobicContact CG1-CG2 4.5Å; G61-V63 PolarHBondContact O-N 3.36Å; V63-Y75 HydrophobicContact CG1-CD1 3.88Å; V63-Y75 HydrophobicContact CG1-CG 4.28Å; V63-Y76 CarbonylContact C-O 3.54Å; V63-Y76 VanDerWaalsContact CA-O 3.26Å; V63-Y76 WeakPolarHBondContact CA-O 3.22Å; V63-F77 HydrophobicContact CG2-CD1 3.84Å; V63-F77 HydrophobicContact CG2-CE1 3.89Å
64Y81.6Confident70.8Confident107 Ų10775.6 Ų75.642%0.4238%0.379SS..EExtended strand (participates in β ladder)trans-128.5154.9177.965.6-75.6000110.9V66 Y75 Y76 N78Y64-V66 HydrophobicContact CD2-CG2 3.31Å; Y64-V66 HydrophobicContact CE2-CG2 3.05Å; Y64-V66 HydrophobicContact CG-CG2 4.48Å; Y64-Y75 CarbonylContact O-C 3.59Å; Y64-Y75 WeakPolarHBondContact O-CA 3.41Å; Y64-Y76 VanDerWaalsContact CD1-O 3.26Å; Y64-Y76 WeakPolarHBondContact CD1-O 3.48Å; Y64-Y76 VanDerWaalsContact CZ-CB 3.47Å; Y64-Y76 PolarHBondContact N-O 3.42Å; Y64-Y76 PolarHBondContact O-N 3.32Å; Y64-N78 HydrophobicContact CD1-CB 3.78Å; Y64-N78 HydrophobicContact CE1-CB 3.98Å
65Q79.2Confident70.7Confident87 Ų8776.1 Ų76.141%0.40738%0.38SS..EExtended strand (participates in β ladder)trans-101.2128.3-179.3-177.3-176.6-12.500108.9S73 R74 Y75Q65-S73 PolarHBondContact NE2-OG 3.28Å; Q65-S73 VanDerWaalsContact NE2-OG 3.13Å; Q65-R74 WeakPolarHBondContact CA-O 3.31Å; Q65-Y75 HydrophobicContact CB-CD1 4.21Å; Q65-Y75 HydrophobicContact CB-CE1 4.1Å; Q65-Y75 HydrophobicContact CG-CE1 4.46Å
66V63.3Low70.8Confident71 Ų7174.3 Ų74.343%0.4337%0.37SS..EExtended strand (participates in β ladder)trans-112.1-24.9-174.3-179.90000114.1Y64 R74 Y76Y64-V66 HydrophobicContact CD2-CG2 3.31Å; Y64-V66 HydrophobicContact CE2-CG2 3.05Å; Y64-V66 HydrophobicContact CG-CG2 4.48Å; V66-R74 PolarHBondContact N-O 3.1Å; V66-R74 VanDerWaalsContact N-O 3.1Å; V66-Y76 HydrophobicContact CB-CD2 3.59Å; V66-Y76 HydrophobicContact CB-CE2 3.49Å; V66-Y76 VanDerWaalsContact CB-CE2 3.49Å; V66-Y76 HydrophobicContact CG1-CE2 4.25Å; V66-Y76 HydrophobicContact CG2-CD2 3.32Å; V66-Y76 HydrophobicContact CG2-CE2 3.76Å; V66-Y76 HydrophobicContact CG2-CG 3.9Å
67D56.6Low70.8Confident58 Ų5870.5 Ų70.531%0.3135%0.353SS..EExtended strand (participates in β ladder)trans-126.5124.4-178.7-71.3-37.4000111.8R74D67-R74 HydrophobicContact CB-CB 4.4Å; D67-R74 IonicContact OD2-NH1 3.11Å
68Q53.2Low70.7Confident179 Ų17972.5 Ų72.584%0.83636%0.364SS*.EExtended strand (participates in β ladder)trans-95.766.8163.1-69.6-173.59.100109.4
69N46.4Very low70.6Confident116 Ų11672.1 Ų72.162%0.6237%0.365SS*.EExtended strand (participates in β ladder)trans-76.4131.3157.7-109.1-31.9000107.5F71 F72N69-F71 PolarHBondContact O-N 3.03Å; N69-F72 CarbonylContact O-C 3.57Å; N69-F72 PolarHBondContact O-N 3.35Å
70V46.2Very low70.5Confident129 Ų12974 Ų7478%0.78236%0.364SS*.THydrogen-bonded Turntrans-49.4-22-173.8-178.70000113.5
71F43.3Very low70.5Confident168 Ų16877.5 Ų77.574%0.73738%0.375SS*.THydrogen-bonded Turntrans-105-19.3-178.4-61.7-76.5000115.1N69N69-F71 PolarHBondContact O-N 3.03Å
72F53Low70.4Confident107 Ų10777.1 Ų77.147%0.46937%0.37SS..EExtended strand (participates in β ladder)trans-153.5114.2-172.3-57.4-74.4000112.8R28 N69R28-F72 VanDerWaalsContact NH2-CD1 3.31Å; R28-F72 VanDerWaalsContact NH2-CE1 3.29Å; N69-F72 CarbonylContact O-C 3.57Å; N69-F72 PolarHBondContact O-N 3.35Å
73S63.1Low70.1Confident50 Ų5082.2 Ų82.235%0.3539%0.394SS..EExtended strand (participates in β ladder)trans-77.7124.6165.5-54.70000110.4Q65Q65-S73 PolarHBondContact NE2-OG 3.28Å; Q65-S73 VanDerWaalsContact NE2-OG 3.13Å
74R72.1Confident69.8Low120 Ų12088.7 Ų88.745%0.45342%0.424SS..EExtended strand (participates in β ladder)trans-101.3130.9173.6-74.5178.4174.9176-1.3110.7P26 Q65 V66 D67 Y76P26-R74 HydrophobicContact CB-CB 3.77Å; P26-R74 HydrophobicContact CB-CG 3.97Å; P26-R74 HydrophobicContact CG-CG 4.34Å; Q65-R74 WeakPolarHBondContact CA-O 3.31Å; V66-R74 PolarHBondContact N-O 3.1Å; V66-R74 VanDerWaalsContact N-O 3.1Å; D67-R74 HydrophobicContact CB-CB 4.4Å; D67-R74 IonicContact OD2-NH1 3.11Å; R74-Y76 HydrophobicContact CB-CE2 4.02Å
75Y81.7Confident69.6Low22 Ų2286.8 Ų86.89%0.08642%0.418CS..EExtended strand (participates in β ladder)trans-110.4143.9179.9-65.3-95.8000110.9P26 F27 L29 M58 V63 Y64 Q65P26-Y75 VanDerWaalsContact CA-O 3.28Å; P26-Y75 WeakPolarHBondContact CA-O 3.37Å; F27-Y75 WeakPolarHBondContact CD1-O 3.47Å; F27-Y75 HydrophobicContact CE2-CG 4.35Å; F27-Y75 PolarHBondContact N-O 3.44Å; F27-Y75 PolarHBondContact O-N 2.65Å; L29-Y75 HydrophobicContact CB-CD2 4.17Å; L29-Y75 HydrophobicContact CB-CE2 3.56Å; L29-Y75 HydrophobicContact CD1-CE1 4.45Å; L29-Y75 HydrophobicContact CD1-CE2 4.39Å; L29-Y75 HydrophobicContact CG-CE2 4.42Å; M58-Y75 HydrophobicContact SD-CE1 3.96Å; V63-Y75 HydrophobicContact CG1-CD1 3.88Å; V63-Y75 HydrophobicContact CG1-CG 4.28Å; Y64-Y75 CarbonylContact O-C 3.59Å; Y64-Y75 WeakPolarHBondContact O-CA 3.41Å; Q65-Y75 HydrophobicContact CB-CD1 4.21Å; Q65-Y75 HydrophobicContact CB-CE1 4.1Å; Q65-Y75 HydrophobicContact CG-CE1 4.46Å
76Y82.2Confident69.5Low50 Ų5082.8 Ų82.820%0.19640%0.399CS..EExtended strand (participates in β ladder)trans-128.5145.2-177-70.1-103.1000109.6P26 V63 Y64 V66 R74P26-Y76 HydrophobicContact CB-CD2 4.35Å; P26-Y76 HydrophobicContact CB-CE1 4.11Å; P26-Y76 HydrophobicContact CB-CE2 3.72Å; V63-Y76 CarbonylContact C-O 3.54Å; V63-Y76 VanDerWaalsContact CA-O 3.26Å; V63-Y76 WeakPolarHBondContact CA-O 3.22Å; Y64-Y76 VanDerWaalsContact CD1-O 3.26Å; Y64-Y76 WeakPolarHBondContact CD1-O 3.48Å; Y64-Y76 VanDerWaalsContact CZ-CB 3.47Å; Y64-Y76 PolarHBondContact N-O 3.42Å; Y64-Y76 PolarHBondContact O-N 3.32Å; V66-Y76 HydrophobicContact CB-CD2 3.59Å; V66-Y76 HydrophobicContact CB-CE2 3.49Å; V66-Y76 VanDerWaalsContact CB-CE2 3.49Å; V66-Y76 HydrophobicContact CG1-CE2 4.25Å; V66-Y76 HydrophobicContact CG2-CD2 3.32Å; V66-Y76 HydrophobicContact CG2-CE2 3.76Å; V66-Y76 HydrophobicContact CG2-CG 3.9Å; R74-Y76 HydrophobicContact CB-CE2 4.02Å
77F84Confident69.8Low9 Ų982 Ų824%0.03940%0.397CS..EExtended strand (participates in β ladder)trans-78.1130.2170.5-70.4-76.9000110.4F19 Q20 F23 S25 F27 F62 V63 V79 I82F19-F77 HydrophobicContact CB-CZ 4.28Å; F19-F77 AromaticContact CD1-CE1 3.78Å; F19-F77 HydrophobicContact CD1-CE1 3.78Å; F19-F77 AromaticContact CD1-CZ 3.8Å; F19-F77 HydrophobicContact CD1-CZ 3.8Å; F19-F77 AromaticContact CD2-CZ 3.92Å; F19-F77 HydrophobicContact CD2-CZ 3.92Å; F19-F77 HydrophobicContact CE1-CE1 4.05Å; F19-F77 AromaticContact CE1-CZ 3.99Å; F19-F77 HydrophobicContact CE1-CZ 3.99Å; F19-F77 HydrophobicContact CE2-CZ 4.09Å; F19-F77 HydrophobicContact CG-CE1 4.1Å; F19-F77 AromaticContact CG-CZ 3.72Å; F19-F77 HydrophobicContact CG-CZ 3.72Å; F19-F77 HydrophobicContact CZ-CZ 4.1Å; Q20-F77 HydrophobicContact CB-CE2 4.45Å; Q20-F77 HydrophobicContact CG-CD2 4.32Å; F23-F77 HydrophobicContact CB-CE2 4.23Å; S25-F77 PolarHBondContact OG-N 3.11Å; F27-F77 HydrophobicContact CD1-CD2 4.21Å; F27-F77 AromaticContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CE2 3.78Å; F27-F77 HydrophobicContact CD1-CZ 4.37Å; F27-F77 HydrophobicContact CE1-CD1 4.45Å; F27-F77 AromaticContact CE1-CD2 3.6Å; F27-F77 HydrophobicContact CE1-CD2 3.6Å; F27-F77 HydrophobicContact CE1-CE1 4.23Å; F27-F77 AromaticContact CE1-CE2 3.32Å; F27-F77 HydrophobicContact CE1-CE2 3.32Å; F27-F77 HydrophobicContact CE1-CG 4.17Å; F27-F77 AromaticContact CE1-CZ 3.66Å; F27-F77 HydrophobicContact CE1-CZ 3.66Å; F27-F77 HydrophobicContact CZ-CE1 4.29Å; F27-F77 HydrophobicContact CZ-CE2 4.09Å; F27-F77 AromaticContact CZ-CZ 3.95Å; F27-F77 HydrophobicContact CZ-CZ 3.95Å; F62-F77 CarbonylContact O-C 3.59Å; F62-F77 WeakPolarHBondContact O-CA 2.89Å; V63-F77 HydrophobicContact CG2-CD1 3.84Å; V63-F77 HydrophobicContact CG2-CE1 3.89Å; F77-V79 PolarHBondContact O-N 3.05Å; F77-I82 HydrophobicContact CB-CD1 4.5Å; F77-I82 HydrophobicContact CD1-CD1 4.27Å
78N83.6Confident70Confident43 Ų4384.8 Ų84.823%0.2342%0.416CS..  trans-84.886.6168.7-170.1-29.6000108.7G61 F62 Y64 E80 R81 I82G61-N78 VanDerWaalsContact O-CB 3.23Å; G61-N78 WeakPolarHBondContact O-CB 3.45Å; F62-N78 PolarHBondContact O-N 3.4Å; Y64-N78 HydrophobicContact CD1-CB 3.78Å; Y64-N78 HydrophobicContact CE1-CB 3.98Å; N78-E80 VanDerWaalsContact C-N 3.31Å; N78-E80 PolarHBondContact O-N 3.5Å; N78-E80 PolarHBondContact OD1-N 2.96Å; N78-R81 HydrophobicContact CB-CB 3.98Å; N78-R81 PolarHBondContact O-N 3.19Å; N78-R81 VanDerWaalsContact OD1-CB 3.31Å; N78-R81 WeakPolarHBondContact OD1-CB 3.5Å; N78-R81 PolarHBondContact OD1-N 3Å; N78-I82 VanDerWaalsContact O-CG1 3.32Å; N78-I82 WeakPolarHBondContact O-CG1 3.37Å; N78-I82 PolarHBondContact O-N 2.85Å
79V81.1Confident70.2Confident55 Ų5579 Ų7933%0.33339%0.388SS..Hα-helixtrans-60.3-42.9-177.1-174.90000110.8F77 R81 I82 E83F77-V79 PolarHBondContact O-N 3.05Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 3.22Å; V79-I82 PolarHBondContact O-N 3.31Å; V79-E83 HydrophobicContact CG1-CG 4.35Å; V79-E83 WeakPolarHBondContact O-CB 3.25Å; V79-E83 WeakPolarHBondContact O-CG 3.21Å; V79-E83 PolarHBondContact O-N 3.44Å
80E78.3Confident70.4Confident127 Ų12775.4 Ų75.459%0.59337%0.371SS*.Hα-helixtrans-57.4-45.2177.9-62.9178176.600111.6N78 E83 E84 Q119N78-E80 VanDerWaalsContact C-N 3.31Å; N78-E80 PolarHBondContact O-N 3.5Å; N78-E80 PolarHBondContact OD1-N 2.96Å; E80-E83 PolarHBondContact O-N 3.49Å; E80-E84 VanDerWaalsContact O-CB 3.29Å; E80-E84 WeakPolarHBondContact O-CB 3.43Å; E80-E84 PolarHBondContact O-N 2.82Å; E80-Q119 PolarHBondContact OE1-NE2 2.83Å
81R79.4Confident70.4Confident110 Ų11080.2 Ų80.242%0.41538%0.376SS..Hα-helixtrans-72.9-32.3-179.8-171157.9173.8177.8-3.7113.1L60 G61 F62 N78 V79 F85L60-R81 VanDerWaalsContact C-NH2 3.33Å; L60-R81 PolarHBondContact O-NE 2.91Å; L60-R81 PolarHBondContact O-NH2 3.44Å; G61-R81 WeakPolarHBondContact O-CD 3.34Å; F62-R81 HydrophobicContact CD1-CG 4.28Å; F62-R81 HydrophobicContact CE1-CG 4.46Å; N78-R81 HydrophobicContact CB-CB 3.98Å; N78-R81 PolarHBondContact O-N 3.19Å; N78-R81 VanDerWaalsContact OD1-CB 3.31Å; N78-R81 WeakPolarHBondContact OD1-CB 3.5Å; N78-R81 PolarHBondContact OD1-N 3Å; V79-R81 VanDerWaalsContact C-N 3.33Å; V79-R81 PolarHBondContact O-N 3.22Å; R81-F85 WeakPolarHBondContact O-CB 3.17Å; R81-F85 PolarHBondContact O-N 3.49Å
82I81.2Confident70.5Confident2 Ų276.6 Ų76.61%0.0137%0.371CS..Hα-helixtrans-64.3-50.1170.5-67.1167.9000108.5F62 F77 N78 V79 E84 F85 F86F62-I82 HydrophobicContact CB-CD1 4.19Å; F62-I82 HydrophobicContact CB-CG1 3.82Å; F62-I82 HydrophobicContact CD1-CG1 3.67Å; F62-I82 HydrophobicContact CE1-CG1 4.46Å; F62-I82 HydrophobicContact CG-CG1 3.88Å; F77-I82 HydrophobicContact CB-CD1 4.5Å; F77-I82 HydrophobicContact CD1-CD1 4.27Å; N78-I82 VanDerWaalsContact O-CG1 3.32Å; N78-I82 WeakPolarHBondContact O-CG1 3.37Å; N78-I82 PolarHBondContact O-N 2.85Å; V79-I82 PolarHBondContact O-N 3.31Å; I82-E84 PolarHBondContact O-N 3.06Å; I82-F85 PolarHBondContact O-N 3.18Å; I82-F86 HydrophobicContact CG2-CD2 3.81Å; I82-F86 HydrophobicContact CG2-CE2 4.19Å; I82-F86 WeakPolarHBondContact O-CB 3.37Å; I82-F86 WeakPolarHBondContact O-CD2 3.4Å; I82-F86 PolarHBondContact O-N 3.34Å
83E78.4Confident70.3Confident106 Ų10675.9 Ų75.950%0.49537%0.371SS..Hα-helixtrans-63-41.9179.2-73.1-179.318000112.6V79 E80 F85 F86 S87V79-E83 HydrophobicContact CG1-CG 4.35Å; V79-E83 WeakPolarHBondContact O-CB 3.25Å; V79-E83 WeakPolarHBondContact O-CG 3.21Å; V79-E83 PolarHBondContact O-N 3.44Å; E80-E83 PolarHBondContact O-N 3.49Å; E83-F85 PolarHBondContact O-N 2.84Å; E83-F86 CarbonylContact O-C 3.58Å; E83-F86 PolarHBondContact O-N 3.38Å; E83-S87 WeakPolarHBondContact O-CA 3.46Å; E83-S87 WeakPolarHBondContact O-CB 3.3Å; E83-S87 PolarHBondContact O-N 2.9Å
84E78.4Confident69.2Low147 Ų14780.3 Ų80.369%0.68739%0.391SS*.Hα-helixtrans-59.7-48.7174.7-172.5-170.2171.200110.9E80 I82 F86 S87E80-E84 VanDerWaalsContact O-CB 3.29Å; E80-E84 WeakPolarHBondContact O-CB 3.43Å; E80-E84 PolarHBondContact O-N 2.82Å; I82-E84 PolarHBondContact O-N 3.06Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 3.21Å; E84-S87 WeakPolarHBondContact O-CB 3.39Å; E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 PolarHBondContact O-OG 2.82Å
85F76Confident67.4Low67 Ų6777.9 Ų77.929%0.29440%0.403SS..Hα-helixtrans-67.7-32.6-177.5-168.2-88.6000113.1F62 R81 I82 E83F62-F85 HydrophobicContact CE1-CB 3.68Å; F62-F85 HydrophobicContact CE1-CD1 4.22Å; F62-F85 HydrophobicContact CE1-CD2 4.23Å; F62-F85 AromaticContact CE1-CG 3.81Å; F62-F85 HydrophobicContact CE1-CG 3.81Å; F62-F85 HydrophobicContact CZ-CB 3.96Å; F62-F85 AromaticContact CZ-CD1 3.59Å; F62-F85 HydrophobicContact CZ-CD1 3.59Å; F62-F85 HydrophobicContact CZ-CD2 4.02Å; F62-F85 HydrophobicContact CZ-CE1 4Å; F62-F85 HydrophobicContact CZ-CE2 4.4Å; F62-F85 AromaticContact CZ-CG 3.59Å; F62-F85 HydrophobicContact CZ-CG 3.59Å; F62-F85 HydrophobicContact CZ-CZ 4.38Å; R81-F85 WeakPolarHBondContact O-CB 3.17Å; R81-F85 PolarHBondContact O-N 3.49Å; I82-F85 PolarHBondContact O-N 3.18Å; E83-F85 PolarHBondContact O-N 2.84Å
86F78.9Confident65Low2 Ų286 Ų861%0.00944%0.439CS..Hα-helixtrans-103.95.6179.8-63.5-74.2000114K9 L12 F13 L16 F62 I82 E83 E84 T88 F89 C90K9-F86 WeakPolarHBondContact O-CE1 3.45Å; L12-F86 HydrophobicContact CB-CZ 4.46Å; L12-F86 HydrophobicContact CD2-CZ 4.1Å; L12-F86 HydrophobicContact CG-CZ 4.08Å; F13-F86 HydrophobicContact CB-CD1 3.83Å; F13-F86 HydrophobicContact CB-CE1 3.69Å; F13-F86 HydrophobicContact CB-CG 4.33Å; F13-F86 HydrophobicContact CB-CZ 4.08Å; F13-F86 HydrophobicContact CD2-CB 3.76Å; F13-F86 AromaticContact CD2-CD1 3.8Å; F13-F86 HydrophobicContact CD2-CD1 3.8Å; F13-F86 AromaticContact CD2-CD2 3.51Å; F13-F86 HydrophobicContact CD2-CD2 3.51Å; F13-F86 HydrophobicContact CD2-CE1 4.26Å; F13-F86 HydrophobicContact CD2-CE2 4.02Å; F13-F86 AromaticContact CD2-CG 3.4Å; F13-F86 HydrophobicContact CD2-CG 3.4Å; F13-F86 VanDerWaalsContact CD2-CG 3.4Å; F13-F86 HydrophobicContact CD2-CZ 4.36Å; F13-F86 HydrophobicContact CE2-CB 3.86Å; F13-F86 HydrophobicContact CE2-CD2 4.12Å; F13-F86 HydrophobicContact CE2-CG 4.01Å; F13-F86 HydrophobicContact CG-CD1 4.12Å; F13-F86 HydrophobicContact CG-CE1 4.41Å; F13-F86 HydrophobicContact CG-CG 4.18Å; L16-F86 HydrophobicContact CD1-CE2 3.69Å; L16-F86 HydrophobicContact CD1-CZ 4.03Å; F62-F86 HydrophobicContact CE2-CE2 4.28Å; F62-F86 HydrophobicContact CZ-CE2 4.01Å; F62-F86 HydrophobicContact CZ-CZ 4.44Å; I82-F86 HydrophobicContact CG2-CD2 3.81Å; I82-F86 HydrophobicContact CG2-CE2 4.19Å; I82-F86 WeakPolarHBondContact O-CB 3.37Å; I82-F86 WeakPolarHBondContact O-CD2 3.4Å; I82-F86 PolarHBondContact O-N 3.34Å; E83-F86 CarbonylContact O-C 3.58Å; E83-F86 PolarHBondContact O-N 3.38Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 3.21Å; F86-T88 VanDerWaalsContact C-N 3.27Å; F86-T88 PolarHBondContact O-N 3.19Å; F86-F89 CarbonylContact O-C 3.59Å; F86-F89 WeakPolarHBondContact O-CA 3.15Å; F86-F89 WeakPolarHBondContact O-CB 3.29Å; F86-F89 PolarHBondContact O-N 3.08Å; F86-C90 PolarHBondContact O-N 3.48Å
87S69.4Low62.3Low56 Ų5689 Ų8939%0.39247%0.467SS..Hα-helixtrans-55.5-39.6-177.255.30000113.3E83 E84 F89 R91E83-S87 WeakPolarHBondContact O-CA 3.46Å; E83-S87 WeakPolarHBondContact O-CB 3.3Å; E83-S87 PolarHBondContact O-N 2.9Å; E84-S87 WeakPolarHBondContact O-CB 3.39Å; E84-S87 PolarHBondContact O-N 3.18Å; E84-S87 PolarHBondContact O-OG 2.82Å; S87-F89 PolarHBondContact O-N 2.89Å; S87-R91 PolarHBondContact O-N 3.21Å
88T60.9Low59.7Low116 Ų11697 Ų9771%0.71251%0.507SS*.Hα-helixtrans-64.5-21.2172.943.80000114.2F86F86-T88 VanDerWaalsContact C-N 3.27Å; F86-T88 PolarHBondContact O-N 3.19Å
89F56.4Low57Low58 Ų58104.2 Ų104.225%0.25454%0.539SS..Hα-helixtrans-96.2-38.1179.1-153.9-104000112.1E10 F86 S87 R91 S92 I93E10-F89 HydrophobicContact CB-CE1 4.03Å; E10-F89 HydrophobicContact CB-CE2 4.43Å; E10-F89 HydrophobicContact CB-CZ 3.62Å; E10-F89 HydrophobicContact CG-CE1 3.84Å; E10-F89 HydrophobicContact CG-CZ 3.68Å; F86-F89 CarbonylContact O-C 3.59Å; F86-F89 WeakPolarHBondContact O-CA 3.15Å; F86-F89 WeakPolarHBondContact O-CB 3.29Å; F86-F89 PolarHBondContact O-N 3.08Å; S87-F89 PolarHBondContact O-N 2.89Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.48Å; F89-S92 VanDerWaalsContact O-CB 3.31Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 2.83Å; F89-I93 HydrophobicContact CD1-CD1 3.6Å; F89-I93 HydrophobicContact CE1-CD1 3.49Å; F89-I93 VanDerWaalsContact CE1-CD1 3.49Å; F89-I93 HydrophobicContact CE1-CG1 4.45Å; F89-I93 HydrophobicContact CZ-CD1 4.48Å
90C50.6Low54.4Low39 Ų39104.9 Ų104.926%0.26456%0.557SS.*Hα-helixtrans-62.3-36.6177.9-63.10000112.5F86 S92 I93 D94F86-C90 PolarHBondContact O-N 3.48Å; C90-S92 PolarHBondContact O-N 3.25Å; C90-S92 VanDerWaalsContact O-N 3.11Å; C90-I93 PolarHBondContact O-N 2.99Å; C90-D94 PolarHBondContact O-N 3.37Å
91R46.5Very low52.2Low230 Ų230106.7 Ų106.787%0.86857%0.57SS**Hα-helixtrans-64.5-14.1173.8-73.3-174-175.6175.22.5114.4S87 F89S87-R91 PolarHBondContact O-N 3.21Å; F89-R91 VanDerWaalsContact C-N 3.32Å; F89-R91 PolarHBondContact O-N 3.48Å
92S45.3Very low49.9Very low92 Ų92106.1 Ų106.164%0.64358%0.583SS**Hα-helixtrans-93.4-15.5178.7176.90000113.4F89 C90F89-S92 VanDerWaalsContact O-CB 3.31Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 2.83Å; C90-S92 PolarHBondContact O-N 3.25Å; C90-S92 VanDerWaalsContact O-N 3.11Å
93I48.2Very low47.4Very low93 Ų93115.5 Ų115.548%0.47763%0.626SS.*Hα-helixtrans-103.8-32.5-172.4-64.7176.4000111.5F89 C90 G95F89-I93 HydrophobicContact CD1-CD1 3.6Å; F89-I93 HydrophobicContact CE1-CD1 3.49Å; F89-I93 VanDerWaalsContact CE1-CD1 3.49Å; F89-I93 HydrophobicContact CE1-CG1 4.45Å; F89-I93 HydrophobicContact CZ-CD1 4.48Å; C90-I93 PolarHBondContact O-N 2.99Å; I93-G95 PolarHBondContact O-N 3.08Å; I93-G95 VanDerWaalsContact O-N 3.12Å
94D39.7Very low45.3Very low143 Ų143115.6 Ų115.677%0.76564%0.636SS**THydrogen-bonded Turntrans-81.916.5-177.9-64.8-33.2000114.5C90 K96C90-D94 PolarHBondContact O-N 3.37Å; D94-K96 VanDerWaalsContact C-N 3.33Å; D94-K96 PolarHBondContact O-N 3.41Å
95G34.4Very low43Very low68 Ų68118.1 Ų118.170%0.70165%0.645SS**THydrogen-bonded Turntrans-83.35.6179.600000115.6I93I93-G95 PolarHBondContact O-N 3.08Å; I93-G95 VanDerWaalsContact O-N 3.12Å
96K31Very low40.8Very low194 Ų194119.9 Ų119.984%0.84367%0.665SS**SBendtrans-142119.4179.7-75.9-176.9176.4177.90111.7D94D94-K96 VanDerWaalsContact C-N 3.33Å; D94-K96 PolarHBondContact O-N 3.41Å
97S25.7Very low38.4Very low111 Ų111123.9 Ų123.978%0.77670%0.699SS**  trans81.394.3155.8167.20000118.9
98M30.5Very low36.5Very low179 Ų179128.3 Ų128.388%0.88272%0.718SS**  175.7106.4106.5-100.9-82.1-167.200109.7
99E25.9Very low35.1Very low194 Ų194130.8 Ų130.891%0.90772%0.722SS**  trans-63.5147159.7-66.6164.3136.300109.9
100G27.7Very low33.7Very low68 Ų68133.8 Ų133.870%0.70175%0.75SS**  trans142.7116.1155.300000116.2
101L32.7Very low32.5Very low166 Ų166135.2 Ų135.287%0.86977%0.771SS**  trans96.973.2148.1-61.6150.8000118.9
102S30.8Very low31.7Very low98 Ų98132.1 Ų132.169%0.68577%0.77SS**  41.7107.6111.762.60000121.5
103Q29Very low30.9Very low198 Ų198138.5 Ų138.593%0.92578%0.78SS**  54.2152.3119.5-83.3-161.2-29.100124.5
104P33.8Very low29.8Very low109 Ų109139.5 Ų139.571%0.70880%0.795SS**  trans-113.5169-148.442.1-30.9000115.4
105K29.9Very low29.3Very low200 Ų200141.2 Ų141.287%0.8780%0.802SS**  trans-166.5118.1156.6-111.4169.3-174.51800115.1
106S29.2Very low28.8Very low103 Ų103141.7 Ų141.772%0.7280%0.795SS**  trans52.2130.9137.1630000124.9
107A29.1Very low28.6Very low87 Ų87139.7 Ų139.772%0.71979%0.794SS**  trans64.1133.3141.300000117.2
108D29.4Very low28.7Very low148 Ų148138.6 Ų138.679%0.79179%0.786SS**  cis-165.5165.534.7-117.8-29.1000110.4
109E30.6Very low28.5Very low169 Ų169137.7 Ų137.779%0.7978%0.78SS**  trans74.5101.1151.4-72.5-178.9160.800122.2
110S27.3Very low28.6Very low120 Ų120137.1 Ų137.184%0.83978%0.777SS**  79.3118.2123.378.20000119.5
111G26.7Very low28.6Very low69 Ų69138.2 Ų138.271%0.71177%0.767SS**  trans119106.7152.600000115.1
112I29.3Very low28.4Very low165 Ų165136.4 Ų136.485%0.84676%0.762SS**SBendtrans8692.3150.6-46.8170000115.7
113R27.6Very low28.3Very low227 Ų227139.7 Ų139.786%0.85776%0.764SS**  trans46.196.2142.8-67.5-178.2-177.1-1800.7117I115R113-I115 PolarHBondContact O-N 3.3Å
114S26Very low28.1Very low113 Ų113135.7 Ų135.779%0.7975%0.746SS**  trans-49.6106.715646.80000112.7
115I29.2Very low27.8Very low179 Ų179137.9 Ų137.992%0.91875%0.752SS**  trans-88.594.1155.1-64.5170.3000105.5R113R113-I115 PolarHBondContact O-N 3.3Å
116S24.3Very low27.6Very low78 Ų78136.3 Ų136.355%0.54575%0.752SS.*  trans-129.3132.2168.856.70000108
117N25.3Very low27.5Very low153 Ų153137 Ų13782%0.81876%0.756SS**SBendtrans89.6141.8162.5-50.3-24.8000117.2
118S28.6Very low27.5Very low87 Ų87137.2 Ų137.261%0.60875%0.751SS**  trans78.776.3174.880.10000118.9E120 D121S118-E120 PolarHBondContact O-N 2.89Å; S118-D121 PolarHBondContact OG-OD2 2.8Å
119Q26.9Very low27.5Very low161 Ų161133.1 Ų133.175%0.75273%0.733SS**SBendtrans-9156.6151.2-164.1174-15.100108.9E80E80-Q119 PolarHBondContact OE1-NE2 2.83Å
120E27.7Very low27.5Very low182 Ų182135 Ų13585%0.8574%0.739SS**  trans-137.929.6173.9-79.3-167.3153.800111.4S118S118-E120 PolarHBondContact O-N 2.89Å
121D27.2Very low27.9Very low91 Ų91132.2 Ų132.249%0.48772%0.719SS.*  trans-134.833.3-175.4-73.1-42.9000114.7S118S118-D121 PolarHBondContact OG-OD2 2.8Å
122V28.5Very low28.5Very low128 Ų128135.6 Ų135.678%0.77673%0.726SS**SBendtrans-90.80.9-176.2-173.30000113.8
123F27.9Very low29.2Very low166 Ų166129.3 Ų129.373%0.72869%0.694SS**SBendtrans-127.9-0.6177.9-90.1-84000116.3N125F123-N125 PolarHBondContact O-N 3.15Å
124E26.8Very low30.4Very low115 Ų115120.7 Ų120.754%0.53767%0.671SS.*SBendtrans-86.44.4-174.2-106.4-175-173.800115.8
125N26.8Very low32Very low155 Ų155120 Ų12083%0.82966%0.659SS**SBendtrans-139.114.8-175.3-95-37.5000117.6F123F123-N125 PolarHBondContact O-N 3.15Å
126N26Very low33.9Very low166 Ų166114.7 Ų114.789%0.88864%0.642SS**  trans-119.522.2175.8-89.3-9.9000114.2
127C26.5Very low36Very low118 Ų118112.8 Ų112.880%0.79762%0.624SS**SBendtrans-75.5122166.1-160.70000109
128C29.9Very low38.3Very low91 Ų91105.6 Ų105.662%0.61559%0.585SS**SBendtrans55.3112.8174.2-84.50000115.6K130C128-K130 PolarHBondContact O-N 3.4Å
129C29Very low40.7Very low62 Ų62105 Ų10542%0.41957%0.572SS.*  trans-41.2114.1154.5-60.90000109.3S131C129-S131 WeakPolarHBondContact CB-OG 3.48Å; C129-S131 PolarHBondContact O-N 3.01Å; C129-S131 PolarHBondContact O-OG 3.1Å
130K29.9Very low43.2Very low209 Ų209100.6 Ų100.691%0.90955%0.554SS**  trans-6233.4164.4-72.6178.2173.6173.50111.7C128 V132C128-K130 PolarHBondContact O-N 3.4Å; K130-V132 PolarHBondContact O-N 3.23Å; K130-V132 VanDerWaalsContact O-N 3.17Å
131S37Very low45.7Very low61 Ų6192.9 Ų92.943%0.42752%0.517SS..  trans-86.379.3176.457.10000108.6C129 L133C129-S131 WeakPolarHBondContact CB-OG 3.48Å; C129-S131 PolarHBondContact O-N 3.01Å; C129-S131 PolarHBondContact O-OG 3.1Å; S131-L133 PolarHBondContact O-N 3.19Å
132V38Very low48.5Very low140 Ų14088.6 Ų88.685%0.84849%0.494SS*.  trans38.145.2145.9-1590000115.2K130 A134K130-V132 PolarHBondContact O-N 3.23Å; K130-V132 VanDerWaalsContact O-N 3.17Å; V132-A134 PolarHBondContact O-N 3.39Å; V132-A134 VanDerWaalsContact O-N 3.13Å
133L44.1Very low51.2Low33 Ų3384.6 Ų84.617%0.17347%0.467CS..  trans-70.3106.1156.4-96.3134.1000103.9S131 N135 T189 Y192 I636S131-L133 PolarHBondContact O-N 3.19Å; L133-N135 PolarHBondContact O-N 3.37Å; L133-T189 HydrophobicContact CD1-CG2 4.06Å; L133-Y192 HydrophobicContact CD2-CD1 3.28Å; L133-Y192 HydrophobicContact CD2-CE1 3.23Å; L133-I636 HydrophobicContact CD1-CD1 4.34Å
134A52.8Low53.8Low46 Ų4678.1 Ų78.138%0.3844%0.439SS..  trans-50.1111.5-174.300000108.5V132 A136 K137V132-A134 PolarHBondContact O-N 3.39Å; V132-A134 VanDerWaalsContact O-N 3.13Å; A134-A136 CarbonylContact O-C 3.54Å; A134-A136 PolarHBondContact O-N 3.2Å; A134-K137 PolarHBondContact O-N 3.47Å
135N60.4Low56.5Low100 Ų10072.6 Ų72.654%0.53541%0.413SS..Hα-helixtrans-44.1-25.7-175.8-70.5-9.7000113.2L133 S138 H139 I185L133-N135 PolarHBondContact O-N 3.37Å; N135-S138 PolarHBondContact O-OG 3.24Å; N135-S138 VanDerWaalsContact O-OG 3.12Å; N135-H139 WeakPolarHBondContact O-CB 3.47Å; N135-H139 PolarHBondContact O-N 2.97Å; N135-H139 VanDerWaalsContact O-N 3.15Å; N135-I185 HydrophobicContact CB-CD1 3.97Å; N135-I185 HydrophobicContact CB-CG1 4.4Å
136A68.4Low59.4Low67 Ų6765.2 Ų65.255%0.55437%0.374SS*.Hα-helixtrans-59.9-43.1173.100000114.3A134 L140A134-A136 CarbonylContact O-C 3.54Å; A134-A136 PolarHBondContact O-N 3.2Å; A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 2.61Å
137K69.3Low62.3Low38 Ų3862 Ų6217%0.16535%0.349CS..Hα-helixtrans-71.9-49.4-177.2-76.8179.5174.61700111.5A134 H139 L140 W141 E629A134-K137 PolarHBondContact O-N 3.47Å; K137-H139 PolarHBondContact O-N 2.99Å; K137-L140 WeakPolarHBondContact O-CB 3.45Å; K137-L140 PolarHBondContact O-N 2.8Å; K137-L140 VanDerWaalsContact O-N 3.12Å; K137-W141 PolarHBondContact O-N 3.12Å; K137-E629 WeakPolarHBondContact CD-OE2 3.33Å; K137-E629 IonicContact NZ-OE1 2.73Å; K137-E629 PolarHBondContact NZ-OE1 3.43Å; K137-E629 IonicContact NZ-OE2 2.57Å; K137-E629 PolarHBondContact NZ-OE2 3.31Å
138S73.5Confident65Low1 Ų158.2 Ų58.21%0.00732%0.318CS..Hα-helixtrans-57-42.5175.947.20000111.4N135 W141 F142 G188 T189N135-S138 PolarHBondContact O-OG 3.24Å; N135-S138 VanDerWaalsContact O-OG 3.12Å; S138-W141 PolarHBondContact O-N 2.85Å; S138-F142 PolarHBondContact O-N 2.87Å; S138-G188 VanDerWaalsContact O-CA 3.25Å; S138-G188 WeakPolarHBondContact O-CA 3.49Å; S138-T189 VanDerWaalsContact CB-OG1 3.31Å; S138-T189 WeakPolarHBondContact CB-OG1 3.41Å
139H77.7Confident67.7Low74 Ų7453.9 Ų53.934%0.34329%0.288SS..Hα-helixtrans-60.3-48.1173.6-169.1-81.2000112.2N135 K137 W141 F142 E143N135-H139 WeakPolarHBondContact O-CB 3.47Å; N135-H139 PolarHBondContact O-N 2.97Å; N135-H139 VanDerWaalsContact O-N 3.15Å; K137-H139 PolarHBondContact O-N 2.99Å; H139-W141 VanDerWaalsContact C-N 3.26Å; H139-W141 PolarHBondContact O-N 3.49Å; H139-F142 WeakPolarHBondContact O-CB 3.38Å; H139-F142 PolarHBondContact O-N 2.74Å; H139-E143 WeakPolarHBondContact CE1-CG 3.37Å; H139-E143 IonicContact CE1-OE1 2.93Å; H139-E143 PolarHBondContact CE1-OE1 2.88Å; H139-E143 VanDerWaalsContact ND1-CG 3.32Å; H139-E143 WeakPolarHBondContact ND1-CG 3.41Å; H139-E143 IonicContact NE2-OE1 3.85Å; H139-E143 WeakPolarHBondContact O-CB 3.19Å; H139-E143 WeakPolarHBondContact O-CG 3.42Å; H139-E143 PolarHBondContact O-N 3.26Å
140L79.9Confident70.5Confident69 Ų6951.6 Ų51.636%0.36127%0.274SS..Hα-helixtrans-57.1-38.2176.4-75.8168.9000113A136 K137 E144 V613A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 2.61Å; K137-L140 WeakPolarHBondContact O-CB 3.45Å; K137-L140 PolarHBondContact O-N 2.8Å; K137-L140 VanDerWaalsContact O-N 3.12Å; L140-E144 VanDerWaalsContact O-CB 3.26Å; L140-E144 WeakPolarHBondContact O-CB 3.19Å; L140-E144 PolarHBondContact O-N 3.47Å; L140-V613 HydrophobicContact CD1-CG1 4.32Å
141W80.6Confident73.1Confident21 Ų2145.6 Ų45.68%0.0826%0.257CS..Hα-helixtrans-66.5-47.2175.8-84.876000112K137 S138 H139 E144 I145 Y192 S195 L602 L606 L610K137-W141 PolarHBondContact O-N 3.12Å; S138-W141 PolarHBondContact O-N 2.85Å; H139-W141 VanDerWaalsContact C-N 3.26Å; H139-W141 PolarHBondContact O-N 3.49Å; W141-E144 PolarHBondContact O-N 3.44Å; W141-I145 HydrophobicContact CE3-CD1 4.38Å; W141-I145 WeakPolarHBondContact O-CB 3.49Å; W141-I145 WeakPolarHBondContact O-CD1 3.27Å; W141-I145 WeakPolarHBondContact O-CG1 3.48Å; W141-I145 PolarHBondContact O-N 3.01Å; W141-Y192 AromaticContact CD1-CD2 3.68Å; W141-Y192 HydrophobicContact CD2-CD2 4.08Å; W141-Y192 AromaticContact CE2-CD2 3.53Å; W141-Y192 HydrophobicContact CG-CD2 4.17Å; W141-Y192 HydrophobicContact CZ2-CD2 4.08Å; W141-Y192 AromaticContact NE1-CD2 3.23Å; W141-Y192 AromaticContact NE1-CE2 3.69Å; W141-S195 WeakPolarHBondContact CH2-OG 3.31Å; W141-S195 VanDerWaalsContact CZ2-OG 3.31Å; W141-S195 WeakPolarHBondContact CZ2-OG 3.36Å; W141-S195 VanDerWaalsContact CZ3-OG 3.29Å; W141-S195 WeakPolarHBondContact CZ3-OG 3.49Å; W141-L602 HydrophobicContact CH2-CD1 4.2Å; W141-L602 HydrophobicContact CH2-CD2 4.41Å; W141-L602 HydrophobicContact CZ3-CD1 3.99Å; W141-L606 HydrophobicContact CE3-CD2 3.63Å; W141-L606 HydrophobicContact CH2-CD2 3.52Å; W141-L606 HydrophobicContact CZ2-CD2 4.5Å; W141-L606 HydrophobicContact CZ3-CD2 3.02Å; W141-L610 HydrophobicContact CD2-CD1 3.45Å; W141-L610 VanDerWaalsContact CD2-CD1 3.45Å; W141-L610 HydrophobicContact CE3-CD1 3.76Å; W141-L610 HydrophobicContact CG-CD1 4.03Å; W141-L610 HydrophobicContact CH2-CD1 3.63Å; W141-L610 HydrophobicContact CZ2-CB 4.43Å; W141-L610 HydrophobicContact CZ2-CD1 3.37Å; W141-L610 HydrophobicContact CZ2-CG 4.5Å; W141-L610 HydrophobicContact CZ3-CD1 3.84Å
142F85.8Confident75.3Confident1 Ų144.1 Ų44.10%0.00425%0.245CC..Hα-helixtrans-56-52.4174.7174.4-92.5000111.3S138 H139 E144 I145 I146 I161 M164 L184 I187 F491S138-F142 PolarHBondContact O-N 2.87Å; H139-F142 WeakPolarHBondContact O-CB 3.38Å; H139-F142 PolarHBondContact O-N 2.74Å; F142-E144 PolarHBondContact O-N 2.93Å; F142-I145 PolarHBondContact O-N 3.34Å; F142-I146 HydrophobicContact CD1-CG1 4.31Å; F142-I146 HydrophobicContact CD2-CG1 4.24Å; F142-I146 HydrophobicContact CE1-CG1 3.85Å; F142-I146 HydrophobicContact CE2-CD1 4.29Å; F142-I146 HydrophobicContact CE2-CG1 3.81Å; F142-I146 HydrophobicContact CG-CG1 4.46Å; F142-I146 HydrophobicContact CZ-CD1 4.26Å; F142-I146 HydrophobicContact CZ-CG1 3.57Å; F142-I146 WeakPolarHBondContact O-CB 3.46Å; F142-I146 WeakPolarHBondContact O-CG1 3.43Å; F142-I146 PolarHBondContact O-N 2.95Å; F142-I161 HydrophobicContact CE1-CG1 4.5Å; F142-I161 HydrophobicContact CZ-CG1 4.43Å; F142-M164 HydrophobicContact CE2-CE 3.56Å; F142-M164 HydrophobicContact CE2-SD 4.22Å; F142-M164 HydrophobicContact CZ-CE 4.15Å; F142-M164 HydrophobicContact CZ-SD 4.22Å; F142-L184 HydrophobicContact CD1-CD2 4.39Å; F142-L184 HydrophobicContact CD2-CD2 4.5Å; F142-L184 HydrophobicContact CE1-CD2 3.7Å; F142-L184 HydrophobicContact CE2-CD2 3.78Å; F142-L184 HydrophobicContact CZ-CD2 3.35Å; F142-I187 HydrophobicContact CD2-CB 4.41Å; F142-I187 HydrophobicContact CD2-CG2 3.98Å; F142-I187 HydrophobicContact CE2-CG2 4.28Å; F142-F491 HydrophobicContact CD2-CE1 4.2Å; F142-F491 HydrophobicContact CD2-CZ 4.23Å; F142-F491 HydrophobicContact CE2-CZ 4.5Å
143E84.6Confident77.4Confident44 Ų4439.1 Ų39.121%0.20621%0.213CC..Hα-helixtrans-55.7-47.6-179.5-72.5-73.2126.600112.4H139 R147 R157H139-E143 WeakPolarHBondContact CE1-CG 3.37Å; H139-E143 IonicContact CE1-OE1 2.93Å; H139-E143 PolarHBondContact CE1-OE1 2.88Å; H139-E143 VanDerWaalsContact ND1-CG 3.32Å; H139-E143 WeakPolarHBondContact ND1-CG 3.41Å; H139-E143 IonicContact NE2-OE1 3.85Å; H139-E143 WeakPolarHBondContact O-CB 3.19Å; H139-E143 WeakPolarHBondContact O-CG 3.42Å; H139-E143 PolarHBondContact O-N 3.26Å; E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.81Å; E143-R157 IonicContact OE1-CZ 3.83Å; E143-R157 IonicContact OE1-NH1 3.23Å; E143-R157 IonicContact OE1-NH2 3.02Å; E143-R157 PolarHBondContact OE1-NH2 2.83Å; E143-R157 IonicContact OE2-CZ 2.73Å; E143-R157 IonicContact OE2-NH1 3.45Å; E143-R157 PolarHBondContact OE2-NH1 2.92Å; E143-R157 IonicContact OE2-NH2 2.81Å; E143-R157 PolarHBondContact OE2-NH2 3.47Å
144E82Confident79.2Confident29 Ų2946.4 Ų46.414%0.13625%0.246CC..Hα-helixtrans-70.8-36.5-178.4-179.659.8-170.100112.1L140 W141 F142 R147 R148 L610L140-E144 VanDerWaalsContact O-CB 3.26Å; L140-E144 WeakPolarHBondContact O-CB 3.19Å; L140-E144 PolarHBondContact O-N 3.47Å; W141-E144 PolarHBondContact O-N 3.44Å; F142-E144 PolarHBondContact O-N 2.93Å; E144-R147 VanDerWaalsContact CD-NH2 3.32Å; E144-R147 IonicContact OE1-CZ 3.36Å; E144-R147 IonicContact OE1-NE 3.39Å; E144-R147 IonicContact OE1-NH2 3.62Å; E144-R147 PolarHBondContact OE1-NH2 3.28Å; E144-R147 IonicContact OE2-CZ 3.21Å; E144-R147 IonicContact OE2-NE 3.69Å; E144-R147 PolarHBondContact OE2-NE 2.71Å; E144-R147 IonicContact OE2-NH2 2.75Å; E144-R147 PolarHBondContact OE2-NH2 3.32Å; E144-R148 WeakPolarHBondContact O-CD 3.22Å; E144-R148 VanDerWaalsContact O-CG 3.25Å; E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 VanDerWaalsContact O-N 3.08Å; E144-R148 IonicContact OE1-CZ 2.78Å; E144-R148 IonicContact OE1-NE 2.67Å; E144-R148 PolarHBondContact OE1-NE 3.48Å; E144-R148 IonicContact OE1-NH2 2.77Å; E144-R148 PolarHBondContact OE1-NH2 3.49Å; E144-L610 HydrophobicContact CB-CD2 4.28Å; E144-L610 HydrophobicContact CG-CD2 4.32Å; E144-L610 HydrophobicContact CG-CG 4.5Å
145I85.3Confident80.6Confident0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-66.7-49.1175.5-70167.9000110.3W141 F142 R147 R148 L149 A191 L487 L490 F491 L606W141-I145 HydrophobicContact CE3-CD1 4.38Å; W141-I145 WeakPolarHBondContact O-CB 3.49Å; W141-I145 WeakPolarHBondContact O-CD1 3.27Å; W141-I145 WeakPolarHBondContact O-CG1 3.48Å; W141-I145 PolarHBondContact O-N 3.01Å; F142-I145 PolarHBondContact O-N 3.34Å; I145-R147 PolarHBondContact O-N 3.44Å; I145-R148 PolarHBondContact O-N 3.04Å; I145-L149 WeakPolarHBondContact O-CB 3.41Å; I145-L149 PolarHBondContact O-N 3.29Å; I145-A191 HydrophobicContact CD1-CB 3.44Å; I145-A191 VanDerWaalsContact CD1-CB 3.44Å; I145-L487 HydrophobicContact CG1-CD2 4.46Å; I145-L487 HydrophobicContact CG2-CB 4.11Å; I145-L487 HydrophobicContact CG2-CD2 4.23Å; I145-L490 HydrophobicContact CD1-CB 4.36Å; I145-L490 HydrophobicContact CD1-CD1 4.18Å; I145-F491 HydrophobicContact CB-CE1 4.16Å; I145-F491 HydrophobicContact CB-CZ 3.87Å; I145-F491 HydrophobicContact CD1-CE1 3.91Å; I145-F491 HydrophobicContact CD1-CZ 4.45Å; I145-F491 HydrophobicContact CG2-CE1 3.85Å; I145-F491 HydrophobicContact CG2-CE2 3.8Å; I145-F491 HydrophobicContact CG2-CZ 3.29Å; I145-L606 HydrophobicContact CG1-CD1 3.64Å
146I87.5Confident81.8Confident0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-64.1-41.1179.7-68.8-59.2000111.3F142 R148 L149 S150 R157 I161 M164 F491F142-I146 HydrophobicContact CD1-CG1 4.31Å; F142-I146 HydrophobicContact CD2-CG1 4.24Å; F142-I146 HydrophobicContact CE1-CG1 3.85Å; F142-I146 HydrophobicContact CE2-CD1 4.29Å; F142-I146 HydrophobicContact CE2-CG1 3.81Å; F142-I146 HydrophobicContact CG-CG1 4.46Å; F142-I146 HydrophobicContact CZ-CD1 4.26Å; F142-I146 HydrophobicContact CZ-CG1 3.57Å; F142-I146 WeakPolarHBondContact O-CB 3.46Å; F142-I146 WeakPolarHBondContact O-CG1 3.43Å; F142-I146 PolarHBondContact O-N 2.95Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.36Å; I146-L149 HydrophobicContact CD1-CD2 4.43Å; I146-L149 PolarHBondContact O-N 3.41Å; I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.23Å; I146-S150 PolarHBondContact O-OG 3.24Å; I146-R157 HydrophobicContact CG2-CG 3.79Å; I146-I161 HydrophobicContact CG2-CD1 4.36Å; I146-I161 HydrophobicContact CG2-CG1 4.11Å; I146-M164 HydrophobicContact CD1-CE 4.13Å; I146-M164 HydrophobicContact CD1-SD 3.56Å; I146-M164 VanDerWaalsContact CD1-SD 3.56Å; I146-M164 HydrophobicContact CG1-SD 4.47Å; I146-F491 HydrophobicContact CD1-CE2 3.88Å; I146-F491 HydrophobicContact CD1-CZ 3.9Å; I146-F491 HydrophobicContact CG1-CZ 4.19Å
147R85.7Confident82.6Confident97 Ų9744.8 Ų44.837%0.36622%0.217SC..Hα-helixtrans-59.2-40.1174.3-173.1-162.366.870.9-3.9111.9E143 E144 I145 S150 C151E143-R147 WeakPolarHBondContact O-CB 3.48Å; E143-R147 PolarHBondContact O-N 2.81Å; E144-R147 VanDerWaalsContact CD-NH2 3.32Å; E144-R147 IonicContact OE1-CZ 3.36Å; E144-R147 IonicContact OE1-NE 3.39Å; E144-R147 IonicContact OE1-NH2 3.62Å; E144-R147 PolarHBondContact OE1-NH2 3.28Å; E144-R147 IonicContact OE2-CZ 3.21Å; E144-R147 IonicContact OE2-NE 3.69Å; E144-R147 PolarHBondContact OE2-NE 2.71Å; E144-R147 IonicContact OE2-NH2 2.75Å; E144-R147 PolarHBondContact OE2-NH2 3.32Å; I145-R147 PolarHBondContact O-N 3.44Å; R147-S150 PolarHBondContact O-OG 2.93Å; R147-C151 PolarHBondContact O-N 2.85Å; R147-C151 PolarHBondContact O-SG 3.32Å
148R84.4Confident83.3Confident39 Ų3947.9 Ų47.915%0.14724%0.235CC..Hα-helixtrans-71.2-40.9175.9-72.9169.8-175.3-119.7-4.8111.7E144 I145 I146 S150 C151 V152 L487 G605 L606 C609E144-R148 WeakPolarHBondContact O-CD 3.22Å; E144-R148 VanDerWaalsContact O-CG 3.25Å; E144-R148 WeakPolarHBondContact O-CG 3.34Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 VanDerWaalsContact O-N 3.08Å; E144-R148 IonicContact OE1-CZ 2.78Å; E144-R148 IonicContact OE1-NE 2.67Å; E144-R148 PolarHBondContact OE1-NE 3.48Å; E144-R148 IonicContact OE1-NH2 2.77Å; E144-R148 PolarHBondContact OE1-NH2 3.49Å; I145-R148 PolarHBondContact O-N 3.04Å; I146-R148 VanDerWaalsContact C-N 3.29Å; I146-R148 PolarHBondContact O-N 3.36Å; R148-S150 VanDerWaalsContact C-N 3.33Å; R148-C151 PolarHBondContact O-N 3.31Å; R148-V152 WeakPolarHBondContact O-CB 3.35Å; R148-V152 VanDerWaalsContact O-CG2 3.24Å; R148-V152 WeakPolarHBondContact O-CG2 3.46Å; R148-V152 PolarHBondContact O-N 2.96Å; R148-L487 HydrophobicContact CB-CD1 3.78Å; R148-G605 PolarHBondContact NH1-O 2.82Å; R148-G605 VanDerWaalsContact NH2-C 3.31Å; R148-G605 PolarHBondContact NH2-O 3.2Å; R148-L606 VanDerWaalsContact CZ-CA 3.46Å; R148-C609 VanDerWaalsContact NH2-CB 3.35Å; R148-C609 PolarHBondContact NH2-SG 3.04Å
149L86.4Confident83.8Confident0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-61.5-44.7178.3-171.163000110.5I145 I146 C151 V152 M153 L160 L270 I274 A484 L487 V488I145-L149 WeakPolarHBondContact O-CB 3.41Å; I145-L149 PolarHBondContact O-N 3.29Å; I146-L149 HydrophobicContact CD1-CD2 4.43Å; I146-L149 PolarHBondContact O-N 3.41Å; L149-C151 VanDerWaalsContact C-N 3.34Å; L149-C151 PolarHBondContact O-N 2.94Å; L149-V152 PolarHBondContact O-N 3.48Å; L149-M153 HydrophobicContact CD1-CG 4.06Å; L149-M153 HydrophobicContact CD1-SD 3.82Å; L149-M153 HydrophobicContact CG-CG 4.35Å; L149-M153 HydrophobicContact CG-SD 3.96Å; L149-M153 WeakPolarHBondContact O-CB 3.24Å; L149-M153 VanDerWaalsContact O-CG 3.28Å; L149-M153 WeakPolarHBondContact O-CG 3.48Å; L149-M153 PolarHBondContact O-N 3.46Å; L149-L160 HydrophobicContact CB-CD1 4.32Å; L149-L160 HydrophobicContact CD2-CD1 4.27Å; L149-L160 HydrophobicContact CG-CD1 4.11Å; L149-L270 HydrophobicContact CD2-CD1 4.28Å; L149-L270 HydrophobicContact CD2-CD2 4.08Å; L149-I274 HydrophobicContact CD1-CD1 4.25Å; L149-A484 HydrophobicContact CD1-CB 3.94Å; L149-L487 HydrophobicContact CB-CD1 4.46Å; L149-V488 HydrophobicContact CD1-CG2 4.21Å; L149-V488 HydrophobicContact CD2-CG2 3.94Å
150S86.9Confident84.1Confident15 Ų1548.8 Ų48.811%0.10524%0.24CC..Hα-helixtrans-60.4-41.6175.470.40000112I146 R147 R148 E154 T155I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.23Å; I146-S150 PolarHBondContact O-OG 3.24Å; R147-S150 PolarHBondContact O-OG 2.93Å; R148-S150 VanDerWaalsContact C-N 3.33Å; S150-E154 WeakPolarHBondContact O-CA 3.28Å; S150-E154 PolarHBondContact O-N 3.1Å; S150-T155 WeakPolarHBondContact CB-O 3.33Å; S150-T155 PolarHBondContact O-N 2.86Å; S150-T155 VanDerWaalsContact O-N 3.12Å
151C84.7Confident84.3Confident82 Ų8246.5 Ų46.555%0.55423%0.227SC*.Hα-helixtrans-65.6-40.7174.9-69.10000113R147 R148 L149R147-C151 PolarHBondContact O-N 2.85Å; R147-C151 PolarHBondContact O-SG 3.32Å; R148-C151 PolarHBondContact O-N 3.31Å; L149-C151 VanDerWaalsContact C-N 3.34Å; L149-C151 PolarHBondContact O-N 2.94Å
152V82.8Confident84.3Confident30 Ų3048.8 Ų48.818%0.18225%0.247CC..Hα-helixtrans-72.8-33.4-178.1171.80000111.6R148 L149 N480 L483 A484R148-V152 WeakPolarHBondContact O-CB 3.35Å; R148-V152 VanDerWaalsContact O-CG2 3.24Å; R148-V152 WeakPolarHBondContact O-CG2 3.46Å; R148-V152 PolarHBondContact O-N 2.96Å; L149-V152 PolarHBondContact O-N 3.48Å; V152-N480 HydrophobicContact CG1-CB 3.96Å; V152-N480 VanDerWaalsContact CG1-O 3.3Å; V152-N480 WeakPolarHBondContact CG1-O 3.38Å; V152-L483 HydrophobicContact CG2-CD2 3.65Å; V152-L483 HydrophobicContact CG2-CG 4.24Å; V152-A484 HydrophobicContact CG1-CB 4.09Å
153M81.7Confident84Confident35 Ų3550.8 Ų50.817%0.17226%0.257CS..Hα-helixtrans-91.6-5.4-179.6-61.9-165.972.500113.8L149 T155 L160 Y273 I274L149-M153 HydrophobicContact CD1-CG 4.06Å; L149-M153 HydrophobicContact CD1-SD 3.82Å; L149-M153 HydrophobicContact CG-CG 4.35Å; L149-M153 HydrophobicContact CG-SD 3.96Å; L149-M153 WeakPolarHBondContact O-CB 3.24Å; L149-M153 VanDerWaalsContact O-CG 3.28Å; L149-M153 WeakPolarHBondContact O-CG 3.48Å; L149-M153 PolarHBondContact O-N 3.46Å; M153-T155 WeakPolarHBondContact CB-OG1 3.18Å; M153-T155 PolarHBondContact O-N 2.85Å; M153-T155 PolarHBondContact O-OG1 3.14Å; M153-L160 HydrophobicContact SD-CD2 4.47Å; M153-Y273 HydrophobicContact CE-CD1 3.18Å; M153-Y273 HydrophobicContact CE-CE1 3.26Å; M153-Y273 HydrophobicContact CE-CG 4.25Å; M153-Y273 HydrophobicContact SD-CD1 3.96Å; M153-Y273 HydrophobicContact SD-CE1 4.06Å; M153-I274 HydrophobicContact CE-CB 4.24Å; M153-I274 HydrophobicContact CE-CG1 3.56Å; M153-I274 HydrophobicContact SD-CD1 4.39Å; M153-I274 HydrophobicContact SD-CG1 3.59Å; M153-I274 VanDerWaalsContact SD-CG1 3.59Å
154E83.2Confident83.6Confident187 Ų18748.8 Ų48.887%0.87425%0.247SC*.THydrogen-bonded Turntrans53.336.7-173.1-58.1178.9-179.400112.5S150S150-E154 WeakPolarHBondContact O-CA 3.28Å; S150-E154 PolarHBondContact O-N 3.1Å
155T82.8Confident83.1Confident18 Ų1851.8 Ų51.811%0.1126%0.261CS..  trans-112.4153-176.6-44.90000110.6S150 M153 R157 E159 L160 Y273S150-T155 WeakPolarHBondContact CB-O 3.33Å; S150-T155 PolarHBondContact O-N 2.86Å; S150-T155 VanDerWaalsContact O-N 3.12Å; M153-T155 WeakPolarHBondContact CB-OG1 3.18Å; M153-T155 PolarHBondContact O-N 2.85Å; M153-T155 PolarHBondContact O-OG1 3.14Å; T155-R157 PolarHBondContact O-N 3.33Å; T155-E159 HydrophobicContact CG2-CB 4.23Å; T155-E159 HydrophobicContact CG2-CG 4.24Å; T155-E159 VanDerWaalsContact CG2-OE2 3.32Å; T155-E159 WeakPolarHBondContact CG2-OE2 3.48Å; T155-L160 HydrophobicContact CG2-CD2 4.24Å; T155-L160 HydrophobicContact CG2-CG 4.25Å; T155-Y273 HydrophobicContact CG2-CE1 4.25Å; T155-Y273 WeakPolarHBondContact CG2-OH 3.31Å; T155-Y273 PolarHBondContact OG1-OH 2.94Å
156D85.1Confident81.8Confident89 Ų8955.8 Ų55.848%0.47629%0.289SS..  trans-65136.9171.4-174.828.7000110.3N158 E159 L160D156-N158 VanDerWaalsContact C-N 3.27Å; D156-N158 PolarHBondContact O-N 3.3Å; D156-N158 WeakPolarHBondContact OD2-CB 3.44Å; D156-N158 PolarHBondContact OD2-N 3.43Å; D156-N158 PolarHBondContact OD2-ND2 3.46Å; D156-N158 VanDerWaalsContact OD2-ND2 3.08Å; D156-E159 HydrophobicContact CB-CB 4.13Å; D156-E159 WeakPolarHBondContact O-CB 3.13Å; D156-E159 PolarHBondContact O-N 3.33Å; D156-L160 PolarHBondContact O-N 2.87Å
157R85.5Confident80.1Confident71 Ų7158 Ų5827%0.26831%0.305SS..Hα-helixtrans-61.6-38.5177.7161.7171.2163.5179.8-7.3111.3E143 I146 T155 E159 L160 I161E143-R157 IonicContact OE1-CZ 3.83Å; E143-R157 IonicContact OE1-NH1 3.23Å; E143-R157 IonicContact OE1-NH2 3.02Å; E143-R157 PolarHBondContact OE1-NH2 2.83Å; E143-R157 IonicContact OE2-CZ 2.73Å; E143-R157 IonicContact OE2-NH1 3.45Å; E143-R157 PolarHBondContact OE2-NH1 2.92Å; E143-R157 IonicContact OE2-NH2 2.81Å; E143-R157 PolarHBondContact OE2-NH2 3.47Å; I146-R157 HydrophobicContact CG2-CG 3.79Å; T155-R157 PolarHBondContact O-N 3.33Å; R157-E159 VanDerWaalsContact C-N 3.28Å; R157-E159 PolarHBondContact O-N 3.37Å; R157-L160 PolarHBondContact O-N 3.41Å; R157-I161 HydrophobicContact CG-CD1 3.88Å; R157-I161 WeakPolarHBondContact O-CG1 3.45Å; R157-I161 PolarHBondContact O-N 2.83Å
158N83.7Confident78.1Confident103 Ų10360 Ų6055%0.55132%0.322SS*.Hα-helixtrans-70.4-29.3-179.7-51.4-57.5000111.6D156 I161 S162D156-N158 VanDerWaalsContact C-N 3.27Å; D156-N158 PolarHBondContact O-N 3.3Å; D156-N158 WeakPolarHBondContact OD2-CB 3.44Å; D156-N158 PolarHBondContact OD2-N 3.43Å; D156-N158 PolarHBondContact OD2-ND2 3.46Å; D156-N158 VanDerWaalsContact OD2-ND2 3.08Å; N158-I161 PolarHBondContact O-N 2.84Å; N158-S162 WeakPolarHBondContact O-CB 3.41Å; N158-S162 PolarHBondContact O-N 2.8Å
159E83.2Confident75.8Confident95 Ų9564 Ų6444%0.44435%0.352SS..Hα-helixtrans-64.3-46.8172.6-174.7179.6177.900110.7T155 D156 R157 I161 S162 M163T155-E159 HydrophobicContact CG2-CB 4.23Å; T155-E159 HydrophobicContact CG2-CG 4.24Å; T155-E159 VanDerWaalsContact CG2-OE2 3.32Å; T155-E159 WeakPolarHBondContact CG2-OE2 3.48Å; D156-E159 HydrophobicContact CB-CB 4.13Å; D156-E159 WeakPolarHBondContact O-CB 3.13Å; D156-E159 PolarHBondContact O-N 3.33Å; R157-E159 VanDerWaalsContact C-N 3.28Å; R157-E159 PolarHBondContact O-N 3.37Å; E159-I161 PolarHBondContact O-N 2.91Å; E159-S162 PolarHBondContact O-N 3.18Å; E159-M163 WeakPolarHBondContact O-CG 3.27Å; E159-M163 PolarHBondContact O-N 3.49Å
160L84Confident73.2Confident0 Ų072.3 Ų72.30%040%0.396CS..Hα-helixtrans-59.8-44.9174.8-66.6178.4000111.8L149 M153 T155 D156 R157 M163 M164 L270 Y273L149-L160 HydrophobicContact CB-CD1 4.32Å; L149-L160 HydrophobicContact CD2-CD1 4.27Å; L149-L160 HydrophobicContact CG-CD1 4.11Å; M153-L160 HydrophobicContact SD-CD2 4.47Å; T155-L160 HydrophobicContact CG2-CD2 4.24Å; T155-L160 HydrophobicContact CG2-CG 4.25Å; D156-L160 PolarHBondContact O-N 2.87Å; R157-L160 PolarHBondContact O-N 3.41Å; L160-M163 WeakPolarHBondContact O-CB 3.39Å; L160-M163 PolarHBondContact O-N 3.3Å; L160-M164 WeakPolarHBondContact O-CG 3.35Å; L160-M164 PolarHBondContact O-N 3.03Å; L160-M164 VanDerWaalsContact O-N 3.13Å; L160-L270 HydrophobicContact CD2-CD2 4.18Å; L160-Y273 HydrophobicContact CD2-CD1 4.16Å; L160-Y273 HydrophobicContact CD2-CE1 3.99Å
161I83.5Confident70.5Confident20 Ų2077 Ų7710%0.10343%0.429CS..Hα-helixtrans-64.9-43177.8-66.6169.2000110.7F142 I146 R157 N158 E159 M163 M164 E165F142-I161 HydrophobicContact CE1-CG1 4.5Å; F142-I161 HydrophobicContact CZ-CG1 4.43Å; I146-I161 HydrophobicContact CG2-CD1 4.36Å; I146-I161 HydrophobicContact CG2-CG1 4.11Å; R157-I161 HydrophobicContact CG-CD1 3.88Å; R157-I161 WeakPolarHBondContact O-CG1 3.45Å; R157-I161 PolarHBondContact O-N 2.83Å; N158-I161 PolarHBondContact O-N 2.84Å; E159-I161 PolarHBondContact O-N 2.91Å; I161-M163 VanDerWaalsContact C-N 3.31Å; I161-M163 PolarHBondContact O-N 3.05Å; I161-M164 CarbonylContact O-C 3.4Å; I161-M164 WeakPolarHBondContact O-CA 3.49Å; I161-M164 WeakPolarHBondContact O-CB 3.19Å; I161-M164 PolarHBondContact O-N 2.88Å; I161-E165 HydrophobicContact CG2-CG 4.05Å; I161-E165 WeakPolarHBondContact CG2-OE1 3.43Å; I161-E165 WeakPolarHBondContact O-CG 3.33Å; I161-E165 PolarHBondContact O-N 3.25Å
162S80.6Confident67.7Low69 Ų6978.6 Ų78.648%0.48344%0.441SS..Hα-helixtrans-61.6-39.5177.8-179.10000112N158 E159 M164 E165 S166N158-S162 WeakPolarHBondContact O-CB 3.41Å; N158-S162 PolarHBondContact O-N 2.8Å; E159-S162 PolarHBondContact O-N 3.18Å; S162-M164 VanDerWaalsContact C-N 3.27Å; S162-M164 PolarHBondContact O-N 2.9Å; S162-E165 PolarHBondContact O-N 3.12Å; S162-S166 VanDerWaalsContact O-CB 3.3Å; S162-S166 WeakPolarHBondContact O-CB 3.2Å; S162-S166 PolarHBondContact O-N 3.01Å; S162-S166 PolarHBondContact O-OG 2.97Å
163M79.5Confident65.2Low44 Ų4481 Ų8122%0.21746%0.456CS..Hα-helixtrans-60.3-39.2171.7-72172.16700111.8E159 L160 I161 S166 Y273E159-M163 WeakPolarHBondContact O-CG 3.27Å; E159-M163 PolarHBondContact O-N 3.49Å; L160-M163 WeakPolarHBondContact O-CB 3.39Å; L160-M163 PolarHBondContact O-N 3.3Å; I161-M163 VanDerWaalsContact C-N 3.31Å; I161-M163 PolarHBondContact O-N 3.05Å; M163-S166 PolarHBondContact O-OG 3.21Å; M163-Y273 HydrophobicContact CE-CD1 4.21Å; M163-Y273 HydrophobicContact CE-CD2 3.73Å; M163-Y273 HydrophobicContact CE-CE2 4.46Å; M163-Y273 HydrophobicContact CE-CG 3.6Å; M163-Y273 HydrophobicContact SD-CD1 4.49Å; M163-Y273 HydrophobicContact SD-CD2 4.27Å; M163-Y273 HydrophobicContact SD-CE2 4.44Å; M163-Y273 HydrophobicContact SD-CG 4.32Å
164M78Confident62.5Low1 Ų185.9 Ų85.91%0.00549%0.49CS..Hα-helixtrans-71.7-36.4178.5-64.2173.280.300112.8F142 I146 L160 I161 S162 S167 F183 I187 T266 L270 F491F142-M164 HydrophobicContact CE2-CE 3.56Å; F142-M164 HydrophobicContact CE2-SD 4.22Å; F142-M164 HydrophobicContact CZ-CE 4.15Å; F142-M164 HydrophobicContact CZ-SD 4.22Å; I146-M164 HydrophobicContact CD1-CE 4.13Å; I146-M164 HydrophobicContact CD1-SD 3.56Å; I146-M164 VanDerWaalsContact CD1-SD 3.56Å; I146-M164 HydrophobicContact CG1-SD 4.47Å; L160-M164 WeakPolarHBondContact O-CG 3.35Å; L160-M164 PolarHBondContact O-N 3.03Å; L160-M164 VanDerWaalsContact O-N 3.13Å; I161-M164 CarbonylContact O-C 3.4Å; I161-M164 WeakPolarHBondContact O-CA 3.49Å; I161-M164 WeakPolarHBondContact O-CB 3.19Å; I161-M164 PolarHBondContact O-N 2.88Å; S162-M164 VanDerWaalsContact C-N 3.27Å; S162-M164 PolarHBondContact O-N 2.9Å; M164-S167 PolarHBondContact O-OG 3.42Å; M164-S167 VanDerWaalsContact O-OG 3.12Å; M164-F183 HydrophobicContact CB-CE1 4.39Å; M164-I187 HydrophobicContact CE-CD1 4.03Å; M164-I187 HydrophobicContact CE-CG2 4.47Å; M164-T266 HydrophobicContact CB-CG2 3.52Å; M164-T266 HydrophobicContact CE-CG2 3.3Å; M164-T266 HydrophobicContact CG-CG2 3.39Å; M164-T266 HydrophobicContact SD-CG2 4.18Å; M164-L270 HydrophobicContact CE-CD1 4.02Å; M164-L270 HydrophobicContact CG-CD1 4.31Å; M164-L270 HydrophobicContact CG-CD2 4.33Å; M164-L270 HydrophobicContact CG-CG 4.36Å; M164-L270 HydrophobicContact SD-CD1 4.03Å; M164-L270 HydrophobicContact SD-CD2 4.49Å; M164-F491 HydrophobicContact CE-CE2 4.25Å
165E70.6Confident60Low92 Ų9280.9 Ų80.943%0.4348%0.476SS..Hα-helixtrans-80.8-24.7-179.2-71.4178.8169.800113.1I161 S162 S167I161-E165 HydrophobicContact CG2-CG 4.05Å; I161-E165 WeakPolarHBondContact CG2-OE1 3.43Å; I161-E165 WeakPolarHBondContact O-CG 3.33Å; I161-E165 PolarHBondContact O-N 3.25Å; S162-E165 PolarHBondContact O-N 3.12Å; E165-S167 PolarHBondContact O-N 3.26Å
166S58.2Low57.7Low84 Ų8487.6 Ų87.659%0.58751%0.51SS*.THydrogen-bonded Turntrans-64.74.5179.368.80000115.2S162 M163 D168S162-S166 VanDerWaalsContact O-CB 3.3Å; S162-S166 WeakPolarHBondContact O-CB 3.2Å; S162-S166 PolarHBondContact O-N 3.01Å; S162-S166 PolarHBondContact O-OG 2.97Å; M163-S166 PolarHBondContact O-OG 3.21Å; S166-D168 PolarHBondContact O-N 2.77Å
167S52.7Low55.2Low46 Ų4689.3 Ų89.332%0.32253%0.526SS..THydrogen-bonded Turntrans-83.92.4-17558.10000116.2M164 E165 T169M164-S167 PolarHBondContact O-OG 3.42Å; M164-S167 VanDerWaalsContact O-OG 3.12Å; E165-S167 PolarHBondContact O-N 3.26Å; S167-T169 PolarHBondContact O-N 3.46Å
168D43.2Very low53.3Low139 Ų13992.5 Ų92.574%0.74354%0.544SS*.  trans-83.385174.6-77.8-20.8000111.5S166S166-D168 PolarHBondContact O-N 2.77Å
169T36.4Very low51.7Low125 Ų12594.8 Ų94.877%0.76755%0.549SS*.  trans173.890147.724.20000112S167S167-T169 PolarHBondContact O-N 3.46Å
170D31.4Very low50.3Low173 Ų17394.4 Ų94.493%0.92556%0.555SS**  trans-15083.4140.3-96.8-25000106.7S172D170-S172 PolarHBondContact O-N 3.27Å
171S29Very low49.2Very low115 Ų11599.3 Ų99.380%0.80458%0.581SS**  trans-67.1117.8-177.253.80000112.3
172S26.3Very low48.3Very low115 Ų115101.8 Ų101.880%0.80460%0.595SS**  trans-144.737.9151.471.20000112.5D170D170-S172 PolarHBondContact O-N 3.27Å
173T30.5Very low47.8Very low80 Ų80100.8 Ų100.849%0.49158%0.582SS.*  trans-154.3120.4162.6-2.40000109.4S175T173-S175 PolarHBondContact O-N 2.79Å
174P25.8Very low47.6Very low138 Ų13899.4 Ų99.490%0.89658%0.575SS**  trans-86.985.417833.8-28.7000108.9
175S30.1Very low47.3Very low82 Ų82100.5 Ų100.557%0.57358%0.581SS**  trans-148.2101.9173.646.30000112.6T173T173-S175 PolarHBondContact O-N 2.79Å
176L34.1Very low47.3Very low158 Ų158100.4 Ų100.483%0.82758%0.583SS**  trans60.4130.7167.1-94.879.9000118.8Q178L176-Q178 PolarHBondContact O-N 3.17Å
177P33.9Very low48.4Very low125 Ų12597.1 Ų97.181%0.81256%0.559SS**  trans-67106.216828.6-30.2000109K179P177-K179 PolarHBondContact O-N 3.21Å
178Q45.1Very low49.7Very low138 Ų13894.9 Ų94.965%0.64554%0.544SS*.  trans-63.4129.7166.8-81.8179.9-23.100108.1L176L176-Q178 PolarHBondContact O-N 3.17Å
179K50.2Low51.1Low151 Ų15189.1 Ų89.166%0.65751%0.513SS*.  trans-67.9142.1172.9-75.8177.3177.2175.70107.5P177 N181 D182P177-K179 PolarHBondContact O-N 3.21Å; K179-N181 PolarHBondContact O-N 3.3Å; K179-D182 WeakPolarHBondContact O-CB 3.38Å; K179-D182 PolarHBondContact O-N 3.46Å
180P54Low53Low87 Ų8783.8 Ų83.857%0.56548%0.482SS*.Hα-helixtrans-53.1-28.5-179.717.7-30.6000113.2D182 L184P180-D182 VanDerWaalsContact C-N 3.34Å; P180-D182 PolarHBondContact O-N 2.86Å; P180-L184 PolarHBondContact O-N 3.49Å
181N59.8Low55.2Low103 Ų10375.6 Ų75.655%0.55144%0.438SS*.Hα-helixtrans-63.6-32175-72.1-6.6000114.2K179 I185K179-N181 PolarHBondContact O-N 3.3Å; N181-I185 WeakPolarHBondContact O-CB 3.26Å; N181-I185 VanDerWaalsContact O-CD1 3.24Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.24Å; N181-I185 PolarHBondContact O-N 3.42Å; N181-I185 VanDerWaalsContact O-N 3.11Å
182D64.7Low57.4Low72 Ų7271 Ų7139%0.38540%0.404SS..Hα-helixtrans-69.4-40.1-176.2-63.1-25.3000110.4K179 P180 I185 D186K179-D182 WeakPolarHBondContact O-CB 3.38Å; K179-D182 PolarHBondContact O-N 3.46Å; P180-D182 VanDerWaalsContact C-N 3.34Å; P180-D182 PolarHBondContact O-N 2.86Å; D182-I185 PolarHBondContact O-N 3.36Å; D182-D186 PolarHBondContact O-N 3.18Å
183F70.1Confident59.5Low48 Ų4866.7 Ų66.721%0.21137%0.372CS..Hα-helixtrans-63.4-44.8176.3167.3-97.7000113.1M164 I185 D186 I187 T266M164-F183 HydrophobicContact CB-CE1 4.39Å; F183-I185 VanDerWaalsContact C-N 3.29Å; F183-I185 PolarHBondContact O-N 2.92Å; F183-D186 PolarHBondContact O-N 3.21Å; F183-I187 HydrophobicContact CD1-CD1 4.32Å; F183-I187 HydrophobicContact CD2-CD1 4.23Å; F183-I187 HydrophobicContact CE1-CD1 3.65Å; F183-I187 HydrophobicContact CE2-CD1 3.55Å; F183-I187 HydrophobicContact CE2-CG1 4.32Å; F183-I187 HydrophobicContact CZ-CD1 3.24Å; F183-I187 HydrophobicContact CZ-CG1 4.39Å; F183-I187 PolarHBondContact O-N 2.85Å; F183-I187 VanDerWaalsContact O-N 3.1Å; F183-T266 HydrophobicContact CE1-CG2 4.43Å; F183-T266 WeakPolarHBondContact CE2-OG1 3.44Å; F183-T266 HydrophobicContact CZ-CG2 3.7Å; F183-T266 WeakPolarHBondContact CZ-OG1 3.46Å
184L74.5Confident61.5Low15 Ų1562.9 Ų62.98%0.07935%0.349CS..Hα-helixtrans-62.7-39.3176.9-62.4178.2000111.3F142 P180 G188F142-L184 HydrophobicContact CD1-CD2 4.39Å; F142-L184 HydrophobicContact CD2-CD2 4.5Å; F142-L184 HydrophobicContact CE1-CD2 3.7Å; F142-L184 HydrophobicContact CE2-CD2 3.78Å; F142-L184 HydrophobicContact CZ-CD2 3.35Å; P180-L184 PolarHBondContact O-N 3.49Å; L184-G188 PolarHBondContact O-N 3.45Å
185I72.3Confident63.7Low24 Ų2456.5 Ų56.512%0.12331%0.307CS..Hα-helixtrans-64.3-41.7176.1-70.8163.9000110.6N135 N181 D182 F183 G188 T189N135-I185 HydrophobicContact CB-CD1 3.97Å; N135-I185 HydrophobicContact CB-CG1 4.4Å; N181-I185 WeakPolarHBondContact O-CB 3.26Å; N181-I185 VanDerWaalsContact O-CD1 3.24Å; N181-I185 WeakPolarHBondContact O-CD1 3.45Å; N181-I185 WeakPolarHBondContact O-CG1 3.24Å; N181-I185 PolarHBondContact O-N 3.42Å; N181-I185 VanDerWaalsContact O-N 3.11Å; D182-I185 PolarHBondContact O-N 3.36Å; F183-I185 VanDerWaalsContact C-N 3.29Å; F183-I185 PolarHBondContact O-N 2.92Å; I185-G188 PolarHBondContact O-N 3.02Å; I185-T189 VanDerWaalsContact O-CB 3.26Å; I185-T189 WeakPolarHBondContact O-CB 3.49Å; I185-T189 PolarHBondContact O-N 3.38Å; I185-T189 PolarHBondContact O-OG1 3.28Å
186D71.5Confident65.3Low90 Ų9053.3 Ų53.348%0.48128%0.284SS..Hα-helixtrans-64-46.9179.6-74-19.6000112D182 F183 T189 A190D182-D186 PolarHBondContact O-N 3.18Å; F183-D186 PolarHBondContact O-N 3.21Å; D186-T189 WeakPolarHBondContact O-CB 3.32Å; D186-T189 PolarHBondContact O-N 3.08Å; D186-A190 PolarHBondContact O-N 2.99Å
187I80Confident66.5Low15 Ų1546.8 Ų46.88%0.07725%0.252CS..Hα-helixtrans-65.2-43177.1-68-177000111.1F142 M164 F183 T189 A190 A191 T266 F491F142-I187 HydrophobicContact CD2-CB 4.41Å; F142-I187 HydrophobicContact CD2-CG2 3.98Å; F142-I187 HydrophobicContact CE2-CG2 4.28Å; M164-I187 HydrophobicContact CE-CD1 4.03Å; M164-I187 HydrophobicContact CE-CG2 4.47Å; F183-I187 HydrophobicContact CD1-CD1 4.32Å; F183-I187 HydrophobicContact CD2-CD1 4.23Å; F183-I187 HydrophobicContact CE1-CD1 3.65Å; F183-I187 HydrophobicContact CE2-CD1 3.55Å; F183-I187 HydrophobicContact CE2-CG1 4.32Å; F183-I187 HydrophobicContact CZ-CD1 3.24Å; F183-I187 HydrophobicContact CZ-CG1 4.39Å; F183-I187 PolarHBondContact O-N 2.85Å; F183-I187 VanDerWaalsContact O-N 3.1Å; I187-T189 VanDerWaalsContact C-N 3.27Å; I187-T189 PolarHBondContact O-N 3.21Å; I187-A190 PolarHBondContact O-N 3.33Å; I187-A191 PolarHBondContact O-N 3.45Å; I187-T266 HydrophobicContact CD1-CG2 3.74Å; I187-F491 HydrophobicContact CG2-CB 3.93Å; I187-F491 HydrophobicContact CG2-CD1 3.12Å; I187-F491 HydrophobicContact CG2-CD2 4.23Å; I187-F491 HydrophobicContact CG2-CE1 3.5Å; I187-F491 HydrophobicContact CG2-CG 3.53Å; I187-F491 HydrophobicContact CG2-CZ 4.19Å
188G80.3Confident67.5Low0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-61.6-35.6174.300000112.9S138 L184 I185 A191 Y192S138-G188 VanDerWaalsContact O-CA 3.25Å; S138-G188 WeakPolarHBondContact O-CA 3.49Å; L184-G188 PolarHBondContact O-N 3.45Å; I185-G188 PolarHBondContact O-N 3.02Å; G188-A191 PolarHBondContact O-N 3.02Å; G188-Y192 WeakPolarHBondContact O-CB 3.41Å; G188-Y192 PolarHBondContact O-N 3.27Å
189T73.8Confident67.6Low17 Ų1740.4 Ų40.410%0.10421%0.212CC..Hα-helixtrans-70.2-39.7176.9-59.40000111.3L133 S138 I185 D186 I187 Y192 T193L133-T189 HydrophobicContact CD1-CG2 4.06Å; S138-T189 VanDerWaalsContact CB-OG1 3.31Å; S138-T189 WeakPolarHBondContact CB-OG1 3.41Å; I185-T189 VanDerWaalsContact O-CB 3.26Å; I185-T189 WeakPolarHBondContact O-CB 3.49Å; I185-T189 PolarHBondContact O-N 3.38Å; I185-T189 PolarHBondContact O-OG1 3.28Å; D186-T189 WeakPolarHBondContact O-CB 3.32Å; D186-T189 PolarHBondContact O-N 3.08Å; I187-T189 VanDerWaalsContact C-N 3.27Å; I187-T189 PolarHBondContact O-N 3.21Å; T189-Y192 PolarHBondContact O-N 2.8Å; T189-T193 WeakPolarHBondContact O-CB 3.3Å; T189-T193 PolarHBondContact O-N 2.91Å; T189-T193 PolarHBondContact O-OG1 3.07Å
190A75.2Confident67.5Low14 Ų1436.1 Ų36.112%0.11620%0.197CC..Hα-helixtrans-61.1-47.3172.900000111.3D186 I187 Y192 T193 N194 L490D186-A190 PolarHBondContact O-N 2.99Å; I187-A190 PolarHBondContact O-N 3.33Å; A190-Y192 PolarHBondContact O-N 3.34Å; A190-T193 PolarHBondContact O-N 3.47Å; A190-N194 WeakPolarHBondContact O-CB 3.35Å; A190-N194 PolarHBondContact O-N 3.41Å; A190-N194 PolarHBondContact O-ND2 3.44Å; A190-L490 CarbonylContact C-O 3.55Å
191A78.6Confident67.1Low0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-59-46.5175.900000112.8I145 I187 G188 N194 S195 L490 F491I145-A191 HydrophobicContact CD1-CB 3.44Å; I145-A191 VanDerWaalsContact CD1-CB 3.44Å; I187-A191 PolarHBondContact O-N 3.45Å; G188-A191 PolarHBondContact O-N 3.02Å; A191-N194 PolarHBondContact O-N 3.4Å; A191-S195 WeakPolarHBondContact O-CB 3.36Å; A191-S195 PolarHBondContact O-N 2.84Å; A191-L490 WeakPolarHBondContact CA-O 3.41Å; A191-L490 HydrophobicContact CB-CB 4.32Å; A191-L490 PolarHBondContact N-O 3.13Å; A191-F491 HydrophobicContact CB-CD1 3.98Å; A191-F491 HydrophobicContact CB-CE1 4.16Å
192Y75Confident66.2Low20 Ų2037.4 Ų37.48%0.07819%0.19CC..Hα-helixtrans-59.9-47175.7-179.5-118.5000111.8L133 W141 G188 T189 A190 N194 S195 I196 E629 I633L133-Y192 HydrophobicContact CD2-CD1 3.28Å; L133-Y192 HydrophobicContact CD2-CE1 3.23Å; W141-Y192 AromaticContact CD1-CD2 3.68Å; W141-Y192 HydrophobicContact CD2-CD2 4.08Å; W141-Y192 AromaticContact CE2-CD2 3.53Å; W141-Y192 HydrophobicContact CG-CD2 4.17Å; W141-Y192 HydrophobicContact CZ2-CD2 4.08Å; W141-Y192 AromaticContact NE1-CD2 3.23Å; W141-Y192 AromaticContact NE1-CE2 3.69Å; G188-Y192 WeakPolarHBondContact O-CB 3.41Å; G188-Y192 PolarHBondContact O-N 3.27Å; T189-Y192 PolarHBondContact O-N 2.8Å; A190-Y192 PolarHBondContact O-N 3.34Å; Y192-N194 PolarHBondContact O-N 3.42Å; Y192-S195 WeakPolarHBondContact O-CB 3.14Å; Y192-S195 PolarHBondContact O-N 2.84Å; Y192-S195 PolarHBondContact O-OG 3.45Å; Y192-I196 HydrophobicContact CD1-CD1 4.04Å; Y192-I196 HydrophobicContact CD2-CD1 3.96Å; Y192-I196 HydrophobicContact CE1-CD1 3.53Å; Y192-I196 HydrophobicContact CE2-CD1 3.45Å; Y192-I196 VanDerWaalsContact CE2-CD1 3.45Å; Y192-I196 HydrophobicContact CE2-CG1 4.32Å; Y192-I196 HydrophobicContact CG-CD1 4.27Å; Y192-I196 PolarHBondContact O-N 2.87Å; Y192-E629 PolarHBondContact OH-OE2 2.99Å; Y192-I633 HydrophobicContact CD1-CD1 4.23Å; Y192-I633 HydrophobicContact CE1-CD1 3.44Å; Y192-I633 VanDerWaalsContact CE1-CD1 3.44Å
193T69.1Low65Low23 Ų2341.1 Ų41.114%0.14121%0.21CC..Hα-helixtrans-63.4-45.9-179.6-54.70000111.4T189 A190 S195 I196 A197 P494T189-T193 WeakPolarHBondContact O-CB 3.3Å; T189-T193 PolarHBondContact O-N 2.91Å; T189-T193 PolarHBondContact O-OG1 3.07Å; A190-T193 PolarHBondContact O-N 3.47Å; T193-S195 VanDerWaalsContact C-N 3.27Å; T193-S195 PolarHBondContact O-N 3.27Å; T193-I196 PolarHBondContact O-N 3.33Å; T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.48Å; T193-A197 PolarHBondContact O-N 3.47Å; T193-P494 HydrophobicContact CG2-CB 4.05Å; T193-P494 HydrophobicContact CG2-CG 3.6Å
194N74.1Confident63.4Low1 Ų140.7 Ų40.71%0.00521%0.212CC..Hα-helixtrans-62.2-36.9177.4-73.2-28.3000112A190 A191 Y192 I196 L198 L490 L492 P494A190-N194 WeakPolarHBondContact O-CB 3.35Å; A190-N194 PolarHBondContact O-N 3.41Å; A190-N194 PolarHBondContact O-ND2 3.44Å; A191-N194 PolarHBondContact O-N 3.4Å; Y192-N194 PolarHBondContact O-N 3.42Å; N194-I196 VanDerWaalsContact C-N 3.29Å; N194-I196 PolarHBondContact O-N 2.9Å; N194-L198 VanDerWaalsContact O-CD1 3.3Å; N194-L198 WeakPolarHBondContact O-CD1 3.41Å; N194-L198 WeakPolarHBondContact O-CG 3.48Å; N194-L198 PolarHBondContact O-N 2.75Å; N194-L490 HydrophobicContact CB-CD2 4.12Å; N194-L490 PolarHBondContact ND2-O 2.84Å; N194-L492 PolarHBondContact ND2-O 2.72Å; N194-P494 VanDerWaalsContact OD1-CA 3.32Å; N194-P494 WeakPolarHBondContact OD1-CA 3.43Å
195S70.4Confident61.6Low3 Ų344 Ų442%0.02123%0.23CC..Hα-helixtrans-64.2-32.9177.280.70000113.9W141 A191 Y192 T193W141-S195 WeakPolarHBondContact CH2-OG 3.31Å; W141-S195 VanDerWaalsContact CZ2-OG 3.31Å; W141-S195 WeakPolarHBondContact CZ2-OG 3.36Å; W141-S195 VanDerWaalsContact CZ3-OG 3.29Å; W141-S195 WeakPolarHBondContact CZ3-OG 3.49Å; A191-S195 WeakPolarHBondContact O-CB 3.36Å; A191-S195 PolarHBondContact O-N 2.84Å; Y192-S195 WeakPolarHBondContact O-CB 3.14Å; Y192-S195 PolarHBondContact O-N 2.84Å; Y192-S195 PolarHBondContact O-OG 3.45Å; T193-S195 VanDerWaalsContact C-N 3.27Å; T193-S195 PolarHBondContact O-N 3.27Å
196I64.4Low60.1Low16 Ų1652.2 Ų52.28%0.08226%0.264CS..Hα-helixtrans-85.1-42.6180-68.1173000110.7Y192 T193 N194 L198 E199 I633Y192-I196 HydrophobicContact CD1-CD1 4.04Å; Y192-I196 HydrophobicContact CD2-CD1 3.96Å; Y192-I196 HydrophobicContact CE1-CD1 3.53Å; Y192-I196 HydrophobicContact CE2-CD1 3.45Å; Y192-I196 VanDerWaalsContact CE2-CD1 3.45Å; Y192-I196 HydrophobicContact CE2-CG1 4.32Å; Y192-I196 HydrophobicContact CG-CD1 4.27Å; Y192-I196 PolarHBondContact O-N 2.87Å; T193-I196 PolarHBondContact O-N 3.33Å; N194-I196 VanDerWaalsContact C-N 3.29Å; N194-I196 PolarHBondContact O-N 2.9Å; I196-L198 PolarHBondContact O-N 2.73Å; I196-L198 VanDerWaalsContact O-N 3.1Å; I196-E199 PolarHBondContact O-N 2.81Å; I196-I633 HydrophobicContact CD1-CD1 3.4Å; I196-I633 HydrophobicContact CG2-CG2 4.11Å
197A59.5Low58.5Low20 Ų2054.7 Ų54.717%0.16528%0.278CS..Hα-helixtrans-57.5-26.717700000112T193 E199 W201T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.48Å; T193-A197 PolarHBondContact O-N 3.47Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 PolarHBondContact O-N 3.39Å; A197-W201 WeakPolarHBondContact O-CB 3.25Å
198L54.3Low56.7Low29 Ų2955.1 Ų55.115%0.15228%0.282CS..Hα-helixtrans-65.7-25.4176.1-78.6165.5000114.5N194 I196 L490 Y497 L600 L602N194-L198 VanDerWaalsContact O-CD1 3.3Å; N194-L198 WeakPolarHBondContact O-CD1 3.41Å; N194-L198 WeakPolarHBondContact O-CG 3.48Å; N194-L198 PolarHBondContact O-N 2.75Å; I196-L198 PolarHBondContact O-N 2.73Å; I196-L198 VanDerWaalsContact O-N 3.1Å; L198-L490 HydrophobicContact CD1-CD2 4.29Å; L198-Y497 HydrophobicContact CD1-CE1 4.49Å; L198-Y497 HydrophobicContact CD2-CE1 3.98Å; L198-Y497 HydrophobicContact CG-CE1 4.25Å; L198-L600 WeakPolarHBondContact CD2-O 3.49Å; L198-L602 HydrophobicContact CD1-CB 3.97Å
199E48.8Very low55.2Low100 Ų10056.4 Ų56.447%0.46729%0.29SS..Hα-helixtrans-86-25.8-177.4-65.6-166.2135.100113.5I196 A197 Q607I196-E199 PolarHBondContact O-N 2.81Å; A197-E199 VanDerWaalsContact C-N 3.3Å; A197-E199 PolarHBondContact O-N 3.39Å; E199-Q607 PolarHBondContact OE1-NE2 3.12Å
200N46.2Very low53.7Low62 Ų6256.9 Ų56.933%0.33230%0.298SS..Hα-helixtrans-111.9-3.6-168.4-69.5-30.2000115.2H202 N203N200-H202 VanDerWaalsContact C-N 3.26Å; N200-H202 PolarHBondContact O-N 3.41Å; N200-H202 VanDerWaalsContact O-N 3.08Å; N200-N203 PolarHBondContact O-N 2.98Å
201W46.3Very low52.6Low40 Ų4062.3 Ų62.315%0.15232%0.321CS..G310 helixtrans-65.6-22.3-162.6-147.3-2.9000116A197 N203 C204 Y497 S498 K501A197-W201 WeakPolarHBondContact O-CB 3.25Å; W201-N203 PolarHBondContact O-N 2.91Å; W201-N203 VanDerWaalsContact O-N 3.12Å; W201-C204 PolarHBondContact O-N 3.34Å; W201-Y497 HydrophobicContact CH2-CD1 4.38Å; W201-Y497 HydrophobicContact CZ3-CD1 4.34Å; W201-Y497 HydrophobicContact CZ3-CE1 4.18Å; W201-S498 VanDerWaalsContact CZ2-CA 3.41Å; W201-K501 HydrophobicContact CE3-CD 3.91Å; W201-K501 HydrophobicContact CE3-CG 4.49Å; W201-K501 VanDerWaalsContact CE3-NZ 3.27Å; W201-K501 HydrophobicContact CH2-CB 3.46Å; W201-K501 VanDerWaalsContact CH2-CB 3.46Å; W201-K501 HydrophobicContact CH2-CD 3.64Å; W201-K501 HydrophobicContact CH2-CG 3.56Å; W201-K501 HydrophobicContact CZ2-CB 4.38Å; W201-K501 HydrophobicContact CZ2-CG 4.41Å; W201-K501 HydrophobicContact CZ3-CB 3.95Å; W201-K501 HydrophobicContact CZ3-CD 3.18Å; W201-K501 HydrophobicContact CZ3-CG 3.67Å; W201-K501 VanDerWaalsContact CZ3-NZ 3.34Å
202H41Very low51.4Low177 Ų17763.3 Ų63.382%0.81933%0.326SS*.G310 helixtrans-63.8-17.4-178.9-84.9-63.9000113.8N200N200-H202 VanDerWaalsContact C-N 3.26Å; N200-H202 PolarHBondContact O-N 3.41Å; N200-H202 VanDerWaalsContact O-N 3.08Å
203N39.4Very low50.7Low149 Ų14962.3 Ų62.380%0.79732%0.322SS*.G310 helixtrans-93.8-18.8-175.4-69.2-27.6000114.9N200 W201N200-N203 PolarHBondContact O-N 2.98Å; W201-N203 PolarHBondContact O-N 2.91Å; W201-N203 VanDerWaalsContact O-N 3.12Å
204C37.1Very low50.6Low39 Ų3962.1 Ų62.126%0.26432%0.322SS..SBendtrans-99.6-3.8-169.6-63.20000115.2W201 K206 S208W201-C204 PolarHBondContact O-N 3.34Å; C204-K206 VanDerWaalsContact C-N 3.3Å; C204-K206 PolarHBondContact O-N 2.83Å; C204-S208 PolarHBondContact O-OG 3.39Å
205L36.2Very low50.1Low86 Ų8666.8 Ų66.845%0.4534%0.343SS..THydrogen-bonded Turntrans-66.8-10.1-164.1-103.1149.6000117.5
206K41.1Very low50Low195 Ų19569.2 Ų69.285%0.84836%0.358SS*.THydrogen-bonded Turntrans-89.2-23-168.6-76.8-177.21781760115.5C204C204-K206 VanDerWaalsContact C-N 3.3Å; C204-K206 PolarHBondContact O-N 2.83Å
207N38.1Very low50.3Low142 Ų14268.5 Ų68.576%0.75935%0.354SS*.THydrogen-bonded Turntrans-127.1-17.8-167.1-65-11.1000116
208S42.2Very low50.8Low25 Ų2568.7 Ų68.718%0.17535%0.352CS..  trans-94.52.7-173.548.30000115.8C204 G210C204-S208 PolarHBondContact O-OG 3.39Å; S208-G210 PolarHBondContact O-N 3.45Å; S208-G210 VanDerWaalsContact O-N 3.08Å
209T48.1Very low51.4Low27 Ų2771 Ų7117%0.16637%0.368CS..Hα-helixtrans-66.2-17.6-17051.30000114.3V213 H215 I218T209-V213 PolarHBondContact O-N 3.43Å; T209-H215 PolarHBondContact OG1-CE1 2.68Å; T209-H215 PolarHBondContact OG1-ND1 3.02Å; T209-I218 HydrophobicContact CG2-CD1 4.14Å
210G42.5Very low52.7Low26 Ų2669.1 Ų69.127%0.26836%0.357SS..Hα-helixtrans-77.1-31.4-175.600000116.2S208 H215S208-G210 PolarHBondContact O-N 3.45Å; S208-G210 VanDerWaalsContact O-N 3.08Å; G210-H215 WeakPolarHBondContact CA-CD2 3.4Å; G210-H215 WeakPolarHBondContact CA-CE1 3.36Å; G210-H215 WeakPolarHBondContact CA-NE2 3.39Å; G210-H215 PolarHBondContact N-CE1 3.45Å; G210-H215 PolarHBondContact N-NE2 3.11Å
211E51.4Low54Low129 Ų12966.1 Ų66.160%0.60334%0.341SS*.Hα-helixtrans-85.4-29.2178.1-64.8-169.5167.900111.5F258E211-F258 WeakPolarHBondContact O-CZ 3.45Å
212L54.6Low55.2Low20 Ų2066.4 Ų66.411%0.10535%0.345CS..Hα-helixtrans-82.2-37.1-177.2-65.2171.9000113F258 V495 I502L212-F258 WeakPolarHBondContact O-CE1 3.28Å; L212-V495 HydrophobicContact CD2-CG1 3.98Å; L212-I502 HydrophobicContact CD1-CD1 4.33Å
213V59.5Low56.4Low0 Ų059.3 Ų59.30%032%0.317CS..SBendtrans-148.5151.9-176.7-173.40000109.3T209 H215 I218 L255 F258 R499 M503T209-V213 PolarHBondContact O-N 3.43Å; V213-H215 PolarHBondContact O-N 3.35Å; V213-I218 HydrophobicContact CB-CD1 3.69Å; V213-I218 HydrophobicContact CB-CG1 4.03Å; V213-I218 HydrophobicContact CG1-CD1 4.07Å; V213-I218 HydrophobicContact CG1-CG1 3.81Å; V213-I218 HydrophobicContact CG2-CD1 4.31Å; V213-L255 HydrophobicContact CG1-CD2 4.15Å; V213-F258 VanDerWaalsContact C-CE2 3.42Å; V213-R499 HydrophobicContact CG2-CB 4.2Å; V213-R499 HydrophobicContact CG2-CG 3.88Å; V213-M503 HydrophobicContact CG1-CG 4.47Å; V213-M503 HydrophobicContact CG1-SD 3.65Å; V213-M503 HydrophobicContact CG2-CG 4.47Å
214S66.9Low57.9Low18 Ų1852.3 Ų52.313%0.12628%0.28CS..  trans-55.8115171.1-178.30000110.2V216 A217 I218S214-V216 PolarHBondContact O-N 3.06Å; S214-A217 WeakPolarHBondContact O-CA 3.33Å; S214-A217 WeakPolarHBondContact O-CB 2.95Å; S214-A217 PolarHBondContact O-N 3.48Å; S214-I218 PolarHBondContact O-N 2.85Å
215H65.3Low59.4Low99 Ų9951 Ų5146%0.45827%0.271SS..Hα-helixtrans-49.6-35174.1-80.5-60.8000112.3T209 G210 V213 I218 T219T209-H215 PolarHBondContact OG1-CE1 2.68Å; T209-H215 PolarHBondContact OG1-ND1 3.02Å; G210-H215 WeakPolarHBondContact CA-CD2 3.4Å; G210-H215 WeakPolarHBondContact CA-CE1 3.36Å; G210-H215 WeakPolarHBondContact CA-NE2 3.39Å; G210-H215 PolarHBondContact N-CE1 3.45Å; G210-H215 PolarHBondContact N-NE2 3.11Å; V213-H215 PolarHBondContact O-N 3.35Å; H215-I218 PolarHBondContact O-N 2.88Å; H215-T219 WeakPolarHBondContact O-CB 2.91Å; H215-T219 PolarHBondContact O-N 3.14Å; H215-T219 PolarHBondContact O-OG1 2.96Å
216V66.4Low60.8Low55 Ų5551.1 Ų51.133%0.33327%0.268SS..Hα-helixtrans-67-43.3178.5-176.90000111.1S214 T219 Y220 H254S214-V216 PolarHBondContact O-N 3.06Å; V216-T219 PolarHBondContact O-N 3.39Å; V216-Y220 HydrophobicContact CG1-CD2 3.68Å; V216-Y220 HydrophobicContact CG1-CE2 3.22Å; V216-Y220 WeakPolarHBondContact O-CD2 3.45Å; V216-Y220 PolarHBondContact O-N 3.33Å; V216-H254 VanDerWaalsContact CG1-CD2 3.45Å; V216-H254 WeakPolarHBondContact CG1-CD2 3.32Å; V216-H254 VanDerWaalsContact CG1-NE2 3.32Å; V216-H254 WeakPolarHBondContact CG1-NE2 3.26Å
217A70.6Confident61.6Low0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-63.4-43.6174.600000111.8S214 T219 Y220 L221 T251 H254 L255S214-A217 WeakPolarHBondContact O-CA 3.33Å; S214-A217 WeakPolarHBondContact O-CB 2.95Å; S214-A217 PolarHBondContact O-N 3.48Å; A217-T219 VanDerWaalsContact C-N 3.34Å; A217-T219 PolarHBondContact O-N 2.85Å; A217-Y220 PolarHBondContact O-N 3.2Å; A217-L221 WeakPolarHBondContact O-CG 3.37Å; A217-L221 PolarHBondContact O-N 3.08Å; A217-T251 HydrophobicContact CB-CG2 3.89Å; A217-H254 HydrophobicContact CB-CB 4.16Å; A217-L255 HydrophobicContact CB-CD2 4.03Å; A217-L255 HydrophobicContact CB-CG 4.04Å
218I71.3Confident62.5Low25 Ų2537.1 Ų37.113%0.12820%0.2CC..Hα-helixtrans-59.7-46.1173.9-71.3175.6000110.5T209 V213 S214 H215 Y220 L221 D222 I502 L506T209-I218 HydrophobicContact CG2-CD1 4.14Å; V213-I218 HydrophobicContact CB-CD1 3.69Å; V213-I218 HydrophobicContact CB-CG1 4.03Å; V213-I218 HydrophobicContact CG1-CD1 4.07Å; V213-I218 HydrophobicContact CG1-CG1 3.81Å; V213-I218 HydrophobicContact CG2-CD1 4.31Å; S214-I218 PolarHBondContact O-N 2.85Å; H215-I218 PolarHBondContact O-N 2.88Å; I218-Y220 VanDerWaalsContact C-N 3.34Å; I218-Y220 PolarHBondContact O-N 3.35Å; I218-L221 PolarHBondContact O-N 3.25Å; I218-D222 WeakPolarHBondContact O-CB 3.39Å; I218-D222 PolarHBondContact O-N 3.42Å; I218-I502 HydrophobicContact CD1-CG2 4.38Å; I218-L506 HydrophobicContact CB-CD1 4.39Å; I218-L506 HydrophobicContact CG1-CD1 4.14Å; I218-L506 HydrophobicContact CG2-CD1 4.14Å
219T67.6Low63Low77 Ų7740 Ų4047%0.47221%0.213SC..Hα-helixtrans-62.9-41.7-176.9-56.20000111.5H215 V216 A217 A223H215-T219 WeakPolarHBondContact O-CB 2.91Å; H215-T219 PolarHBondContact O-N 3.14Å; H215-T219 PolarHBondContact O-OG1 2.96Å; V216-T219 PolarHBondContact O-N 3.39Å; A217-T219 VanDerWaalsContact C-N 3.34Å; A217-T219 PolarHBondContact O-N 2.85Å; T219-A223 VanDerWaalsContact O-CB 3.28Å; T219-A223 WeakPolarHBondContact O-CB 3.37Å; T219-A223 PolarHBondContact O-N 3.26Å
220Y75.3Confident63Low60 Ų6044.6 Ų44.624%0.23524%0.237CC..Hα-helixtrans-69.2-41.9177.3-72.7-50.8000112.5V216 A217 I218 A223 L224 F247 M250 T251V216-Y220 HydrophobicContact CG1-CD2 3.68Å; V216-Y220 HydrophobicContact CG1-CE2 3.22Å; V216-Y220 WeakPolarHBondContact O-CD2 3.45Å; V216-Y220 PolarHBondContact O-N 3.33Å; A217-Y220 PolarHBondContact O-N 3.2Å; I218-Y220 VanDerWaalsContact C-N 3.34Å; I218-Y220 PolarHBondContact O-N 3.35Å; Y220-A223 PolarHBondContact O-N 3.49Å; Y220-L224 VanDerWaalsContact O-CG 3.32Å; Y220-L224 WeakPolarHBondContact O-CG 3.26Å; Y220-L224 PolarHBondContact O-N 2.86Å; Y220-F247 HydrophobicContact CD1-CB 4.36Å; Y220-F247 AromaticContact CD1-CD1 3.46Å; Y220-F247 HydrophobicContact CD1-CD1 3.46Å; Y220-F247 VanDerWaalsContact CD1-CD1 3.46Å; Y220-F247 AromaticContact CD1-CE1 3.89Å; Y220-F247 HydrophobicContact CD1-CE1 3.89Å; Y220-F247 HydrophobicContact CD1-CG 4Å; Y220-F247 AromaticContact CE1-CD1 3.79Å; Y220-F247 HydrophobicContact CE1-CD1 3.79Å; Y220-F247 AromaticContact CE1-CE1 3.92Å; Y220-F247 HydrophobicContact CE1-CE1 3.92Å; Y220-F247 HydrophobicContact CG-CD1 4.41Å; Y220-M250 HydrophobicContact CD1-CE 3.97Å; Y220-M250 HydrophobicContact CD2-CB 3.83Å; Y220-M250 HydrophobicContact CE1-CE 3.38Å; Y220-M250 HydrophobicContact CE1-SD 4.27Å; Y220-M250 HydrophobicContact CE2-CB 3.62Å; Y220-M250 HydrophobicContact CE2-CE 3.98Å; Y220-M250 HydrophobicContact CE2-CG 4.38Å; Y220-M250 HydrophobicContact CE2-SD 3.99Å; Y220-M250 VanDerWaalsContact CZ-CE 3.4Å; Y220-M250 PolarHBondContact OH-SD 3.06Å; Y220-M250 VanDerWaalsContact OH-SD 3.42Å; Y220-T251 VanDerWaalsContact CB-OG1 3.26Å; Y220-T251 WeakPolarHBondContact CB-OG1 3.21Å
221L74.1Confident63.2Low0 Ų044.9 Ų44.90%023%0.232CC..Hα-helixtrans-67.7-36.7174.4-72.4176.8000112.4A217 I218 L224 S225 L248 T251 M503 L506 L507 V510 F557A217-L221 WeakPolarHBondContact O-CG 3.37Å; A217-L221 PolarHBondContact O-N 3.08Å; I218-L221 PolarHBondContact O-N 3.25Å; L221-L224 HydrophobicContact CD2-CD1 4.29Å; L221-L224 PolarHBondContact O-N 2.96Å; L221-S225 VanDerWaalsContact O-CB 3.24Å; L221-S225 WeakPolarHBondContact O-CB 3.43Å; L221-S225 PolarHBondContact O-N 3.47Å; L221-L248 HydrophobicContact CD2-CD2 4.26Å; L221-T251 HydrophobicContact CD1-CG2 3.78Å; L221-T251 HydrophobicContact CD2-CG2 4.03Å; L221-T251 HydrophobicContact CG-CG2 3.61Å; L221-M503 HydrophobicContact CD1-CE 3.28Å; L221-M503 HydrophobicContact CD1-SD 4.09Å; L221-L506 HydrophobicContact CB-CB 4.09Å; L221-L506 HydrophobicContact CB-CD1 4.17Å; L221-L506 HydrophobicContact CD1-CB 4.28Å; L221-L506 HydrophobicContact CD1-CD1 4.43Å; L221-L507 HydrophobicContact CD1-CD2 4.34Å; L221-L507 HydrophobicContact CD2-CD2 3.82Å; L221-V510 HydrophobicContact CD2-CG2 4.32Å; L221-F557 HydrophobicContact CD1-CE1 4.49Å; L221-F557 HydrophobicContact CD2-CZ 4.39Å
222D70.5Confident62.5Low45 Ų4541.6 Ų41.624%0.24123%0.233CC..Hα-helixtrans-65.5-42.4175.4-178.459000110.6I218 L224 S225 K226 L506I218-D222 WeakPolarHBondContact O-CB 3.39Å; I218-D222 PolarHBondContact O-N 3.42Å; D222-L224 PolarHBondContact O-N 2.92Å; D222-S225 VanDerWaalsContact CA-OG 3.31Å; D222-S225 WeakPolarHBondContact CA-OG 3.15Å; D222-S225 CarbonylContact O-C 3.6Å; D222-S225 PolarHBondContact O-N 3.27Å; D222-S225 VanDerWaalsContact O-N 3.16Å; D222-S225 PolarHBondContact O-OG 2.78Å; D222-K226 WeakPolarHBondContact O-CG 3.16Å; D222-K226 PolarHBondContact O-N 3.45Å; D222-K226 VanDerWaalsContact O-N 3.08Å; D222-K226 VanDerWaalsContact OD1-CE 3.26Å; D222-K226 WeakPolarHBondContact OD1-CE 3.37Å; D222-K226 IonicContact OD1-NZ 4Å; D222-K226 PolarHBondContact OD1-NZ 3.43Å; D222-K226 WeakPolarHBondContact OD2-CE 3.43Å; D222-K226 IonicContact OD2-NZ 2.66Å; D222-K226 PolarHBondContact OD2-NZ 2.76Å; D222-L506 HydrophobicContact CB-CD2 4.42Å
223A66.3Low62Low28 Ų2845.4 Ų45.423%0.23125%0.25CS..Hα-helixtrans-60.7-44.4173.100000111.9T219 Y220 S225 K226 W227 F247T219-A223 VanDerWaalsContact O-CB 3.28Å; T219-A223 WeakPolarHBondContact O-CB 3.37Å; T219-A223 PolarHBondContact O-N 3.26Å; Y220-A223 PolarHBondContact O-N 3.49Å; A223-S225 VanDerWaalsContact C-N 3.33Å; A223-K226 PolarHBondContact O-N 3.37Å; A223-W227 PolarHBondContact O-N 3.46Å; A223-F247 HydrophobicContact CB-CE2 4.36Å
224L71.3Confident61.1Low2 Ų250 Ų501%0.0127%0.272CS..Hα-helixtrans-62.5-39.7172.8-74169.2000111.8Y220 L221 D222 K226 W227 P244 F247 L248 V510Y220-L224 VanDerWaalsContact O-CG 3.32Å; Y220-L224 WeakPolarHBondContact O-CG 3.26Å; Y220-L224 PolarHBondContact O-N 2.86Å; L221-L224 HydrophobicContact CD2-CD1 4.29Å; L221-L224 PolarHBondContact O-N 2.96Å; D222-L224 PolarHBondContact O-N 2.92Å; L224-K226 PolarHBondContact O-N 2.98Å; L224-W227 WeakPolarHBondContact O-CB 3.22Å; L224-W227 PolarHBondContact O-N 2.76Å; L224-W227 VanDerWaalsContact O-N 3.15Å; L224-P244 HydrophobicContact CD2-CB 3.84Å; L224-F247 HydrophobicContact CD1-CB 3.7Å; L224-F247 HydrophobicContact CD2-CB 4Å; L224-F247 HydrophobicContact CD2-CD2 3.91Å; L224-F247 HydrophobicContact CD2-CG 4.47Å; L224-F247 HydrophobicContact CG-CB 3.78Å; L224-F247 HydrophobicContact CG-CD2 3.99Å; L224-F247 HydrophobicContact CG-CG 4.4Å; L224-L248 HydrophobicContact CD1-CD2 3.64Å; L224-L248 HydrophobicContact CD1-CG 3.77Å; L224-V510 HydrophobicContact CB-CG1 4.24Å; L224-V510 HydrophobicContact CB-CG2 3.64Å
225S68.5Low59.7Low12 Ų1252.7 Ų52.78%0.08429%0.29CS..THydrogen-bonded Turntrans-70.5-7.7178.283.80000114L221 D222 A223 N513L221-S225 VanDerWaalsContact O-CB 3.24Å; L221-S225 WeakPolarHBondContact O-CB 3.43Å; L221-S225 PolarHBondContact O-N 3.47Å; D222-S225 VanDerWaalsContact CA-OG 3.31Å; D222-S225 WeakPolarHBondContact CA-OG 3.15Å; D222-S225 CarbonylContact O-C 3.6Å; D222-S225 PolarHBondContact O-N 3.27Å; D222-S225 VanDerWaalsContact O-N 3.16Å; D222-S225 PolarHBondContact O-OG 2.78Å; A223-S225 VanDerWaalsContact C-N 3.33Å; S225-N513 PolarHBondContact O-ND2 2.88Å
226K64.9Low58.4Low89 Ų8955.4 Ų55.439%0.38730%0.301SS..THydrogen-bonded Turntrans-112.2-4.1176-71.5171.5179.9166.70112.3D222 A223 L224 N229 N230D222-K226 WeakPolarHBondContact O-CG 3.16Å; D222-K226 PolarHBondContact O-N 3.45Å; D222-K226 VanDerWaalsContact O-N 3.08Å; D222-K226 VanDerWaalsContact OD1-CE 3.26Å; D222-K226 WeakPolarHBondContact OD1-CE 3.37Å; D222-K226 IonicContact OD1-NZ 4Å; D222-K226 PolarHBondContact OD1-NZ 3.43Å; D222-K226 WeakPolarHBondContact OD2-CE 3.43Å; D222-K226 IonicContact OD2-NZ 2.66Å; D222-K226 PolarHBondContact OD2-NZ 2.76Å; A223-K226 PolarHBondContact O-N 3.37Å; L224-K226 PolarHBondContact O-N 2.98Å; K226-N229 PolarHBondContact O-N 3.47Å; K226-N229 VanDerWaalsContact O-N 3.12Å; K226-N230 HydrophobicContact CB-CB 4.2Å; K226-N230 PolarHBondContact O-N 2.76Å
227W59.1Low57.1Low36 Ų3654 Ų5414%0.13629%0.292CS..THydrogen-bonded Turntrans-82.5139.9175.1-170.973.1000110A223 L224 I231 P244 N513 H514 L517A223-W227 PolarHBondContact O-N 3.46Å; L224-W227 WeakPolarHBondContact O-CB 3.22Å; L224-W227 PolarHBondContact O-N 2.76Å; L224-W227 VanDerWaalsContact O-N 3.15Å; W227-I231 HydrophobicContact CB-CD1 4.31Å; W227-I231 VanDerWaalsContact CD1-CD1 3.43Å; W227-I231 HydrophobicContact CG-CD1 4.19Å; W227-P244 HydrophobicContact CH2-CG 4.48Å; W227-N513 WeakPolarHBondContact O-CB 3.44Å; W227-N513 PolarHBondContact O-ND2 2.93Å; W227-N513 VanDerWaalsContact O-ND2 3.1Å; W227-H514 AromaticContact CZ3-CE1 3.84Å; W227-L517 HydrophobicContact CE3-CD2 4.18Å; W227-L517 HydrophobicContact CH2-CD2 3.11Å; W227-L517 HydrophobicContact CZ2-CD2 4.12Å; W227-L517 HydrophobicContact CZ3-CD2 3.15Å
228P55.6Low55.8Low6 Ų657.1 Ų57.14%0.03931%0.313CS..THydrogen-bonded Turncis-82.3-15.7-1.534.4-36.6000114.5N230 I231 F308 L517P228-N230 PolarHBondContact O-N 2.7Å; P228-I231 PolarHBondContact O-N 3.22Å; P228-I231 VanDerWaalsContact O-N 3.12Å; P228-F308 HydrophobicContact CG-CE1 4.13Å; P228-F308 HydrophobicContact CG-CZ 4.03Å; P228-L517 HydrophobicContact CG-CD1 4.31Å
229N52.6Low54.3Low86 Ų8662.2 Ų62.246%0.4634%0.336SS..THydrogen-bonded Turntrans-53.7-22.6-164.4-60.6-12.3000116.8K226 F308K226-N229 PolarHBondContact O-N 3.47Å; K226-N229 VanDerWaalsContact O-N 3.12Å; N229-F308 WeakPolarHBondContact OD1-CZ 3.26Å
230N49.3Very low52.9Low124 Ų12467.9 Ų67.966%0.66335%0.349SS*.THydrogen-bonded Turntrans-123.31.3-178.6-83.4-38.8000115.4K226 P228K226-N230 HydrophobicContact CB-CB 4.2Å; K226-N230 PolarHBondContact O-N 2.76Å; P228-N230 PolarHBondContact O-N 2.7Å
231I46.1Very low51.4Low31 Ų3174 Ų7416%0.15938%0.377CS..SBendtrans-98.5101.6172-51.9-164.6000105.5W227 P228 H233 F670W227-I231 HydrophobicContact CB-CD1 4.31Å; W227-I231 VanDerWaalsContact CD1-CD1 3.43Å; W227-I231 HydrophobicContact CG-CD1 4.19Å; P228-I231 PolarHBondContact O-N 3.22Å; P228-I231 VanDerWaalsContact O-N 3.12Å; I231-H233 PolarHBondContact O-N 3.26Å; I231-F670 HydrophobicContact CG2-CZ 4.27Å
232G36.8Very low50.2Low60 Ų6077.8 Ų77.862%0.61940%0.402SS*.  trans-43.5117.6176.900000109.4Q234G232-Q234 PolarHBondContact O-N 3.4Å
233H45.1Very low49.8Very low101 Ų10177.9 Ų77.947%0.46840%0.403SS..  trans-62.681-177.1-81.7-83000109.3I231I231-H233 PolarHBondContact O-N 3.26Å
234Q38.8Very low49.7Very low97 Ų9777.7 Ų77.745%0.45340%0.399SS..  trans-81.5117.2160.1-70.1-166.9-1.300105.9G232 K236 V237 C238G232-Q234 PolarHBondContact O-N 3.4Å; Q234-K236 PolarHBondContact O-N 3.23Å; Q234-K236 VanDerWaalsContact O-N 3.08Å; Q234-V237 HydrophobicContact CB-CB 4.3Å; Q234-V237 HydrophobicContact CB-CG2 3.8Å; Q234-V237 PolarHBondContact O-N 3.13Å; Q234-C238 PolarHBondContact O-N 3.06Å
235S39.1Very low49.3Very low74 Ų7479.4 Ų79.452%0.51741%0.408SS..Hα-helixtrans-48.6-39175.779.60000110.4V237 C238 E239S235-V237 VanDerWaalsContact C-N 3.27Å; S235-V237 PolarHBondContact O-N 3.1Å; S235-C238 CarbonylContact O-C 3.34Å; S235-C238 PolarHBondContact O-N 3.39Å; S235-C238 VanDerWaalsContact O-N 3.11Å; S235-E239 VanDerWaalsContact CB-OE1 3.23Å; S235-E239 WeakPolarHBondContact CB-OE1 3.23Å; S235-E239 VanDerWaalsContact O-CB 3.26Å; S235-E239 WeakPolarHBondContact O-CB 3.36Å; S235-E239 WeakPolarHBondContact O-CG 3.3Å; S235-E239 PolarHBondContact O-N 2.84Å; S235-E239 PolarHBondContact OG-OE1 3.22Å
236K37.3Very low49.1Very low156 Ų15681.4 Ų81.468%0.67842%0.422SS*.Hα-helixtrans-57.8-27.7175.1-65.5-177.8179.3179.20115.7Q234Q234-K236 PolarHBondContact O-N 3.23Å; Q234-K236 VanDerWaalsContact O-N 3.08Å
237V39.3Very low49.4Very low26 Ų2679 Ų7916%0.15841%0.412CS..Hα-helixtrans-87.1-31.9178.8179.50000110.7Q234 S235 L243 F670Q234-V237 HydrophobicContact CB-CB 4.3Å; Q234-V237 HydrophobicContact CB-CG2 3.8Å; Q234-V237 PolarHBondContact O-N 3.13Å; S235-V237 VanDerWaalsContact C-N 3.27Å; S235-V237 PolarHBondContact O-N 3.1Å; V237-L243 HydrophobicContact CG1-CD1 3.89Å; V237-L243 HydrophobicContact CG1-CD2 4.15Å; V237-F670 HydrophobicContact CG1-CZ 4.17Å; V237-F670 HydrophobicContact CG2-CE2 3.92Å; V237-F670 HydrophobicContact CG2-CZ 4Å
238C42.6Very low50Low64 Ų6477.5 Ų77.543%0.43241%0.407SS..Hα-helixtrans-81-30.1174.5-60.60000112.5Q234 S235 R240Q234-C238 PolarHBondContact O-N 3.06Å; S235-C238 CarbonylContact O-C 3.34Å; S235-C238 PolarHBondContact O-N 3.39Å; S235-C238 VanDerWaalsContact O-N 3.11Å; C238-R240 PolarHBondContact O-N 2.88Å
239E39.8Very low50.7Low133 Ų13380.4 Ų80.462%0.62143%0.427SS*.SBendtrans-64.4-23176.6-81.1162-150.400112.5S235 K241S235-E239 VanDerWaalsContact CB-OE1 3.23Å; S235-E239 WeakPolarHBondContact CB-OE1 3.23Å; S235-E239 VanDerWaalsContact O-CB 3.26Å; S235-E239 WeakPolarHBondContact O-CB 3.36Å; S235-E239 WeakPolarHBondContact O-CG 3.3Å; S235-E239 PolarHBondContact O-N 2.84Å; S235-E239 PolarHBondContact OG-OE1 3.22Å; E239-K241 PolarHBondContact O-N 3.13Å
240R37.8Very low51.5Low195 Ų19579.1 Ų79.174%0.73642%0.419SS*.SBendtrans-91.493.3167.7-68.3-174.2-180-177.30.2108.8C238 C242C238-R240 PolarHBondContact O-N 2.88Å; R240-C242 PolarHBondContact O-N 3.03Å
241K44.7Very low52.6Low190 Ų19073.2 Ų73.283%0.82639%0.387SS*.THydrogen-bonded Turntrans-49.116.3177.8-60.4-176.4175.8-174.60117.6E239E239-K241 PolarHBondContact O-N 3.13Å
242C48.8Very low54.1Low78 Ų7873.3 Ų73.353%0.52739%0.389SS..THydrogen-bonded Turntrans-118-8.8-167.1-65.10000115.3R240 S246R240-C242 PolarHBondContact O-N 3.03Å; C242-S246 WeakPolarHBondContact O-CB 3.3Å; C242-S246 PolarHBondContact O-N 3.38Å; C242-S246 PolarHBondContact O-OG 3.04Å
243L61.6Low55.9Low48 Ų4872.9 Ų72.925%0.25138%0.377SS..Hα-helixtrans-65.4-52.7-169.1-13198.4000113.6V237 N245 S246 F247V237-L243 HydrophobicContact CG1-CD1 3.89Å; V237-L243 HydrophobicContact CG1-CD2 4.15Å; L243-N245 PolarHBondContact O-N 2.99Å; L243-S246 PolarHBondContact O-N 3.32Å; L243-F247 HydrophobicContact CD2-CE2 3.73Å; L243-F247 HydrophobicContact CD2-CZ 3.75Å; L243-F247 HydrophobicContact CG-CE2 4.37Å; L243-F247 HydrophobicContact CG-CZ 4.23Å; L243-F247 WeakPolarHBondContact O-CG 3.43Å; L243-F247 PolarHBondContact O-N 3.24Å
244P63.9Low57.1Low24 Ų2471.2 Ų71.216%0.15637%0.369CS..Hα-helixtrans-64.9-42-178.6-23.135.3000112.7L224 W227 S246 F247 L248L224-P244 HydrophobicContact CD2-CB 3.84Å; W227-P244 HydrophobicContact CH2-CG 4.48Å; P244-S246 VanDerWaalsContact C-N 3.31Å; P244-S246 PolarHBondContact O-N 3.49Å; P244-F247 PolarHBondContact O-N 2.95Å; P244-L248 PolarHBondContact O-N 3.42Å
245N63Low58.7Low38 Ų3866.6 Ų66.620%0.20335%0.348CS..Hα-helixtrans-61.2-38.4175.6-68.8-30000112.2L243 S249L243-N245 PolarHBondContact O-N 2.99Å; N245-S249 WeakPolarHBondContact O-CB 3.35Å; N245-S249 PolarHBondContact O-N 3.46Å
246S64.9Low60.3Low54 Ų5469.8 Ų69.838%0.37835%0.352SS..Hα-helixtrans-67.2-41.6176-60.90000111.4C242 L243 P244 S249 M250C242-S246 WeakPolarHBondContact O-CB 3.3Å; C242-S246 PolarHBondContact O-N 3.38Å; C242-S246 PolarHBondContact O-OG 3.04Å; L243-S246 PolarHBondContact O-N 3.32Å; P244-S246 VanDerWaalsContact C-N 3.31Å; P244-S246 PolarHBondContact O-N 3.49Å; S246-S249 PolarHBondContact O-N 3.22Å; S246-M250 WeakPolarHBondContact O-CB 3.33Å; S246-M250 WeakPolarHBondContact O-CE 3.2Å; S246-M250 VanDerWaalsContact O-CG 3.25Å; S246-M250 WeakPolarHBondContact O-CG 3.44Å; S246-M250 PolarHBondContact O-N 3.21Å
247F70.8Confident61.3Low39 Ų3968.4 Ų68.417%0.17135%0.352CS..Hα-helixtrans-65.6-43.5176.8-69.1-16.5000112.2Y220 A223 L224 L243 P244 M250 T251Y220-F247 HydrophobicContact CD1-CB 4.36Å; Y220-F247 AromaticContact CD1-CD1 3.46Å; Y220-F247 HydrophobicContact CD1-CD1 3.46Å; Y220-F247 VanDerWaalsContact CD1-CD1 3.46Å; Y220-F247 AromaticContact CD1-CE1 3.89Å; Y220-F247 HydrophobicContact CD1-CE1 3.89Å; Y220-F247 HydrophobicContact CD1-CG 4Å; Y220-F247 AromaticContact CE1-CD1 3.79Å; Y220-F247 HydrophobicContact CE1-CD1 3.79Å; Y220-F247 AromaticContact CE1-CE1 3.92Å; Y220-F247 HydrophobicContact CE1-CE1 3.92Å; Y220-F247 HydrophobicContact CG-CD1 4.41Å; A223-F247 HydrophobicContact CB-CE2 4.36Å; L224-F247 HydrophobicContact CD1-CB 3.7Å; L224-F247 HydrophobicContact CD2-CB 4Å; L224-F247 HydrophobicContact CD2-CD2 3.91Å; L224-F247 HydrophobicContact CD2-CG 4.47Å; L224-F247 HydrophobicContact CG-CB 3.78Å; L224-F247 HydrophobicContact CG-CD2 3.99Å; L224-F247 HydrophobicContact CG-CG 4.4Å; L243-F247 HydrophobicContact CD2-CE2 3.73Å; L243-F247 HydrophobicContact CD2-CZ 3.75Å; L243-F247 HydrophobicContact CG-CE2 4.37Å; L243-F247 HydrophobicContact CG-CZ 4.23Å; L243-F247 WeakPolarHBondContact O-CG 3.43Å; L243-F247 PolarHBondContact O-N 3.24Å; P244-F247 PolarHBondContact O-N 2.95Å; F247-M250 HydrophobicContact CD1-CE 3.53Å; F247-M250 HydrophobicContact CE1-CE 4.07Å; F247-M250 PolarHBondContact O-N 2.8Å; F247-T251 WeakPolarHBondContact O-CB 3.39Å; F247-T251 PolarHBondContact O-N 2.83Å; F247-T251 PolarHBondContact O-OG1 3.45Å
248L72.7Confident62.4Low4 Ų469 Ų692%0.02135%0.353CS..Hα-helixtrans-62.6-45.6173.9-71.9174.5000111.6L221 L224 P244 M250 T251 T252 I371 F557L221-L248 HydrophobicContact CD2-CD2 4.26Å; L224-L248 HydrophobicContact CD1-CD2 3.64Å; L224-L248 HydrophobicContact CD1-CG 3.77Å; P244-L248 PolarHBondContact O-N 3.42Å; L248-M250 PolarHBondContact O-N 3.43Å; L248-T251 WeakPolarHBondContact O-CB 3.43Å; L248-T251 PolarHBondContact O-N 2.86Å; L248-T252 WeakPolarHBondContact O-CB 3.36Å; L248-T252 PolarHBondContact O-N 3.29Å; L248-T252 PolarHBondContact O-OG1 2.69Å; L248-T252 VanDerWaalsContact O-OG1 3.1Å; L248-I371 HydrophobicContact CD1-CD1 4.01Å; L248-F557 HydrophobicContact CD2-CE2 4.26Å; L248-F557 HydrophobicContact CD2-CZ 4.31Å
249S69.1Low63.1Low66 Ų6673 Ų7346%0.46236%0.363SS..Hα-helixtrans-61.8-43.1178-178.50000112.6N245 S246 T252 S253N245-S249 WeakPolarHBondContact O-CB 3.35Å; N245-S249 PolarHBondContact O-N 3.46Å; S246-S249 PolarHBondContact O-N 3.22Å; S249-T252 PolarHBondContact O-N 3.15Å; S249-S253 PolarHBondContact O-N 3.14Å
250M69.6Low63.9Low60 Ų6074.5 Ų74.530%0.29637%0.369SS..Hα-helixtrans-65.4-43.4175.2-72.9-172.8-64.300111.5Y220 S246 F247 L248 T252 S253 H254Y220-M250 HydrophobicContact CD1-CE 3.97Å; Y220-M250 HydrophobicContact CD2-CB 3.83Å; Y220-M250 HydrophobicContact CE1-CE 3.38Å; Y220-M250 HydrophobicContact CE1-SD 4.27Å; Y220-M250 HydrophobicContact CE2-CB 3.62Å; Y220-M250 HydrophobicContact CE2-CE 3.98Å; Y220-M250 HydrophobicContact CE2-CG 4.38Å; Y220-M250 HydrophobicContact CE2-SD 3.99Å; Y220-M250 VanDerWaalsContact CZ-CE 3.4Å; Y220-M250 PolarHBondContact OH-SD 3.06Å; Y220-M250 VanDerWaalsContact OH-SD 3.42Å; S246-M250 WeakPolarHBondContact O-CB 3.33Å; S246-M250 WeakPolarHBondContact O-CE 3.2Å; S246-M250 VanDerWaalsContact O-CG 3.25Å; S246-M250 WeakPolarHBondContact O-CG 3.44Å; S246-M250 PolarHBondContact O-N 3.21Å; F247-M250 HydrophobicContact CD1-CE 3.53Å; F247-M250 HydrophobicContact CE1-CE 4.07Å; F247-M250 PolarHBondContact O-N 2.8Å; L248-M250 PolarHBondContact O-N 3.43Å; M250-T252 PolarHBondContact O-N 3.33Å; M250-S253 PolarHBondContact O-N 2.98Å; M250-H254 PolarHBondContact O-CD2 2.88Å; M250-H254 PolarHBondContact O-N 3.23Å
251T73.8Confident65.2Low0 Ų069.9 Ų69.90%035%0.353CS..Hα-helixtrans-55.1-51.5174.4-57.70000110.8A217 Y220 L221 F247 L248 S253 H254 L255 F557A217-T251 HydrophobicContact CB-CG2 3.89Å; Y220-T251 VanDerWaalsContact CB-OG1 3.26Å; Y220-T251 WeakPolarHBondContact CB-OG1 3.21Å; L221-T251 HydrophobicContact CD1-CG2 3.78Å; L221-T251 HydrophobicContact CD2-CG2 4.03Å; L221-T251 HydrophobicContact CG-CG2 3.61Å; F247-T251 WeakPolarHBondContact O-CB 3.39Å; F247-T251 PolarHBondContact O-N 2.83Å; F247-T251 PolarHBondContact O-OG1 3.45Å; L248-T251 WeakPolarHBondContact O-CB 3.43Å; L248-T251 PolarHBondContact O-N 2.86Å; T251-S253 VanDerWaalsContact C-N 3.33Å; T251-S253 PolarHBondContact O-N 3.32Å; T251-H254 PolarHBondContact O-N 3.37Å; T251-H254 VanDerWaalsContact O-N 3.13Å; T251-L255 HydrophobicContact CG2-CD1 3.95Å; T251-L255 HydrophobicContact CG2-CG 4.43Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 2.8Å; T251-F557 HydrophobicContact CG2-CE1 3.87Å; T251-F557 HydrophobicContact CG2-CZ 3.95Å
252T75.9Confident66.5Low33 Ų3362.7 Ų62.720%0.20233%0.325CS..Hα-helixtrans-57.4-44177.1-65.80000112.1L248 S249 M250 H254 L255 K256 L560L248-T252 WeakPolarHBondContact O-CB 3.36Å; L248-T252 PolarHBondContact O-N 3.29Å; L248-T252 PolarHBondContact O-OG1 2.69Å; L248-T252 VanDerWaalsContact O-OG1 3.1Å; S249-T252 PolarHBondContact O-N 3.15Å; M250-T252 PolarHBondContact O-N 3.33Å; T252-H254 VanDerWaalsContact C-N 3.33Å; T252-H254 PolarHBondContact O-N 2.86Å; T252-L255 PolarHBondContact O-N 3.3Å; T252-K256 WeakPolarHBondContact O-CB 3.36Å; T252-K256 PolarHBondContact O-N 3.17Å; T252-L560 HydrophobicContact CG2-CD1 3.61Å
253S74.9Confident67.9Low51 Ų5159 Ų5936%0.35730%0.301SS..Hα-helixtrans-62.9-38.5176.8-171.70000112.6S249 M250 T251 N257S249-S253 PolarHBondContact O-N 3.14Å; M250-S253 PolarHBondContact O-N 2.98Å; T251-S253 VanDerWaalsContact C-N 3.33Å; T251-S253 PolarHBondContact O-N 3.32Å; S253-N257 PolarHBondContact O-N 3.07Å
254H71.5Confident68.7Low66 Ų6658.6 Ų58.631%0.30630%0.301SS..Hα-helixtrans-73.5-37.1178.8-83-75.1000112.4V216 A217 M250 T251 T252 K256 N257 F258V216-H254 VanDerWaalsContact CG1-CD2 3.45Å; V216-H254 WeakPolarHBondContact CG1-CD2 3.32Å; V216-H254 VanDerWaalsContact CG1-NE2 3.32Å; V216-H254 WeakPolarHBondContact CG1-NE2 3.26Å; A217-H254 HydrophobicContact CB-CB 4.16Å; M250-H254 PolarHBondContact O-CD2 2.88Å; M250-H254 PolarHBondContact O-N 3.23Å; T251-H254 PolarHBondContact O-N 3.37Å; T251-H254 VanDerWaalsContact O-N 3.13Å; T252-H254 VanDerWaalsContact C-N 3.33Å; T252-H254 PolarHBondContact O-N 2.86Å; H254-K256 VanDerWaalsContact C-N 3.35Å; H254-N257 PolarHBondContact O-N 3.5Å; H254-F258 PolarHBondContact O-N 3.3Å
255L72.6Confident69.4Low0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-68.7-34.8173.7-68.4172.7000111.8V213 A217 T251 T252 N257 F258 M503 F557 R563V213-L255 HydrophobicContact CG1-CD2 4.15Å; A217-L255 HydrophobicContact CB-CD2 4.03Å; A217-L255 HydrophobicContact CB-CG 4.04Å; T251-L255 HydrophobicContact CG2-CD1 3.95Å; T251-L255 HydrophobicContact CG2-CG 4.43Å; T251-L255 WeakPolarHBondContact O-CG 3.38Å; T251-L255 PolarHBondContact O-N 2.8Å; T252-L255 PolarHBondContact O-N 3.3Å; L255-N257 VanDerWaalsContact C-N 3.25Å; L255-N257 PolarHBondContact O-N 2.94Å; L255-F258 PolarHBondContact O-N 2.92Å; L255-M503 HydrophobicContact CD1-CE 3.56Å; L255-M503 HydrophobicContact CD2-CE 4.03Å; L255-M503 HydrophobicContact CD2-SD 4.43Å; L255-M503 HydrophobicContact CG-CE 4.38Å; L255-F557 HydrophobicContact CD1-CD1 3.81Å; L255-F557 HydrophobicContact CD1-CE1 3.52Å; L255-R563 PolarHBondContact O-NH2 3.04Å
256K72.5Confident70.2Confident141 Ų14159.6 Ų59.661%0.61330%0.301SS*.Hα-helixtrans-57.6-40.1174.7-167.5172-178.6175.10111.7T252 H254 L560 R563T252-K256 WeakPolarHBondContact O-CB 3.36Å; T252-K256 PolarHBondContact O-N 3.17Å; H254-K256 VanDerWaalsContact C-N 3.35Å; K256-L560 HydrophobicContact CB-CD2 4.35Å; K256-R563 VanDerWaalsContact C-NH2 3.32Å; K256-R563 VanDerWaalsContact CA-NH2 3.26Å; K256-R563 PolarHBondContact O-NH2 3.49Å
257N58.5Low71.1Confident126 Ų12657.1 Ų57.167%0.67428%0.284SS*.THydrogen-bonded Turntrans-85.1-5.5-177.3-64.2-7.1000114.3S253 H254 L255S253-N257 PolarHBondContact O-N 3.07Å; H254-N257 PolarHBondContact O-N 3.5Å; L255-N257 VanDerWaalsContact C-N 3.25Å; L255-N257 PolarHBondContact O-N 2.94Å
258F60.6Low71.7Confident39 Ų3955.4 Ų55.417%0.17128%0.277CS..SBendtrans-73.6131.8179.8-149.8-100.4000110.3E211 L212 V213 H254 L255 R563E211-F258 WeakPolarHBondContact O-CZ 3.45Å; L212-F258 WeakPolarHBondContact O-CE1 3.28Å; V213-F258 VanDerWaalsContact C-CE2 3.42Å; H254-F258 PolarHBondContact O-N 3.3Å; L255-F258 PolarHBondContact O-N 2.92Å; F258-R563 PolarHBondContact O-NH1 3.37Å
259K58.9Low72.2Confident149 Ų14957 Ų5765%0.64829%0.286SS*.  trans-53.2152.1-172.3-77.8-174.4174.4-174.30113.5Y261K259-Y261 PolarHBondContact O-N 2.83Å
260H56.7Low73Confident163 Ų16354 Ų5476%0.75526%0.264SS*.  trans-66.778-162.4-61.8-79.4000115.6
261Y63.7Low73.8Confident99 Ų9951.1 Ų51.139%0.38825%0.25SC..  trans-93.6109.5158-62.9-73.2000109K259 V495 M496K259-Y261 PolarHBondContact O-N 2.83Å; Y261-V495 HydrophobicContact CE2-CG1 4.18Å; Y261-M496 WeakPolarHBondContact CB-SD 3.46Å; Y261-M496 HydrophobicContact CG-CG 4.29Å; Y261-M496 HydrophobicContact CG-SD 4.19Å
262C72.5Confident74.3Confident38 Ų3852.7 Ų52.726%0.25726%0.258SS..PPolyproline II helixtrans-93.8152.8171.1-66.20000109.4R563C262-R563 CarbonylContact C-O 3.6Å; C262-R563 WeakPolarHBondContact CA-O 3.21Å
263I77.4Confident74.7Confident2 Ų253.8 Ų53.81%0.0126%0.259CS..BIsolated β-bridgetrans-60.7132.3165.9-67.2172000107.5K265 A267 E268 L492 L562 R563 W583I263-K265 PolarHBondContact O-N 3.27Å; I263-A267 HydrophobicContact CG2-CB 3.71Å; I263-E268 HydrophobicContact CG2-CB 4.47Å; I263-L492 HydrophobicContact CB-CD2 4.42Å; I263-L492 HydrophobicContact CG1-CD2 4.1Å; I263-L492 HydrophobicContact CG2-CD2 3.9Å; I263-L562 HydrophobicContact CD1-CB 3.63Å; I263-L562 HydrophobicContact CD1-CD2 3.69Å; I263-L562 HydrophobicContact CD1-CG 4.24Å; I263-R563 PolarHBondContact N-O 3.09Å; I263-W583 HydrophobicContact CD1-CH2 3.74Å; I263-W583 HydrophobicContact CD1-CZ3 4.34Å
264P79Confident75.2Confident39 Ų3951.7 Ų51.725%0.25324%0.244SC..PPolyproline II helixtrans-52138.5174.7-25.733.4000110.5T266 A267 E268 P493P264-T266 PolarHBondContact O-N 3.48Å; P264-A267 PolarHBondContact O-N 3.12Å; P264-E268 PolarHBondContact O-N 3.46Å; P264-P493 HydrophobicContact CG-CG 3.97Å
265K78.4Confident75.7Confident74 Ų7449.4 Ų49.432%0.32223%0.233SC..Hα-helixtrans-52.2-35.9-177.6-176.654.6176.7-177.70112.1I263 E268 L269I263-K265 PolarHBondContact O-N 3.27Å; K265-E268 WeakPolarHBondContact CD-OE2 3.16Å; K265-E268 WeakPolarHBondContact CE-OE2 3.37Å; K265-E268 IonicContact NZ-OE1 2.7Å; K265-E268 PolarHBondContact NZ-OE1 3.35Å; K265-E268 IonicContact NZ-OE2 3.26Å; K265-E268 PolarHBondContact NZ-OE2 2.96Å; K265-E268 WeakPolarHBondContact O-CB 3.4Å; K265-E268 PolarHBondContact O-N 3.13Å; K265-L269 HydrophobicContact CD-CG 4.46Å; K265-L269 HydrophobicContact CG-CD1 4.32Å; K265-L269 WeakPolarHBondContact O-CG 3.4Å; K265-L269 PolarHBondContact O-N 3.39Å
266T79.5Confident76.1Confident8 Ų853.7 Ų53.75%0.04926%0.263CS..Hα-helixtrans-60.2-48.2175.8-38.70000113.2M164 F183 I187 P264 E268 L269 L270M164-T266 HydrophobicContact CB-CG2 3.52Å; M164-T266 HydrophobicContact CE-CG2 3.3Å; M164-T266 HydrophobicContact CG-CG2 3.39Å; M164-T266 HydrophobicContact SD-CG2 4.18Å; F183-T266 HydrophobicContact CE1-CG2 4.43Å; F183-T266 WeakPolarHBondContact CE2-OG1 3.44Å; F183-T266 HydrophobicContact CZ-CG2 3.7Å; F183-T266 WeakPolarHBondContact CZ-OG1 3.46Å; I187-T266 HydrophobicContact CD1-CG2 3.74Å; P264-T266 PolarHBondContact O-N 3.48Å; T266-E268 VanDerWaalsContact C-N 3.35Å; T266-L269 PolarHBondContact O-N 3.45Å; T266-L270 WeakPolarHBondContact O-CG 3.33Å; T266-L270 PolarHBondContact O-N 3.38Å; T266-L270 VanDerWaalsContact O-N 3.07Å
267A84.1Confident76.3Confident2 Ų250.3 Ų50.32%0.01726%0.257CS..Hα-helixtrans-69.9-34.2176.700000111.4I263 P264 L271 V488 L492I263-A267 HydrophobicContact CG2-CB 3.71Å; P264-A267 PolarHBondContact O-N 3.12Å; A267-L271 WeakPolarHBondContact O-CB 3.49Å; A267-L271 WeakPolarHBondContact O-CD1 3.36Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 3.36Å; A267-V488 HydrophobicContact CB-CG1 4.22Å; A267-L492 HydrophobicContact CB-CD2 4.36Å
268E84.3Confident77.1Confident3 Ų345.3 Ų45.31%0.01423%0.232CC..Hα-helixtrans-58.5-50.5170.8178.8-158166.700110.9I263 P264 K265 T266 L270 L271 D272 V564 W583I263-E268 HydrophobicContact CG2-CB 4.47Å; P264-E268 PolarHBondContact O-N 3.46Å; K265-E268 WeakPolarHBondContact CD-OE2 3.16Å; K265-E268 WeakPolarHBondContact CE-OE2 3.37Å; K265-E268 IonicContact NZ-OE1 2.7Å; K265-E268 PolarHBondContact NZ-OE1 3.35Å; K265-E268 IonicContact NZ-OE2 3.26Å; K265-E268 PolarHBondContact NZ-OE2 2.96Å; K265-E268 WeakPolarHBondContact O-CB 3.4Å; K265-E268 PolarHBondContact O-N 3.13Å; T266-E268 VanDerWaalsContact C-N 3.35Å; E268-L270 PolarHBondContact O-N 3.47Å; E268-L271 PolarHBondContact O-N 2.95Å; E268-D272 WeakPolarHBondContact O-CB 3.47Å; E268-D272 PolarHBondContact O-N 2.92Å; E268-V564 HydrophobicContact CB-CG1 4.4Å; E268-V564 HydrophobicContact CG-CG1 3.75Å; E268-V564 HydrophobicContact CG-CG2 4.23Å; E268-V564 WeakPolarHBondContact OE1-CG1 3.37Å; E268-V564 WeakPolarHBondContact OE2-CG1 3.38Å; E268-W583 HydrophobicContact CG-CZ2 4.11Å
269L82.4Confident77.6Confident39 Ų3946.7 Ų46.720%0.20425%0.245CC..Hα-helixtrans-62.6-42.5-178.8-71.6172.1000112.2K265 T266 D272 Y273K265-L269 HydrophobicContact CD-CG 4.46Å; K265-L269 HydrophobicContact CG-CD1 4.32Å; K265-L269 WeakPolarHBondContact O-CG 3.4Å; K265-L269 PolarHBondContact O-N 3.39Å; T266-L269 PolarHBondContact O-N 3.45Å; L269-D272 PolarHBondContact O-N 3.38Å; L269-Y273 VanDerWaalsContact O-CB 3.31Å; L269-Y273 WeakPolarHBondContact O-CB 3.18Å; L269-Y273 PolarHBondContact O-N 3.04Å
270L85.4Confident78.1Confident1 Ų144.7 Ų44.71%0.00524%0.241CC..Hα-helixtrans-64.3-42.2176.2-70.8174.8000111.9L149 L160 M164 T266 E268 Y273 I274 V488 F491L149-L270 HydrophobicContact CD2-CD1 4.28Å; L149-L270 HydrophobicContact CD2-CD2 4.08Å; L160-L270 HydrophobicContact CD2-CD2 4.18Å; M164-L270 HydrophobicContact CE-CD1 4.02Å; M164-L270 HydrophobicContact CG-CD1 4.31Å; M164-L270 HydrophobicContact CG-CD2 4.33Å; M164-L270 HydrophobicContact CG-CG 4.36Å; M164-L270 HydrophobicContact SD-CD1 4.03Å; M164-L270 HydrophobicContact SD-CD2 4.49Å; T266-L270 WeakPolarHBondContact O-CG 3.33Å; T266-L270 PolarHBondContact O-N 3.38Å; T266-L270 VanDerWaalsContact O-N 3.07Å; E268-L270 PolarHBondContact O-N 3.47Å; L270-Y273 PolarHBondContact O-N 2.9Å; L270-I274 WeakPolarHBondContact O-CB 3.33Å; L270-I274 WeakPolarHBondContact O-CD1 3.34Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 2.91Å; L270-V488 HydrophobicContact CB-CG1 3.97Å; L270-V488 HydrophobicContact CB-CG2 3.94Å; L270-V488 HydrophobicContact CD1-CG1 4.4Å; L270-V488 HydrophobicContact CD1-CG2 4.2Å; L270-F491 HydrophobicContact CD1-CD2 4.05Å; L270-F491 HydrophobicContact CD1-CE2 4.07Å
271L87.2Confident78.4Confident1 Ų140.7 Ų40.71%0.00524%0.236CC..Hα-helixtrans-66.5-43.8176.2-71.6167.2000111.3A267 E268 Y273 I274 F275 V488 W583 L587A267-L271 WeakPolarHBondContact O-CB 3.49Å; A267-L271 WeakPolarHBondContact O-CD1 3.36Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 3.36Å; E268-L271 PolarHBondContact O-N 2.95Å; L271-Y273 VanDerWaalsContact C-N 3.25Å; L271-Y273 PolarHBondContact O-N 2.89Å; L271-I274 PolarHBondContact O-N 3.07Å; L271-F275 HydrophobicContact CD2-CE2 4.37Å; L271-F275 VanDerWaalsContact O-CD2 3.3Å; L271-F275 WeakPolarHBondContact O-CD2 3.34Å; L271-F275 PolarHBondContact O-N 3.01Å; L271-V488 HydrophobicContact CD1-CG1 4.39Å; L271-V488 HydrophobicContact CD2-CB 4.31Å; L271-V488 HydrophobicContact CD2-CG1 4.04Å; L271-V488 HydrophobicContact CG-CG1 3.8Å; L271-W583 HydrophobicContact CB-CD2 4.2Å; L271-W583 HydrophobicContact CB-CE3 3.94Å; L271-W583 HydrophobicContact CB-CH2 4.46Å; L271-W583 HydrophobicContact CB-CZ3 4.11Å; L271-W583 HydrophobicContact CD1-CE3 4.12Å; L271-W583 HydrophobicContact CD1-CH2 3.87Å; L271-W583 HydrophobicContact CD1-CZ3 3.5Å; L271-W583 VanDerWaalsContact CD1-CZ3 3.5Å; L271-W583 HydrophobicContact CG-CZ3 4.36Å; L271-L587 HydrophobicContact CD1-CD2 3.98Å; L271-L587 HydrophobicContact CD2-CD2 4.15Å
272D83.7Confident78.7Confident33 Ų3340.2 Ų40.218%0.17624%0.236CC..Hα-helixtrans-58.9-41.8176.8-154.930.1000110.3E268 L269 S276 R580E268-D272 WeakPolarHBondContact O-CB 3.47Å; E268-D272 PolarHBondContact O-N 2.92Å; L269-D272 PolarHBondContact O-N 3.38Å; D272-S276 WeakPolarHBondContact O-CB 3.44Å; D272-S276 PolarHBondContact O-N 2.87Å; D272-S276 PolarHBondContact O-OG 3.47Å; D272-R580 IonicContact OD2-NE 3.45Å
273Y84.5Confident78.6Confident56 Ų5639 Ų3922%0.2223%0.227CC..Hα-helixtrans-65.2-49.2175.6-175.1-113.3000112.8M153 T155 L160 M163 L269 L270 L271 F275 S276 S277M153-Y273 HydrophobicContact CE-CD1 3.18Å; M153-Y273 HydrophobicContact CE-CE1 3.26Å; M153-Y273 HydrophobicContact CE-CG 4.25Å; M153-Y273 HydrophobicContact SD-CD1 3.96Å; M153-Y273 HydrophobicContact SD-CE1 4.06Å; T155-Y273 HydrophobicContact CG2-CE1 4.25Å; T155-Y273 WeakPolarHBondContact CG2-OH 3.31Å; T155-Y273 PolarHBondContact OG1-OH 2.94Å; L160-Y273 HydrophobicContact CD2-CD1 4.16Å; L160-Y273 HydrophobicContact CD2-CE1 3.99Å; M163-Y273 HydrophobicContact CE-CD1 4.21Å; M163-Y273 HydrophobicContact CE-CD2 3.73Å; M163-Y273 HydrophobicContact CE-CE2 4.46Å; M163-Y273 HydrophobicContact CE-CG 3.6Å; M163-Y273 HydrophobicContact SD-CD1 4.49Å; M163-Y273 HydrophobicContact SD-CD2 4.27Å; M163-Y273 HydrophobicContact SD-CE2 4.44Å; M163-Y273 HydrophobicContact SD-CG 4.32Å; L269-Y273 VanDerWaalsContact O-CB 3.31Å; L269-Y273 WeakPolarHBondContact O-CB 3.18Å; L269-Y273 PolarHBondContact O-N 3.04Å; L270-Y273 PolarHBondContact O-N 2.9Å; L271-Y273 VanDerWaalsContact C-N 3.25Å; L271-Y273 PolarHBondContact O-N 2.89Å; Y273-F275 VanDerWaalsContact C-N 3.34Å; Y273-F275 PolarHBondContact O-N 3.35Å; Y273-S276 PolarHBondContact O-N 2.9Å; Y273-S277 WeakPolarHBondContact O-CB 2.99Å; Y273-S277 PolarHBondContact O-N 3.31Å; Y273-S277 PolarHBondContact O-OG 3.22Å; Y273-S277 VanDerWaalsContact O-OG 3.06Å
274I85Confident78.1Confident6 Ų642.2 Ų42.23%0.03124%0.244CC..Hα-helixtrans-55.8-48177.6-71.7162.5000111.5L149 M153 L270 L271 S277 C278 L481 A484 V488L149-I274 HydrophobicContact CD1-CD1 4.25Å; M153-I274 HydrophobicContact CE-CB 4.24Å; M153-I274 HydrophobicContact CE-CG1 3.56Å; M153-I274 HydrophobicContact SD-CD1 4.39Å; M153-I274 HydrophobicContact SD-CG1 3.59Å; M153-I274 VanDerWaalsContact SD-CG1 3.59Å; L270-I274 WeakPolarHBondContact O-CB 3.33Å; L270-I274 WeakPolarHBondContact O-CD1 3.34Å; L270-I274 WeakPolarHBondContact O-CG1 3.25Å; L270-I274 PolarHBondContact O-N 2.91Å; L271-I274 PolarHBondContact O-N 3.07Å; I274-S277 PolarHBondContact O-N 3.01Å; I274-C278 PolarHBondContact O-N 2.8Å; I274-L481 HydrophobicContact CG2-CD1 3.48Å; I274-L481 VanDerWaalsContact CG2-CD1 3.48Å; I274-A484 HydrophobicContact CD1-CB 3.89Å; I274-A484 HydrophobicContact CG1-CB 4.19Å; I274-A484 HydrophobicContact CG2-CB 4.23Å; I274-V488 HydrophobicContact CD1-CB 4.42Å; I274-V488 HydrophobicContact CD1-CG2 3.55Å
275F83.2Confident77.6Confident18 Ų1842.4 Ų42.48%0.07925%0.249CC..Hα-helixtrans-75.7-27.3-178.1-79.6-83.7000112.7L271 Y273 L283 W583 C586 L587 L590L271-F275 HydrophobicContact CD2-CE2 4.37Å; L271-F275 VanDerWaalsContact O-CD2 3.3Å; L271-F275 WeakPolarHBondContact O-CD2 3.34Å; L271-F275 PolarHBondContact O-N 3.01Å; Y273-F275 VanDerWaalsContact C-N 3.34Å; Y273-F275 PolarHBondContact O-N 3.35Å; F275-L283 HydrophobicContact CD1-CD1 4.36Å; F275-L283 HydrophobicContact CD1-CD2 4.2Å; F275-L283 HydrophobicContact CE1-CD1 4.01Å; F275-L283 HydrophobicContact CE1-CD2 4.5Å; F275-W583 HydrophobicContact CB-CB 3.66Å; F275-W583 HydrophobicContact CD1-CB 4.38Å; F275-W583 HydrophobicContact CD2-CB 3.58Å; F275-W583 HydrophobicContact CE2-CB 4.31Å; F275-W583 HydrophobicContact CG-CB 3.61Å; F275-C586 HydrophobicContact CD1-CB 3.94Å; F275-C586 HydrophobicContact CE1-CB 3.49Å; F275-C586 VanDerWaalsContact CE1-CB 3.49Å; F275-C586 HydrophobicContact CZ-CB 4.22Å; F275-L587 HydrophobicContact CE2-CB 4.09Å; F275-L587 HydrophobicContact CE2-CD1 4.44Å; F275-L587 HydrophobicContact CZ-CB 3.96Å; F275-L587 HydrophobicContact CZ-CD1 4.4Å; F275-L590 HydrophobicContact CE1-CD1 4.1Å; F275-L590 HydrophobicContact CZ-CD1 3.95Å
276S80.4Confident77.2Confident91 Ų9139.1 Ų39.164%0.63624%0.235SC*.Hα-helixtrans-72.6-32.2173.1-62.10000112.5D272 Y273 C278D272-S276 WeakPolarHBondContact O-CB 3.44Å; D272-S276 PolarHBondContact O-N 2.87Å; D272-S276 PolarHBondContact O-OG 3.47Å; Y273-S276 PolarHBondContact O-N 2.9Å; S276-C278 VanDerWaalsContact C-N 3.3Å
277S77.8Confident76.9Confident69 Ų6940.6 Ų40.648%0.48324%0.242SC..Hα-helixtrans-79-12.1176.9-620000113.2Y273 I274 P279Y273-S277 WeakPolarHBondContact O-CB 2.99Å; Y273-S277 PolarHBondContact O-N 3.31Å; Y273-S277 PolarHBondContact O-OG 3.22Å; Y273-S277 VanDerWaalsContact O-OG 3.06Å; I274-S277 PolarHBondContact O-N 3.01Å; S277-P279 WeakPolarHBondContact O-CD 3.08Å
278C75.2Confident76.2Confident21 Ų2143 Ų4314%0.14225%0.254CS..SBendtrans-95.4119.3178.6-168.60000111I274 S276 D280 L481I274-C278 PolarHBondContact O-N 2.8Å; S276-C278 VanDerWaalsContact C-N 3.3Å; C278-D280 PolarHBondContact O-N 2.82Å; C278-L481 HydrophobicContact CB-CD1 4.41Å
279P71.4Confident75.7Confident69 Ų6945 Ų4545%0.44827%0.269SS..  trans-58.4131.6176.1-25.633.6000113.1S277 A281 K282 L283S277-P279 WeakPolarHBondContact O-CD 3.08Å; P279-A281 PolarHBondContact O-N 2.68Å; P279-A281 VanDerWaalsContact O-N 3.09Å; P279-K282 HydrophobicContact CB-CB 4.46Å; P279-K282 HydrophobicContact CB-CD 4.16Å; P279-K282 HydrophobicContact CB-CG 4.17Å; P279-K282 HydrophobicContact CG-CD 3.87Å; P279-K282 HydrophobicContact CG-CG 4.44Å; P279-K282 WeakPolarHBondContact O-CB 2.96Å; P279-K282 PolarHBondContact O-N 3.22Å; P279-L283 PolarHBondContact O-N 3.43Å; P279-L283 VanDerWaalsContact O-N 3.08Å
280D68.4Low75.2Confident107 Ų10743.9 Ų43.957%0.57226%0.263SS*.Hα-helixtrans-49-40.5-179.7-81.1-11.3000113.1C278 K282 L283 L284 R582C278-D280 PolarHBondContact O-N 2.82Å; D280-K282 VanDerWaalsContact C-N 3.34Å; D280-K282 PolarHBondContact O-N 3.22Å; D280-L283 PolarHBondContact O-N 3.48Å; D280-L284 WeakPolarHBondContact O-CB 3.27Å; D280-L284 PolarHBondContact O-N 3.15Å; D280-R582 IonicContact OD2-NH1 3.98Å
281A63.6Low74.6Confident79 Ų7944.4 Ų44.465%0.65327%0.266SS*.Hα-helixtrans-62.7-38.4178.600000112.9P279 A285P279-A281 PolarHBondContact O-N 2.68Å; P279-A281 VanDerWaalsContact O-N 3.09Å; A281-A285 WeakPolarHBondContact O-CB 3.27Å; A281-A285 PolarHBondContact O-N 3.45Å
282K68.8Low73.9Confident88 Ų8850.8 Ų50.838%0.38329%0.294SS..Hα-helixtrans-74.4-39.6179.3-66.3-178.5174.6-166.20111.3P279 D280 A285 T286 E477P279-K282 HydrophobicContact CB-CB 4.46Å; P279-K282 HydrophobicContact CB-CD 4.16Å; P279-K282 HydrophobicContact CB-CG 4.17Å; P279-K282 HydrophobicContact CG-CD 3.87Å; P279-K282 HydrophobicContact CG-CG 4.44Å; P279-K282 WeakPolarHBondContact O-CB 2.96Å; P279-K282 PolarHBondContact O-N 3.22Å; D280-K282 VanDerWaalsContact C-N 3.34Å; D280-K282 PolarHBondContact O-N 3.22Å; K282-A285 PolarHBondContact O-N 3.34Å; K282-T286 WeakPolarHBondContact O-CB 3.48Å; K282-T286 PolarHBondContact O-N 2.86Å; K282-T286 PolarHBondContact O-OG1 3.08Å; K282-E477 WeakPolarHBondContact CD-OE2 3.28Å; K282-E477 WeakPolarHBondContact CE-OE2 3.33Å; K282-E477 IonicContact NZ-OE1 3.66Å; K282-E477 PolarHBondContact NZ-OE1 2.97Å; K282-E477 IonicContact NZ-OE2 3.28Å; K282-E477 PolarHBondContact NZ-OE2 3.42Å
283L70.7Confident73.2Confident12 Ų1251.1 Ų51.16%0.06331%0.305CS..Hα-helixtrans-60.4-47.8173.8-179.963.3000110.8F275 P279 D280 T286 M287 L481 C586F275-L283 HydrophobicContact CD1-CD1 4.36Å; F275-L283 HydrophobicContact CD1-CD2 4.2Å; F275-L283 HydrophobicContact CE1-CD1 4.01Å; F275-L283 HydrophobicContact CE1-CD2 4.5Å; P279-L283 PolarHBondContact O-N 3.43Å; P279-L283 VanDerWaalsContact O-N 3.08Å; D280-L283 PolarHBondContact O-N 3.48Å; L283-T286 WeakPolarHBondContact O-CB 3.22Å; L283-T286 PolarHBondContact O-N 3.29Å; L283-M287 HydrophobicContact CD1-SD 4.27Å; L283-M287 HydrophobicContact CG-SD 3.98Å; L283-M287 VanDerWaalsContact O-CG 3.31Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 3.34Å; L283-L481 HydrophobicContact CD1-CD2 3.74Å; L283-C586 HydrophobicContact CD2-CB 4.06Å
284L68.2Low72.5Confident70 Ų7049.4 Ų49.437%0.36630%0.298SS..Hα-helixtrans-63.1-43.4177.6-172.866.9000111.9D280 T286 M287 N288D280-L284 WeakPolarHBondContact O-CB 3.27Å; D280-L284 PolarHBondContact O-N 3.15Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.72Å; L284-M287 PolarHBondContact O-N 2.95Å; L284-N288 WeakPolarHBondContact O-CB 3.46Å; L284-N288 VanDerWaalsContact O-CG 3.23Å; L284-N288 PolarHBondContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 3.39Å
285A68.5Low71.7Confident44 Ų4451 Ų5136%0.36431%0.306SS..Hα-helixtrans-59.8-42.5175.400000112A281 K282 S289A281-A285 WeakPolarHBondContact O-CB 3.27Å; A281-A285 PolarHBondContact O-N 3.45Å; K282-A285 PolarHBondContact O-N 3.34Å; A285-S289 WeakPolarHBondContact O-CB 3.37Å; A285-S289 PolarHBondContact O-N 3.18Å
286T69.2Low70.9Confident5 Ų555.1 Ų55.13%0.03133%0.329CS..Hα-helixtrans-60.7-51.2175.4-61.20000111.2K282 L283 L284 N288 S289 L290 W473 S478 L590K282-T286 WeakPolarHBondContact O-CB 3.48Å; K282-T286 PolarHBondContact O-N 2.86Å; K282-T286 PolarHBondContact O-OG1 3.08Å; L283-T286 WeakPolarHBondContact O-CB 3.22Å; L283-T286 PolarHBondContact O-N 3.29Å; L284-T286 VanDerWaalsContact C-N 3.32Å; L284-T286 PolarHBondContact O-N 2.72Å; T286-N288 PolarHBondContact O-N 2.67Å; T286-S289 PolarHBondContact O-N 2.76Å; T286-L290 HydrophobicContact CG2-CD1 4.21Å; T286-L290 WeakPolarHBondContact O-CG 3.18Å; T286-L290 PolarHBondContact O-N 2.83Å; T286-W473 HydrophobicContact CG2-CZ3 4.21Å; T286-S478 VanDerWaalsContact CG2-CB 3.46Å; T286-S478 VanDerWaalsContact OG1-CB 3.26Å; T286-S478 WeakPolarHBondContact OG1-CB 3.46Å; T286-L590 HydrophobicContact CG2-CD2 4.19Å
287M72.4Confident70.3Confident39 Ų3952.9 Ų52.919%0.19231%0.313CS..Hα-helixtrans-59.9-47.2179.6-70.3167.570.500111.4L283 L284 S289 L290 L291 C589 L590L283-M287 HydrophobicContact CD1-SD 4.27Å; L283-M287 HydrophobicContact CG-SD 3.98Å; L283-M287 VanDerWaalsContact O-CG 3.31Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 3.34Å; L284-M287 PolarHBondContact O-N 2.95Å; M287-S289 VanDerWaalsContact C-N 3.3Å; M287-S289 PolarHBondContact O-N 3.2Å; M287-L290 PolarHBondContact O-N 3.26Å; M287-L291 WeakPolarHBondContact O-CB 3.37Å; M287-L291 PolarHBondContact O-N 2.9Å; M287-C589 HydrophobicContact CE-CB 3.72Å; M287-C589 WeakPolarHBondContact CE-SG 3.45Å; M287-L590 HydrophobicContact CG-CD2 4.39Å
288N70.6Confident69.4Low51 Ų5150 Ų5027%0.27329%0.293SS..Hα-helixtrans-62-38.6178.3-73-14.4000111.9L284 T286 K292L284-N288 WeakPolarHBondContact O-CB 3.46Å; L284-N288 VanDerWaalsContact O-CG 3.23Å; L284-N288 PolarHBondContact O-N 3.12Å; L284-N288 PolarHBondContact O-ND2 3.39Å; T286-N288 PolarHBondContact O-N 2.67Å; N288-K292 WeakPolarHBondContact O-CB 3.41Å; N288-K292 VanDerWaalsContact O-CG 3.25Å; N288-K292 WeakPolarHBondContact O-CG 3.39Å; N288-K292 PolarHBondContact O-N 3.46Å
289S72.2Confident68.5Low46 Ų4651.1 Ų51.132%0.32230%0.301SS..Hα-helixtrans-70.2-42178.7-168.90000112.5A285 T286 M287 L291 G293 P474A285-S289 WeakPolarHBondContact O-CB 3.37Å; A285-S289 PolarHBondContact O-N 3.18Å; T286-S289 PolarHBondContact O-N 2.76Å; M287-S289 VanDerWaalsContact C-N 3.3Å; M287-S289 PolarHBondContact O-N 3.2Å; S289-L291 VanDerWaalsContact C-N 3.33Å; S289-G293 PolarHBondContact O-N 3.46Å; S289-P474 WeakPolarHBondContact OG-CB 3.02Å; S289-P474 WeakPolarHBondContact OG-CG 3.34Å
290L72.1Confident67.7Low16 Ų1651.4 Ų51.48%0.08430%0.304CS..Hα-helixtrans-63-42.8174.2-71173.3000111.2T286 M287 G293 W294 W473 L590 C593T286-L290 HydrophobicContact CG2-CD1 4.21Å; T286-L290 WeakPolarHBondContact O-CG 3.18Å; T286-L290 PolarHBondContact O-N 2.83Å; M287-L290 PolarHBondContact O-N 3.26Å; L290-G293 PolarHBondContact O-N 2.85Å; L290-W294 WeakPolarHBondContact O-CB 3.39Å; L290-W294 PolarHBondContact O-N 3.49Å; L290-W473 HydrophobicContact CD1-CE3 4.38Å; L290-W473 HydrophobicContact CD1-CH2 3.87Å; L290-W473 HydrophobicContact CD1-CZ3 3.56Å; L290-W473 HydrophobicContact CD2-CE3 4.1Å; L290-W473 HydrophobicContact CD2-CH2 4.33Å; L290-W473 HydrophobicContact CD2-CZ3 4Å; L290-W473 HydrophobicContact CG-CZ3 4.21Å; L290-L590 HydrophobicContact CD1-CD2 3.83Å; L290-C593 HydrophobicContact CB-CB 3.89Å; L290-C593 HydrophobicContact CD1-CB 4.28Å
291L73.6Confident66.7Low11 Ų1151.4 Ų51.46%0.05831%0.305CS..Hα-helixtrans-64.7-45-179.8-171.556.3000111.7M287 S289 G293 W294 I295 L546 E547 L550M287-L291 WeakPolarHBondContact O-CB 3.37Å; M287-L291 PolarHBondContact O-N 2.9Å; S289-L291 VanDerWaalsContact C-N 3.33Å; L291-G293 VanDerWaalsContact C-N 3.33Å; L291-G293 PolarHBondContact O-N 3.14Å; L291-W294 HydrophobicContact CD1-CE3 3.94Å; L291-W294 HydrophobicContact CD1-CZ3 4.43Å; L291-W294 PolarHBondContact O-N 3.34Å; L291-I295 HydrophobicContact CG-CD1 4.15Å; L291-I295 VanDerWaalsContact O-CG1 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.49Å; L291-L546 HydrophobicContact CD1-CD2 3.82Å; L291-L546 HydrophobicContact CD1-CG 4.28Å; L291-E547 HydrophobicContact CD2-CB 4.45Å; L291-E547 HydrophobicContact CD2-CG 3.23Å; L291-E547 HydrophobicContact CG-CG 4.19Å; L291-L550 HydrophobicContact CD1-CD2 3.83Å; L291-L550 HydrophobicContact CD2-CD2 4.28Å
292K71.7Confident65.7Low136 Ų13648.5 Ų48.559%0.59128%0.281SS*.Hα-helixtrans-58.6-44.3171.1-76.6177-179.6-175.50111.9N288 W294 I295 N296N288-K292 WeakPolarHBondContact O-CB 3.41Å; N288-K292 VanDerWaalsContact O-CG 3.25Å; N288-K292 WeakPolarHBondContact O-CG 3.39Å; N288-K292 PolarHBondContact O-N 3.46Å; K292-W294 VanDerWaalsContact C-N 3.29Å; K292-W294 PolarHBondContact O-N 2.92Å; K292-I295 PolarHBondContact O-N 3.37Å; K292-N296 WeakPolarHBondContact O-CB 3.4Å; K292-N296 PolarHBondContact O-N 2.91Å; K292-N296 PolarHBondContact O-ND2 2.97Å
293G70Confident64.4Low40 Ų4051.3 Ų51.341%0.41230%0.299SS..Hα-helixtrans-59.1-41.8175.800000112.3S289 L290 L291 S297S289-G293 PolarHBondContact O-N 3.46Å; L290-G293 PolarHBondContact O-N 2.85Å; L291-G293 VanDerWaalsContact C-N 3.33Å; L291-G293 PolarHBondContact O-N 3.14Å; G293-S297 PolarHBondContact O-N 3.12Å
294W69.9Low62.9Low20 Ų2056.5 Ų56.58%0.07633%0.327CS..Hα-helixtrans-68.2-46.7178.1-173.834.6000112.4L290 L291 K292 N296 S297 V298 L511 L546L290-W294 WeakPolarHBondContact O-CB 3.39Å; L290-W294 PolarHBondContact O-N 3.49Å; L291-W294 HydrophobicContact CD1-CE3 3.94Å; L291-W294 HydrophobicContact CD1-CZ3 4.43Å; L291-W294 PolarHBondContact O-N 3.34Å; K292-W294 VanDerWaalsContact C-N 3.29Å; K292-W294 PolarHBondContact O-N 2.92Å; W294-N296 VanDerWaalsContact C-N 3.26Å; W294-N296 PolarHBondContact O-N 2.92Å; W294-S297 WeakPolarHBondContact O-CA 3.44Å; W294-S297 WeakPolarHBondContact O-CB 3.31Å; W294-S297 PolarHBondContact O-N 3.06Å; W294-S297 PolarHBondContact O-OG 2.87Å; W294-V298 WeakPolarHBondContact O-CG2 3.43Å; W294-V298 PolarHBondContact O-N 3.06Å; W294-L511 HydrophobicContact CH2-CB 3.27Å; W294-L511 HydrophobicContact CH2-CD1 3.73Å; W294-L511 HydrophobicContact CH2-CD2 4.47Å; W294-L511 HydrophobicContact CH2-CG 3.99Å; W294-L511 HydrophobicContact CZ2-CB 3.88Å; W294-L511 HydrophobicContact CZ3-CB 4.25Å; W294-L511 HydrophobicContact CZ3-CD1 4.28Å; W294-L546 HydrophobicContact CD2-CD2 4.28Å; W294-L546 HydrophobicContact CE3-CD1 4.31Å; W294-L546 HydrophobicContact CE3-CD2 3.65Å; W294-L546 HydrophobicContact CE3-CG 4.32Å; W294-L546 HydrophobicContact CH2-CD1 3.97Å; W294-L546 HydrophobicContact CZ3-CD1 3.71Å; W294-L546 HydrophobicContact CZ3-CD2 3.9Å; W294-L546 HydrophobicContact CZ3-CG 4.07Å
295I67.1Low61.6Low40 Ų4055.8 Ų55.821%0.20532%0.324CS..Hα-helixtrans-55.8-44.1176.1-68.8164.1000110.7L291 K292 S297 V298 S299 E515 L546L291-I295 HydrophobicContact CG-CD1 4.15Å; L291-I295 VanDerWaalsContact O-CG1 3.27Å; L291-I295 WeakPolarHBondContact O-CG1 3.49Å; L291-I295 PolarHBondContact O-N 3.49Å; K292-I295 PolarHBondContact O-N 3.37Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 3.16Å; I295-V298 PolarHBondContact O-N 3.26Å; I295-S299 VanDerWaalsContact O-CB 3.32Å; I295-S299 WeakPolarHBondContact O-CB 3.44Å; I295-S299 PolarHBondContact O-N 2.93Å; I295-S299 PolarHBondContact O-OG 3.01Å; I295-E515 VanDerWaalsContact CA-OE1 3.3Å; I295-E515 WeakPolarHBondContact CA-OE1 3.24Å; I295-L546 HydrophobicContact CD1-CD2 4.1Å; I295-L546 HydrophobicContact CG1-CD2 3.41Å; I295-L546 VanDerWaalsContact CG1-CD2 3.41Å
296N68.1Low60Low103 Ų10361.6 Ų61.655%0.55134%0.341SS*.Hα-helixtrans-64.1-35.7176.7-67.8-16.7000112.4K292 W294 S299 S300K292-N296 WeakPolarHBondContact O-CB 3.4Å; K292-N296 PolarHBondContact O-N 2.91Å; K292-N296 PolarHBondContact O-ND2 2.97Å; W294-N296 VanDerWaalsContact C-N 3.26Å; W294-N296 PolarHBondContact O-N 2.92Å; N296-S299 WeakPolarHBondContact CA-OG 3.27Å; N296-S299 PolarHBondContact O-OG 2.82Å; N296-S299 VanDerWaalsContact O-OG 3.11Å; N296-S300 WeakPolarHBondContact O-CB 3.44Å; N296-S300 PolarHBondContact O-N 2.96Å; N296-S300 VanDerWaalsContact O-N 3.08Å; N296-S300 PolarHBondContact O-OG 3.43Å
297S66.1Low58.3Low45 Ų4568.4 Ų68.432%0.31538%0.376SS..Hα-helixtrans-72-34176.977.70000113.5G293 W294 I295 S300 N301G293-S297 PolarHBondContact O-N 3.12Å; W294-S297 WeakPolarHBondContact O-CA 3.44Å; W294-S297 WeakPolarHBondContact O-CB 3.31Å; W294-S297 PolarHBondContact O-N 3.06Å; W294-S297 PolarHBondContact O-OG 2.87Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 3.16Å; S297-S300 WeakPolarHBondContact CA-OG 3.44Å; S297-S300 PolarHBondContact O-OG 2.83Å; S297-S300 VanDerWaalsContact O-OG 3.09Å; S297-N301 PolarHBondContact O-ND2 3.22Å
298V59.8Low56.4Low8 Ų868.2 Ų68.25%0.04837%0.374CS..Hα-helixtrans-79.5-39.1179.7177.20000110.6W294 I295 N301 A302 E515 R516W294-V298 WeakPolarHBondContact O-CG2 3.43Å; W294-V298 PolarHBondContact O-N 3.06Å; I295-V298 PolarHBondContact O-N 3.26Å; V298-N301 PolarHBondContact O-N 3.45Å; V298-A302 PolarHBondContact O-N 3.18Å; V298-E515 VanDerWaalsContact CB-OE2 3.26Å; V298-E515 WeakPolarHBondContact CB-OE2 3.26Å; V298-E515 HydrophobicContact CG1-CB 4.12Å; V298-E515 HydrophobicContact CG1-CG 3.98Å; V298-E515 WeakPolarHBondContact CG1-OE2 3.32Å; V298-E515 WeakPolarHBondContact CG2-OE2 3.47Å; V298-R516 HydrophobicContact CG1-CG 3.84Å
299S56.6Low54.6Low45 Ų4570.9 Ų70.932%0.31539%0.385SS..Hα-helixtrans-67.8-37.7175.555.80000113.3I295 N296 N301 A302I295-S299 VanDerWaalsContact O-CB 3.32Å; I295-S299 WeakPolarHBondContact O-CB 3.44Å; I295-S299 PolarHBondContact O-N 2.93Å; I295-S299 PolarHBondContact O-OG 3.01Å; N296-S299 WeakPolarHBondContact CA-OG 3.27Å; N296-S299 PolarHBondContact O-OG 2.82Å; N296-S299 VanDerWaalsContact O-OG 3.11Å; S299-N301 VanDerWaalsContact C-N 3.29Å; S299-N301 PolarHBondContact O-N 2.81Å; S299-A302 WeakPolarHBondContact O-CB 3.34Å; S299-A302 PolarHBondContact O-N 2.95Å
300S53.4Low52.7Low74 Ų7477.5 Ų77.552%0.51741%0.408SS..Hα-helixtrans-65.2-31.817549.80000113.1N296 S297 A302N296-S300 WeakPolarHBondContact O-CB 3.44Å; N296-S300 PolarHBondContact O-N 2.96Å; N296-S300 VanDerWaalsContact O-N 3.08Å; N296-S300 PolarHBondContact O-OG 3.43Å; S297-S300 WeakPolarHBondContact CA-OG 3.44Å; S297-S300 PolarHBondContact O-OG 2.83Å; S297-S300 VanDerWaalsContact O-OG 3.09Å; S300-A302 PolarHBondContact O-N 3.08Å
301N48.7Very low50.8Low108 Ų10882.3 Ų82.358%0.57844%0.438SS*.G310 helixtrans-75.6-4.5171.1-75.8-32.4000113.6S297 V298 S299 N303 D304S297-N301 PolarHBondContact O-ND2 3.22Å; V298-N301 PolarHBondContact O-N 3.45Å; S299-N301 VanDerWaalsContact C-N 3.29Å; S299-N301 PolarHBondContact O-N 2.81Å; N301-N303 PolarHBondContact O-N 3.39Å; N301-D304 PolarHBondContact O-N 3.21Å
302A43.1Very low48.6Very low18 Ų1889.2 Ų89.215%0.14947%0.465CS..G310 helixtrans-68.5-16.4176.400000112.5V298 S299 S300 D304 L305V298-A302 PolarHBondContact O-N 3.18Å; S299-A302 WeakPolarHBondContact O-CB 3.34Å; S299-A302 PolarHBondContact O-N 2.95Å; S300-A302 PolarHBondContact O-N 3.08Å; A302-D304 PolarHBondContact O-N 2.96Å; A302-L305 HydrophobicContact CB-CD1 3.89Å; A302-L305 WeakPolarHBondContact O-CB 3.28Å; A302-L305 WeakPolarHBondContact O-CD1 3.26Å; A302-L305 WeakPolarHBondContact O-CG 3.34Å; A302-L305 PolarHBondContact O-N 2.81Å
303N39.9Very low46.3Very low146 Ų14686.9 Ų86.978%0.78147%0.465SS*.G310 helixtrans-64-11.2175.6-72.7-27.5000114.3N301 L305N301-N303 PolarHBondContact O-N 3.39Å; N303-L305 PolarHBondContact O-N 3.49Å
304D40Very low44.4Very low121 Ų12190.3 Ų90.365%0.64748%0.48SS*.G310 helixtrans-79.59.4166.1-84.2-20.1000113.9N301 A302 K306 L307N301-D304 PolarHBondContact O-N 3.21Å; A302-D304 PolarHBondContact O-N 2.96Å; D304-K306 PolarHBondContact O-N 3.03Å; D304-L307 PolarHBondContact O-N 2.93Å
305L40.3Very low42.2Very low55 Ų5597.1 Ų97.129%0.28852%0.518SS..G310 helixtrans-56.3-14.3175.3-91.5159.9000114.4A302 N303 L307 F308 W520A302-L305 HydrophobicContact CB-CD1 3.89Å; A302-L305 WeakPolarHBondContact O-CB 3.28Å; A302-L305 WeakPolarHBondContact O-CD1 3.26Å; A302-L305 WeakPolarHBondContact O-CG 3.34Å; A302-L305 PolarHBondContact O-N 2.81Å; N303-L305 PolarHBondContact O-N 3.49Å; L305-L307 PolarHBondContact O-N 3.03Å; L305-L307 VanDerWaalsContact O-N 3.07Å; L305-F308 HydrophobicContact CD2-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.17Å; L305-W520 HydrophobicContact CD2-CG 4.5Å
306K34.9Very low40.4Very low167 Ų167101.2 Ų101.273%0.72655%0.545SS*.Hα-helixtrans-58.1-19.4172.1-73.9-175.3178177.80113.6D304 F308D304-K306 PolarHBondContact O-N 3.03Å; K306-F308 VanDerWaalsContact C-N 3.34Å
307L34.6Very low38.5Very low147 Ų147103.5 Ų103.577%0.7756%0.555SS**Hα-helixtrans-73.7-24.1175.5-13592.8000113.2D304 L305D304-L307 PolarHBondContact O-N 2.93Å; L305-L307 PolarHBondContact O-N 3.03Å; L305-L307 VanDerWaalsContact O-N 3.07Å
308F32.5Very low36.5Very low35 Ų35106.5 Ų106.515%0.15458%0.576CS.*Hα-helixtrans-80.9-37.7177-85-86.6000112.3P228 N229 L305 K306 K310 T311P228-F308 HydrophobicContact CG-CE1 4.13Å; P228-F308 HydrophobicContact CG-CZ 4.03Å; N229-F308 WeakPolarHBondContact OD1-CZ 3.26Å; L305-F308 HydrophobicContact CD2-CD2 4.3Å; L305-F308 PolarHBondContact O-N 3.17Å; K306-F308 VanDerWaalsContact C-N 3.34Å; F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 2.56Å; F308-T311 PolarHBondContact O-N 3.05Å; F308-T311 PolarHBondContact O-OG1 3.15Å
309E32.3Very low35Very low108 Ų108111.1 Ų111.151%0.50561%0.609SS.*Hα-helixtrans-65.5-30176.1-85.7-174.8149.700112.8T311 Y312 R527E309-T311 PolarHBondContact O-N 2.92Å; E309-Y312 CarbonylContact O-C 3.53Å; E309-Y312 PolarHBondContact O-N 2.99Å; E309-Y312 VanDerWaalsContact O-N 3.1Å; E309-R527 IonicContact OE1-CZ 3.06Å; E309-R527 IonicContact OE1-NH1 3.91Å; E309-R527 PolarHBondContact OE1-NH1 2.76Å; E309-R527 IonicContact OE1-NH2 2.8Å
310K32.5Very low33.7Very low185 Ų185118 Ų11880%0.80464%0.636SS**THydrogen-bonded Turntrans-70.3-10.8-179.3-109.9177.3179.8176.60115.4F308F308-K310 VanDerWaalsContact C-N 3.31Å; F308-K310 PolarHBondContact O-N 2.56Å
311T32.7Very low32.4Very low117 Ų117117.5 Ų117.572%0.71864%0.642SS**THydrogen-bonded Turntrans-99.8-4.51749.70000113.1F308 E309F308-T311 PolarHBondContact O-N 3.05Å; F308-T311 PolarHBondContact O-OG1 3.15Å; E309-T311 PolarHBondContact O-N 2.92Å
312Y27.3Very low31.3Very low156 Ų156117.5 Ų117.561%0.61265%0.651SS**  trans-115.179.1176.4-86.4-92.8000109.4E309E309-Y312 CarbonylContact O-C 3.53Å; E309-Y312 PolarHBondContact O-N 2.99Å; E309-Y312 VanDerWaalsContact O-N 3.1Å
313S23.5Very low30.7Very low86 Ų86123.2 Ų123.260%0.60168%0.679SS**  trans-117.2105.3160.7-54.80000107N315S313-N315 PolarHBondContact O-N 3.14Å
314P28.5Very low30.3Very low112 Ų112124.6 Ų124.673%0.72768%0.678SS**  trans-67.1105.3167.427.2-27000106.2V316P314-V316 PolarHBondContact O-N 3.19Å
315N24.8Very low29.7Very low163 Ų163125.4 Ų125.487%0.87268%0.682SS**  trans-64.579.2164.2-81.2-22.5000108S313S313-N315 PolarHBondContact O-N 3.14Å
316V29Very low29.2Very low126 Ų126130.6 Ų130.676%0.76471%0.71SS**  trans-109.4102.5159.7-179.30000105.5P314 S318P314-V316 PolarHBondContact O-N 3.19Å; V316-S318 PolarHBondContact O-N 3.27Å; V316-S318 VanDerWaalsContact O-N 3.13Å
317I28.2Very low28.7Very low151 Ų151129.4 Ų129.477%0.77471%0.711SS**  trans-51.5113.9174.6-66.5163.4000108.1S319I317-S319 PolarHBondContact O-N 3.34Å
318S23.8Very low28.3Very low108 Ų108129.9 Ų129.976%0.75571%0.709SS**  trans-69.4106159.957.60000108.1V316V316-S318 PolarHBondContact O-N 3.27Å; V316-S318 VanDerWaalsContact O-N 3.13Å
319S29.1Very low28Very low105 Ų105134.5 Ų134.573%0.73474%0.736SS**  trans-121115.4157.161.90000108.7I317I317-S319 PolarHBondContact O-N 3.34Å
320H27.6Very low27.7Very low191 Ų191136.5 Ų136.588%0.88475%0.748SS**  trans-47.2157.6178.5-73.1-89.8000116.3
321G27.7Very low27.4Very low63 Ų63132.6 Ų132.665%0.64974%0.744SS**  trans97.593.2155.900000112.6
322S25.9Very low27Very low108 Ų108134.4 Ų134.476%0.75575%0.749SS**  65132.389.372.20000113.9
323D30.5Very low27Very low137 Ų137132.6 Ų132.673%0.73376%0.756SS**  trans89.994173.1-54.5-35.1000115.4
324K29.6Very low27.4Very low176 Ų176133.5 Ų133.577%0.76576%0.76SS**  67.8118.584-76.3-177.5179.1172.20113.2
325N28.7Very low27.2Very low138 Ų138135.8 Ų135.874%0.73877%0.765SS**  trans68.6100.8151.2-52.4-15.6000116.2
326N28.8Very low27.5Very low163 Ų163133.7 Ų133.787%0.87276%0.758SS**  -176.8133109.1-89.9-29000112.4
327L25.3Very low27.5Very low143 Ų143133.9 Ų133.975%0.74976%0.76SS**  trans-55.7156.3169.5-85.8127.8000113.2
328Q26.7Very low27.5Very low157 Ų157132.2 Ų132.273%0.73476%0.759SS**  trans66.3108.7149.9-71.4168.32.500116.6
329N26.4Very low27.7Very low132 Ų132135.4 Ų135.471%0.70677%0.767SS**  155.3131.9108.7-89-29.7000114.3
330I25.7Very low27.5Very low150 Ų150141.3 Ų141.377%0.76977%0.773SS**  trans76.3132.2140-59.5162.3000116.3
331S25.6Very low27.5Very low102 Ų102139 Ų13971%0.71377%0.767SS**  cis-178.4147.2-12.451.40000107.1
332L24.2Very low27.5Very low156 Ų156140.9 Ų140.982%0.81777%0.766SS**  trans-55.6160.6170-79.592.2000113.7
333P27.6Very low27.6Very low118 Ų118142.2 Ų142.277%0.76677%0.765SS**  trans-85139.6149.132.8-26.6000112.1
334P32Very low27.4Very low105 Ų105142.1 Ų142.168%0.68276%0.764SS**  trans-109.2172.9-17841.3-35.1000115.5
335L24.8Very low27.3Very low159 Ų159140.8 Ų140.883%0.83277%0.765SS**  trans72.2146154.1-68.3152.1000118.1
336T29.6Very low27.2Very low119 Ų119141.8 Ų141.873%0.7376%0.764SS**  cis-157146.136.951.50000109.4
337T29.7Very low27.1Very low130 Ų130142 Ų14280%0.79876%0.758SS**  -161.4142.957.740.70000112.2
338P27.4Very low27.1Very low117 Ų117143.3 Ų143.376%0.7676%0.757SS**  trans-97.6152.7166.837-28.3000111.8
339L29.6Very low27.2Very low175 Ų175141.8 Ų141.892%0.91676%0.759SS**  trans-138.9108.7158.3-95165000109.3
340R24.5Very low27.1Very low228 Ų228145.5 Ų145.586%0.8676%0.764SS**  trans-77.1144156.8-93.3-175.4174.6-170.9-0.4107.9
341D28.3Very low27.1Very low144 Ų144141.3 Ų141.377%0.7776%0.758SS**  trans-170.7102.3132.2-93-15.1000108.5
342T25.9Very low27.3Very low101 Ų101144.8 Ų144.862%0.6276%0.763SS**  62.2101.4107.262.50000114.9
343N28.1Very low27.3Very low136 Ų136142.3 Ų142.373%0.72776%0.758SS**  164.9113.6108.2-81.7-32000112.8
344N26.7Very low27.5Very low135 Ų135145 Ų14572%0.72277%0.765SS**  78127.5128.2-64.7-20000122.6
345L26.9Very low27.1Very low148 Ų148145 Ų14578%0.77577%0.768SS**  trans96.892148.7-63.4143.9000115.8
346H26.8Very low27.2Very low159 Ų159147.1 Ų147.174%0.73677%0.77SS**  66.7128.788.3-81.3-77.4000110.8
347K27.9Very low27Very low169 Ų169145.4 Ų145.474%0.73577%0.768SS**  cis-176.4146.334.4-132.3167.4-177.7176.20107
348K25.2Very low26.7Very low169 Ų169148.3 Ų148.374%0.73577%0.77SS**  trans28.7135.1138-69177.2169.6-179.10118.3
349V28.9Very low26.6Very low126 Ų126147.2 Ų147.276%0.76476%0.762SS**  -171.8116.979.11620000107.2
350Y24.7Very low26.4Very low209 Ų209144.9 Ų144.982%0.8276%0.757SS**  52.6115.4102-86.9-94.7000114.8
351G25.3Very low26.4Very low62 Ų62140.9 Ų140.964%0.63975%0.753SS**  108.3119.479.200000107.7
352H29.3Very low26.1Very low176 Ų176140.7 Ų140.782%0.81575%0.752SS**  178.4125.977.5-91.2-79.1000106.3
353S25Very low26Very low103 Ų103142.7 Ų142.772%0.7276%0.758SS**  60.5109.486.8-49.60000114.8
354L30.4Very low25.9Very low174 Ų174140.6 Ų140.691%0.91176%0.755SS**  -164.4108.1120.2-103159.2000111.4
355S24.1Very low25.9Very low105 Ų105143.7 Ų143.773%0.73476%0.762SS**  trans-62.9141.3165.749.60000112.6
356K27.8Very low26Very low205 Ų205142.1 Ų142.189%0.89176%0.758SS**  trans-142107.6135.4-123.7174.9-176.3178.60108.4
357A24.7Very low26.1Very low83 Ų83141 Ų14169%0.68675%0.754SS**  trans-67.9149.8171.500000110.4
358F24.2Very low26.4Very low190 Ų190138.7 Ų138.783%0.83374%0.741SS**  trans-153.1114.5137.6-98.9-75.2000109.8
359T24.7Very low27Very low95 Ų95135.6 Ų135.658%0.58373%0.729SS**  trans49.6128.7145.548.70000121.9D361T359-D361 PolarHBondContact O-N 2.82Å
360P24.3Very low27.6Very low126 Ų126130.4 Ų130.482%0.81870%0.698SS**  trans-80.9103.1169.833.2-25.8000108.5
361D24.8Very low28.4Very low144 Ų144120.7 Ų120.777%0.7766%0.66SS**  trans-97.6131.1167.8-77.7-27000110.1T359T359-D361 PolarHBondContact O-N 2.82Å
362D23.1Very low28.8Very low140 Ų140121.4 Ų121.475%0.74966%0.655SS**SBendtrans-54.5155.7-178.3-67.5-53.2000114.3
363N23.7Very low29Very low142 Ų142115.8 Ų115.876%0.75963%0.634SS**  trans85.752.7160.1-52.5-43.9000120.1
364S26.2Very low29.2Very low93 Ų93113 Ų11365%0.6561%0.611SS**  trans-124.568158.757.70000113.4T366S364-T366 PolarHBondContact O-N 2.95Å; S364-T366 VanDerWaalsContact O-N 3.08Å
365F25.8Very low29.2Very low200 Ų200111 Ų11188%0.87760%0.6SS**  trans-70.980.8151.7-84.8-94.1000107.6
366T28.6Very low29.4Very low114 Ų114114.5 Ų114.570%0.69960%0.598SS**  trans-110102.6-170.938.10000112.8S364S364-T366 PolarHBondContact O-N 2.95Å; S364-T366 VanDerWaalsContact O-N 3.08Å
367E29.8Very low29.3Very low137 Ų137110.6 Ų110.664%0.6460%0.595SS**  trans62.7108.1156.8-72.1179.8143.300119.5H369E367-H369 PolarHBondContact O-N 3.1Å; E367-H369 IonicContact OE2-NE2 3.82Å
368Y33.2Very low29.5Very low119 Ų119114.8 Ų114.847%0.46760%0.601SS.*  trans-62.297.6155.8-176.6-100.3000109.7P370 L517 L521Y368-P370 HydrophobicContact CD1-CB 4.21Å; Y368-P370 HydrophobicContact CD1-CG 3.75Å; Y368-P370 HydrophobicContact CE1-CB 3.59Å; Y368-P370 HydrophobicContact CE1-CG 3.57Å; Y368-P370 WeakPolarHBondContact O-CD 3.36Å; Y368-L517 WeakPolarHBondContact OH-CD2 3.17Å; Y368-L521 HydrophobicContact CD1-CD1 3.91Å; Y368-L521 HydrophobicContact CD2-CD1 3.75Å; Y368-L521 HydrophobicContact CE1-CD1 3.82Å; Y368-L521 HydrophobicContact CE2-CD1 3.66Å; Y368-L521 HydrophobicContact CG-CD1 3.88Å
369H37.8Very low29.5Very low105 Ų105115.6 Ų115.649%0.48660%0.598SS.*  trans-89.1105.6166.2-83.5-54.7000109.9E367 I371E367-H369 PolarHBondContact O-N 3.1Å; E367-H369 IonicContact OE2-NE2 3.82Å; H369-I371 VanDerWaalsContact C-N 3.28Å; H369-I371 PolarHBondContact O-N 2.94Å
370P42.4Very low29.5Very low17 Ų17119.7 Ų119.711%0.1161%0.608CS.*SBendtrans-73-21.2-170.5-5.318.9000113Y368Y368-P370 HydrophobicContact CD1-CB 4.21Å; Y368-P370 HydrophobicContact CD1-CG 3.75Å; Y368-P370 HydrophobicContact CE1-CB 3.59Å; Y368-P370 HydrophobicContact CE1-CG 3.57Å; Y368-P370 WeakPolarHBondContact O-CD 3.36Å
371I41Very low29.4Very low5 Ų5122.8 Ų122.83%0.02661%0.612CS.*SBendtrans-15079-175.4-50.5-177000110.7L248 H369 I374 T549 V552L248-I371 HydrophobicContact CD1-CD1 4.01Å; H369-I371 VanDerWaalsContact C-N 3.28Å; H369-I371 PolarHBondContact O-N 2.94Å; I371-I374 HydrophobicContact CG2-CD1 4.38Å; I371-T549 HydrophobicContact CD1-CG2 3.64Å; I371-V552 HydrophobicContact CG2-CB 4.4Å; I371-V552 HydrophobicContact CG2-CG1 3.8Å; I371-V552 HydrophobicContact CG2-CG2 4.43Å
372S34.1Very low29.4Very low76 Ų76121 Ų12153%0.53161%0.606SS.*  trans-142.6129.6165-85.30000110.9
373P32.7Very low29.4Very low58 Ų58125.3 Ų125.338%0.37761%0.611SS.*  cis-129.3132.4-15.938.5-22.3000113.7I375 Y376P373-I375 HydrophobicContact CB-CB 3.85Å; P373-I375 HydrophobicContact CB-CG1 4.1Å; P373-I375 PolarHBondContact O-N 2.95Å; P373-Y376 HydrophobicContact CG-CD2 3.69Å; P373-Y376 HydrophobicContact CG-CG 4.37Å; P373-Y376 PolarHBondContact O-N 3.39Å; P373-Y376 VanDerWaalsContact O-N 3.16Å
374I29.3Very low29.5Very low44 Ų44125 Ų12523%0.22662%0.615CS.*THydrogen-bonded Turntrans-53-13.5157.6-63.2171.2000111.1I371 V552 H556I371-I374 HydrophobicContact CG2-CD1 4.38Å; I374-V552 HydrophobicContact CD1-CG1 3.87Å; I374-H556 WeakPolarHBondContact CG2-NE2 3.3Å
375I30.6Very low29.6Very low132 Ų132125.6 Ų125.668%0.67762%0.619SS**THydrogen-bonded Turntrans-76.3-21.2179.5-47.4177.8000113.6P373P373-I375 HydrophobicContact CB-CB 3.85Å; P373-I375 HydrophobicContact CB-CG1 4.1Å; P373-I375 PolarHBondContact O-N 2.95Å
376Y27.7Very low29.7Very low179 Ų179123.3 Ų123.370%0.70262%0.616SS**G310 helixtrans-86.2-17.5-178.6-107.4-94.2000115.2P373P373-Y376 HydrophobicContact CG-CD2 3.69Å; P373-Y376 HydrophobicContact CG-CG 4.37Å; P373-Y376 PolarHBondContact O-N 3.39Å; P373-Y376 VanDerWaalsContact O-N 3.16Å
377C27.4Very low29.7Very low124 Ų124123.8 Ų123.884%0.83862%0.62SS**G310 helixtrans-88.90.3-176.6-74.30000115.1
378Q28Very low29.5Very low170 Ų170120.4 Ų120.479%0.79462%0.623SS**G310 helixtrans-102.6-4.1174.9-85-178.4-1000114.7F380Q378-F380 PolarHBondContact O-N 3.41Å
379R23.8Very low29.4Very low207 Ų207123.9 Ų123.978%0.78164%0.643SS**SBendtrans-85.196.9168.5-91.4-177.7173.7165-1.2110.5
380F24.8Very low28.8Very low181 Ų181126.4 Ų126.479%0.79466%0.66SS**  trans36.1105.1140.9-76.9-87.8000117.7Q378 V382Q378-F380 PolarHBondContact O-N 3.41Å; F380-V382 HydrophobicContact CB-CG2 4.01Å; F380-V382 HydrophobicContact CD1-CG2 4.1Å; F380-V382 HydrophobicContact CG-CG2 4.45Å; F380-V382 PolarHBondContact O-N 2.75Å
381H23.5Very low28.1Very low192 Ų192131.8 Ų131.889%0.88970%0.697SS**  trans-60.583.3145.9-110.8-74.3000108.2
382V24.5Very low27.3Very low107 Ų107140 Ų14065%0.64874%0.735SS**  trans-101.6118.6160.3170.90000106F380 V384F380-V382 HydrophobicContact CB-CG2 4.01Å; F380-V382 HydrophobicContact CD1-CG2 4.1Å; F380-V382 HydrophobicContact CG-CG2 4.45Å; F380-V382 PolarHBondContact O-N 2.75Å; V382-V384 PolarHBondContact O-N 2.62Å
383R23.6Very low26.9Very low229 Ų229143.7 Ų143.786%0.86475%0.748SS**  trans-54.8119.6179.4-63.3178.9-175.8-177.30.7108.9
384V25.5Very low26.5Very low137 Ų137149.2 Ų149.283%0.8377%0.774SS**  trans-92.799.7162.1-1800000106.2V382V382-V384 PolarHBondContact O-N 2.62Å
385S26.9Very low26.2Very low105 Ų105153 Ų15373%0.73480%0.804SS**  trans-84.3131.5158.6-58.30000107.9
386D29.3Very low25.9Very low152 Ų152150.1 Ų150.181%0.81381%0.807SS**  trans69.6128.6165.7-94.9-29.5000122
387P27.4Very low25.7Very low123 Ų123149.7 Ų149.780%0.79981%0.814SS**  trans-95.5120.1172.535.6-24.7000110.3
388G26.4Very low25.5Very low67 Ų67151.2 Ų151.269%0.69181%0.813SS**  trans168.387.2172.700000113.6
389H30.8Very low25.4Very low191 Ų191150.5 Ų150.588%0.88481%0.813SS**  161.7113129.2-92.8-65.4000109.9C391H389-C391 PolarHBondContact O-N 2.98Å
390N26.1Very low25.5Very low158 Ų158147.5 Ų147.585%0.84581%0.808SS**  trans-60.3126.9157.4-72-23.1000108.3
391C27Very low25.6Very low131 Ų131145.6 Ų145.689%0.88581%0.811SS**  trans-161.2138.8141.1-99.30000109H389H389-C391 PolarHBondContact O-N 2.98Å
392E24.8Very low25.6Very low177 Ų177146.5 Ų146.583%0.82781%0.807SS**  trans-64.3157.2-171-62.9161.115300112.9
393N24.5Very low25.7Very low153 Ų153152.3 Ų152.382%0.81882%0.817SS**  trans33.5102.1152.2-70-22.5000116.5
394L24.1Very low25.9Very low175 Ų175146.6 Ų146.692%0.91681%0.812SS**  trans-164.6122.1144.3-101.2149.9000110.5
395S24.3Very low25.9Very low123 Ų123151.1 Ų151.186%0.8681%0.814SS**  trans-41.6138.6161.5-67.80000112.6
396G23.7Very low25.7Very low72 Ų72150.3 Ų150.374%0.74281%0.809SS**  trans96.5101.6154.300000115.6
397M22.5Very low25.6Very low169 Ų169152.2 Ų152.283%0.83381%0.812SS**  trans-153.792135.2-115.6-172.570.300110.5I399M397-I399 HydrophobicContact CE-CD1 4.31Å; M397-I399 HydrophobicContact CE-CG1 4.32Å
398L23.4Very low25.4Very low157 Ų157151.7 Ų151.782%0.82281%0.811SS**  trans-57.2131.6153.6-90.6148.1000109
399I26Very low25.3Very low154 Ų154154.6 Ų154.679%0.7982%0.815SS**  trans-110.5113.7142.8-63.4-178.2000107.8M397M397-I399 HydrophobicContact CE-CD1 4.31Å; M397-I399 HydrophobicContact CE-CG1 4.32Å
400Q25.5Very low24.9Very low144 Ų144151.1 Ų151.167%0.67381%0.813SS**  trans-84.8143.6-171.4-174.117618.200109.8
401T27.4Very low24.9Very low142 Ų142151.6 Ų151.687%0.87181%0.81SS**  -171.1128129.732.90000108.7
402R24Very low24.8Very low210 Ų210148.7 Ų148.779%0.79279%0.791SS**  cis-173.6118.4-11.4-161.9179.5-171.6-1753.6105.8
403R27.6Very low24.8Very low229 Ų229146 Ų14686%0.86479%0.792SS**  trans158.896.2134-88.4178.9174.9178.8-0.3111.7
404S25.9Very low25Very low109 Ų109145.2 Ų145.276%0.76278%0.783SS**  31133.5122.4-37.30000117.7
405R25.6Very low25.3Very low232 Ų232142 Ų14288%0.87576%0.763SS**  cis-169.5134.130.9-134.6172.4-173.7178.1-0.8108.9
406S24Very low25.6Very low88 Ų88144.7 Ų144.762%0.61576%0.762SS**  trans45.7107.414656.60000120.2
407H26.2Very low25.8Very low193 Ų193148.4 Ų148.489%0.89476%0.764SS**  -161.8135105.6-90-64.8000109.7
408S22.9Very low26.2Very low111 Ų111144.2 Ų144.278%0.77675%0.745SS**  trans-86119.4-172.647.20000111.8
409V25Very low26.6Very low128 Ų128145.3 Ų145.378%0.77674%0.74SS**  trans-141.2120.3147.4-179.90000107.4E411V409-E411 PolarHBondContact O-N 3.37Å
410S23.3Very low26.8Very low118 Ų118142.7 Ų142.783%0.82573%0.726SS**  trans-70.8108.417144.30000109.7
411E24.6Very low27Very low168 Ų168140 Ų14079%0.78572%0.717SS**  trans-120.2121.2166.4-93.1179.716800110.5V409V409-E411 PolarHBondContact O-N 3.37Å
412S24.7Very low27.1Very low71 Ų71135.3 Ų135.350%0.49770%0.696SS.*  trans-70142-176.876.80000111.1H414S412-H414 PolarHBondContact O-N 3.47Å
413S26.7Very low27.3Very low121 Ų121135.6 Ų135.685%0.84670%0.699SS**THydrogen-bonded Turntrans-65.627.1171.453.10000114.3
414H28.7Very low27.4Very low135 Ų135129 Ų12963%0.62568%0.684SS**THydrogen-bonded Turntrans-112.90.7179.5-82.2-77.1000113.6S412 N418S412-H414 PolarHBondContact O-N 3.47Å; H414-N418 PolarHBondContact O-ND2 3.3Å
415H28.7Very low27.4Very low109 Ų109129.8 Ų129.851%0.50569%0.685SS.*SBendtrans-86.4-11.3-179.5-89.3-64.8000116.1Y419H415-Y419 WeakPolarHBondContact O-CD2 3.26Å
416E30.5Very low27.4Very low179 Ų179123 Ų12384%0.83668%0.678SS**SBendtrans-87.7-12.3-177.1-70-174.2163.700114.4
417L29Very low27.7Very low150 Ų150126.4 Ų126.479%0.78569%0.69SS**SBendtrans-100.6-11.1175.7-81.6160.3000113.6
418N29.6Very low27.7Very low80 Ų80126.3 Ų126.343%0.42869%0.689SS.*Hα-helixtrans-87.2-2.1-174.6-75.6-14.3000114.8H414 G422H414-N418 PolarHBondContact O-ND2 3.3Å; N418-G422 VanDerWaalsContact O-CA 3.32Å; N418-G422 WeakPolarHBondContact O-CA 3.43Å; N418-G422 PolarHBondContact O-N 2.91Å
419Y32.4Very low28Very low181 Ų181129.4 Ų129.471%0.7169%0.691SS**Hα-helixtrans-79.5-15.8-179.8-84-85.3000114.2H415H415-Y419 WeakPolarHBondContact O-CD2 3.26Å
420L30.2Very low28Very low98 Ų98129.5 Ų129.551%0.51369%0.692SS.*Hα-helixtrans-98.5-24.4168.1-89.5149.6000112.7L543L420-L543 HydrophobicContact CB-CD1 4.41Å
421N30.4Very low28.3Very low88 Ų88131.2 Ų131.247%0.47169%0.692SS.*Hα-helixtrans-92.2-6.3177.5-90.79.6000114.7Y423N421-Y423 PolarHBondContact O-N 3.06Å
422G28.3Very low28.5Very low43 Ų43128.5 Ų128.544%0.44369%0.692SS.*THydrogen-bonded Turntrans-88.15-166.600000117.3N418N418-G422 VanDerWaalsContact O-CA 3.32Å; N418-G422 WeakPolarHBondContact O-CA 3.43Å; N418-G422 PolarHBondContact O-N 2.91Å
423Y29.5Very low28.7Very low216 Ų216128.9 Ų128.985%0.84771%0.707SS**THydrogen-bonded Turntrans-129.78.4-171.4-80.8-79.2000116.5N421N421-Y423 PolarHBondContact O-N 3.06Å
424T28.5Very low28.8Very low90 Ų90132.5 Ų132.555%0.55271%0.708SS**SBendtrans-975.9172.931.60000114.9D541T424-D541 PolarHBondContact OG1-OD2 2.88Å
425T25.7Very low28.8Very low126 Ų126131.5 Ų131.577%0.77372%0.715SS**  trans-133.791.6-178.240.50000113.1
426A26.9Very low28.8Very low89 Ų89131 Ų13174%0.73672%0.724SS**  trans-142107.5155.700000110.5
427N29.3Very low28.6Very low161 Ų161129.7 Ų129.786%0.86172%0.723SS**  trans90.485.1153.6-55.7-16.2000119.2
428H26.6Very low28.7Very low190 Ų190129.5 Ų129.588%0.8872%0.718SS**  trans-62132.2139.5-77.2-76.9000110.5
429Q29.2Very low28.7Very low176 Ų176135.1 Ų135.182%0.82273%0.733SS**  170.2114.7113.1-96.3177.2-1300110.7
430T25.7Very low28.4Very low130 Ų130133.4 Ų133.480%0.79874%0.737SS**  trans-2.3119.8143.736.40000116.6
431D29.9Very low28.2Very low155 Ų155136.2 Ų136.283%0.82975%0.751SS**  -159150.5111.6-124.2-33.1000114.6
432S28.2Very low28.2Very low110 Ų110136.8 Ų136.877%0.76976%0.76SS**  trans-62146.7-17656.10000115.6
433G29Very low28Very low79 Ų79140.5 Ų140.581%0.81477%0.774SS**  trans167.1101.816900000116.6
434K27.8Very low27.9Very low198 Ų198137 Ų13786%0.86178%0.775SS**  trans-39.8159.7173.8-69.2164.3174173.60118.4
435S28.8Very low27.7Very low113 Ų113137 Ų13779%0.7978%0.779SS**  trans79143.5152.679.60000115.9
436S28.3Very low27.7Very low98 Ų98142.1 Ų142.169%0.68579%0.786SS**  cis-177.7146-7.440.60000104.9
437N27.1Very low27.5Very low152 Ų152143.2 Ų143.281%0.81378%0.783SS**  trans24.5123155.2-65.2-17.5000119
438E31.2Very low27.5Very low146 Ų146144.5 Ų144.568%0.68278%0.784SS**  170.7131.1114.3-92.3-178.5157.400114.3
439R30.3Very low27.4Very low198 Ų198143.6 Ų143.675%0.74778%0.78SS**  trans6999.3141.1-62.1177.9-135.9171.85.7121.3
440N26.5Very low27.4Very low146 Ų146140.7 Ų140.778%0.78178%0.779SS**  30.6126.9116.1-72.8-14.8000122.2
441L25.1Very low27.3Very low156 Ų156141.3 Ų141.382%0.81778%0.778SS**  trans89.7157.5133.1-98.6102000120.7
442P30.7Very low27.3Very low100 Ų100143.2 Ų143.265%0.64978%0.781SS**  -133.6-170.5-11235-10.9000114.8
443T23.7Very low27.2Very low121 Ų121141.6 Ų141.674%0.74278%0.782SS**  trans86.2119.8157.2-25.30000118.2
444T27.9Very low27Very low143 Ų143141.7 Ų141.788%0.87778%0.775SS**  trans-130.9114.5143.748.50000109.6
445S24.4Very low26.9Very low90 Ų90143.7 Ų143.763%0.62978%0.779SS**  trans-59.1140.5169.745.90000113.9
446Y25.3Very low26.8Very low233 Ų233143.4 Ų143.491%0.91478%0.775SS**  trans-120.498.1149-105.5-89.6000108.2
447T23.4Very low26.6Very low112 Ų112147.3 Ų147.369%0.68779%0.787SS**  trans-89.7117162.738.70000108
448Q28.8Very low26.7Very low188 Ų188145.1 Ų145.188%0.87978%0.784SS**  trans-116.4107.8156.1-120.9178.2-5.700107.6
449H24.3Very low26.4Very low172 Ų172145.8 Ų145.880%0.79679%0.792SS**  trans-71.3122.4166.3-82-85.3000109
450S28.7Very low26.3Very low115 Ų115148.1 Ų148.180%0.80480%0.801SS**  trans-149.6120.414346.20000108.9H452S450-H452 PolarHBondContact O-N 2.91Å
451D24.7Very low26.3Very low143 Ų143147.7 Ų147.777%0.76580%0.804SS**  trans-52.1124.8179.2-63.7-60.6000112
452H28.5Very low26.5Very low195 Ų195145.8 Ų145.890%0.90380%0.801SS**  trans-165.890.7143.3-84.8-29.4000112.1S450S450-H452 PolarHBondContact O-N 2.91Å
453G26.4Very low26.2Very low76 Ų76146.1 Ų146.178%0.78481%0.806SS**  68.675.3128.300000119.7
454A25Very low26.3Very low80 Ų80147.8 Ų147.866%0.66181%0.81SS**  trans28.9107.913700000120.1
455Y25.4Very low26.1Very low241 Ų241147 Ų14795%0.94581%0.808SS**  -129.281.7127.3-89.7-84000108.1L457Y455-L457 PolarHBondContact O-N 3.22Å
456C26.4Very low26.2Very low107 Ų107149.9 Ų149.972%0.72381%0.814SS**  trans-65.5117.5175.5-71.60000110.9S458C456-S458 PolarHBondContact O-N 3.39Å; C456-S458 VanDerWaalsContact O-N 3.15Å
457L25.2Very low26.1Very low179 Ų179144.4 Ų144.494%0.93781%0.81SS**  trans-48110.6146.8-78.8143.3000108.6Y455Y455-L457 PolarHBondContact O-N 3.22Å
458S29Very low26.3Very low106 Ų106144 Ų14474%0.74181%0.812SS**  trans-117.8103.6171.242.20000110C456 R460C456-S458 PolarHBondContact O-N 3.39Å; C456-S458 VanDerWaalsContact O-N 3.15Å; S458-R460 PolarHBondContact O-N 3.3Å
459N25.3Very low26.3Very low160 Ų160141 Ų14186%0.85680%0.801SS**  trans11.3102.1143.9-64.5-19.3000116.8
460R27.1Very low26.9Very low247 Ų247140.7 Ų140.793%0.93280%0.8SS**  trans-152.9117.5145.1-110.3173-168-169.43.1111.3S458S458-R460 PolarHBondContact O-N 3.3Å
461T27.5Very low27.9Very low137 Ų137137.4 Ų137.484%0.8477%0.771SS**  trans-61.1166.7170.69.50000112.6
462P29Very low29.2Very low117 Ų117139 Ų13976%0.7677%0.774SS**  -116.1134.1-107.536.8-23.2000113.3
463S24.4Very low30.5Very low107 Ų107131.2 Ų131.275%0.74874%0.736SS**  trans-176.890.9159.948.60000108.2
464D26Very low31.8Very low155 Ų155130.4 Ų130.483%0.82972%0.717SS**  trans175.6116.9149.2-86.9-23.7000109.2I466D464-I466 VanDerWaalsContact C-N 3.28Å; D464-I466 PolarHBondContact O-N 3.04Å; D464-I466 VanDerWaalsContact O-N 3.08Å
465P24.2Very low33.4Very low128 Ų128130 Ų13083%0.83170%0.703SS**  trans-89.157.1-174.237.2-34000110.7
466I24.9Very low34.8Very low149 Ų149126 Ų12676%0.76470%0.695SS**  trans-151.881.2175.7-46.2174.9000110.3D464D464-I466 VanDerWaalsContact C-N 3.28Å; D464-I466 PolarHBondContact O-N 3.04Å; D464-I466 VanDerWaalsContact O-N 3.08Å
467S24.3Very low36.4Very low118 Ų118125.5 Ų125.583%0.82568%0.682SS**  trans151.194.5147.6630000113.6
468S27.5Very low38.5Very low103 Ų103117 Ų11772%0.7264%0.638SS**  trans-178.591.9143.157.60000108.7Q470S468-Q470 PolarHBondContact O-N 3.36Å
469I28.9Very low40.7Very low126 Ų126116.1 Ų116.165%0.64662%0.619SS**  trans-73.190.3162.5-60.5170.6000105H471I469-H471 VanDerWaalsContact C-N 3.34Å; I469-H471 PolarHBondContact O-N 2.93Å
470Q37.5Very low43.2Very low166 Ų166111.6 Ų111.678%0.77660%0.595SS**  trans-67.498.6165.5-90.3-179.7-20.900106.7S468 H472S468-Q470 PolarHBondContact O-N 3.36Å; Q470-H472 PolarHBondContact O-N 3.48Å; Q470-H472 VanDerWaalsContact O-N 3.13Å
471H48.8Very low45.9Very low46 Ų46100.5 Ų100.521%0.21355%0.554CS.*  trans-60.9115.9171.3-63.6-70.4000108.1I469 W473 F598I469-H471 VanDerWaalsContact C-N 3.34Å; I469-H471 PolarHBondContact O-N 2.93Å; H471-W473 VanDerWaalsContact C-N 3.27Å; H471-W473 PolarHBondContact O-N 3.4Å; H471-F598 HydrophobicContact CB-CD2 4.1Å; H471-F598 HydrophobicContact CB-CE2 4.5Å; H471-F598 AromaticContact CD2-CD2 3.51Å; H471-F598 AromaticContact CD2-CE2 3.75Å; H471-F598 AromaticContact CG-CD2 3.61Å; H471-F598 AromaticContact ND1-CD2 3.99Å; H471-F598 AromaticContact NE2-CD2 3.85Å
472H51.9Low48.4Very low177 Ų17794 Ų9482%0.81951%0.514SS*.  trans-79.574.7-170.8-139.562.2000110.3Q470Q470-H472 PolarHBondContact O-N 3.48Å; Q470-H472 VanDerWaalsContact O-N 3.13Å
473W56.2Low51.1Low30 Ų3089.8 Ų89.811%0.11449%0.485CS..  trans-86.4123.2168.7-74.786.7000108.8T286 L290 H471 I475 Y479 A482 L590 F598 L599T286-W473 HydrophobicContact CG2-CZ3 4.21Å; L290-W473 HydrophobicContact CD1-CE3 4.38Å; L290-W473 HydrophobicContact CD1-CH2 3.87Å; L290-W473 HydrophobicContact CD1-CZ3 3.56Å; L290-W473 HydrophobicContact CD2-CE3 4.1Å; L290-W473 HydrophobicContact CD2-CH2 4.33Å; L290-W473 HydrophobicContact CD2-CZ3 4Å; L290-W473 HydrophobicContact CG-CZ3 4.21Å; H471-W473 VanDerWaalsContact C-N 3.27Å; H471-W473 PolarHBondContact O-N 3.4Å; W473-I475 PolarHBondContact O-N 2.84Å; W473-I475 VanDerWaalsContact O-N 3.17Å; W473-Y479 HydrophobicContact CB-CD2 4.25Å; W473-Y479 AromaticContact CD1-CD2 3.89Å; W473-Y479 HydrophobicContact CG-CD2 4.17Å; W473-A482 HydrophobicContact CD2-CB 3.92Å; W473-A482 HydrophobicContact CE3-CB 3.92Å; W473-A482 HydrophobicContact CH2-CB 3.53Å; W473-A482 HydrophobicContact CZ2-CB 3.51Å; W473-A482 HydrophobicContact CZ3-CB 3.7Å; W473-L590 HydrophobicContact CZ3-CD2 4.45Å; W473-F598 AromaticContact CE2-CD1 3.89Å; W473-F598 HydrophobicContact CZ2-CB 4.44Å; W473-F598 AromaticContact CZ2-CD1 3.91Å; W473-F598 HydrophobicContact CZ2-CD1 3.91Å; W473-F598 AromaticContact NE1-CD1 3.45Å; W473-F598 AromaticContact NE1-CE1 3.96Å; W473-F598 AromaticContact NE1-CG 3.62Å; W473-L599 HydrophobicContact CH2-CD1 4.5Å
474P52.9Low54Low59 Ų5984.8 Ų84.838%0.38345%0.45SS..SBendtrans-69.6-17.4-163.623.2-31.9000114.4S289S289-P474 WeakPolarHBondContact OG-CB 3.02Å; S289-P474 WeakPolarHBondContact OG-CG 3.34Å
475I59.2Low57Low72 Ų7277.4 Ų77.437%0.36941%0.411SS..SBendtrans-139.6136.7-176.9-53.6175.5000109.2W473 E477 S478 Y479W473-I475 PolarHBondContact O-N 2.84Å; W473-I475 VanDerWaalsContact O-N 3.17Å; I475-E477 HydrophobicContact CG2-CB 4.26Å; I475-E477 PolarHBondContact O-N 3.36Å; I475-S478 PolarHBondContact N-OG 3.48Å; I475-S478 VanDerWaalsContact N-OG 3.15Å; I475-S478 WeakPolarHBondContact O-CA 3.41Å; I475-S478 WeakPolarHBondContact O-CB 3.28Å; I475-S478 PolarHBondContact O-N 2.92Å; I475-S478 PolarHBondContact O-OG 2.67Å; I475-Y479 PolarHBondContact O-N 3Å
476M55.7Low60.1Low156 Ų15671.4 Ų71.477%0.76837%0.372SS*.Hα-helixtrans-54-39.2178.5-75.3-68.6-95.100112.8S478 Y479 N480M476-S478 VanDerWaalsContact C-N 3.35Å; M476-S478 PolarHBondContact O-N 2.83Å; M476-Y479 WeakPolarHBondContact O-CB 3.49Å; M476-Y479 PolarHBondContact O-N 3.44Å; M476-N480 PolarHBondContact O-N 2.98Å
477E58.9Low63.1Low98 Ų9864.4 Ų64.446%0.45834%0.336SS..Hα-helixtrans-68.4-32.6176.2-60.6179.8153.700112.7K282 I475 Y479 N480 L481K282-E477 WeakPolarHBondContact CD-OE2 3.28Å; K282-E477 WeakPolarHBondContact CE-OE2 3.33Å; K282-E477 IonicContact NZ-OE1 3.66Å; K282-E477 PolarHBondContact NZ-OE1 2.97Å; K282-E477 IonicContact NZ-OE2 3.28Å; K282-E477 PolarHBondContact NZ-OE2 3.42Å; I475-E477 HydrophobicContact CG2-CB 4.26Å; I475-E477 PolarHBondContact O-N 3.36Å; E477-Y479 VanDerWaalsContact C-N 3.3Å; E477-N480 PolarHBondContact O-N 2.87Å; E477-L481 PolarHBondContact O-N 3.3Å
478S69Low66.2Low1 Ų158.8 Ų58.81%0.00730%0.296CS..Hα-helixtrans-66.9-34.717372.60000112.1T286 I475 M476 A482T286-S478 VanDerWaalsContact CG2-CB 3.46Å; T286-S478 VanDerWaalsContact OG1-CB 3.26Å; T286-S478 WeakPolarHBondContact OG1-CB 3.46Å; I475-S478 PolarHBondContact N-OG 3.48Å; I475-S478 VanDerWaalsContact N-OG 3.15Å; I475-S478 WeakPolarHBondContact O-CA 3.41Å; I475-S478 WeakPolarHBondContact O-CB 3.28Å; I475-S478 PolarHBondContact O-N 2.92Å; I475-S478 PolarHBondContact O-OG 2.67Å; M476-S478 VanDerWaalsContact C-N 3.35Å; M476-S478 PolarHBondContact O-N 2.83Å; S478-A482 WeakPolarHBondContact O-CB 3.35Å; S478-A482 PolarHBondContact O-N 3.36Å
479Y74.6Confident69.1Low87 Ų8753.9 Ų53.934%0.34126%0.262SS..Hα-helixtrans-67-42.3173.2178.6-97.1000111.2W473 I475 M476 E477 A482 L483 F598W473-Y479 HydrophobicContact CB-CD2 4.25Å; W473-Y479 AromaticContact CD1-CD2 3.89Å; W473-Y479 HydrophobicContact CG-CD2 4.17Å; I475-Y479 PolarHBondContact O-N 3Å; M476-Y479 WeakPolarHBondContact O-CB 3.49Å; M476-Y479 PolarHBondContact O-N 3.44Å; E477-Y479 VanDerWaalsContact C-N 3.3Å; Y479-A482 PolarHBondContact O-N 3.31Å; Y479-L483 HydrophobicContact CE1-CD2 4.1Å; Y479-L483 VanDerWaalsContact O-CB 3.23Å; Y479-L483 WeakPolarHBondContact O-CB 3.37Å; Y479-L483 PolarHBondContact O-N 3.29Å; Y479-F598 HydrophobicContact CD2-CZ 4.41Å; Y479-F598 HydrophobicContact CE2-CE2 4.17Å; Y479-F598 AromaticContact CE2-CZ 3.76Å; Y479-F598 HydrophobicContact CE2-CZ 3.76Å
480N79Confident71.8Confident65 Ų6547.9 Ų47.935%0.34823%0.232SC..Hα-helixtrans-61.7-44.6175.5-71.3-8.6000111.8V152 M476 E477 L483 A484V152-N480 HydrophobicContact CG1-CB 3.96Å; V152-N480 VanDerWaalsContact CG1-O 3.3Å; V152-N480 WeakPolarHBondContact CG1-O 3.38Å; M476-N480 PolarHBondContact O-N 2.98Å; E477-N480 PolarHBondContact O-N 2.87Å; N480-L483 PolarHBondContact O-N 2.83Å; N480-A484 WeakPolarHBondContact O-CB 3.21Å; N480-A484 PolarHBondContact O-N 3.01Å
481L82.8Confident74.2Confident14 Ų1440.4 Ų40.47%0.07320%0.196CC..Hα-helixtrans-59.2-48.5173.7177.464.8000111.5I274 C278 L283 E477 L483 A484 C485 L590I274-L481 HydrophobicContact CG2-CD1 3.48Å; I274-L481 VanDerWaalsContact CG2-CD1 3.48Å; C278-L481 HydrophobicContact CB-CD1 4.41Å; L283-L481 HydrophobicContact CD1-CD2 3.74Å; E477-L481 PolarHBondContact O-N 3.3Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.8Å; L481-A484 PolarHBondContact O-N 3.39Å; L481-C485 PolarHBondContact O-N 2.9Å; L481-C485 PolarHBondContact O-SG 3.41Å; L481-C485 VanDerWaalsContact O-SG 3.39Å; L481-L590 HydrophobicContact CD2-CD1 4.18Å
482A81.6Confident75.8Confident1 Ų138.4 Ų38.41%0.00819%0.187CC..Hα-helixtrans-61.6-42.5179.200000111.8W473 S478 Y479 C485 Q486 F598 L599W473-A482 HydrophobicContact CD2-CB 3.92Å; W473-A482 HydrophobicContact CE3-CB 3.92Å; W473-A482 HydrophobicContact CH2-CB 3.53Å; W473-A482 HydrophobicContact CZ2-CB 3.51Å; W473-A482 HydrophobicContact CZ3-CB 3.7Å; S478-A482 WeakPolarHBondContact O-CB 3.35Å; S478-A482 PolarHBondContact O-N 3.36Å; Y479-A482 PolarHBondContact O-N 3.31Å; A482-C485 PolarHBondContact O-N 2.81Å; A482-Q486 VanDerWaalsContact O-CB 3.26Å; A482-Q486 WeakPolarHBondContact O-CB 3.47Å; A482-Q486 PolarHBondContact O-N 3.4Å; A482-F598 HydrophobicContact CB-CD1 4.07Å; A482-F598 HydrophobicContact CB-CE1 3.83Å; A482-L599 HydrophobicContact CB-CD2 4.14Å; A482-L599 WeakPolarHBondContact O-CD2 3.22Å
483L84Confident77Confident27 Ų2732 Ų3214%0.14116%0.162CC..Hα-helixtrans-65.4-42.4177.4-177.362.4000111.5V152 Y479 N480 L481 Q486 L487 P603V152-L483 HydrophobicContact CG2-CD2 3.65Å; V152-L483 HydrophobicContact CG2-CG 4.24Å; Y479-L483 HydrophobicContact CE1-CD2 4.1Å; Y479-L483 VanDerWaalsContact O-CB 3.23Å; Y479-L483 WeakPolarHBondContact O-CB 3.37Å; Y479-L483 PolarHBondContact O-N 3.29Å; N480-L483 PolarHBondContact O-N 2.83Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 2.8Å; L483-Q486 PolarHBondContact O-N 2.96Å; L483-L487 HydrophobicContact CG-CD1 4.38Å; L483-L487 WeakPolarHBondContact O-CB 3.46Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 3.24Å; L483-P603 HydrophobicContact CD1-CB 4.25Å; L483-P603 HydrophobicContact CD1-CG 4.3Å
484A86.8Confident77.7Confident3 Ų332.6 Ų32.63%0.02517%0.169CC..Hα-helixtrans-61.2-46.9175.200000111.3L149 V152 I274 N480 L481 Q486 L487 V488L149-A484 HydrophobicContact CD1-CB 3.94Å; V152-A484 HydrophobicContact CG1-CB 4.09Å; I274-A484 HydrophobicContact CD1-CB 3.89Å; I274-A484 HydrophobicContact CG1-CB 4.19Å; I274-A484 HydrophobicContact CG2-CB 4.23Å; N480-A484 WeakPolarHBondContact O-CB 3.21Å; N480-A484 PolarHBondContact O-N 3.01Å; L481-A484 PolarHBondContact O-N 3.39Å; A484-Q486 PolarHBondContact O-N 2.96Å; A484-L487 PolarHBondContact O-N 2.97Å; A484-V488 WeakPolarHBondContact O-CG2 3.31Å; A484-V488 PolarHBondContact O-N 2.88Å
485C89Confident78.4Confident0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-61.3-44.1174-68.70000112.1L481 A482 L487 V488 L489 L587 L599L481-C485 PolarHBondContact O-N 2.9Å; L481-C485 PolarHBondContact O-SG 3.41Å; L481-C485 VanDerWaalsContact O-SG 3.39Å; A482-C485 PolarHBondContact O-N 2.81Å; C485-L487 VanDerWaalsContact C-N 3.32Å; C485-L487 PolarHBondContact O-N 2.98Å; C485-V488 PolarHBondContact O-N 3.41Å; C485-L489 WeakPolarHBondContact O-CB 3.35Å; C485-L489 WeakPolarHBondContact O-CG 3.45Å; C485-L489 PolarHBondContact O-N 3.4Å; C485-L587 HydrophobicContact CB-CD1 4.1Å; C485-L599 HydrophobicContact CB-CD2 3.83Å
486Q88.3Confident79.1Confident2 Ų228.4 Ų28.41%0.00915%0.145CC..Hα-helixtrans-58.4-43.8177.9-174.1-174.828.500111.4A482 L483 A484 L490 F598 T601 P603A482-Q486 VanDerWaalsContact O-CB 3.26Å; A482-Q486 WeakPolarHBondContact O-CB 3.47Å; A482-Q486 PolarHBondContact O-N 3.4Å; L483-Q486 PolarHBondContact O-N 2.96Å; A484-Q486 PolarHBondContact O-N 2.96Å; Q486-L490 PolarHBondContact O-N 2.87Å; Q486-F598 PolarHBondContact NE2-O 3.03Å; Q486-T601 WeakPolarHBondContact CG-O 3.17Å; Q486-T601 PolarHBondContact NE2-O 2.85Å; Q486-P603 HydrophobicContact CG-CG 4.14Å
487L88.5Confident80.1Confident1 Ų121.1 Ų21.11%0.00511%0.109CC..Hα-helixtrans-64.3-45.8177-72.3172.6000112I145 R148 L149 L483 A484 C485 L490 P603 L606I145-L487 HydrophobicContact CG1-CD2 4.46Å; I145-L487 HydrophobicContact CG2-CB 4.11Å; I145-L487 HydrophobicContact CG2-CD2 4.23Å; R148-L487 HydrophobicContact CB-CD1 3.78Å; L149-L487 HydrophobicContact CB-CD1 4.46Å; L483-L487 HydrophobicContact CG-CD1 4.38Å; L483-L487 WeakPolarHBondContact O-CB 3.46Å; L483-L487 VanDerWaalsContact O-CG 3.27Å; L483-L487 WeakPolarHBondContact O-CG 3.24Å; L483-L487 PolarHBondContact O-N 3.24Å; A484-L487 PolarHBondContact O-N 2.97Å; C485-L487 VanDerWaalsContact C-N 3.32Å; C485-L487 PolarHBondContact O-N 2.98Å; L487-L490 WeakPolarHBondContact O-CB 3.47Å; L487-L490 PolarHBondContact O-N 3.46Å; L487-P603 HydrophobicContact CD2-CG 4.09Å; L487-L606 HydrophobicContact CD2-CD1 3.79Å
488V89Confident80.7Confident0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-69.6-34.4179.9177.30000112.2L149 A267 L270 L271 I274 A484 C485 L490 F491L149-V488 HydrophobicContact CD1-CG2 4.21Å; L149-V488 HydrophobicContact CD2-CG2 3.94Å; A267-V488 HydrophobicContact CB-CG1 4.22Å; L270-V488 HydrophobicContact CB-CG1 3.97Å; L270-V488 HydrophobicContact CB-CG2 3.94Å; L270-V488 HydrophobicContact CD1-CG1 4.4Å; L270-V488 HydrophobicContact CD1-CG2 4.2Å; L271-V488 HydrophobicContact CD1-CG1 4.39Å; L271-V488 HydrophobicContact CD2-CB 4.31Å; L271-V488 HydrophobicContact CD2-CG1 4.04Å; L271-V488 HydrophobicContact CG-CG1 3.8Å; I274-V488 HydrophobicContact CD1-CB 4.42Å; I274-V488 HydrophobicContact CD1-CG2 3.55Å; A484-V488 WeakPolarHBondContact O-CG2 3.31Å; A484-V488 PolarHBondContact O-N 2.88Å; C485-V488 PolarHBondContact O-N 3.41Å; V488-L490 PolarHBondContact O-N 2.8Å; V488-F491 WeakPolarHBondContact O-CB 3.4Å; V488-F491 PolarHBondContact O-N 2.91Å
489L88.9Confident81Confident1 Ų117.5 Ų17.51%0.0059%0.094CC..Hα-helixtrans-60.9-26.8175.8-75.3173.5000112.4C485 F491 L492 Y497 L500 L587 L591 L599 L600C485-L489 WeakPolarHBondContact O-CB 3.35Å; C485-L489 WeakPolarHBondContact O-CG 3.45Å; C485-L489 PolarHBondContact O-N 3.4Å; L489-F491 PolarHBondContact O-N 3.28Å; L489-L492 HydrophobicContact CD2-CD1 3.59Å; L489-L492 HydrophobicContact CD2-CG 4.41Å; L489-L492 WeakPolarHBondContact O-CB 3.2Å; L489-L492 WeakPolarHBondContact O-CG 3.15Å; L489-L492 PolarHBondContact O-N 2.84Å; L489-Y497 HydrophobicContact CB-CE2 4.15Å; L489-Y497 VanDerWaalsContact O-CD2 3.26Å; L489-Y497 WeakPolarHBondContact O-CD2 2.97Å; L489-L500 HydrophobicContact CD2-CD2 4.01Å; L489-L587 HydrophobicContact CD2-CD2 4.32Å; L489-L591 HydrophobicContact CD1-CD2 4.15Å; L489-L599 HydrophobicContact CD1-CB 4.39Å; L489-L599 WeakPolarHBondContact CD1-O 3.37Å; L489-L600 HydrophobicContact CD1-CD2 4.36Å
490L85.8Confident81.3Confident0 Ų013.7 Ų13.70%08%0.079CC..THydrogen-bonded Turntrans-65.3-23.8174.3-65.6171.7000112.7I145 A190 A191 N194 L198 Q486 L487 V488 L492 L602I145-L490 HydrophobicContact CD1-CB 4.36Å; I145-L490 HydrophobicContact CD1-CD1 4.18Å; A190-L490 CarbonylContact C-O 3.55Å; A191-L490 WeakPolarHBondContact CA-O 3.41Å; A191-L490 HydrophobicContact CB-CB 4.32Å; A191-L490 PolarHBondContact N-O 3.13Å; N194-L490 HydrophobicContact CB-CD2 4.12Å; N194-L490 PolarHBondContact ND2-O 2.84Å; L198-L490 HydrophobicContact CD1-CD2 4.29Å; Q486-L490 PolarHBondContact O-N 2.87Å; L487-L490 WeakPolarHBondContact O-CB 3.47Å; L487-L490 PolarHBondContact O-N 3.46Å; V488-L490 PolarHBondContact O-N 2.8Å; L490-L492 PolarHBondContact O-N 3.07Å; L490-L602 HydrophobicContact CD1-CD1 4.16Å; L490-L602 HydrophobicContact CD2-CD1 4.41Å
491F86.3Confident81.3Confident8 Ų813 Ų134%0.0357%0.073CC..THydrogen-bonded Turntrans-78.1-4.3175.8-63.2-37.5000114F142 I145 I146 M164 I187 A191 L270 V488 L489F142-F491 HydrophobicContact CD2-CE1 4.2Å; F142-F491 HydrophobicContact CD2-CZ 4.23Å; F142-F491 HydrophobicContact CE2-CZ 4.5Å; I145-F491 HydrophobicContact CB-CE1 4.16Å; I145-F491 HydrophobicContact CB-CZ 3.87Å; I145-F491 HydrophobicContact CD1-CE1 3.91Å; I145-F491 HydrophobicContact CD1-CZ 4.45Å; I145-F491 HydrophobicContact CG2-CE1 3.85Å; I145-F491 HydrophobicContact CG2-CE2 3.8Å; I145-F491 HydrophobicContact CG2-CZ 3.29Å; I146-F491 HydrophobicContact CD1-CE2 3.88Å; I146-F491 HydrophobicContact CD1-CZ 3.9Å; I146-F491 HydrophobicContact CG1-CZ 4.19Å; M164-F491 HydrophobicContact CE-CE2 4.25Å; I187-F491 HydrophobicContact CG2-CB 3.93Å; I187-F491 HydrophobicContact CG2-CD1 3.12Å; I187-F491 HydrophobicContact CG2-CD2 4.23Å; I187-F491 HydrophobicContact CG2-CE1 3.5Å; I187-F491 HydrophobicContact CG2-CG 3.53Å; I187-F491 HydrophobicContact CG2-CZ 4.19Å; A191-F491 HydrophobicContact CB-CD1 3.98Å; A191-F491 HydrophobicContact CB-CE1 4.16Å; L270-F491 HydrophobicContact CD1-CD2 4.05Å; L270-F491 HydrophobicContact CD1-CE2 4.07Å; V488-F491 WeakPolarHBondContact O-CB 3.4Å; V488-F491 PolarHBondContact O-N 2.91Å; L489-F491 PolarHBondContact O-N 3.28Å
492L83.2Confident80.9Confident4 Ų413.6 Ų13.62%0.0218%0.076CC..SBendtrans-67.7146.3175.8-67-179.3000111.3N194 I263 A267 L489 L490 Y497 L500N194-L492 PolarHBondContact ND2-O 2.72Å; I263-L492 HydrophobicContact CB-CD2 4.42Å; I263-L492 HydrophobicContact CG1-CD2 4.1Å; I263-L492 HydrophobicContact CG2-CD2 3.9Å; A267-L492 HydrophobicContact CB-CD2 4.36Å; L489-L492 HydrophobicContact CD2-CD1 3.59Å; L489-L492 HydrophobicContact CD2-CG 4.41Å; L489-L492 WeakPolarHBondContact O-CB 3.2Å; L489-L492 WeakPolarHBondContact O-CG 3.15Å; L489-L492 PolarHBondContact O-N 2.84Å; L490-L492 PolarHBondContact O-N 3.07Å; L492-Y497 HydrophobicContact CD1-CD2 4.48Å; L492-L500 HydrophobicContact CD1-CD2 4.2Å
493P76.8Confident80.8Confident44 Ų4413.5 Ų13.529%0.2868%0.076SC..  trans-54.6139.5170.6-26.134.9000110.8P264 V495 M496 Y497P264-P493 HydrophobicContact CG-CG 3.97Å; P493-V495 PolarHBondContact O-N 3.39Å; P493-V495 VanDerWaalsContact O-N 3.08Å; P493-M496 HydrophobicContact CB-CB 4.41Å; P493-M496 WeakPolarHBondContact O-CA 3.23Å; P493-M496 WeakPolarHBondContact O-CB 3.39Å; P493-M496 PolarHBondContact O-N 2.8Å; P493-Y497 PolarHBondContact O-N 3.11Å
494P70.7Confident80.9Confident41 Ų4112.2 Ų12.227%0.2667%0.069SC..Hα-helixtrans-54.6-35.3-174-3035.7000114.8T193 N194 S498T193-P494 HydrophobicContact CG2-CB 4.05Å; T193-P494 HydrophobicContact CG2-CG 3.6Å; N194-P494 VanDerWaalsContact OD1-CA 3.32Å; N194-P494 WeakPolarHBondContact OD1-CA 3.43Å; P494-S498 WeakPolarHBondContact O-CB 3.47Å; P494-S498 PolarHBondContact O-N 2.89Å; P494-S498 PolarHBondContact O-OG 2.86Å
495V67.5Low80.5Confident36 Ų3613.3 Ų13.322%0.2188%0.08CC..Hα-helixtrans-62.8-43174.6175.90000111.5L212 Y261 P493 S498 R499L212-V495 HydrophobicContact CD2-CG1 3.98Å; Y261-V495 HydrophobicContact CE2-CG1 4.18Å; P493-V495 PolarHBondContact O-N 3.39Å; P493-V495 VanDerWaalsContact O-N 3.08Å; V495-S498 PolarHBondContact O-N 3.49Å; V495-R499 WeakPolarHBondContact O-CB 3.49Å; V495-R499 PolarHBondContact O-N 3.46Å
496M75Confident80Confident8 Ų813.9 Ų13.94%0.0398%0.084CC..Hα-helixtrans-71.2-45.2179.3-82-63.3-77.800112.2Y261 P493 S498 R499 L500Y261-M496 WeakPolarHBondContact CB-SD 3.46Å; Y261-M496 HydrophobicContact CG-CG 4.29Å; Y261-M496 HydrophobicContact CG-SD 4.19Å; P493-M496 HydrophobicContact CB-CB 4.41Å; P493-M496 WeakPolarHBondContact O-CA 3.23Å; P493-M496 WeakPolarHBondContact O-CB 3.39Å; P493-M496 PolarHBondContact O-N 2.8Å; M496-S498 PolarHBondContact O-N 2.91Å; M496-R499 PolarHBondContact O-N 3.46Å; M496-L500 WeakPolarHBondContact O-CB 2.92Å; M496-L500 PolarHBondContact O-N 2.93Å
497Y76.7Confident79.7Confident2 Ų213.8 Ų13.81%0.0088%0.083CC..Hα-helixtrans-56.9-43.7173.4-169.6-92.7000110.7L198 W201 L489 L492 P493 L500 K501 L600L198-Y497 HydrophobicContact CD1-CE1 4.49Å; L198-Y497 HydrophobicContact CD2-CE1 3.98Å; L198-Y497 HydrophobicContact CG-CE1 4.25Å; W201-Y497 HydrophobicContact CH2-CD1 4.38Å; W201-Y497 HydrophobicContact CZ3-CD1 4.34Å; W201-Y497 HydrophobicContact CZ3-CE1 4.18Å; L489-Y497 HydrophobicContact CB-CE2 4.15Å; L489-Y497 VanDerWaalsContact O-CD2 3.26Å; L489-Y497 WeakPolarHBondContact O-CD2 2.97Å; L492-Y497 HydrophobicContact CD1-CD2 4.48Å; P493-Y497 PolarHBondContact O-N 3.11Å; Y497-L500 PolarHBondContact O-N 2.92Å; Y497-K501 PolarHBondContact O-N 3.42Å; Y497-K501 VanDerWaalsContact O-N 3.12Å; Y497-L600 HydrophobicContact CE2-CD2 4.18Å; Y497-L600 WeakPolarHBondContact OH-CA 3.48Å; Y497-L600 PolarHBondContact OH-O 3.23Å
498S71.1Confident79.5Confident18 Ų1815.1 Ų15.113%0.1269%0.088CC..Hα-helixtrans-60.5-50.9178-67.40000113.2W201 P494 V495 M496 L500 K501 I502W201-S498 VanDerWaalsContact CZ2-CA 3.41Å; P494-S498 WeakPolarHBondContact O-CB 3.47Å; P494-S498 PolarHBondContact O-N 2.89Å; P494-S498 PolarHBondContact O-OG 2.86Å; V495-S498 PolarHBondContact O-N 3.49Å; M496-S498 PolarHBondContact O-N 2.91Å; S498-L500 PolarHBondContact O-N 3.44Å; S498-K501 PolarHBondContact O-N 2.7Å; S498-I502 WeakPolarHBondContact O-CG1 3.33Å; S498-I502 PolarHBondContact O-N 3.44Å; S498-I502 VanDerWaalsContact O-N 3.13Å
499R74.6Confident78.8Confident6 Ų622.1 Ų22.12%0.02311%0.114CC..Hα-helixtrans-58.8-46176.3167168.5-178.5-162.9-1.4111.9V213 V495 M496 K501 I502 M503V213-R499 HydrophobicContact CG2-CB 4.2Å; V213-R499 HydrophobicContact CG2-CG 3.88Å; V495-R499 WeakPolarHBondContact O-CB 3.49Å; V495-R499 PolarHBondContact O-N 3.46Å; M496-R499 PolarHBondContact O-N 3.46Å; R499-K501 PolarHBondContact O-N 2.83Å; R499-I502 PolarHBondContact O-N 3.2Å; R499-M503 HydrophobicContact CG-CG 4.36Å; R499-M503 WeakPolarHBondContact O-CB 3.4Å; R499-M503 VanDerWaalsContact O-CG 3.24Å; R499-M503 WeakPolarHBondContact O-CG 3.25Å; R499-M503 PolarHBondContact O-N 3.02Å
500L81.2Confident78.2Confident6 Ų622 Ų223%0.03111%0.114CC..Hα-helixtrans-59.1-48.4-178.2-176.562.5000110.6L489 L492 M496 Y497 S498 M503 V504 L561 L562 L591 L600L489-L500 HydrophobicContact CD2-CD2 4.01Å; L492-L500 HydrophobicContact CD1-CD2 4.2Å; M496-L500 WeakPolarHBondContact O-CB 2.92Å; M496-L500 PolarHBondContact O-N 2.93Å; Y497-L500 PolarHBondContact O-N 2.92Å; S498-L500 PolarHBondContact O-N 3.44Å; L500-M503 PolarHBondContact O-N 2.99Å; L500-V504 HydrophobicContact CD1-CG2 4.06Å; L500-V504 HydrophobicContact CG-CG2 4.29Å; L500-V504 WeakPolarHBondContact O-CB 3.21Å; L500-V504 WeakPolarHBondContact O-CG2 3.44Å; L500-V504 PolarHBondContact O-N 3.33Å; L500-L561 HydrophobicContact CD1-CB 4.35Å; L500-L562 HydrophobicContact CD1-CD2 4.08Å; L500-L562 HydrophobicContact CD2-CD2 4.26Å; L500-L591 HydrophobicContact CD1-CD1 4.14Å; L500-L591 HydrophobicContact CD2-CD1 3.91Å; L500-L591 HydrophobicContact CG-CD1 4.22Å; L500-L600 HydrophobicContact CD2-CD2 4.33Å
501K80.2Confident77.8Confident50 Ų5022 Ų2222%0.21711%0.114CC..Hα-helixtrans-64.3-41.8179.3170.8143.5150.4-168.60113.7W201 Y497 S498 R499 M503 G505 L600W201-K501 HydrophobicContact CE3-CD 3.91Å; W201-K501 HydrophobicContact CE3-CG 4.49Å; W201-K501 VanDerWaalsContact CE3-NZ 3.27Å; W201-K501 HydrophobicContact CH2-CB 3.46Å; W201-K501 VanDerWaalsContact CH2-CB 3.46Å; W201-K501 HydrophobicContact CH2-CD 3.64Å; W201-K501 HydrophobicContact CH2-CG 3.56Å; W201-K501 HydrophobicContact CZ2-CB 4.38Å; W201-K501 HydrophobicContact CZ2-CG 4.41Å; W201-K501 HydrophobicContact CZ3-CB 3.95Å; W201-K501 HydrophobicContact CZ3-CD 3.18Å; W201-K501 HydrophobicContact CZ3-CG 3.67Å; W201-K501 VanDerWaalsContact CZ3-NZ 3.34Å; Y497-K501 PolarHBondContact O-N 3.42Å; Y497-K501 VanDerWaalsContact O-N 3.12Å; S498-K501 PolarHBondContact O-N 2.7Å; R499-K501 PolarHBondContact O-N 2.83Å; K501-M503 VanDerWaalsContact C-N 3.34Å; K501-M503 PolarHBondContact O-N 3.29Å; K501-G505 PolarHBondContact O-N 3.35Å; K501-L600 HydrophobicContact CB-CD1 3.94Å; K501-L600 HydrophobicContact CD-CB 3.95Å; K501-L600 HydrophobicContact CD-CD1 4.35Å; K501-L600 HydrophobicContact CG-CD1 4.28Å; K501-L600 PolarHBondContact NZ-O 3.04Å
502I74.3Confident77.2Confident27 Ų2723.3 Ų23.314%0.13812%0.124CC..Hα-helixtrans-60.2-47.3175.3-67.3167.5000110.3L212 I218 S498 R499 G505 L506L212-I502 HydrophobicContact CD1-CD1 4.33Å; I218-I502 HydrophobicContact CD1-CG2 4.38Å; S498-I502 WeakPolarHBondContact O-CG1 3.33Å; S498-I502 PolarHBondContact O-N 3.44Å; S498-I502 VanDerWaalsContact O-N 3.13Å; R499-I502 PolarHBondContact O-N 3.2Å; I502-G505 PolarHBondContact O-N 3.38Å; I502-L506 HydrophobicContact CG2-CD1 4.22Å; I502-L506 WeakPolarHBondContact O-CG 3.42Å; I502-L506 PolarHBondContact O-N 3.37Å
503M80Confident76.5Confident0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-67.7-44.3-177.6-69.8-60.7-6100112.4V213 L221 L255 R499 L500 K501 G505 L506 L507 F557 L561V213-M503 HydrophobicContact CG1-CG 4.47Å; V213-M503 HydrophobicContact CG1-SD 3.65Å; V213-M503 HydrophobicContact CG2-CG 4.47Å; L221-M503 HydrophobicContact CD1-CE 3.28Å; L221-M503 HydrophobicContact CD1-SD 4.09Å; L255-M503 HydrophobicContact CD1-CE 3.56Å; L255-M503 HydrophobicContact CD2-CE 4.03Å; L255-M503 HydrophobicContact CD2-SD 4.43Å; L255-M503 HydrophobicContact CG-CE 4.38Å; R499-M503 HydrophobicContact CG-CG 4.36Å; R499-M503 WeakPolarHBondContact O-CB 3.4Å; R499-M503 VanDerWaalsContact O-CG 3.24Å; R499-M503 WeakPolarHBondContact O-CG 3.25Å; R499-M503 PolarHBondContact O-N 3.02Å; L500-M503 PolarHBondContact O-N 2.99Å; K501-M503 VanDerWaalsContact C-N 3.34Å; K501-M503 PolarHBondContact O-N 3.29Å; M503-G505 VanDerWaalsContact C-N 3.33Å; M503-G505 PolarHBondContact O-N 3.17Å; M503-L506 PolarHBondContact O-N 2.78Å; M503-L507 WeakPolarHBondContact O-CB 3.5Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.45Å; M503-L507 PolarHBondContact O-N 3.39Å; M503-F557 HydrophobicContact CE-CD1 4.46Å; M503-F557 HydrophobicContact CE-CE1 4.23Å; M503-L561 HydrophobicContact CB-CD1 4.13Å; M503-L561 HydrophobicContact CB-CD2 3.87Å; M503-L561 HydrophobicContact CE-CD2 4.15Å; M503-L561 HydrophobicContact CG-CD2 3.8Å
504V84.2Confident76.1Confident0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-59.5-45.2174.5168.80000110.1L500 L506 L507 R508 L588 L591 L592 L600L500-V504 HydrophobicContact CD1-CG2 4.06Å; L500-V504 HydrophobicContact CG-CG2 4.29Å; L500-V504 WeakPolarHBondContact O-CB 3.21Å; L500-V504 WeakPolarHBondContact O-CG2 3.44Å; L500-V504 PolarHBondContact O-N 3.33Å; V504-L506 PolarHBondContact O-N 3.09Å; V504-L507 PolarHBondContact O-N 3.41Å; V504-R508 HydrophobicContact CG1-CG 4.29Å; V504-R508 WeakPolarHBondContact O-CB 3.44Å; V504-R508 WeakPolarHBondContact O-CG 3.23Å; V504-R508 PolarHBondContact O-N 2.93Å; V504-L588 HydrophobicContact CG2-CD1 4.24Å; V504-L591 HydrophobicContact CG1-CB 4.26Å; V504-L591 VanDerWaalsContact CG1-O 3.28Å; V504-L591 WeakPolarHBondContact CG1-O 3.38Å; V504-L591 HydrophobicContact CG2-CB 4.05Å; V504-L591 HydrophobicContact CG2-CD1 4.32Å; V504-L592 HydrophobicContact CG1-CD2 4.43Å; V504-L600 HydrophobicContact CB-CD1 4.23Å; V504-L600 HydrophobicContact CG1-CD1 4.14Å
505G79.9Confident76Confident25 Ų2520.9 Ų20.926%0.25811%0.106SC..Hα-helixtrans-60.1-40.9177.200000113.6K501 I502 M503 R509K501-G505 PolarHBondContact O-N 3.35Å; I502-G505 PolarHBondContact O-N 3.38Å; M503-G505 VanDerWaalsContact C-N 3.33Å; M503-G505 PolarHBondContact O-N 3.17Å; G505-R509 WeakPolarHBondContact O-CG 3.01Å; G505-R509 PolarHBondContact O-N 2.9Å
506L77.4Confident75.8Confident13 Ų1323.2 Ų23.27%0.06811%0.111CC..Hα-helixtrans-68.4-45.7175.2-72171.3000112I218 L221 D222 I502 M503 V504 R508 R509 V510I218-L506 HydrophobicContact CB-CD1 4.39Å; I218-L506 HydrophobicContact CG1-CD1 4.14Å; I218-L506 HydrophobicContact CG2-CD1 4.14Å; L221-L506 HydrophobicContact CB-CB 4.09Å; L221-L506 HydrophobicContact CB-CD1 4.17Å; L221-L506 HydrophobicContact CD1-CB 4.28Å; L221-L506 HydrophobicContact CD1-CD1 4.43Å; D222-L506 HydrophobicContact CB-CD2 4.42Å; I502-L506 HydrophobicContact CG2-CD1 4.22Å; I502-L506 WeakPolarHBondContact O-CG 3.42Å; I502-L506 PolarHBondContact O-N 3.37Å; M503-L506 PolarHBondContact O-N 2.78Å; V504-L506 PolarHBondContact O-N 3.09Å; L506-R508 PolarHBondContact O-N 3.2Å; L506-R509 PolarHBondContact O-N 3.43Å; L506-V510 WeakPolarHBondContact O-CG2 3.41Å; L506-V510 PolarHBondContact O-N 2.84Å
507L83.6Confident75.2Confident0 Ų023.5 Ų23.50%011%0.112CC..Hα-helixtrans-64-39.9-180-72.3172.3000112.4L221 M503 V504 R509 V510 L511 I553 F557 L561 L592L221-L507 HydrophobicContact CD1-CD2 4.34Å; L221-L507 HydrophobicContact CD2-CD2 3.82Å; M503-L507 WeakPolarHBondContact O-CB 3.5Å; M503-L507 VanDerWaalsContact O-CG 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.45Å; M503-L507 PolarHBondContact O-N 3.39Å; V504-L507 PolarHBondContact O-N 3.41Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.2Å; L507-V510 WeakPolarHBondContact O-CB 3.27Å; L507-V510 PolarHBondContact O-N 3.23Å; L507-L511 WeakPolarHBondContact O-CG 3.38Å; L507-L511 PolarHBondContact O-N 3.34Å; L507-I553 HydrophobicContact CD1-CG2 4.06Å; L507-I553 HydrophobicContact CD2-CD1 4.42Å; L507-I553 HydrophobicContact CD2-CG2 3.9Å; L507-I553 HydrophobicContact CG-CG2 4.42Å; L507-F557 HydrophobicContact CD1-CB 4.3Å; L507-F557 HydrophobicContact CD1-CD1 4Å; L507-F557 HydrophobicContact CD1-CG 4.12Å; L507-F557 HydrophobicContact CD2-CD1 4.29Å; L507-F557 HydrophobicContact CD2-CD2 4.44Å; L507-F557 HydrophobicContact CD2-CE1 4.08Å; L507-F557 HydrophobicContact CD2-CE2 4.24Å; L507-F557 HydrophobicContact CD2-CG 4.46Å; L507-F557 HydrophobicContact CD2-CZ 4.06Å; L507-L561 HydrophobicContact CD1-CD1 4.04Å; L507-L592 HydrophobicContact CB-CD2 3.56Å; L507-L592 HydrophobicContact CD1-CD2 4.38Å
508R83Confident74.4Confident28 Ų2824 Ų2411%0.10612%0.116CC..Hα-helixtrans-59.8-39.9173.6-73.7-168.4-163156.22.6112.2V504 L506 L511 S512 L591 L592 D594 N597V504-R508 HydrophobicContact CG1-CG 4.29Å; V504-R508 WeakPolarHBondContact O-CB 3.44Å; V504-R508 WeakPolarHBondContact O-CG 3.23Å; V504-R508 PolarHBondContact O-N 2.93Å; L506-R508 PolarHBondContact O-N 3.2Å; R508-L511 PolarHBondContact O-N 2.64Å; R508-S512 WeakPolarHBondContact O-CB 3.41Å; R508-S512 PolarHBondContact O-N 3.41Å; R508-L591 PolarHBondContact NE-O 2.97Å; R508-L591 PolarHBondContact NH2-O 3.39Å; R508-L592 WeakPolarHBondContact CD-O 3.31Å; R508-L592 HydrophobicContact CG-CD2 3.96Å; R508-L592 WeakPolarHBondContact CG-O 3.27Å; R508-L592 PolarHBondContact NE-O 3.06Å; R508-D594 PolarHBondContact NH1-O 3.39Å; R508-D594 PolarHBondContact NH2-O 3Å; R508-D594 IonicContact NH2-OD2 2.77Å; R508-N597 VanDerWaalsContact NH1-CG 3.26Å; R508-N597 PolarHBondContact NH1-OD1 3.29Å
509R75.3Confident73.9Confident147 Ų14725.8 Ų25.856%0.55512%0.124SC*.Hα-helixtrans-66.9-40.7175.5-68.5174.7-175.5173.13112.4G505 L506 L507 L511 S512 N513G505-R509 WeakPolarHBondContact O-CG 3.01Å; G505-R509 PolarHBondContact O-N 2.9Å; L506-R509 PolarHBondContact O-N 3.43Å; L507-R509 VanDerWaalsContact C-N 3.31Å; L507-R509 PolarHBondContact O-N 3.2Å; R509-L511 VanDerWaalsContact C-N 3.33Å; R509-S512 PolarHBondContact O-N 2.97Å; R509-N513 PolarHBondContact O-N 3.25Å
510V75.1Confident73Confident0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-57.8-48.4174.1172.30000110.1L221 L224 L506 L507 N513 H514L221-V510 HydrophobicContact CD2-CG2 4.32Å; L224-V510 HydrophobicContact CB-CG1 4.24Å; L224-V510 HydrophobicContact CB-CG2 3.64Å; L506-V510 WeakPolarHBondContact O-CG2 3.41Å; L506-V510 PolarHBondContact O-N 2.84Å; L507-V510 WeakPolarHBondContact O-CB 3.27Å; L507-V510 PolarHBondContact O-N 3.23Å; V510-N513 PolarHBondContact O-N 3.48Å; V510-H514 PolarHBondContact O-CD2 3.36Å; V510-H514 VanDerWaalsContact O-CD2 3.23Å; V510-H514 PolarHBondContact O-N 3.27Å
511L78.1Confident71.7Confident0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-62.8-47.6178.5-75.6159.4000112.9W294 L507 R508 R509 N513 H514 E515 L546 T549 L550 I553 L592W294-L511 HydrophobicContact CH2-CB 3.27Å; W294-L511 HydrophobicContact CH2-CD1 3.73Å; W294-L511 HydrophobicContact CH2-CD2 4.47Å; W294-L511 HydrophobicContact CH2-CG 3.99Å; W294-L511 HydrophobicContact CZ2-CB 3.88Å; W294-L511 HydrophobicContact CZ3-CB 4.25Å; W294-L511 HydrophobicContact CZ3-CD1 4.28Å; L507-L511 WeakPolarHBondContact O-CG 3.38Å; L507-L511 PolarHBondContact O-N 3.34Å; R508-L511 PolarHBondContact O-N 2.64Å; R509-L511 VanDerWaalsContact C-N 3.33Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 2.86Å; L511-H514 PolarHBondContact O-N 3.43Å; L511-H514 VanDerWaalsContact O-N 3.16Å; L511-E515 PolarHBondContact O-N 2.97Å; L511-L546 HydrophobicContact CB-CD1 4.19Å; L511-L546 HydrophobicContact CD2-CD1 3.97Å; L511-T549 HydrophobicContact CD2-CG2 3.49Å; L511-T549 VanDerWaalsContact CD2-CG2 3.49Å; L511-L550 HydrophobicContact CD1-CD1 3.91Å; L511-L550 HydrophobicContact CD2-CB 4.19Å; L511-I553 HydrophobicContact CD1-CD1 4.25Å; L511-I553 HydrophobicContact CD2-CD1 3.84Å; L511-I553 HydrophobicContact CG-CD1 3.8Å; L511-L592 HydrophobicContact CD1-CB 4.27Å; L511-L592 HydrophobicContact CD1-CD1 4.12Å; L511-L592 HydrophobicContact CD1-CD2 4.16Å; L511-L592 HydrophobicContact CD1-CG 4.41Å
512S74.1Confident70.6Confident34 Ų3432.2 Ų32.224%0.23816%0.161CC..Hα-helixtrans-59.8-40.3179.51790000112.4R508 R509 R516R508-S512 WeakPolarHBondContact O-CB 3.41Å; R508-S512 PolarHBondContact O-N 3.41Å; R509-S512 PolarHBondContact O-N 2.97Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 2.78Å; S512-R516 VanDerWaalsContact O-N 3.11Å
513N67.8Low69.5Low21 Ų2135.1 Ų35.111%0.11218%0.177CC..Hα-helixtrans-71-36.7176.3-74.6-5.1000113.1S225 W227 R509 V510 L511 E515 R516 L517S225-N513 PolarHBondContact O-ND2 2.88Å; W227-N513 WeakPolarHBondContact O-CB 3.44Å; W227-N513 PolarHBondContact O-ND2 2.93Å; W227-N513 VanDerWaalsContact O-ND2 3.1Å; R509-N513 PolarHBondContact O-N 3.25Å; V510-N513 PolarHBondContact O-N 3.48Å; L511-N513 VanDerWaalsContact C-N 3.32Å; L511-N513 PolarHBondContact O-N 2.86Å; N513-E515 VanDerWaalsContact C-N 3.31Å; N513-R516 PolarHBondContact O-N 3.13Å; N513-L517 PolarHBondContact O-N 3.35Å
514H68.7Low67.8Low9 Ų939 Ų394%0.04220%0.195CC..Hα-helixtrans-62.2-41.3175.9-92.9-67.5000111.6W227 V510 L511 L517 A518W227-H514 AromaticContact CZ3-CE1 3.84Å; V510-H514 PolarHBondContact O-CD2 3.36Å; V510-H514 VanDerWaalsContact O-CD2 3.23Å; V510-H514 PolarHBondContact O-N 3.27Å; L511-H514 PolarHBondContact O-N 3.43Å; L511-H514 VanDerWaalsContact O-N 3.16Å; H514-L517 PolarHBondContact O-N 3.21Å; H514-A518 WeakPolarHBondContact O-CB 3.45Å; H514-A518 PolarHBondContact O-N 3.41Å
515E67.4Low65.9Low8 Ų844.5 Ų44.54%0.03722%0.224CC..Hα-helixtrans-63.3-46.9174.6-170.7179-179.600112.1I295 V298 L511 N513 L517 A518 L519 L546I295-E515 VanDerWaalsContact CA-OE1 3.3Å; I295-E515 WeakPolarHBondContact CA-OE1 3.24Å; V298-E515 VanDerWaalsContact CB-OE2 3.26Å; V298-E515 WeakPolarHBondContact CB-OE2 3.26Å; V298-E515 HydrophobicContact CG1-CB 4.12Å; V298-E515 HydrophobicContact CG1-CG 3.98Å; V298-E515 WeakPolarHBondContact CG1-OE2 3.32Å; V298-E515 WeakPolarHBondContact CG2-OE2 3.47Å; L511-E515 PolarHBondContact O-N 2.97Å; N513-E515 VanDerWaalsContact C-N 3.31Å; E515-L517 VanDerWaalsContact C-N 3.25Å; E515-L517 PolarHBondContact O-N 3.42Å; E515-A518 PolarHBondContact O-N 3.08Å; E515-A518 VanDerWaalsContact O-N 3.11Å; E515-L519 HydrophobicContact CG-CD1 4.22Å; E515-L519 WeakPolarHBondContact O-CG 3.47Å; E515-L519 PolarHBondContact O-N 3.39Å; E515-L546 HydrophobicContact CB-CD1 4.22Å; E515-L546 WeakPolarHBondContact OE2-CD2 3.35Å
516R64.5Low64.1Low86 Ų8646.4 Ų46.433%0.32523%0.234SC..Hα-helixtrans-57.1-39.6176.5-72.3176.870.4173.98.3112.3V298 S512 N513 W520V298-R516 HydrophobicContact CG1-CG 3.84Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.48Å; S512-R516 PolarHBondContact O-N 2.78Å; S512-R516 VanDerWaalsContact O-N 3.11Å; N513-R516 PolarHBondContact O-N 3.13Å; R516-W520 WeakPolarHBondContact O-CB 3.47Å; R516-W520 PolarHBondContact O-N 2.92Å
517L61.4Low62.2Low14 Ų1453 Ų537%0.07326%0.258CS..Hα-helixtrans-68.6-43.6175.8179.469.4000112W227 P228 Y368 N513 H514 E515 L519 W520 L521W227-L517 HydrophobicContact CE3-CD2 4.18Å; W227-L517 HydrophobicContact CH2-CD2 3.11Å; W227-L517 HydrophobicContact CZ2-CD2 4.12Å; W227-L517 HydrophobicContact CZ3-CD2 3.15Å; P228-L517 HydrophobicContact CG-CD1 4.31Å; Y368-L517 WeakPolarHBondContact OH-CD2 3.17Å; N513-L517 PolarHBondContact O-N 3.35Å; H514-L517 PolarHBondContact O-N 3.21Å; E515-L517 VanDerWaalsContact C-N 3.25Å; E515-L517 PolarHBondContact O-N 3.42Å; L517-L519 VanDerWaalsContact C-N 3.32Å; L517-L519 PolarHBondContact O-N 3.3Å; L517-W520 HydrophobicContact CD1-CE3 4.15Å; L517-W520 WeakPolarHBondContact O-CB 3.35Å; L517-W520 PolarHBondContact O-N 3.41Å; L517-W520 VanDerWaalsContact O-N 3.17Å; L517-L521 HydrophobicContact CD1-CG 4.46Å; L517-L521 HydrophobicContact CG-CD1 4.18Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 3.38Å
518A60.3Low60.1Low11 Ų1160.3 Ų60.39%0.09130%0.297CS..Hα-helixtrans-60.2-44.717800000111.1H514 E515 W520 L521 V522 S545H514-A518 WeakPolarHBondContact O-CB 3.45Å; H514-A518 PolarHBondContact O-N 3.41Å; E515-A518 PolarHBondContact O-N 3.08Å; E515-A518 VanDerWaalsContact O-N 3.11Å; A518-W520 VanDerWaalsContact C-N 3.33Å; A518-W520 PolarHBondContact O-N 3.36Å; A518-L521 PolarHBondContact O-N 3.05Å; A518-V522 WeakPolarHBondContact O-CG2 3.43Å; A518-V522 PolarHBondContact O-N 2.85Å; A518-V522 VanDerWaalsContact O-N 3.1Å; A518-S545 WeakPolarHBondContact CB-OG 3.44Å
519L60.8Low57.9Low56 Ų5664.9 Ų64.929%0.29332%0.323SS..Hα-helixtrans-60.3-40.4173.5-70.1170.9000112.2E515 L517 N523E515-L519 HydrophobicContact CG-CD1 4.22Å; E515-L519 WeakPolarHBondContact O-CG 3.47Å; E515-L519 PolarHBondContact O-N 3.39Å; L517-L519 VanDerWaalsContact C-N 3.32Å; L517-L519 PolarHBondContact O-N 3.3Å; L519-N523 VanDerWaalsContact O-CG 3.3Å; L519-N523 PolarHBondContact O-N 3.42Å; L519-N523 PolarHBondContact O-ND2 3.39Å
520W56.6Low56.1Low48 Ų4864 Ų6418%0.18233%0.328CS..Hα-helixtrans-64.4-42.7177.3-178.881000112.8L305 R516 L517 A518 N523 H524L305-W520 HydrophobicContact CD2-CG 4.5Å; R516-W520 WeakPolarHBondContact O-CB 3.47Å; R516-W520 PolarHBondContact O-N 2.92Å; L517-W520 HydrophobicContact CD1-CE3 4.15Å; L517-W520 WeakPolarHBondContact O-CB 3.35Å; L517-W520 PolarHBondContact O-N 3.41Å; L517-W520 VanDerWaalsContact O-N 3.17Å; A518-W520 VanDerWaalsContact C-N 3.33Å; A518-W520 PolarHBondContact O-N 3.36Å; W520-N523 PolarHBondContact O-N 3.38Å; W520-H524 AromaticContact CD2-CD2 3.93Å; W520-H524 AromaticContact CE2-CD2 3.25Å; W520-H524 AromaticContact CE2-NE2 3.61Å; W520-H524 AromaticContact CZ2-CD2 3.32Å; W520-H524 WeakPolarHBondContact CZ2-CD2 3.42Å; W520-H524 AromaticContact CZ2-NE2 3.43Å; W520-H524 WeakPolarHBondContact CZ2-NE2 3.41Å; W520-H524 AromaticContact NE1-CD2 3.37Å; W520-H524 PolarHBondContact NE1-CD2 2.87Å; W520-H524 AromaticContact NE1-NE2 3.54Å; W520-H524 PolarHBondContact O-N 2.85Å; W520-H524 VanDerWaalsContact O-N 3.12Å
521L52.3Low54.2Low45 Ų4572.8 Ų72.824%0.23637%0.369CS..Hα-helixtrans-64.4-44.7178.3-72.5169.6000111.8Y368 L517 A518 N523 H524 D525Y368-L521 HydrophobicContact CD1-CD1 3.91Å; Y368-L521 HydrophobicContact CD2-CD1 3.75Å; Y368-L521 HydrophobicContact CE1-CD1 3.82Å; Y368-L521 HydrophobicContact CE2-CD1 3.66Å; Y368-L521 HydrophobicContact CG-CD1 3.88Å; L517-L521 HydrophobicContact CD1-CG 4.46Å; L517-L521 HydrophobicContact CG-CD1 4.18Å; L517-L521 WeakPolarHBondContact O-CG 3.18Å; L517-L521 PolarHBondContact O-N 3.38Å; A518-L521 PolarHBondContact O-N 3.05Å; L521-N523 VanDerWaalsContact C-N 3.28Å; L521-N523 PolarHBondContact O-N 2.84Å; L521-H524 PolarHBondContact O-N 3.46Å; L521-D525 PolarHBondContact O-N 3.23Å
522V57Low52.1Low104 Ų10479.9 Ų79.963%0.6341%0.407SS*.Hα-helixtrans-60-39.6177.6172.90000111.5A518A518-V522 WeakPolarHBondContact O-CG2 3.43Å; A518-V522 PolarHBondContact O-N 2.85Å; A518-V522 VanDerWaalsContact O-N 3.1Å
523N52.4Low50.1Low88 Ų8886.2 Ų86.247%0.47143%0.43SS..Hα-helixtrans-71.7-31.3178.4-70.8-23.7000113.1L519 W520 L521 S526L519-N523 VanDerWaalsContact O-CG 3.3Å; L519-N523 PolarHBondContact O-N 3.42Å; L519-N523 PolarHBondContact O-ND2 3.39Å; W520-N523 PolarHBondContact O-N 3.38Å; L521-N523 VanDerWaalsContact C-N 3.28Å; L521-N523 PolarHBondContact O-N 2.84Å; N523-S526 PolarHBondContact O-OG 2.91Å
524H44.6Very low48.3Very low83 Ų8389.9 Ų89.938%0.38446%0.458SS..Hα-helixtrans-75.9-37.3-179.3-106.5-76.9000113.5W520 L521 S526 R527W520-H524 AromaticContact CD2-CD2 3.93Å; W520-H524 AromaticContact CE2-CD2 3.25Å; W520-H524 AromaticContact CE2-NE2 3.61Å; W520-H524 AromaticContact CZ2-CD2 3.32Å; W520-H524 WeakPolarHBondContact CZ2-CD2 3.42Å; W520-H524 AromaticContact CZ2-NE2 3.43Å; W520-H524 WeakPolarHBondContact CZ2-NE2 3.41Å; W520-H524 AromaticContact NE1-CD2 3.37Å; W520-H524 PolarHBondContact NE1-CD2 2.87Å; W520-H524 AromaticContact NE1-NE2 3.54Å; W520-H524 PolarHBondContact O-N 2.85Å; W520-H524 VanDerWaalsContact O-N 3.12Å; L521-H524 PolarHBondContact O-N 3.46Å; H524-S526 PolarHBondContact O-N 2.83Å; H524-R527 PolarHBondContact O-N 2.7Å
525D42.9Very low46.4Very low114 Ų11498.3 Ų98.361%0.6150%0.497SS*.Hα-helixtrans-66.1-19.4175.8-75.1-20.9000112.2L521L521-D525 PolarHBondContact O-N 3.23Å
526S42.2Very low44.5Very low65 Ų65104.5 Ų104.546%0.45553%0.531SS..THydrogen-bonded Turntrans-78.1-20.6176.8800000114.1N523 H524 I530N523-S526 PolarHBondContact O-OG 2.91Å; H524-S526 PolarHBondContact O-N 2.83Å; S526-I530 WeakPolarHBondContact O-CG1 3.12Å
527R39Very low42.7Very low153 Ų153107.7 Ų107.758%0.57755%0.553SS**THydrogen-bonded Turntrans-79.7-21.5-167.1-150.4171.8-176.3171.21.1114.5E309 H524 I530E309-R527 IonicContact OE1-CZ 3.06Å; E309-R527 IonicContact OE1-NH1 3.91Å; E309-R527 PolarHBondContact OE1-NH1 2.76Å; E309-R527 IonicContact OE1-NH2 2.8Å; H524-R527 PolarHBondContact O-N 2.7Å; R527-I530 HydrophobicContact CG-CD1 4.46Å
528D39.2Very low41.2Very low152 Ų152114 Ų11481%0.81359%0.586SS**THydrogen-bonded Turntrans-982.4179.9-69.9-23000113.8
529N36Very low39.7Very low124 Ų124117.4 Ų117.466%0.66361%0.607SS**  trans-125.516.2-178.3-79.9-45000114.5E531N529-E531 PolarHBondContact O-N 2.67Å; N529-E531 VanDerWaalsContact O-N 3.15Å
530I38.7Very low38.5Very low129 Ų129120.2 Ų120.266%0.66263%0.631SS**THydrogen-bonded Turntrans-68-14.1-169.7-61.6-171.9000114.1S526 R527S526-I530 WeakPolarHBondContact O-CG1 3.12Å; R527-I530 HydrophobicContact CG-CD1 4.46Å
531E35.2Very low37.6Very low184 Ų184121.6 Ų121.686%0.8664%0.642SS**THydrogen-bonded Turntrans-91.8-7.1-176-72.4-173163.100115.9N529N529-E531 PolarHBondContact O-N 2.67Å; N529-E531 VanDerWaalsContact O-N 3.15Å
532N33.6Very low37.3Very low150 Ų150123.2 Ų123.280%0.80265%0.654SS**SBendtrans-142.916-168.3-84.6-37.9000119.2
533K32.2Very low37.3Very low166 Ų166121.5 Ų121.572%0.72264%0.641SS**  trans-134.586.9171.1-76-176.1179.8172.90112.6
534S29.3Very low37.8Very low99 Ų99119 Ų11969%0.69263%0.631SS**  trans-44.4136.4151.150.30000111.1N536S534-N536 PolarHBondContact O-N 3.03Å
535E27.8Very low38.7Very low185 Ų185116.8 Ų116.886%0.86462%0.624SS**  trans34.479150.4-67.7179149.600115.9
536N27.8Very low39.9Very low138 Ų138111.5 Ų111.574%0.73860%0.596SS**  trans-136.184.8159.2-89.6-45.3000109.6S534 L538S534-N536 PolarHBondContact O-N 3.03Å; N536-L538 PolarHBondContact O-N 3.23Å
537I28.2Very low41.1Very low154 Ų154110.7 Ų110.779%0.7959%0.585SS**  trans1.8101.4141.4-55.8161.8000112.4
538L28.6Very low42.5Very low146 Ų146105.7 Ų105.776%0.76457%0.569SS**  trans-65.6129.6154.6-12088000106.6N536 S540N536-L538 PolarHBondContact O-N 3.23Å; L538-S540 PolarHBondContact O-N 3.21Å
539P28.4Very low44Very low82 Ų8298.5 Ų98.553%0.53253%0.531SS..  trans-58.5131176.3-15.126.7000109.1D541 T542P539-D541 PolarHBondContact O-N 3.41Å; P539-T542 PolarHBondContact O-OG1 3.49Å
540S36.4Very low46Very low115 Ų11592.9 Ų92.980%0.80450%0.501SS*.THydrogen-bonded Turntrans-57.9-0.2174.552.60000115.1L538L538-S540 PolarHBondContact O-N 3.21Å
541D38.5Very low47.7Very low77 Ų7791.9 Ų91.941%0.41249%0.493SS..THydrogen-bonded Turntrans-110.27.2-164-68.99.9000112.9T424 P539T424-D541 PolarHBondContact OG1-OD2 2.88Å; P539-D541 PolarHBondContact O-N 3.41Å
542T45.8Very low49.5Very low79 Ų7984.4 Ų84.449%0.48546%0.46SS..SBendtrans-91.4117.6174.744.70000110.1P539 S544P539-T542 PolarHBondContact O-OG1 3.49Å; T542-S544 PolarHBondContact O-N 2.95Å
543L55.8Low51.8Low68 Ų6877.3 Ų77.336%0.35642%0.422SS..PPolyproline II helixtrans-49.2129.1173.5-107.589.2000109.1L420 E547 I548L420-L543 HydrophobicContact CB-CD1 4.41Å; L543-E547 WeakPolarHBondContact CA-OE2 3.48Å; L543-E547 HydrophobicContact CB-CB 4.39Å; L543-E547 HydrophobicContact CD2-CB 3.67Å; L543-E547 HydrophobicContact CG-CB 4Å; L543-I548 HydrophobicContact CB-CD1 4.3Å; L543-I548 HydrophobicContact CB-CG1 3.98Å; L543-I548 HydrophobicContact CD2-CG1 3.98Å
544S63.9Low54.2Low37 Ų3769.9 Ų69.926%0.25939%0.39SS..PPolyproline II helixtrans-57.8147.5173.264.70000109.9T542 L546 E547 I548T542-S544 PolarHBondContact O-N 2.95Å; S544-L546 PolarHBondContact O-N 2.94Å; S544-E547 PolarHBondContact N-OE2 2.67Å; S544-E547 WeakPolarHBondContact O-CB 3.44Å; S544-E547 PolarHBondContact O-N 3.2Å; S544-E547 VanDerWaalsContact OG-CD 3.25Å; S544-E547 VanDerWaalsContact OG-CG 3.26Å; S544-E547 WeakPolarHBondContact OG-CG 3.17Å; S544-E547 PolarHBondContact OG-N 3.43Å; S544-E547 PolarHBondContact OG-OE2 2.91Å; S544-I548 PolarHBondContact O-N 3.29Å
545S63.4Low56.5Low36 Ų3670.1 Ų70.125%0.25238%0.379SS..Hα-helixtrans-55.1-27.1174.758.80000112.4A518 T549A518-S545 WeakPolarHBondContact CB-OG 3.44Å; S545-T549 VanDerWaalsContact O-CB 3.3Å; S545-T549 WeakPolarHBondContact O-CB 3.4Å; S545-T549 PolarHBondContact O-N 3.36Å; S545-T549 VanDerWaalsContact O-N 3.09Å; S545-T549 PolarHBondContact O-OG1 2.73Å
546L68.4Low58.8Low3 Ų363.8 Ų63.82%0.01635%0.349CS..Hα-helixtrans-67-48.8174.1-176.365.6000111.9L291 W294 I295 L511 E515 S544 I548 T549 L550L291-L546 HydrophobicContact CD1-CD2 3.82Å; L291-L546 HydrophobicContact CD1-CG 4.28Å; W294-L546 HydrophobicContact CD2-CD2 4.28Å; W294-L546 HydrophobicContact CE3-CD1 4.31Å; W294-L546 HydrophobicContact CE3-CD2 3.65Å; W294-L546 HydrophobicContact CE3-CG 4.32Å; W294-L546 HydrophobicContact CH2-CD1 3.97Å; W294-L546 HydrophobicContact CZ3-CD1 3.71Å; W294-L546 HydrophobicContact CZ3-CD2 3.9Å; W294-L546 HydrophobicContact CZ3-CG 4.07Å; I295-L546 HydrophobicContact CD1-CD2 4.1Å; I295-L546 HydrophobicContact CG1-CD2 3.41Å; I295-L546 VanDerWaalsContact CG1-CD2 3.41Å; L511-L546 HydrophobicContact CB-CD1 4.19Å; L511-L546 HydrophobicContact CD2-CD1 3.97Å; E515-L546 HydrophobicContact CB-CD1 4.22Å; E515-L546 WeakPolarHBondContact OE2-CD2 3.35Å; S544-L546 PolarHBondContact O-N 2.94Å; L546-I548 VanDerWaalsContact C-N 3.3Å; L546-I548 PolarHBondContact O-N 3.42Å; L546-T549 PolarHBondContact O-N 3.44Å; L546-L550 WeakPolarHBondContact O-CB 3.33Å; L546-L550 PolarHBondContact O-N 2.77Å
547E67.2Low61.3Low47 Ų4757.4 Ų57.422%0.2232%0.315CS..Hα-helixtrans-57.2-44.3177.6-80.8158.7165.500111.6L291 L543 S544 L550 H551L291-E547 HydrophobicContact CD2-CB 4.45Å; L291-E547 HydrophobicContact CD2-CG 3.23Å; L291-E547 HydrophobicContact CG-CG 4.19Å; L543-E547 WeakPolarHBondContact CA-OE2 3.48Å; L543-E547 HydrophobicContact CB-CB 4.39Å; L543-E547 HydrophobicContact CD2-CB 3.67Å; L543-E547 HydrophobicContact CG-CB 4Å; S544-E547 PolarHBondContact N-OE2 2.67Å; S544-E547 WeakPolarHBondContact O-CB 3.44Å; S544-E547 PolarHBondContact O-N 3.2Å; S544-E547 VanDerWaalsContact OG-CD 3.25Å; S544-E547 VanDerWaalsContact OG-CG 3.26Å; S544-E547 WeakPolarHBondContact OG-CG 3.17Å; S544-E547 PolarHBondContact OG-N 3.43Å; S544-E547 PolarHBondContact OG-OE2 2.91Å; E547-L550 PolarHBondContact O-N 3.35Å; E547-H551 WeakPolarHBondContact O-CB 3.46Å; E547-H551 PolarHBondContact O-N 3.06Å
548I68.6Low63.8Low48 Ų4850 Ų5025%0.24628%0.277CS..Hα-helixtrans-63.2-48.3177.4-59.8173.3000110.4L543 S544 L546 L550 H551 V552L543-I548 HydrophobicContact CB-CD1 4.3Å; L543-I548 HydrophobicContact CB-CG1 3.98Å; L543-I548 HydrophobicContact CD2-CG1 3.98Å; S544-I548 PolarHBondContact O-N 3.29Å; L546-I548 VanDerWaalsContact C-N 3.3Å; L546-I548 PolarHBondContact O-N 3.42Å; I548-L550 PolarHBondContact O-N 2.94Å; I548-H551 PolarHBondContact O-N 2.81Å; I548-V552 WeakPolarHBondContact O-CG2 3.43Å; I548-V552 PolarHBondContact O-N 2.67Å
549T69.8Low66.2Low2 Ų245.2 Ų45.21%0.01226%0.255CS..Hα-helixtrans-62.2-44.1-179.8-61.40000111.2I371 L511 S545 L546 V552 I553I371-T549 HydrophobicContact CD1-CG2 3.64Å; L511-T549 HydrophobicContact CD2-CG2 3.49Å; L511-T549 VanDerWaalsContact CD2-CG2 3.49Å; S545-T549 VanDerWaalsContact O-CB 3.3Å; S545-T549 WeakPolarHBondContact O-CB 3.4Å; S545-T549 PolarHBondContact O-N 3.36Å; S545-T549 VanDerWaalsContact O-N 3.09Å; S545-T549 PolarHBondContact O-OG1 2.73Å; L546-T549 PolarHBondContact O-N 3.44Å; T549-V552 PolarHBondContact O-N 2.89Å; T549-I553 HydrophobicContact CG2-CD1 4.12Å; T549-I553 WeakPolarHBondContact O-CG1 3.22Å; T549-I553 PolarHBondContact O-N 3.5Å
550L79.2Confident68.5Low6 Ų642.4 Ų42.43%0.03124%0.235CC..Hα-helixtrans-60.8-48.7177.3178.264.9000110.7L291 L511 L546 E547 I548 V552 I553 V554 L592L291-L550 HydrophobicContact CD1-CD2 3.83Å; L291-L550 HydrophobicContact CD2-CD2 4.28Å; L511-L550 HydrophobicContact CD1-CD1 3.91Å; L511-L550 HydrophobicContact CD2-CB 4.19Å; L546-L550 WeakPolarHBondContact O-CB 3.33Å; L546-L550 PolarHBondContact O-N 2.77Å; E547-L550 PolarHBondContact O-N 3.35Å; I548-L550 PolarHBondContact O-N 2.94Å; L550-V552 VanDerWaalsContact C-N 3.31Å; L550-V552 PolarHBondContact O-N 3.2Å; L550-I553 PolarHBondContact O-N 3.46Å; L550-V554 HydrophobicContact CD1-CG2 3.95Å; L550-V554 HydrophobicContact CG-CG2 4.26Å; L550-V554 WeakPolarHBondContact O-CB 3.46Å; L550-V554 VanDerWaalsContact O-CG2 3.23Å; L550-V554 WeakPolarHBondContact O-CG2 3.33Å; L550-V554 PolarHBondContact O-N 2.93Å; L550-L592 HydrophobicContact CD1-CB 3.82Å; L550-L592 HydrophobicContact CD1-CD1 3.69Å; L550-L592 HydrophobicContact CD1-CG 4.41Å
551H73.5Confident70.5Confident108 Ų10837.2 Ų37.250%0.520%0.198SC..Hα-helixtrans-58.8-43.1178.3-173.978.2000111.7E547 I548 V554 K555E547-H551 WeakPolarHBondContact O-CB 3.46Å; E547-H551 PolarHBondContact O-N 3.06Å; I548-H551 PolarHBondContact O-N 2.81Å; H551-V554 PolarHBondContact O-N 3.03Å; H551-K555 VanDerWaalsContact O-CB 3.28Å; H551-K555 WeakPolarHBondContact O-CB 3.36Å; H551-K555 PolarHBondContact O-N 3.23Å
552V73.2Confident72.5Confident26 Ų2633.7 Ų33.716%0.15818%0.179CC..Hα-helixtrans-64-45.6176.6175.70000111.3I371 I374 I548 T549 L550 H556I371-V552 HydrophobicContact CG2-CB 4.4Å; I371-V552 HydrophobicContact CG2-CG1 3.8Å; I371-V552 HydrophobicContact CG2-CG2 4.43Å; I374-V552 HydrophobicContact CD1-CG1 3.87Å; I548-V552 WeakPolarHBondContact O-CG2 3.43Å; I548-V552 PolarHBondContact O-N 2.67Å; T549-V552 PolarHBondContact O-N 2.89Å; L550-V552 VanDerWaalsContact C-N 3.31Å; L550-V552 PolarHBondContact O-N 3.2Å; V552-H556 PolarHBondContact O-N 2.67Å; V552-H556 PolarHBondContact O-ND1 3.47Å
553I81.3Confident73.9Confident2 Ų231.5 Ų31.51%0.0116%0.162CC..Hα-helixtrans-62.2-48.3178.1-72.6177.8000110.3L507 L511 T549 L550 K555 H556 F557 L592L507-I553 HydrophobicContact CD1-CG2 4.06Å; L507-I553 HydrophobicContact CD2-CD1 4.42Å; L507-I553 HydrophobicContact CD2-CG2 3.9Å; L507-I553 HydrophobicContact CG-CG2 4.42Å; L511-I553 HydrophobicContact CD1-CD1 4.25Å; L511-I553 HydrophobicContact CD2-CD1 3.84Å; L511-I553 HydrophobicContact CG-CD1 3.8Å; T549-I553 HydrophobicContact CG2-CD1 4.12Å; T549-I553 WeakPolarHBondContact O-CG1 3.22Å; T549-I553 PolarHBondContact O-N 3.5Å; L550-I553 PolarHBondContact O-N 3.46Å; I553-K555 PolarHBondContact O-N 3.44Å; I553-H556 PolarHBondContact O-N 3.33Å; I553-F557 HydrophobicContact CG2-CD2 4Å; I553-F557 HydrophobicContact CG2-CG 4.44Å; I553-F557 VanDerWaalsContact O-CB 3.29Å; I553-F557 WeakPolarHBondContact O-CB 3.17Å; I553-F557 WeakPolarHBondContact O-CD2 3.36Å; I553-F557 PolarHBondContact O-N 3.31Å; I553-L592 HydrophobicContact CG2-CD1 3.87Å
554V82.8Confident74.8Confident9 Ų928.3 Ų28.36%0.05515%0.146CC..Hα-helixtrans-59.1-47.3-178.4168.60000111.2L550 H551 H556 G558 E585 L588 C589 L592L550-V554 HydrophobicContact CD1-CG2 3.95Å; L550-V554 HydrophobicContact CG-CG2 4.26Å; L550-V554 WeakPolarHBondContact O-CB 3.46Å; L550-V554 VanDerWaalsContact O-CG2 3.23Å; L550-V554 WeakPolarHBondContact O-CG2 3.33Å; L550-V554 PolarHBondContact O-N 2.93Å; H551-V554 PolarHBondContact O-N 3.03Å; V554-H556 VanDerWaalsContact C-N 3.35Å; V554-H556 PolarHBondContact O-N 3.42Å; V554-G558 WeakPolarHBondContact O-CA 3.31Å; V554-G558 PolarHBondContact O-N 3.44Å; V554-E585 VanDerWaalsContact CG1-CA 3.41Å; V554-E585 HydrophobicContact CG1-CB 3.5Å; V554-E585 VanDerWaalsContact CG1-CB 3.5Å; V554-E585 HydrophobicContact CG1-CG 3.98Å; V554-E585 WeakPolarHBondContact CG1-O 3.5Å; V554-L588 HydrophobicContact CG2-CG 4.41Å; V554-C589 HydrophobicContact CG1-CB 4.45Å; V554-C589 HydrophobicContact CG2-CB 3.93Å; V554-L592 HydrophobicContact CG2-CD1 3.89Å
555K78Confident74.9Confident104 Ų10429.6 Ų29.645%0.45215%0.154SC..Hα-helixtrans-63-36.7179.8-173.1170.4-174.1165.20113.5H551 I553 P559H551-K555 VanDerWaalsContact O-CB 3.28Å; H551-K555 WeakPolarHBondContact O-CB 3.36Å; H551-K555 PolarHBondContact O-N 3.23Å; I553-K555 PolarHBondContact O-N 3.44Å; K555-P559 WeakPolarHBondContact O-CD 3.24Å
556H76.1Confident74.8Confident52 Ų5229.4 Ų29.424%0.24115%0.153CC..Hα-helixtrans-88.4-38.1-177.4-68.582.6000113I374 V552 I553 V554 L560I374-H556 WeakPolarHBondContact CG2-NE2 3.3Å; V552-H556 PolarHBondContact O-N 2.67Å; V552-H556 PolarHBondContact O-ND1 3.47Å; I553-H556 PolarHBondContact O-N 3.33Å; V554-H556 VanDerWaalsContact C-N 3.35Å; V554-H556 PolarHBondContact O-N 3.42Å; H556-L560 WeakPolarHBondContact O-CD1 3.5Å; H556-L560 VanDerWaalsContact O-CG 3.31Å; H556-L560 WeakPolarHBondContact O-CG 3.47Å
557F80.7Confident74.5Confident4 Ų433 Ų332%0.01817%0.172CC..Hα-helixtrans-90.7-25.6-176.1-74.6-100.2000112.9L221 L248 T251 L255 M503 L507 I553 L560 L561 L588L221-F557 HydrophobicContact CD1-CE1 4.49Å; L221-F557 HydrophobicContact CD2-CZ 4.39Å; L248-F557 HydrophobicContact CD2-CE2 4.26Å; L248-F557 HydrophobicContact CD2-CZ 4.31Å; T251-F557 HydrophobicContact CG2-CE1 3.87Å; T251-F557 HydrophobicContact CG2-CZ 3.95Å; L255-F557 HydrophobicContact CD1-CD1 3.81Å; L255-F557 HydrophobicContact CD1-CE1 3.52Å; M503-F557 HydrophobicContact CE-CD1 4.46Å; M503-F557 HydrophobicContact CE-CE1 4.23Å; L507-F557 HydrophobicContact CD1-CB 4.3Å; L507-F557 HydrophobicContact CD1-CD1 4Å; L507-F557 HydrophobicContact CD1-CG 4.12Å; L507-F557 HydrophobicContact CD2-CD1 4.29Å; L507-F557 HydrophobicContact CD2-CD2 4.44Å; L507-F557 HydrophobicContact CD2-CE1 4.08Å; L507-F557 HydrophobicContact CD2-CE2 4.24Å; L507-F557 HydrophobicContact CD2-CG 4.46Å; L507-F557 HydrophobicContact CD2-CZ 4.06Å; I553-F557 HydrophobicContact CG2-CD2 4Å; I553-F557 HydrophobicContact CG2-CG 4.44Å; I553-F557 VanDerWaalsContact O-CB 3.29Å; I553-F557 WeakPolarHBondContact O-CB 3.17Å; I553-F557 WeakPolarHBondContact O-CD2 3.36Å; I553-F557 PolarHBondContact O-N 3.31Å; F557-L560 PolarHBondContact O-N 2.84Å; F557-L561 HydrophobicContact CB-CD1 4.06Å; F557-L561 HydrophobicContact CB-CG 4.34Å; F557-L561 HydrophobicContact CD1-CD1 4.38Å; F557-L561 WeakPolarHBondContact O-CB 3.4Å; F557-L561 WeakPolarHBondContact O-CG 3.47Å; F557-L561 PolarHBondContact O-N 3.33Å; F557-L588 HydrophobicContact CB-CD2 3.79Å
558G80.7Confident73.6Confident0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-53.8-59.1-179.600000112.2V554 L560 L561 L562 L588V554-G558 WeakPolarHBondContact O-CA 3.31Å; V554-G558 PolarHBondContact O-N 3.44Å; G558-L560 PolarHBondContact O-N 2.99Å; G558-L561 PolarHBondContact O-N 3.02Å; G558-L562 WeakPolarHBondContact O-CB 3.42Å; G558-L562 PolarHBondContact O-N 2.72Å; G558-L588 VanDerWaalsContact N-CD2 3.26Å
559P78Confident72.5Confident45 Ų4537.2 Ų37.229%0.29222%0.216SC..Hα-helixtrans-63.2-23176.4-23.334.2000114.4K555 R563K555-P559 WeakPolarHBondContact O-CD 3.24Å; P559-R563 VanDerWaalsContact O-CG 3.26Å; P559-R563 WeakPolarHBondContact O-CG 3.32Å
560L77.1Confident71.3Confident23 Ų2340.5 Ų40.512%0.1224%0.236CC..Hα-helixtrans-86.1-35.4-177.9-67.5174.2000113.5T252 K256 H556 F557 G558T252-L560 HydrophobicContact CG2-CD1 3.61Å; K256-L560 HydrophobicContact CB-CD2 4.35Å; H556-L560 WeakPolarHBondContact O-CD1 3.5Å; H556-L560 VanDerWaalsContact O-CG 3.31Å; H556-L560 WeakPolarHBondContact O-CG 3.47Å; F557-L560 PolarHBondContact O-N 2.84Å; G558-L560 PolarHBondContact O-N 2.99Å
561L78.8Confident69.4Low6 Ų649.5 Ų49.53%0.03128%0.275CS..Hα-helixtrans-87.6-36179.9-65.5179.3000111.4L500 M503 L507 F557 G558 L588L500-L561 HydrophobicContact CD1-CB 4.35Å; M503-L561 HydrophobicContact CB-CD1 4.13Å; M503-L561 HydrophobicContact CB-CD2 3.87Å; M503-L561 HydrophobicContact CE-CD2 4.15Å; M503-L561 HydrophobicContact CG-CD2 3.8Å; L507-L561 HydrophobicContact CD1-CD1 4.04Å; F557-L561 HydrophobicContact CB-CD1 4.06Å; F557-L561 HydrophobicContact CB-CG 4.34Å; F557-L561 HydrophobicContact CD1-CD1 4.38Å; F557-L561 WeakPolarHBondContact O-CB 3.4Å; F557-L561 WeakPolarHBondContact O-CG 3.47Å; F557-L561 PolarHBondContact O-N 3.33Å; G558-L561 PolarHBondContact O-N 3.02Å; L561-L588 HydrophobicContact CD1-CD1 4.1Å; L561-L588 HydrophobicContact CD1-CD2 4.42Å
562L80Confident67.6Low3 Ų351.6 Ų51.62%0.01629%0.29CS..SBendtrans-109.757-178.9-55.8171.1000109.8I263 L500 G558 W583 R584 L587 L588I263-L562 HydrophobicContact CD1-CB 3.63Å; I263-L562 HydrophobicContact CD1-CD2 3.69Å; I263-L562 HydrophobicContact CD1-CG 4.24Å; L500-L562 HydrophobicContact CD1-CD2 4.08Å; L500-L562 HydrophobicContact CD2-CD2 4.26Å; G558-L562 WeakPolarHBondContact O-CB 3.42Å; G558-L562 PolarHBondContact O-N 2.72Å; L562-W583 HydrophobicContact CD1-CZ3 4.23Å; L562-R584 HydrophobicContact CB-CB 4.31Å; L562-R584 HydrophobicContact CB-CG 4.23Å; L562-R584 HydrophobicContact CD1-CB 4.07Å; L562-R584 WeakPolarHBondContact CD1-O 3.26Å; L562-R584 WeakPolarHBondContact O-CD 3.15Å; L562-R584 PolarHBondContact O-NH1 3.11Å; L562-L587 HydrophobicContact CD1-CB 4.2Å; L562-L587 HydrophobicContact CD1-CD2 3.92Å; L562-L587 HydrophobicContact CD1-CG 4.26Å; L562-L587 HydrophobicContact CD2-CD2 4.29Å; L562-L588 HydrophobicContact CD1-CB 4.48Å
563R76.3Confident65.8Low32 Ų3254.5 Ų54.512%0.12131%0.308CS..  trans-66.6143.9177.6-74.9-177.8-176.8176.20.4110.7L255 K256 F258 C262 I263 P559L255-R563 PolarHBondContact O-NH2 3.04Å; K256-R563 VanDerWaalsContact C-NH2 3.32Å; K256-R563 VanDerWaalsContact CA-NH2 3.26Å; K256-R563 PolarHBondContact O-NH2 3.49Å; F258-R563 PolarHBondContact O-NH1 3.37Å; C262-R563 CarbonylContact C-O 3.6Å; C262-R563 WeakPolarHBondContact CA-O 3.21Å; I263-R563 PolarHBondContact N-O 3.09Å; P559-R563 VanDerWaalsContact O-CG 3.26Å; P559-R563 WeakPolarHBondContact O-CG 3.32Å
564V74.6Confident63.6Low2 Ų260.6 Ų60.61%0.01235%0.345CS..BIsolated β-bridgetrans-126.5146.5179.9179.60000109E268 S566 D567 W583 R584E268-V564 HydrophobicContact CB-CG1 4.4Å; E268-V564 HydrophobicContact CG-CG1 3.75Å; E268-V564 HydrophobicContact CG-CG2 4.23Å; E268-V564 WeakPolarHBondContact OE1-CG1 3.37Å; E268-V564 WeakPolarHBondContact OE2-CG1 3.38Å; V564-S566 WeakPolarHBondContact CG1-OG 3.36Å; V564-S566 PolarHBondContact O-N 2.77Å; V564-S566 VanDerWaalsContact O-N 3.13Å; V564-D567 PolarHBondContact N-OD2 2.9Å; V564-D567 VanDerWaalsContact N-OD2 3.09Å; V564-D567 VanDerWaalsContact O-CB 3.27Å; V564-D567 WeakPolarHBondContact O-CB 3.35Å; V564-D567 PolarHBondContact O-N 2.92Å; V564-W583 HydrophobicContact CG2-CH2 4.37Å; V564-W583 HydrophobicContact CG2-CZ2 3.93Å; V564-R584 VanDerWaalsContact CB-NH2 3.28Å; V564-R584 VanDerWaalsContact CG2-NH2 3.29Å
565S65.1Low61.3Low63 Ų6367.2 Ų67.244%0.44138%0.38SS..G310 helixtrans-57.9-26.9179.7-52.40000113.3D567 S568S565-D567 PolarHBondContact O-N 3.13Å; S565-S568 PolarHBondContact O-N 3.05Å; S565-S568 PolarHBondContact O-OG 3.37Å
566S60.6Low59.3Low32 Ų3271.6 Ų71.622%0.22440%0.399CS..G310 helixtrans-66.4-20.3174.555.40000113.5V564 S568 A569 V570V564-S566 WeakPolarHBondContact CG1-OG 3.36Å; V564-S566 PolarHBondContact O-N 2.77Å; V564-S566 VanDerWaalsContact O-N 3.13Å; S566-S568 PolarHBondContact O-N 3.4Å; S566-A569 PolarHBondContact O-N 3.4Å; S566-V570 WeakPolarHBondContact O-CG2 3.16Å
567D61.9Low57.5Low78 Ų7871.6 Ų71.642%0.41740%0.403SS..G310 helixtrans-66.3-24.3-179.8-62.6-23.9000112.7V564 S565 R584V564-D567 PolarHBondContact N-OD2 2.9Å; V564-D567 VanDerWaalsContact N-OD2 3.09Å; V564-D567 VanDerWaalsContact O-CB 3.27Å; V564-D567 WeakPolarHBondContact O-CB 3.35Å; V564-D567 PolarHBondContact O-N 2.92Å; S565-D567 PolarHBondContact O-N 3.13Å; D567-R584 VanDerWaalsContact CG-NH1 3.31Å; D567-R584 IonicContact OD1-CZ 2.7Å; D567-R584 IonicContact OD1-NH1 4Å; D567-R584 PolarHBondContact OD1-NH1 3.46Å; D567-R584 VanDerWaalsContact OD1-NH1 3.11Å; D567-R584 IonicContact OD1-NH2 2.95Å; D567-R584 PolarHBondContact OD1-NH2 3.05Å; D567-R584 IonicContact OD2-CZ 2.65Å; D567-R584 IonicContact OD2-NH1 3.88Å; D567-R584 PolarHBondContact OD2-NH1 3.31Å; D567-R584 IonicContact OD2-NH2 3.09Å
568S50.1Low55.3Low105 Ų10577.4 Ų77.473%0.73444%0.439SS*.G310 helixtrans-83.2-21.2177.151.40000113.9S565 S566S565-S568 PolarHBondContact O-N 3.05Å; S565-S568 PolarHBondContact O-OG 3.37Å; S566-S568 PolarHBondContact O-N 3.4Å
569A45.5Very low53.7Low79 Ų7981.5 Ų81.565%0.65347%0.467SS*.THydrogen-bonded Turntrans-86.4-16.4-17600000113.9S566 K571S566-A569 PolarHBondContact O-N 3.4Å; A569-K571 VanDerWaalsContact C-N 3.3Å; A569-K571 PolarHBondContact O-N 2.9Å
570V43.5Very low52.4Low72 Ų7284.5 Ų84.544%0.43647%0.473SS..THydrogen-bonded Turntrans-88.755.9-171.8-1710000112.1S566S566-V570 WeakPolarHBondContact O-CG2 3.16Å
571K40.2Very low51.4Low194 Ų19487 Ų8784%0.84349%0.485SS*.THydrogen-bonded Turntrans-87.8-14.3163.6-88.9-176.3178.6174.70113.6A569A569-K571 VanDerWaalsContact C-N 3.3Å; A569-K571 PolarHBondContact O-N 2.9Å
572N35.4Very low50.9Low153 Ų15393.7 Ų93.782%0.81851%0.51SS*.SBendtrans-133.36.7-169.2-78.5-14.5000117
573T35Very low51Low86 Ų8693.9 Ų93.953%0.52851%0.511SS..  trans-124.567.7-177.939.80000112.1N575T573-N575 PolarHBondContact O-N 3.24Å
574V35Very low51.3Low130 Ų13092.8 Ų92.879%0.78851%0.507SS*.THydrogen-bonded Turntrans-63.4111.6156.7-171.20000105.4
575N34Very low51.6Low148 Ų14895.1 Ų95.179%0.79152%0.517SS*.THydrogen-bonded Turntrans1465.7153.3-68.2-19.4000118.2T573T573-N575 PolarHBondContact O-N 3.24Å
576K36.9Very low52.4Low196 Ų19693.1 Ų93.185%0.85250%0.503SS*.SBendtrans-140.95.6178.7-79.8-168.9177.2-179.70119
577T37.5Very low53.7Low53 Ų5391.6 Ų91.633%0.32549%0.492SS..  trans-112.910.8-166.448.30000116.3S579 R580T577-S579 PolarHBondContact O-N 3.35Å; T577-R580 PolarHBondContact O-N 2.84Å
578T36.1Very low54.9Low126 Ų12687.9 Ų87.977%0.77347%0.473SS*.THydrogen-bonded Turntrans-63.2-22-178.635.50000114.3
579S45.6Very low56.5Low85 Ų8583.3 Ų83.359%0.59444%0.441SS*.THydrogen-bonded Turntrans-79-41.8176.155.80000113.5T577 I581 R582T577-S579 PolarHBondContact O-N 3.35Å; S579-I581 PolarHBondContact O-N 3.43Å; S579-R582 PolarHBondContact O-N 2.84Å
580R51.2Low58.4Low109 Ų10979.6 Ų79.641%0.41141%0.41SS..THydrogen-bonded Turntrans-62.7-16.5-174.5-87.4-173.2172.6168.82.2114.9D272 T577 W583D272-R580 IonicContact OD2-NE 3.45Å; T577-R580 PolarHBondContact O-N 2.84Å; R580-W583 VanDerWaalsContact O-CD1 3.27Å; R580-W583 PolarHBondContact O-NE1 2.93Å
581I55.6Low60.4Low75 Ų7576.2 Ų76.239%0.38539%0.389SS..THydrogen-bonded Turntrans-85.4-19.4-175.9-61.9171.3000111.4S579S579-I581 PolarHBondContact O-N 3.43Å
582R68.9Low62.6Low147 Ų14767 Ų6756%0.55535%0.35SS*.Hα-helixtrans-71-39-171.2-71.8-173.6167.9-171.9-3.4114.1D280 S579 R584 E585 C586D280-R582 IonicContact OD2-NH1 3.98Å; S579-R582 PolarHBondContact O-N 2.84Å; R582-R584 PolarHBondContact O-N 3.26Å; R582-E585 PolarHBondContact O-N 3.26Å; R582-C586 WeakPolarHBondContact O-CB 3.29Å; R582-C586 PolarHBondContact O-N 3.41Å; R582-C586 PolarHBondContact O-SG 3.18Å
583W81.7Confident64.6Low6 Ų659.9 Ų59.92%0.02331%0.311CS..Hα-helixtrans-62.5-31.1-175.872.4-106.9000112.5I263 E268 L271 F275 L562 V564 R580 C586 L587I263-W583 HydrophobicContact CD1-CH2 3.74Å; I263-W583 HydrophobicContact CD1-CZ3 4.34Å; E268-W583 HydrophobicContact CG-CZ2 4.11Å; L271-W583 HydrophobicContact CB-CD2 4.2Å; L271-W583 HydrophobicContact CB-CE3 3.94Å; L271-W583 HydrophobicContact CB-CH2 4.46Å; L271-W583 HydrophobicContact CB-CZ3 4.11Å; L271-W583 HydrophobicContact CD1-CE3 4.12Å; L271-W583 HydrophobicContact CD1-CH2 3.87Å; L271-W583 HydrophobicContact CD1-CZ3 3.5Å; L271-W583 VanDerWaalsContact CD1-CZ3 3.5Å; L271-W583 HydrophobicContact CG-CZ3 4.36Å; F275-W583 HydrophobicContact CB-CB 3.66Å; F275-W583 HydrophobicContact CD1-CB 4.38Å; F275-W583 HydrophobicContact CD2-CB 3.58Å; F275-W583 HydrophobicContact CE2-CB 4.31Å; F275-W583 HydrophobicContact CG-CB 3.61Å; L562-W583 HydrophobicContact CD1-CZ3 4.23Å; V564-W583 HydrophobicContact CG2-CH2 4.37Å; V564-W583 HydrophobicContact CG2-CZ2 3.93Å; R580-W583 VanDerWaalsContact O-CD1 3.27Å; R580-W583 PolarHBondContact O-NE1 2.93Å; W583-C586 PolarHBondContact O-N 3.21Å; W583-L587 HydrophobicContact CE3-CB 4.4Å; W583-L587 HydrophobicContact CE3-CD2 4.24Å; W583-L587 HydrophobicContact CZ3-CD2 3.91Å; W583-L587 WeakPolarHBondContact O-CB 3.39Å; W583-L587 PolarHBondContact O-N 2.89Å
584R83.9Confident66.7Low10 Ų1055.9 Ų55.94%0.03829%0.287CS..Hα-helixtrans-67.9-43.9179.7-59.6179.7-164.4-175.818.7111.6L562 V564 D567 R582 L588L562-R584 HydrophobicContact CB-CB 4.31Å; L562-R584 HydrophobicContact CB-CG 4.23Å; L562-R584 HydrophobicContact CD1-CB 4.07Å; L562-R584 WeakPolarHBondContact CD1-O 3.26Å; L562-R584 WeakPolarHBondContact O-CD 3.15Å; L562-R584 PolarHBondContact O-NH1 3.11Å; V564-R584 VanDerWaalsContact CB-NH2 3.28Å; V564-R584 VanDerWaalsContact CG2-NH2 3.29Å; D567-R584 VanDerWaalsContact CG-NH1 3.31Å; D567-R584 IonicContact OD1-CZ 2.7Å; D567-R584 IonicContact OD1-NH1 4Å; D567-R584 PolarHBondContact OD1-NH1 3.46Å; D567-R584 VanDerWaalsContact OD1-NH1 3.11Å; D567-R584 IonicContact OD1-NH2 2.95Å; D567-R584 PolarHBondContact OD1-NH2 3.05Å; D567-R584 IonicContact OD2-CZ 2.65Å; D567-R584 IonicContact OD2-NH1 3.88Å; D567-R584 PolarHBondContact OD2-NH1 3.31Å; D567-R584 IonicContact OD2-NH2 3.09Å; R582-R584 PolarHBondContact O-N 3.26Å; R584-L588 VanDerWaalsContact O-CB 3.32Å; R584-L588 WeakPolarHBondContact O-CB 3.36Å; R584-L588 PolarHBondContact O-N 2.72Å
585E80.5Confident68.2Low50 Ų5053.2 Ų53.223%0.23427%0.272CS..Hα-helixtrans-65.6-44.4176.3-68.7-179.8174.300110.1V554 R582 L588 C589V554-E585 VanDerWaalsContact CG1-CA 3.41Å; V554-E585 HydrophobicContact CG1-CB 3.5Å; V554-E585 VanDerWaalsContact CG1-CB 3.5Å; V554-E585 HydrophobicContact CG1-CG 3.98Å; V554-E585 WeakPolarHBondContact CG1-O 3.5Å; R582-E585 PolarHBondContact O-N 3.26Å; E585-L588 PolarHBondContact O-N 3.32Å; E585-C589 VanDerWaalsContact O-CB 3.25Å; E585-C589 WeakPolarHBondContact O-CB 3.35Å; E585-C589 PolarHBondContact O-N 3.28Å
586C81.9Confident69.8Low21 Ų2151.7 Ų51.714%0.14226%0.26CS..Hα-helixtrans-64.4-45.6178.1-61.40000112F275 L283 R582 W583 C589 L590F275-C586 HydrophobicContact CD1-CB 3.94Å; F275-C586 HydrophobicContact CE1-CB 3.49Å; F275-C586 VanDerWaalsContact CE1-CB 3.49Å; F275-C586 HydrophobicContact CZ-CB 4.22Å; L283-C586 HydrophobicContact CD2-CB 4.06Å; R582-C586 WeakPolarHBondContact O-CB 3.29Å; R582-C586 PolarHBondContact O-N 3.41Å; R582-C586 PolarHBondContact O-SG 3.18Å; W583-C586 PolarHBondContact O-N 3.21Å; C586-C589 WeakPolarHBondContact O-CB 3.39Å; C586-C589 PolarHBondContact O-N 2.79Å; C586-L590 WeakPolarHBondContact O-CG 3.39Å; C586-L590 PolarHBondContact O-N 2.98Å
587L87.6Confident71.6Confident0 Ų045 Ų450%023%0.234CC..Hα-helixtrans-62.8-45.1176.5-178.662.9000111.3L271 F275 C485 L489 L562 W583 C589 L590 L591L271-L587 HydrophobicContact CD1-CD2 3.98Å; L271-L587 HydrophobicContact CD2-CD2 4.15Å; F275-L587 HydrophobicContact CE2-CB 4.09Å; F275-L587 HydrophobicContact CE2-CD1 4.44Å; F275-L587 HydrophobicContact CZ-CB 3.96Å; F275-L587 HydrophobicContact CZ-CD1 4.4Å; C485-L587 HydrophobicContact CB-CD1 4.1Å; L489-L587 HydrophobicContact CD2-CD2 4.32Å; L562-L587 HydrophobicContact CD1-CB 4.2Å; L562-L587 HydrophobicContact CD1-CD2 3.92Å; L562-L587 HydrophobicContact CD1-CG 4.26Å; L562-L587 HydrophobicContact CD2-CD2 4.29Å; W583-L587 HydrophobicContact CE3-CB 4.4Å; W583-L587 HydrophobicContact CE3-CD2 4.24Å; W583-L587 HydrophobicContact CZ3-CD2 3.91Å; W583-L587 WeakPolarHBondContact O-CB 3.39Å; W583-L587 PolarHBondContact O-N 2.89Å; L587-C589 VanDerWaalsContact C-N 3.3Å; L587-C589 PolarHBondContact O-N 3.44Å; L587-L590 PolarHBondContact O-N 3.42Å; L587-L591 HydrophobicContact CD1-CD1 4.45Å; L587-L591 HydrophobicContact CD1-CG 4.48Å; L587-L591 HydrophobicContact CG-CD1 4.06Å; L587-L591 WeakPolarHBondContact O-CB 3.38Å; L587-L591 VanDerWaalsContact O-CG 3.22Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 2.89Å
588L86.8Confident73.5Confident0 Ų042.8 Ų42.80%022%0.219CC..Hα-helixtrans-64.7-37.1176-177.959.2000111.2V504 V554 F557 G558 L561 L562 R584 E585 L591 L592V504-L588 HydrophobicContact CG2-CD1 4.24Å; V554-L588 HydrophobicContact CG2-CG 4.41Å; F557-L588 HydrophobicContact CB-CD2 3.79Å; G558-L588 VanDerWaalsContact N-CD2 3.26Å; L561-L588 HydrophobicContact CD1-CD1 4.1Å; L561-L588 HydrophobicContact CD1-CD2 4.42Å; L562-L588 HydrophobicContact CD1-CB 4.48Å; R584-L588 VanDerWaalsContact O-CB 3.32Å; R584-L588 WeakPolarHBondContact O-CB 3.36Å; R584-L588 PolarHBondContact O-N 2.72Å; E585-L588 PolarHBondContact O-N 3.32Å; L588-L591 CarbonylContact O-C 3.5Å; L588-L591 PolarHBondContact O-N 3.42Å; L588-L592 HydrophobicContact CD1-CD1 4.2Å; L588-L592 HydrophobicContact CD1-CG 4.14Å; L588-L592 HydrophobicContact CG-CD1 3.97Å; L588-L592 HydrophobicContact CG-CG 4.36Å; L588-L592 WeakPolarHBondContact O-CB 3.26Å; L588-L592 WeakPolarHBondContact O-CG 3.18Å; L588-L592 PolarHBondContact O-N 3.05Å
589C83.9Confident75.7Confident10 Ų1036.8 Ų36.87%0.06818%0.183CC..Hα-helixtrans-64.4-47.2175.5-1680000111.7M287 V554 E585 C586 L587 L591 L592 C593M287-C589 HydrophobicContact CE-CB 3.72Å; M287-C589 WeakPolarHBondContact CE-SG 3.45Å; V554-C589 HydrophobicContact CG1-CB 4.45Å; V554-C589 HydrophobicContact CG2-CB 3.93Å; E585-C589 VanDerWaalsContact O-CB 3.25Å; E585-C589 WeakPolarHBondContact O-CB 3.35Å; E585-C589 PolarHBondContact O-N 3.28Å; C586-C589 WeakPolarHBondContact O-CB 3.39Å; C586-C589 PolarHBondContact O-N 2.79Å; L587-C589 VanDerWaalsContact C-N 3.3Å; L587-C589 PolarHBondContact O-N 3.44Å; C589-L591 VanDerWaalsContact C-N 3.31Å; C589-L591 PolarHBondContact O-N 2.72Å; C589-L592 PolarHBondContact O-N 3.11Å; C589-C593 WeakPolarHBondContact O-CB 3.12Å; C589-C593 PolarHBondContact O-N 2.89Å; C589-C593 PolarHBondContact O-SG 3.09Å
590L84.5Confident77.2Confident1 Ų132.7 Ų32.71%0.00515%0.154CC..Hα-helixtrans-58.1-44.6173.4-72.2174.3000111.1F275 T286 M287 L290 W473 L481 C586 L587 L592 C593 D594 L599F275-L590 HydrophobicContact CE1-CD1 4.1Å; F275-L590 HydrophobicContact CZ-CD1 3.95Å; T286-L590 HydrophobicContact CG2-CD2 4.19Å; M287-L590 HydrophobicContact CG-CD2 4.39Å; L290-L590 HydrophobicContact CD1-CD2 3.83Å; W473-L590 HydrophobicContact CZ3-CD2 4.45Å; L481-L590 HydrophobicContact CD2-CD1 4.18Å; C586-L590 WeakPolarHBondContact O-CG 3.39Å; C586-L590 PolarHBondContact O-N 2.98Å; L587-L590 PolarHBondContact O-N 3.42Å; L590-L592 VanDerWaalsContact C-N 3.3Å; L590-L592 PolarHBondContact O-N 3.35Å; L590-C593 PolarHBondContact O-N 3.17Å; L590-D594 VanDerWaalsContact O-CB 3.28Å; L590-D594 WeakPolarHBondContact O-CB 3.39Å; L590-D594 PolarHBondContact O-N 3Å; L590-D594 VanDerWaalsContact O-N 3.1Å; L590-L599 HydrophobicContact CB-CD1 3.84Å
591L86.6Confident78.3Confident0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-62.7-32.8174.4-74.6168.4000112.3L489 L500 V504 R508 L587 L588 C589 L599 L600L489-L591 HydrophobicContact CD1-CD2 4.15Å; L500-L591 HydrophobicContact CD1-CD1 4.14Å; L500-L591 HydrophobicContact CD2-CD1 3.91Å; L500-L591 HydrophobicContact CG-CD1 4.22Å; V504-L591 HydrophobicContact CG1-CB 4.26Å; V504-L591 VanDerWaalsContact CG1-O 3.28Å; V504-L591 WeakPolarHBondContact CG1-O 3.38Å; V504-L591 HydrophobicContact CG2-CB 4.05Å; V504-L591 HydrophobicContact CG2-CD1 4.32Å; R508-L591 PolarHBondContact NE-O 2.97Å; R508-L591 PolarHBondContact NH2-O 3.39Å; L587-L591 HydrophobicContact CD1-CD1 4.45Å; L587-L591 HydrophobicContact CD1-CG 4.48Å; L587-L591 HydrophobicContact CG-CD1 4.06Å; L587-L591 WeakPolarHBondContact O-CB 3.38Å; L587-L591 VanDerWaalsContact O-CG 3.22Å; L587-L591 WeakPolarHBondContact O-CG 3.35Å; L587-L591 PolarHBondContact O-N 2.89Å; L588-L591 CarbonylContact O-C 3.5Å; L588-L591 PolarHBondContact O-N 3.42Å; C589-L591 VanDerWaalsContact C-N 3.31Å; C589-L591 PolarHBondContact O-N 2.72Å; L591-L599 HydrophobicContact CD2-CB 3.7Å; L591-L599 HydrophobicContact CD2-CD1 4.04Å; L591-L599 HydrophobicContact CG-CD1 4.29Å; L591-L600 HydrophobicContact CD2-CD1 3.94Å; L591-L600 HydrophobicContact CD2-CD2 3.93Å; L591-L600 HydrophobicContact CD2-CG 3.67Å
592L85.2Confident79.1Confident2 Ų227 Ų271%0.0113%0.134CC..Hα-helixtrans-80.6-32.9178.2-69.7170.4000112.2V504 L507 R508 L511 L550 I553 V554 L588 C589 L590V504-L592 HydrophobicContact CG1-CD2 4.43Å; L507-L592 HydrophobicContact CB-CD2 3.56Å; L507-L592 HydrophobicContact CD1-CD2 4.38Å; R508-L592 WeakPolarHBondContact CD-O 3.31Å; R508-L592 HydrophobicContact CG-CD2 3.96Å; R508-L592 WeakPolarHBondContact CG-O 3.27Å; R508-L592 PolarHBondContact NE-O 3.06Å; L511-L592 HydrophobicContact CD1-CB 4.27Å; L511-L592 HydrophobicContact CD1-CD1 4.12Å; L511-L592 HydrophobicContact CD1-CD2 4.16Å; L511-L592 HydrophobicContact CD1-CG 4.41Å; L550-L592 HydrophobicContact CD1-CB 3.82Å; L550-L592 HydrophobicContact CD1-CD1 3.69Å; L550-L592 HydrophobicContact CD1-CG 4.41Å; I553-L592 HydrophobicContact CG2-CD1 3.87Å; V554-L592 HydrophobicContact CG2-CD1 3.89Å; L588-L592 HydrophobicContact CD1-CD1 4.2Å; L588-L592 HydrophobicContact CD1-CG 4.14Å; L588-L592 HydrophobicContact CG-CD1 3.97Å; L588-L592 HydrophobicContact CG-CG 4.36Å; L588-L592 WeakPolarHBondContact O-CB 3.26Å; L588-L592 WeakPolarHBondContact O-CG 3.18Å; L588-L592 PolarHBondContact O-N 3.05Å; C589-L592 PolarHBondContact O-N 3.11Å; L590-L592 VanDerWaalsContact C-N 3.3Å; L590-L592 PolarHBondContact O-N 3.35Å
593C78.7Confident79.4Confident2 Ų220.3 Ų20.31%0.01411%0.11CC..Hα-helixtrans-89.92.9-177.6-56.70000114.4L290 C589 L590 P595L290-C593 HydrophobicContact CB-CB 3.89Å; L290-C593 HydrophobicContact CD1-CB 4.28Å; C589-C593 WeakPolarHBondContact O-CB 3.12Å; C589-C593 PolarHBondContact O-N 2.89Å; C589-C593 PolarHBondContact O-SG 3.09Å; L590-C593 PolarHBondContact O-N 3.17Å; C593-P595 WeakPolarHBondContact O-CD 2.67Å
594D78.8Confident78.7Confident3 Ų325.3 Ų25.32%0.01614%0.137CC..  trans-9092.4176.6167.122.7000110.7R508 L590 E596 N597 F598 L599R508-D594 PolarHBondContact NH1-O 3.39Å; R508-D594 PolarHBondContact NH2-O 3Å; R508-D594 IonicContact NH2-OD2 2.77Å; L590-D594 VanDerWaalsContact O-CB 3.28Å; L590-D594 WeakPolarHBondContact O-CB 3.39Å; L590-D594 PolarHBondContact O-N 3Å; L590-D594 VanDerWaalsContact O-N 3.1Å; D594-E596 PolarHBondContact O-N 2.85Å; D594-E596 PolarHBondContact OD1-N 3.12Å; D594-N597 PolarHBondContact O-N 3.42Å; D594-N597 PolarHBondContact OD1-N 3.04Å; D594-N597 VanDerWaalsContact OD2-CA 3.3Å; D594-N597 WeakPolarHBondContact OD2-CA 3.49Å; D594-F598 VanDerWaalsContact CG-N 3.3Å; D594-F598 PolarHBondContact OD1-N 3.39Å; D594-F598 PolarHBondContact OD2-N 2.84Å; D594-L599 HydrophobicContact CB-CD1 4.19Å; D594-L599 PolarHBondContact OD2-N 3.34Å
595P67.5Low77.8Confident73 Ų7326.4 Ų26.447%0.47415%0.151SC..THydrogen-bonded Turntrans-63.7-30.1-175.326.1-35.4000112.9C593 N597C593-P595 WeakPolarHBondContact O-CD 2.67Å; P595-N597 VanDerWaalsContact C-N 3.33Å; P595-N597 PolarHBondContact O-N 3.37Å
596E67.5Low77.4Confident116 Ų11624 Ų2454%0.54214%0.14SC..THydrogen-bonded Turntrans-86.3-1.7-173.2-63.5-58.5144.500113.4D594 F598D594-E596 PolarHBondContact O-N 2.85Å; D594-E596 PolarHBondContact OD1-N 3.12Å; E596-F598 PolarHBondContact O-N 3.27Å
597N74.3Confident76.6Confident56 Ų5625.1 Ų25.130%0.29914%0.143SC..  trans55.824.3-169.1-66.3-71.5000113.7R508 D594 P595 L599 L600 T601R508-N597 VanDerWaalsContact NH1-CG 3.26Å; R508-N597 PolarHBondContact NH1-OD1 3.29Å; D594-N597 PolarHBondContact O-N 3.42Å; D594-N597 PolarHBondContact OD1-N 3.04Å; D594-N597 VanDerWaalsContact OD2-CA 3.3Å; D594-N597 WeakPolarHBondContact OD2-CA 3.49Å; P595-N597 VanDerWaalsContact C-N 3.33Å; P595-N597 PolarHBondContact O-N 3.37Å; N597-L599 VanDerWaalsContact C-N 3.28Å; N597-L599 PolarHBondContact O-N 3.22Å; N597-L600 CarbonylContact O-C 3.58Å; N597-L600 PolarHBondContact O-N 2.78Å; N597-T601 HydrophobicContact CB-CG2 4.28Å; N597-T601 WeakPolarHBondContact O-CG2 3.36Å; N597-T601 PolarHBondContact O-N 3.5Å; N597-T601 PolarHBondContact O-OG1 3.19Å
598F77Confident75.4Confident6 Ų628.2 Ų28.23%0.02617%0.165CC..G310 helixtrans-47.9-49.6178.3178.8-100.7000112.1H471 W473 Y479 A482 Q486 D594 E596 L600 T601H471-F598 HydrophobicContact CB-CD2 4.1Å; H471-F598 HydrophobicContact CB-CE2 4.5Å; H471-F598 AromaticContact CD2-CD2 3.51Å; H471-F598 AromaticContact CD2-CE2 3.75Å; H471-F598 AromaticContact CG-CD2 3.61Å; H471-F598 AromaticContact ND1-CD2 3.99Å; H471-F598 AromaticContact NE2-CD2 3.85Å; W473-F598 AromaticContact CE2-CD1 3.89Å; W473-F598 HydrophobicContact CZ2-CB 4.44Å; W473-F598 AromaticContact CZ2-CD1 3.91Å; W473-F598 HydrophobicContact CZ2-CD1 3.91Å; W473-F598 AromaticContact NE1-CD1 3.45Å; W473-F598 AromaticContact NE1-CE1 3.96Å; W473-F598 AromaticContact NE1-CG 3.62Å; Y479-F598 HydrophobicContact CD2-CZ 4.41Å; Y479-F598 HydrophobicContact CE2-CE2 4.17Å; Y479-F598 AromaticContact CE2-CZ 3.76Å; Y479-F598 HydrophobicContact CE2-CZ 3.76Å; A482-F598 HydrophobicContact CB-CD1 4.07Å; A482-F598 HydrophobicContact CB-CE1 3.83Å; Q486-F598 PolarHBondContact NE2-O 3.03Å; D594-F598 VanDerWaalsContact CG-N 3.3Å; D594-F598 PolarHBondContact OD1-N 3.39Å; D594-F598 PolarHBondContact OD2-N 2.84Å; E596-F598 PolarHBondContact O-N 3.27Å; F598-L600 PolarHBondContact O-N 3.48Å; F598-L600 VanDerWaalsContact O-N 3.14Å; F598-T601 WeakPolarHBondContact CA-OG1 3.24Å; F598-T601 PolarHBondContact O-N 3.49Å; F598-T601 VanDerWaalsContact O-N 3.17Å; F598-T601 PolarHBondContact O-OG1 2.82Å
599L81.3Confident74.3Confident0 Ų030.3 Ų30.30%018%0.179CC..G310 helixtrans-63.3-24-178.3-70.8167.2000114.1W473 A482 C485 L489 L590 L591 D594 N597W473-L599 HydrophobicContact CH2-CD1 4.5Å; A482-L599 HydrophobicContact CB-CD2 4.14Å; A482-L599 WeakPolarHBondContact O-CD2 3.22Å; C485-L599 HydrophobicContact CB-CD2 3.83Å; L489-L599 HydrophobicContact CD1-CB 4.39Å; L489-L599 WeakPolarHBondContact CD1-O 3.37Å; L590-L599 HydrophobicContact CB-CD1 3.84Å; L591-L599 HydrophobicContact CD2-CB 3.7Å; L591-L599 HydrophobicContact CD2-CD1 4.04Å; L591-L599 HydrophobicContact CG-CD1 4.29Å; D594-L599 HydrophobicContact CB-CD1 4.19Å; D594-L599 PolarHBondContact OD2-N 3.34Å; N597-L599 VanDerWaalsContact C-N 3.28Å; N597-L599 PolarHBondContact O-N 3.22Å
600L78.7Confident73.3Confident0 Ų030.5 Ų30.50%018%0.179CC..G310 helixtrans-112.729.6-178.7-63.1170.6000111.9L198 L489 Y497 L500 K501 V504 L591 N597 F598L198-L600 WeakPolarHBondContact CD2-O 3.49Å; L489-L600 HydrophobicContact CD1-CD2 4.36Å; Y497-L600 HydrophobicContact CE2-CD2 4.18Å; Y497-L600 WeakPolarHBondContact OH-CA 3.48Å; Y497-L600 PolarHBondContact OH-O 3.23Å; L500-L600 HydrophobicContact CD2-CD2 4.33Å; K501-L600 HydrophobicContact CB-CD1 3.94Å; K501-L600 HydrophobicContact CD-CB 3.95Å; K501-L600 HydrophobicContact CD-CD1 4.35Å; K501-L600 HydrophobicContact CG-CD1 4.28Å; K501-L600 PolarHBondContact NZ-O 3.04Å; V504-L600 HydrophobicContact CB-CD1 4.23Å; V504-L600 HydrophobicContact CG1-CD1 4.14Å; L591-L600 HydrophobicContact CD2-CD1 3.94Å; L591-L600 HydrophobicContact CD2-CD2 3.93Å; L591-L600 HydrophobicContact CD2-CG 3.67Å; N597-L600 CarbonylContact O-C 3.58Å; N597-L600 PolarHBondContact O-N 2.78Å; F598-L600 PolarHBondContact O-N 3.48Å; F598-L600 VanDerWaalsContact O-N 3.14Å
601T73.2Confident72.2Confident43 Ų4337.2 Ų37.226%0.26420%0.204SC..SBendtrans-128.4167.2173.5570000110.6Q486 N597 F598Q486-T601 WeakPolarHBondContact CG-O 3.17Å; Q486-T601 PolarHBondContact NE2-O 2.85Å; N597-T601 HydrophobicContact CB-CG2 4.28Å; N597-T601 WeakPolarHBondContact O-CG2 3.36Å; N597-T601 PolarHBondContact O-N 3.5Å; N597-T601 PolarHBondContact O-OG1 3.19Å; F598-T601 WeakPolarHBondContact CA-OG1 3.24Å; F598-T601 PolarHBondContact O-N 3.49Å; F598-T601 VanDerWaalsContact O-N 3.17Å; F598-T601 PolarHBondContact O-OG1 2.82Å
602L73.4Confident70.7Confident20 Ų2039.9 Ų39.911%0.10522%0.223CC..  trans-82.9133.7179.5-173.669000109.5W141 L198 L490 N604 L606 Q607W141-L602 HydrophobicContact CH2-CD1 4.2Å; W141-L602 HydrophobicContact CH2-CD2 4.41Å; W141-L602 HydrophobicContact CZ3-CD1 3.99Å; L198-L602 HydrophobicContact CD1-CB 3.97Å; L490-L602 HydrophobicContact CD1-CD1 4.16Å; L490-L602 HydrophobicContact CD2-CD1 4.41Å; L602-N604 PolarHBondContact O-N 2.88Å; L602-L606 HydrophobicContact CD1-CD2 3.94Å; L602-Q607 HydrophobicContact CD2-CB 3.73Å; L602-Q607 HydrophobicContact CD2-CG 3.89Å
603P74.2Confident69.2Low8 Ų842.6 Ų42.65%0.05224%0.24CC..  trans-61.4123.8173.6-15.624.8000110.5L483 Q486 L487 G605 L606 Q607L483-P603 HydrophobicContact CD1-CB 4.25Å; L483-P603 HydrophobicContact CD1-CG 4.3Å; Q486-P603 HydrophobicContact CG-CG 4.14Å; L487-P603 HydrophobicContact CD2-CG 4.09Å; P603-G605 PolarHBondContact O-N 3.46Å; P603-L606 HydrophobicContact CB-CB 4.15Å; P603-L606 HydrophobicContact CG-CB 4.38Å; P603-L606 WeakPolarHBondContact O-CB 3.24Å; P603-L606 PolarHBondContact O-N 3.46Å; P603-Q607 PolarHBondContact O-N 3.41Å
604N67.5Low67.9Low111 Ų11144.9 Ų44.959%0.59425%0.252SS*.Hα-helixtrans-53.3-33.3-178.4-67.7-30.1000113L602 L606 S608L602-N604 PolarHBondContact O-N 2.88Å; N604-L606 VanDerWaalsContact C-N 3.33Å; N604-L606 PolarHBondContact O-N 2.83Å; N604-S608 PolarHBondContact O-N 2.88Å; N604-S608 PolarHBondContact O-OG 3.17Å
605G65.6Low66.3Low32 Ų3249.8 Ų49.833%0.3328%0.278SS..Hα-helixtrans-68.8-28.1176.200000113.8R148 P603 S608 C609R148-G605 PolarHBondContact NH1-O 2.82Å; R148-G605 VanDerWaalsContact NH2-C 3.31Å; R148-G605 PolarHBondContact NH2-O 3.2Å; P603-G605 PolarHBondContact O-N 3.46Å; G605-S608 VanDerWaalsContact CA-OG 3.31Å; G605-S608 WeakPolarHBondContact CA-OG 3.36Å; G605-S608 PolarHBondContact O-OG 3.37Å; G605-C609 WeakPolarHBondContact O-CB 3.2Å; G605-C609 PolarHBondContact O-N 2.84Å; G605-C609 VanDerWaalsContact O-N 3.17Å; G605-C609 PolarHBondContact O-SG 3.12Å
606L70.6Confident65.3Low0 Ų052.9 Ų52.90%029%0.291CS..Hα-helixtrans-77.5-41.4-175-164.7136.7000110.4W141 I145 R148 L487 L602 P603 N604 L610W141-L606 HydrophobicContact CE3-CD2 3.63Å; W141-L606 HydrophobicContact CH2-CD2 3.52Å; W141-L606 HydrophobicContact CZ2-CD2 4.5Å; W141-L606 HydrophobicContact CZ3-CD2 3.02Å; I145-L606 HydrophobicContact CG1-CD1 3.64Å; R148-L606 VanDerWaalsContact CZ-CA 3.46Å; L487-L606 HydrophobicContact CD2-CD1 3.79Å; L602-L606 HydrophobicContact CD1-CD2 3.94Å; P603-L606 HydrophobicContact CB-CB 4.15Å; P603-L606 HydrophobicContact CG-CB 4.38Å; P603-L606 WeakPolarHBondContact O-CB 3.24Å; P603-L606 PolarHBondContact O-N 3.46Å; N604-L606 VanDerWaalsContact C-N 3.33Å; N604-L606 PolarHBondContact O-N 2.83Å; L606-L610 HydrophobicContact CD2-CD1 3.49Å; L606-L610 VanDerWaalsContact CD2-CD1 3.49Å; L606-L610 HydrophobicContact CG-CD1 4.07Å; L606-L610 WeakPolarHBondContact O-CB 3.46Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.29Å; L606-L610 PolarHBondContact O-N 3.4Å; L606-L610 VanDerWaalsContact O-N 3.09Å
607Q66.4Low64.3Low44 Ų4453.4 Ų53.421%0.20630%0.297CS..Hα-helixtrans-64.4-42.1175.4-156.4-179.521.100112.6E199 L602 P603 L610 R611E199-Q607 PolarHBondContact OE1-NE2 3.12Å; L602-Q607 HydrophobicContact CD2-CB 3.73Å; L602-Q607 HydrophobicContact CD2-CG 3.89Å; P603-Q607 PolarHBondContact O-N 3.41Å; Q607-L610 PolarHBondContact O-N 3.04Å; Q607-R611 WeakPolarHBondContact O-CB 3.41Å; Q607-R611 VanDerWaalsContact O-CG 3.32Å; Q607-R611 WeakPolarHBondContact O-CG 3.27Å; Q607-R611 PolarHBondContact O-N 3.36Å
608S63Low62.6Low65 Ų6553 Ų5346%0.45530%0.295SS..Hα-helixtrans-66.2-44.8178.545.40000112.2N604 G605 L610 R611 S612N604-S608 PolarHBondContact O-N 2.88Å; N604-S608 PolarHBondContact O-OG 3.17Å; G605-S608 VanDerWaalsContact CA-OG 3.31Å; G605-S608 WeakPolarHBondContact CA-OG 3.36Å; G605-S608 PolarHBondContact O-OG 3.37Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 3.27Å; S608-R611 PolarHBondContact O-N 3Å; S608-S612 PolarHBondContact O-N 3.4Å
609C62.2Low60.9Low45 Ų4560.4 Ų60.430%0.30434%0.335SS..Hα-helixtrans-59.4-44.7175.6-740000111.7R148 G605 S612 V613R148-C609 VanDerWaalsContact NH2-CB 3.35Å; R148-C609 PolarHBondContact NH2-SG 3.04Å; G605-C609 WeakPolarHBondContact O-CB 3.2Å; G605-C609 PolarHBondContact O-N 2.84Å; G605-C609 VanDerWaalsContact O-N 3.17Å; G605-C609 PolarHBondContact O-SG 3.12Å; C609-S612 PolarHBondContact O-N 3.08Å; C609-S612 VanDerWaalsContact O-N 3.16Å; C609-S612 PolarHBondContact O-OG 2.93Å; C609-V613 WeakPolarHBondContact O-CG2 3.27Å; C609-V613 PolarHBondContact O-N 3.3Å
610L64Low58.8Low13 Ų1366.3 Ų66.37%0.06837%0.366CS..Hα-helixtrans-74.8-29.9-177.7-64.9169.1000112.8W141 E144 L606 Q607 S608 N614W141-L610 HydrophobicContact CD2-CD1 3.45Å; W141-L610 VanDerWaalsContact CD2-CD1 3.45Å; W141-L610 HydrophobicContact CE3-CD1 3.76Å; W141-L610 HydrophobicContact CG-CD1 4.03Å; W141-L610 HydrophobicContact CH2-CD1 3.63Å; W141-L610 HydrophobicContact CZ2-CB 4.43Å; W141-L610 HydrophobicContact CZ2-CD1 3.37Å; W141-L610 HydrophobicContact CZ2-CG 4.5Å; W141-L610 HydrophobicContact CZ3-CD1 3.84Å; E144-L610 HydrophobicContact CB-CD2 4.28Å; E144-L610 HydrophobicContact CG-CD2 4.32Å; E144-L610 HydrophobicContact CG-CG 4.5Å; L606-L610 HydrophobicContact CD2-CD1 3.49Å; L606-L610 VanDerWaalsContact CD2-CD1 3.49Å; L606-L610 HydrophobicContact CG-CD1 4.07Å; L606-L610 WeakPolarHBondContact O-CB 3.46Å; L606-L610 VanDerWaalsContact O-CG 3.3Å; L606-L610 WeakPolarHBondContact O-CG 3.29Å; L606-L610 PolarHBondContact O-N 3.4Å; L606-L610 VanDerWaalsContact O-N 3.09Å; Q607-L610 PolarHBondContact O-N 3.04Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 3.27Å; L610-N614 WeakPolarHBondContact O-CB 3.47Å; L610-N614 PolarHBondContact O-N 3.02Å; L610-N614 VanDerWaalsContact O-N 3.08Å; L610-N614 PolarHBondContact O-ND2 3.42Å
611R61.4Low57Low142 Ų14272.5 Ų72.554%0.53641%0.405SS..Hα-helixtrans-64.8-38.3166.4-75.7-175.9-159.4172.16.8112Q607 S608 N614 N615Q607-R611 WeakPolarHBondContact O-CB 3.41Å; Q607-R611 VanDerWaalsContact O-CG 3.32Å; Q607-R611 WeakPolarHBondContact O-CG 3.27Å; Q607-R611 PolarHBondContact O-N 3.36Å; S608-R611 PolarHBondContact O-N 3Å; R611-N614 PolarHBondContact O-N 3.29Å; R611-N615 WeakPolarHBondContact O-CB 3.38Å; R611-N615 PolarHBondContact O-N 2.97Å
612S54.6Low55.5Low57 Ų5772.6 Ų72.640%0.39941%0.405SS..Hα-helixtrans-67.2-40.9178.482.60000112.3S608 C609 N614 N615 N616S608-S612 PolarHBondContact O-N 3.4Å; C609-S612 PolarHBondContact O-N 3.08Å; C609-S612 VanDerWaalsContact O-N 3.16Å; C609-S612 PolarHBondContact O-OG 2.93Å; S612-N614 VanDerWaalsContact C-N 3.32Å; S612-N614 PolarHBondContact O-N 3.11Å; S612-N615 PolarHBondContact O-N 2.73Å; S612-N616 PolarHBondContact O-N 2.93Å
613V53.3Low53.9Low58 Ų5875.5 Ų75.535%0.35243%0.427SS..Hα-helixtrans-65.6-38.1176.4175.10000110.6L140 C609L140-V613 HydrophobicContact CD1-CG1 4.32Å; C609-V613 WeakPolarHBondContact O-CG2 3.27Å; C609-V613 PolarHBondContact O-N 3.3Å
614N50.6Low52.2Low50 Ų5080.1 Ų80.127%0.26745%0.451SS..Hα-helixtrans-67.4-40.1173.6-76.7-20.7000112.5L610 R611 S612 N617 N618L610-N614 WeakPolarHBondContact O-CB 3.47Å; L610-N614 PolarHBondContact O-N 3.02Å; L610-N614 VanDerWaalsContact O-N 3.08Å; L610-N614 PolarHBondContact O-ND2 3.42Å; R611-N614 PolarHBondContact O-N 3.29Å; S612-N614 VanDerWaalsContact C-N 3.32Å; S612-N614 PolarHBondContact O-N 3.11Å; N614-N617 PolarHBondContact O-N 2.9Å; N614-N618 PolarHBondContact O-ND2 2.96Å; N614-N618 PolarHBondContact O-OD1 3.39Å
615N46.9Very low50.9Low106 Ų10678.7 Ų78.757%0.56744%0.444SS*.Hα-helixtrans-70.8-30.8-179.5-77.1-11.8000113.4R611 S612 N617 N618R611-N615 WeakPolarHBondContact O-CB 3.38Å; R611-N615 PolarHBondContact O-N 2.97Å; S612-N615 PolarHBondContact O-N 2.73Å; N615-N617 PolarHBondContact O-N 2.89Å; N615-N618 WeakPolarHBondContact O-CB 3.46Å; N615-N618 PolarHBondContact O-N 3.46Å
616N46.6Very low49.8Very low139 Ų13979.7 Ų79.774%0.74344%0.441SS*.Hα-helixtrans-71.8-17.8177.5-76.7-8.5000113.6S612S612-N616 PolarHBondContact O-N 2.93Å
617N46.5Very low48.5Very low126 Ų12686.2 Ų86.267%0.67447%0.469SS*.THydrogen-bonded Turntrans-93.60.7173.2-77.5-13.8000113.6N614 N615 N619N614-N617 PolarHBondContact O-N 2.9Å; N615-N617 PolarHBondContact O-N 2.89Å; N617-N619 PolarHBondContact O-N 3.45Å
618N38.6Very low47.2Very low49 Ų4987 Ų8726%0.26248%0.477SS..THydrogen-bonded Turntrans-92.522.1-168.5-76-6.5000116N614 N615 N620 T622N614-N618 PolarHBondContact O-ND2 2.96Å; N614-N618 PolarHBondContact O-OD1 3.39Å; N615-N618 WeakPolarHBondContact O-CB 3.46Å; N615-N618 PolarHBondContact O-N 3.46Å; N618-N620 PolarHBondContact O-N 3.33Å; N618-T622 WeakPolarHBondContact OD1-CB 3.19Å; N618-T622 PolarHBondContact OD1-OG1 2.88Å
619N39.9Very low46Very low161 Ų16185.8 Ų85.886%0.86146%0.464SS*.THydrogen-bonded Turntrans-70.50.3162.8-84.9-7.3000113.2N617N617-N619 PolarHBondContact O-N 3.45Å
620N37Very low45Very low123 Ų12387.2 Ų87.266%0.65847%0.466SS*.SBendtrans-137.4100.7175.1-73.4-32.3000111.9N618 T622N618-N620 PolarHBondContact O-N 3.33Å; N620-T622 VanDerWaalsContact C-N 3.31Å; N620-T622 PolarHBondContact O-N 2.99Å; N620-T622 PolarHBondContact O-OG1 3.43Å; N620-T622 VanDerWaalsContact O-OG1 3.06Å
621T41.7Very low43.6Very low131 Ų13191.6 Ų91.680%0.80449%0.487SS*.SBendtrans58.37.2148.9510000121.1
622T41.4Very low42.5Very low44 Ų4489.3 Ų89.327%0.2749%0.485SS..THydrogen-bonded Turntrans-93.71.1-164.728.10000117N618 N620 D624 N625N618-T622 WeakPolarHBondContact OD1-CB 3.19Å; N618-T622 PolarHBondContact OD1-OG1 2.88Å; N620-T622 VanDerWaalsContact C-N 3.31Å; N620-T622 PolarHBondContact O-N 2.99Å; N620-T622 PolarHBondContact O-OG1 3.43Å; N620-T622 VanDerWaalsContact O-OG1 3.06Å; T622-D624 VanDerWaalsContact C-N 3.28Å; T622-D624 PolarHBondContact O-N 3Å; T622-N625 PolarHBondContact O-N 2.89Å
623S40Very low41.5Very low81 Ų8187.1 Ų87.157%0.56647%0.469SS*.Hα-helixtrans-66.8-28.8176.863.20000113.5
624D37.9Very low40.6Very low106 Ų10687 Ų8757%0.56747%0.466SS*.Hα-helixtrans-80-25.3178.9-70.6-19.3000112.2T622 K627 T628T622-D624 VanDerWaalsContact C-N 3.28Å; T622-D624 PolarHBondContact O-N 3Å; D624-K627 PolarHBondContact O-N 3.07Å; D624-T628 PolarHBondContact O-N 3.09Å; D624-T628 PolarHBondContact O-OG1 3.05Å
625N40.6Very low39.8Very low81 Ų8188.6 Ų88.643%0.43347%0.472SS..Hα-helixtrans-70.7-31.1176.6-76-5.3000112.7T622 T628 E629T622-N625 PolarHBondContact O-N 2.89Å; N625-T628 VanDerWaalsContact CA-OG1 3.25Å; N625-T628 WeakPolarHBondContact CA-OG1 3.12Å; N625-T628 PolarHBondContact O-OG1 3.35Å; N625-E629 VanDerWaalsContact O-CB 3.23Å; N625-E629 WeakPolarHBondContact O-CB 3.24Å; N625-E629 WeakPolarHBondContact O-CG 3.04Å; N625-E629 PolarHBondContact O-N 3.07Å
626I43Very low39.2Very low52 Ų5285.6 Ų85.627%0.26746%0.455SS..Hα-helixtrans-69.3-38.2176.5-62.5172.9000110.5Q630I626-Q630 WeakPolarHBondContact O-CB 3.32Å; I626-Q630 WeakPolarHBondContact O-CG 3.48Å; I626-Q630 PolarHBondContact O-N 3.1Å
627K42Very low38.6Very low137 Ų13781.2 Ų81.260%0.59643%0.43SS*.Hα-helixtrans-68.7-43.9175.3-75.8179.8-180170.70112D624 Q630 E631D624-K627 PolarHBondContact O-N 3.07Å; K627-Q630 PolarHBondContact O-N 2.93Å; K627-E631 WeakPolarHBondContact O-CB 3.45Å; K627-E631 VanDerWaalsContact O-CG 3.28Å; K627-E631 WeakPolarHBondContact O-CG 3.27Å; K627-E631 PolarHBondContact O-N 2.92Å
628T40.4Very low38Very low60 Ų6077.5 Ų77.537%0.36841%0.409SS..Hα-helixtrans-68.7-33.317730.60000112.6D624 N625 E631 N632D624-T628 PolarHBondContact O-N 3.09Å; D624-T628 PolarHBondContact O-OG1 3.05Å; N625-T628 VanDerWaalsContact CA-OG1 3.25Å; N625-T628 WeakPolarHBondContact CA-OG1 3.12Å; N625-T628 PolarHBondContact O-OG1 3.35Å; T628-E631 PolarHBondContact O-N 3.12Å; T628-N632 WeakPolarHBondContact O-CB 3.43Å; T628-N632 PolarHBondContact O-N 3.16Å; T628-N632 PolarHBondContact O-ND2 3.23Å
629E37.5Very low37.6Very low41 Ų4181 Ų8119%0.19243%0.427CS..Hα-helixtrans-71.3-39.2172.3-76.3175.5-159.900112.6K137 Y192 N625 E631 N632 I633K137-E629 WeakPolarHBondContact CD-OE2 3.33Å; K137-E629 IonicContact NZ-OE1 2.73Å; K137-E629 PolarHBondContact NZ-OE1 3.43Å; K137-E629 IonicContact NZ-OE2 2.57Å; K137-E629 PolarHBondContact NZ-OE2 3.31Å; Y192-E629 PolarHBondContact OH-OE2 2.99Å; N625-E629 VanDerWaalsContact O-CB 3.23Å; N625-E629 WeakPolarHBondContact O-CB 3.24Å; N625-E629 WeakPolarHBondContact O-CG 3.04Å; N625-E629 PolarHBondContact O-N 3.07Å; E629-E631 VanDerWaalsContact C-N 3.31Å; E629-N632 PolarHBondContact O-N 3.48Å; E629-I633 WeakPolarHBondContact O-CD1 3.07Å; E629-I633 WeakPolarHBondContact O-CG1 2.99Å; E629-I633 PolarHBondContact O-N 3.47Å
630Q40.1Very low37.4Very low74 Ų7477.1 Ų77.135%0.34641%0.405SS..Hα-helixtrans-61.4-40.5169.5-76.8175-16.100111I626 K627 I633 L634I626-Q630 WeakPolarHBondContact O-CB 3.32Å; I626-Q630 WeakPolarHBondContact O-CG 3.48Å; I626-Q630 PolarHBondContact O-N 3.1Å; K627-Q630 PolarHBondContact O-N 2.93Å; Q630-I633 PolarHBondContact O-N 3.01Å; Q630-L634 WeakPolarHBondContact O-CB 3.27Å; Q630-L634 WeakPolarHBondContact O-CD1 3.33Å; Q630-L634 WeakPolarHBondContact O-CG 3.3Å; Q630-L634 PolarHBondContact O-N 2.89Å
631E36.1Very low37Very low106 Ų10674.1 Ų74.150%0.49540%0.404SS..Hα-helixtrans-66-37.6173.6-76.9174.316700112.6K627 T628 E629 L634 H635K627-E631 WeakPolarHBondContact O-CB 3.45Å; K627-E631 VanDerWaalsContact O-CG 3.28Å; K627-E631 WeakPolarHBondContact O-CG 3.27Å; K627-E631 PolarHBondContact O-N 2.92Å; T628-E631 PolarHBondContact O-N 3.12Å; E629-E631 VanDerWaalsContact C-N 3.31Å; E631-L634 CarbonylContact O-C 3.57Å; E631-L634 WeakPolarHBondContact O-CB 3.25Å; E631-L634 PolarHBondContact O-N 3.1Å; E631-H635 PolarHBondContact O-CD2 2.76Å; E631-H635 PolarHBondContact O-N 3.15Å
632N36.8Very low36.5Very low94 Ų9470.5 Ų70.550%0.50338%0.379SS..Hα-helixtrans-70.6-32.6176.2-72.7-22.7000112.3T628 E629 H635 I636T628-N632 WeakPolarHBondContact O-CB 3.43Å; T628-N632 PolarHBondContact O-N 3.16Å; T628-N632 PolarHBondContact O-ND2 3.23Å; E629-N632 PolarHBondContact O-N 3.48Å; N632-H635 CarbonylContact O-C 3.52Å; N632-H635 WeakPolarHBondContact O-CA 3.36Å; N632-H635 WeakPolarHBondContact O-CB 3.34Å; N632-H635 PolarHBondContact O-N 3.18Å; N632-I636 PolarHBondContact O-N 3.17Å
633I35.1Very low35.9Very low10 Ų1074.6 Ų74.65%0.05140%0.399CS..Hα-helixtrans-74.8-35.9173.4-65.3160.3000110.3Y192 I196 E629 Q630 H635 I636 E637Y192-I633 HydrophobicContact CD1-CD1 4.23Å; Y192-I633 HydrophobicContact CE1-CD1 3.44Å; Y192-I633 VanDerWaalsContact CE1-CD1 3.44Å; I196-I633 HydrophobicContact CD1-CD1 3.4Å; I196-I633 HydrophobicContact CG2-CG2 4.11Å; E629-I633 WeakPolarHBondContact O-CD1 3.07Å; E629-I633 WeakPolarHBondContact O-CG1 2.99Å; E629-I633 PolarHBondContact O-N 3.47Å; Q630-I633 PolarHBondContact O-N 3.01Å; I633-H635 PolarHBondContact O-N 3.16Å; I633-I636 WeakPolarHBondContact O-CB 3.35Å; I633-I636 PolarHBondContact O-N 3.47Å; I633-E637 PolarHBondContact O-N 3.2Å; I633-E637 VanDerWaalsContact O-N 3.1Å
634L33.5Very low35.3Very low56 Ų5673.4 Ų73.429%0.29340%0.4SS..Hα-helixtrans-61-29165.8-70.8162.2000111.7Q630 E631 E637 E638Q630-L634 WeakPolarHBondContact O-CB 3.27Å; Q630-L634 WeakPolarHBondContact O-CD1 3.33Å; Q630-L634 WeakPolarHBondContact O-CG 3.3Å; Q630-L634 PolarHBondContact O-N 2.89Å; E631-L634 CarbonylContact O-C 3.57Å; E631-L634 WeakPolarHBondContact O-CB 3.25Å; E631-L634 PolarHBondContact O-N 3.1Å; L634-E637 WeakPolarHBondContact CD2-OE2 3.36Å; L634-E637 WeakPolarHBondContact O-CB 3.3Å; L634-E637 PolarHBondContact O-N 3.37Å; L634-E638 PolarHBondContact O-N 3.08Å
635H34Very low34.9Very low84 Ų8475 Ų7539%0.38940%0.402SS..Hα-helixtrans-74.8-26.7170.9-81-64.9000113.2E631 N632 I633 E637 E638 L639E631-H635 PolarHBondContact O-CD2 2.76Å; E631-H635 PolarHBondContact O-N 3.15Å; N632-H635 CarbonylContact O-C 3.52Å; N632-H635 WeakPolarHBondContact O-CA 3.36Å; N632-H635 WeakPolarHBondContact O-CB 3.34Å; N632-H635 PolarHBondContact O-N 3.18Å; I633-H635 PolarHBondContact O-N 3.16Å; H635-E637 VanDerWaalsContact C-N 3.31Å; H635-E638 IonicContact CE1-OE2 3.27Å; H635-E638 PolarHBondContact CE1-OE2 2.82Å; H635-E638 VanDerWaalsContact CE1-OE2 3.27Å; H635-E638 IonicContact CG-OE2 3.78Å; H635-E638 IonicContact ND1-OE2 2.68Å; H635-E638 PolarHBondContact ND1-OE2 3.23Å; H635-E638 WeakPolarHBondContact O-CB 3.45Å; H635-E638 PolarHBondContact O-N 2.95Å; H635-L639 PolarHBondContact O-N 3.2Å
636I34.2Very low34.3Very low42 Ų4277.7 Ų77.722%0.21541%0.41CS..Hα-helixtrans-69.9-32.4169.8-63.9169000110.3L133 N632 I633 E638 L639 I640L133-I636 HydrophobicContact CD1-CD1 4.34Å; N632-I636 PolarHBondContact O-N 3.17Å; I633-I636 WeakPolarHBondContact O-CB 3.35Å; I633-I636 PolarHBondContact O-N 3.47Å; I636-E638 VanDerWaalsContact C-N 3.3Å; I636-E638 PolarHBondContact O-N 3.23Å; I636-L639 PolarHBondContact O-N 3.04Å; I636-I640 WeakPolarHBondContact O-CG1 3.31Å; I636-I640 PolarHBondContact O-N 2.96Å
637E34.2Very low33.5Very low48 Ų4879.4 Ų79.422%0.22443%0.427CS..Hα-helixtrans-61.6-38.6168.5-61.3-177.9166.400111.4I633 L634 H635 L639 I640 L642I633-E637 PolarHBondContact O-N 3.2Å; I633-E637 VanDerWaalsContact O-N 3.1Å; L634-E637 WeakPolarHBondContact CD2-OE2 3.36Å; L634-E637 WeakPolarHBondContact O-CB 3.3Å; L634-E637 PolarHBondContact O-N 3.37Å; H635-E637 VanDerWaalsContact C-N 3.31Å; E637-L639 PolarHBondContact O-N 3.19Å; E637-I640 PolarHBondContact O-N 2.81Å; E637-L642 WeakPolarHBondContact O-CB 3.35Å
638E34.2Very low32.9Very low48 Ų4880.8 Ų80.822%0.22444%0.435CS..Hα-helixtrans-65.7-31.6172.7-86.9166.5-167.800113.2L634 H635 I636 I640 G641 L642 D643 K646L634-E638 PolarHBondContact O-N 3.08Å; H635-E638 IonicContact CE1-OE2 3.27Å; H635-E638 PolarHBondContact CE1-OE2 2.82Å; H635-E638 VanDerWaalsContact CE1-OE2 3.27Å; H635-E638 IonicContact CG-OE2 3.78Å; H635-E638 IonicContact ND1-OE2 2.68Å; H635-E638 PolarHBondContact ND1-OE2 3.23Å; H635-E638 WeakPolarHBondContact O-CB 3.45Å; H635-E638 PolarHBondContact O-N 2.95Å; I636-E638 VanDerWaalsContact C-N 3.3Å; I636-E638 PolarHBondContact O-N 3.23Å; E638-I640 PolarHBondContact O-N 3.28Å; E638-G641 PolarHBondContact O-N 2.84Å; E638-L642 WeakPolarHBondContact CA-O 3.26Å; E638-L642 VanDerWaalsContact CG-O 3.31Å; E638-L642 WeakPolarHBondContact CG-O 3.2Å; E638-D643 HydrophobicContact CG-CB 4.46Å; E638-K646 IonicContact OE1-NZ 2.8Å; E638-K646 PolarHBondContact OE1-NZ 2.69Å
639L30.9Very low32.1Very low123 Ų12381.4 Ų81.464%0.64445%0.454SS*.Hα-helixtrans-76.7-14.4178.1-85.9146.9000114.6H635 I636 E637 G641H635-L639 PolarHBondContact O-N 3.2Å; I636-L639 PolarHBondContact O-N 3.04Å; E637-L639 PolarHBondContact O-N 3.19Å; L639-G641 PolarHBondContact O-N 3.39Å
640I35.3Very low31.5Very low78 Ų7884.3 Ų84.340%0.448%0.479SS..THydrogen-bonded Turntrans-90.532171.5-55.4164.2000110.4I636 E637 E638 L642I636-I640 WeakPolarHBondContact O-CG1 3.31Å; I636-I640 PolarHBondContact O-N 2.96Å; E637-I640 PolarHBondContact O-N 2.81Å; E638-I640 PolarHBondContact O-N 3.28Å; I640-L642 PolarHBondContact O-N 3.33Å
641G27.6Very low30.7Very low61 Ų6191.2 Ų91.263%0.62950%0.501SS*.THydrogen-bonded Turntrans74.721.5175.100000115.2E638 L639E638-G641 PolarHBondContact O-N 2.84Å; L639-G641 PolarHBondContact O-N 3.39Å
642L32Very low30.1Very low55 Ų5595.1 Ų95.129%0.28852%0.517SS..  trans-107.474.6171.8-78.1165.1000110.5E637 E638 I640E637-L642 WeakPolarHBondContact O-CB 3.35Å; E638-L642 WeakPolarHBondContact CA-O 3.26Å; E638-L642 VanDerWaalsContact CG-O 3.31Å; E638-L642 WeakPolarHBondContact CG-O 3.2Å; I640-L642 PolarHBondContact O-N 3.33Å
643D28.5Very low29.5Very low129 Ų12994.9 Ų94.969%0.6952%0.522SS*.  trans-123.5130.2166.5-145.6-6.4000111.6E638E638-D643 HydrophobicContact CG-CB 4.46Å
644G28.2Very low28.9Very low57 Ų57102.1 Ų102.159%0.58856%0.556SS**SBendtrans153.765.9-176.600000115.9
645F29.4Very low28.4Very low140 Ų140107 Ų10761%0.61458%0.582SS**  trans95.886.7157-60-82.1000119.2L682F645-L682 HydrophobicContact CD2-CB 4.2Å; F645-L682 HydrophobicContact CE2-CB 4.37Å; F645-L682 WeakPolarHBondContact CE2-O 3.36Å; F645-L682 VanDerWaalsContact CZ-O 3.22Å; F645-L682 WeakPolarHBondContact CZ-O 3.48Å
646K28Very low27.8Very low136 Ų136106.7 Ų106.759%0.59159%0.594SS**  trans-64.7129.5146.6-75.7168.5175.8138.30110.2E638E638-K646 IonicContact OE1-NZ 2.8Å; E638-K646 PolarHBondContact OE1-NZ 2.69Å
647S26.2Very low27.3Very low89 Ų89110.4 Ų110.462%0.62262%0.622SS**  153.8143.9107.467.30000114.5
648Q27.8Very low26.8Very low166 Ų166113 Ų11378%0.77665%0.645SS**  trans83.496.8168.3-53.8-157.9-8.300113.6
649G24.3Very low26.4Very low73 Ų73115 Ų11575%0.75367%0.665SS**  cis93.11404400000108.4
650S25Very low26.1Very low102 Ų102113.5 Ų113.571%0.71366%0.664SS**  trans86.392.6174.1-1710000116.5
651R23.5Very low25.6Very low219 Ų219114.6 Ų114.683%0.82668%0.679SS**  61.8133.5114.7-69.2172.4174.5174.6-1.1118.2
652K23.5Very low25.6Very low187 Ų187116.6 Ų116.681%0.81368%0.681SS**  trans73.6103.2145.4-77.7179.9177.5-173.80113
653S24.2Very low25.2Very low89 Ų89121.2 Ų121.262%0.62270%0.701SS**  102.9139.672.569.40000107.7
654Q23Very low25.1Very low163 Ų163122.3 Ų122.376%0.76270%0.701SS**  trans76.799.5160.9-59.6-171-2200113.3
655L21.8Very low24.8Very low159 Ų159125.5 Ų125.583%0.83271%0.709SS**  87.5145.275.3-97.2136.2000110.1
656A23Very low24.6Very low77 Ų77123.9 Ų123.964%0.63672%0.715SS**  trans73.9106.9164.900000113.2
657C22.1Very low24.3Very low120 Ų120124.7 Ų124.781%0.81173%0.725SS**  5512276.1-55.40000108
658S25Very low24.3Very low103 Ų103125.9 Ų125.972%0.7273%0.731SS**  179.1133.462.741.20000105.6
659S24.9Very low24.2Very low90 Ų90121.2 Ų121.263%0.62972%0.72SS**  99.9115.9104.766.10000109.7
660S25.3Very low24.2Very low90 Ų90124.2 Ų124.263%0.62971%0.713SS**  92.3134.2104.364.10000109.5
661S25.2Very low24.2Very low101 Ų101124.9 Ų124.971%0.70671%0.713SS**  cis-175.8-166.12.748.30000104.3
662P27.1Very low24.3Very low103 Ų103118.5 Ų118.567%0.66970%0.702SS**  -110.7-179.2-124.518.29000110.2
663E24.4Very low24.5Very low152 Ų152117.6 Ų117.671%0.7171%0.705SS**  143.9140.7124.1-77.6-176167.100113.6
664H24.8Very low24.7Very low152 Ų152120.6 Ų120.670%0.70471%0.713SS**  trans84.3104.1155.8-65.2-50.9000120
665V23.4Very low24.8Very low125 Ų125118.4 Ų118.476%0.75870%0.701SS**  103.2132.6121.6174.80000116.4
666S24.5Very low25Very low105 Ų105116.1 Ų116.173%0.73470%0.698SS**  trans95.1112.8158.9630000118.9
667L22.3Very low25.1Very low154 Ų154117.2 Ų117.281%0.80671%0.707SS**  trans-20.7142.8155.6-90.580000113.9
668P25.4Very low25.2Very low114 Ų114116.5 Ų116.574%0.7470%0.703SS**  -154.2154.18935.8-15.3000117.7
669A25Very low25.2Very low67 Ų67116.5 Ų116.555%0.55470%0.703SS**  trans48.1102.7140.400000119.6T671A669-T671 PolarHBondContact O-N 3.47Å
670F24.1Very low25.2Very low136 Ų136118.1 Ų118.160%0.59671%0.709SS**SBendtrans-56.275.4152.2-83.3-98.1000111.4I231 V237I231-F670 HydrophobicContact CG2-CZ 4.27Å; V237-F670 HydrophobicContact CG1-CZ 4.17Å; V237-F670 HydrophobicContact CG2-CE2 3.92Å; V237-F670 HydrophobicContact CG2-CZ 4Å
671T26.1Very low25.2Very low116 Ų116118.7 Ų118.771%0.71271%0.713SS**SBendtrans17078.2160.144.30000107.8A669A669-T671 PolarHBondContact O-N 3.47Å
672S25.2Very low25.2Very low85 Ų85120 Ų12059%0.59471%0.712SS**  trans-164.6-2.6166.253.60000116.7I674S672-I674 VanDerWaalsContact C-N 3.28Å; S672-I674 PolarHBondContact O-N 2.9Å
673L26.9Very low25.2Very low169 Ų169123.5 Ų123.589%0.88572%0.72SS**THydrogen-bonded Turntrans-87.145.5-177.9-13595.5000114.7
674I29.1Very low25.2Very low151 Ų151120.7 Ų120.777%0.77472%0.717SS**THydrogen-bonded Turntrans-122.911.2164.6-51.1-177.5000110.4S672S672-I674 VanDerWaalsContact C-N 3.28Å; S672-I674 PolarHBondContact O-N 2.9Å
675K26.1Very low25.3Very low118 Ų118122.2 Ų122.251%0.51372%0.716SS.*SBendtrans-111.757.7177-86.8-168.5169.4-158.60112.9E55E55-K675 VanDerWaalsContact CD-NZ 3.34Å; E55-K675 WeakPolarHBondContact OE1-CE 3.4Å; E55-K675 IonicContact OE1-NZ 3.59Å; E55-K675 PolarHBondContact OE1-NZ 3.26Å; E55-K675 WeakPolarHBondContact OE2-CE 3.11Å; E55-K675 IonicContact OE2-NZ 2.85Å; E55-K675 PolarHBondContact OE2-NZ 3.1Å
676S25.2Very low25.4Very low110 Ų110122.8 Ų122.877%0.76971%0.714SS**SBendtrans-178.160.7158.356.20000111.8
677A25.1Very low25.4Very low101 Ų101123.7 Ų123.784%0.83571%0.71SS**SBendtrans-155.743.3160.100000110
678S23.9Very low25.5Very low105 Ų105124.9 Ų124.973%0.73471%0.709SS**SBendtrans-170.570.1174.943.80000109.6
679S24.9Very low25.4Very low103 Ų103127 Ų12772%0.7271%0.713SS**  trans-174.3121.5150.432.20000110.6
680T25.9Very low25.3Very low123 Ų123129.4 Ų129.476%0.75572%0.721SS**  trans72.1134.2151.8650000117.1
681S25.3Very low25.3Very low102 Ų102134.5 Ų134.571%0.71374%0.736SS**  cis179.8132.3-5.450.70000104.3
682L25.2Very low25.2Very low129 Ų129133.7 Ų133.768%0.67574%0.736SS**  trans-114.990.5161.5-85.7169.4000107.8F645F645-L682 HydrophobicContact CD2-CB 4.2Å; F645-L682 HydrophobicContact CE2-CB 4.37Å; F645-L682 WeakPolarHBondContact CE2-O 3.36Å; F645-L682 VanDerWaalsContact CZ-O 3.22Å; F645-L682 WeakPolarHBondContact CZ-O 3.48Å
683Q27.4Very low25.2Very low177 Ų177140 Ų14083%0.82775%0.746SS**  trans-106.1110.5145.2-93.1-170.2-12.400105.8
684S23.9Very low25.1Very low93 Ų93138.4 Ų138.465%0.6574%0.739SS**  trans176.7107.6142.641.10000111.4
685R27.2Very low25.1Very low183 Ų183136.5 Ų136.569%0.69174%0.739SS**  trans-166.7101136.5-104.2172.6176.2-162.3-2.3107.2
686L25.8Very low24.9Very low137 Ų137138.9 Ų138.972%0.71776%0.756SS**  82.5108.383-100.5110.8000113.2
687L23.9Very low25Very low125 Ų125140.7 Ų140.765%0.65476%0.756SS**  59.4121.4120.9-79.2156.4000120.2
688K23.3Very low25.1Very low178 Ų178143.2 Ų143.277%0.77475%0.748SS**  trans67.5112.8138.8-72.5170.8177.5176.50117.1
689L23.2Very low25.2Very low160 Ų160146.5 Ų146.584%0.83875%0.749SS**  -179.5110.4115.5-93.9148.5000110.8
690T23.3Very low25.2Very low116 Ų116145.8 Ų145.871%0.71275%0.75SS**  trans19.3141.9139.2530000121.7
691R23.6Very low25.5Very low243 Ų243144.9 Ų144.992%0.91775%0.748SS**  trans81.4134.1161.6-70.4173.3171.8167.9-3.1114
692S24.9Very low25.7Very low100 Ų100146.7 Ų146.770%0.69976%0.755SS**  cis-173.7155.611.446.30000108.7
693R24.5Very low26Very low217 Ų217145.9 Ų145.982%0.81976%0.758SS**  trans49.7111.4138.3-85.5-170.2156.7133.3-5.6117.1
694D26.4Very low26.2Very low135 Ų135143.3 Ų143.372%0.72275%0.754SS**  153.9147.272.3-84.8-28.7000100.8
695S28.4Very low26.6Very low111 Ų111148.1 Ų148.178%0.77676%0.764SS**  cis-170.4130.832.243.70000106.9
696L22.7Very low26.7Very low169 Ų169145.2 Ų145.289%0.88577%0.771SS**  trans-71.4141.7156.8-110.1150.8000109.3
697I26.7Very low26.9Very low147 Ų147141.9 Ų141.975%0.75477%0.77SS**  trans173113.2157.4-92.9157.6000102.2
698K27.5Very low27.2Very low154 Ų154147.6 Ų147.667%0.6778%0.783SS**  cis-177.5150.847.4-111.5169177.3-175.60111.7
699F25Very low27.6Very low174 Ų174143.3 Ų143.376%0.76378%0.776SS**  trans57.5111.4144.6-59-51.1000118.4
700A26.2Very low28Very low89 Ų89140.7 Ų140.774%0.73677%0.77SS**  126.2134.369.100000103.5
701S30.3Very low28.3Very low103 Ų103139.4 Ų139.472%0.7277%0.766SS**  -168129.551.3-32.30000109.3
702T29.3Very low28.5Very low140 Ų140134.2 Ų134.286%0.85976%0.756SS**  trans53.9152.4134.548.70000124.9
703P32.1Very low28.7Very low113 Ų113136.7 Ų136.773%0.73476%0.756SS**  trans-129.6180-136.742.1-25.7000114.8
704T31.1Very low28.9Very low122 Ų122132.7 Ų132.775%0.74875%0.751SS**  trans-159.7123.4143.222.70000112.9
705K32.5Very low28.9Very low195 Ų195132.1 Ų132.185%0.84876%0.758SS**  trans53136.4135.4-64.1176.9179.8178.80118.5
706S30Very low29.1Very low122 Ų122132.1 Ų132.185%0.85376%0.755SS**  cis-179.5154.116.645.30000109.2
707G30.7Very low29.2Very low67 Ų67135.5 Ų135.569%0.69176%0.756SS**  trans126.883.2155.200000113.2
708R30.5Very low29Very low244 Ų244133.1 Ų133.192%0.92175%0.752SS**  58.212797.5-94.8-172.9170173-3.6112.4
709S31.6Very low29Very low89 Ų89131.1 Ų131.162%0.62275%0.754SS**  cis178.6155.3321.80000107.3
710S30.6Very low29Very low104 Ų104129.2 Ų129.273%0.72775%0.751SS**  trans60.8142.1144.358.70000118.9
711S29.9Very low29.1Very low89 Ų89129.9 Ų129.962%0.62275%0.746SS**  cis174.7146.5-2.952.40000106.5
712L28.7Very low29Very low135 Ų135133.4 Ų133.471%0.70775%0.749SS**  trans71.2116.6139.5-64.9162.2000119.6
713Q28.9Very low29.1Very low151 Ų151131.4 Ų131.471%0.70674%0.741SS**  89.5125.3118.5-82.8177.4-9.900120.9
714N28.8Very low28.8Very low134 Ų134130.8 Ų130.872%0.71774%0.738SS**  trans86103.2136.4-59-13.9000118.9
715S24.5Very low28.6Very low122 Ų122134.5 Ų134.585%0.85374%0.738SS**  50.6150.8120-121.40000121.9
716P33.1Very low28.4Very low112 Ų112134.3 Ų134.373%0.72773%0.732SS**  trans-101.7152.3-151.539.3-33.3000114.5
717R25.2Very low28.3Very low240 Ų240134.2 Ų134.291%0.90672%0.721SS**  trans178.4143.5133.8-110.6174.3171.6171.2-3.6111.3
718S23.3Very low28.1Very low96 Ų96138.5 Ų138.567%0.67172%0.721SS**  trans14132.6154.763.40000119.9
719T26.6Very low28.1Very low113 Ų113132.9 Ų132.969%0.69371%0.709SS**  179.6137.7106.9290000110.2
720D25.9Very low27.8Very low134 Ų134136.3 Ų136.372%0.71772%0.715SS**  trans54.8138.1135.7-50.6-23.8000118
721T28.2Very low27.7Very low102 Ų102136.1 Ų136.163%0.62671%0.714SS**  cis172.6144.644-12.50000103.1
722F28.6Very low27.5Very low177 Ų177138.4 Ų138.478%0.77672%0.719SS**  169.3141.273.1-111.7-61.9000108.1
723S29.7Very low27.5Very low99 Ų99139.4 Ų139.469%0.69272%0.724SS**  trans72.9129.6140.9-51.10000118.8
724C26.2Very low27.3Very low99 Ų99138.5 Ų138.567%0.66972%0.724SS**  cis-171.7140.616.4-116.90000110.3
725R27.4Very low27.1Very low201 Ų201139.7 Ų139.776%0.75873%0.729SS**  trans67.7132.6138.8-72.3-178.7-177.4-159.20.4117.2
726R29.2Very low27.3Very low191 Ų191137 Ų13772%0.72172%0.72SS**  cis-178.8157.121.9-108.5-167.7-169.9166.20.3103.6
727I26.2Very low26.9Very low120 Ų120139 Ų13962%0.61573%0.725SS**  cis179.2138.7-8.2-117.2-179.5000104.1
728F27.8Very low27Very low157 Ų157135 Ų13569%0.68972%0.721SS**  trans79.8113.5152.9-71.4-113.4000117.9
729D29.1Very low27.1Very low125 Ų125134.4 Ų134.467%0.66872%0.716SS**  76.1141.167.3-71.7-17.4000109.8
730E26.2Very low27.3Very low161 Ų161135.3 Ų135.375%0.75272%0.716SS**  cis168.4157.2-5.5-163.4175-148.200101.6
731S29Very low27.4Very low101 Ų101137.3 Ų137.371%0.70672%0.718SS**  trans69.2156.5164.583.90000114.7
732N25.9Very low27.5Very low137 Ų137136.7 Ų136.773%0.73372%0.718SS**  cis177166.3-11.7-104.5-25.7000103
733L28.3Very low27.5Very low155 Ų155135.9 Ų135.981%0.81272%0.716SS**  trans77.6112160.5-59.8128000116.2
734D25.1Very low27.4Very low133 Ų133135.7 Ų135.771%0.71172%0.715SS**  69.9124.676.8-101.8-17.2000114.9
735I24.6Very low27.4Very low158 Ų158136.5 Ų136.581%0.8172%0.717SS**  trans72.3130.5142.2-56.8160.2000117.6
736G28.5Very low27.4Very low65 Ų65134 Ų13467%0.6772%0.718SS**  trans130.881.1160.300000112
737N24.3Very low27Very low154 Ų154134 Ų13482%0.82472%0.723SS**  35.7122.687.5-89.9-10.9000114
738L27.3Very low27.1Very low158 Ų158136.3 Ų136.383%0.82774%0.735SS**  trans142.892.4143.3-75.3158.3000108.4
739S24.8Very low26.9Very low82 Ų82133.7 Ų133.757%0.57374%0.736SS**  76.4128.48476.40000112.4
740I30.7Very low26.7Very low132 Ų132135.6 Ų135.668%0.67774%0.741SS**  153.4108.7120.1-81.5154.5000110.7
741K29Very low26.7Very low176 Ų176136.1 Ų136.177%0.76574%0.744SS**  trans67.4138.7136.3-61.3180-169.2172.60117
742S28.9Very low26.6Very low90 Ų90136.7 Ų136.763%0.62975%0.748SS**  cis-172.8140.829.6-5.60000111.8
743H29.8Very low26.5Very low160 Ų160135.5 Ų135.574%0.74175%0.749SS**  trans70.6102.7140.1-58.6-44.8000118.3
744S27.3Very low26.3Very low95 Ų95134 Ų13466%0.66474%0.741SS**  76.714081.170.10000111.6
745T25.3Very low26.5Very low116 Ų116139.5 Ų139.571%0.71275%0.752SS**  cis178.3152.9514.90000105.3
746L27.6Very low26.5Very low149 Ų149141.1 Ų141.178%0.7875%0.754SS**  trans68.9119.3143.9-69159.7000121.1
747F22.2Very low26.6Very low189 Ų189141.6 Ų141.683%0.82976%0.759SS**  trans9.1132.8136.5-68.3-95.2000119.1
748I28.4Very low26.7Very low170 Ų170145.8 Ų145.887%0.87276%0.763SS**  179149.4112.9-85.2154000108.7
749S22.1Very low26.6Very low101 Ų101143.3 Ų143.371%0.70676%0.759SS**  trans-61.9167.2-178.9-165.40000114.6
750E24.9Very low26.7Very low165 Ų165142.5 Ų142.577%0.77176%0.764SS**  trans98.6114.8158.6-70.1176.9175.200119.8
751E25.9Very low26.5Very low173 Ų173142.7 Ų142.781%0.80877%0.766SS**  trans79125.7138.2-69-174.8156.300121.6
752S28.4Very low26.3Very low112 Ų112145.2 Ų145.278%0.78377%0.771SS**  trans88.4106.3143.571.10000119.5
753C23.2Very low26.1Very low113 Ų113144.5 Ų144.576%0.76477%0.766SS**  trans39.5130.7136-71.30000122.4
754D24.5Very low26.1Very low122 Ų122143.8 Ų143.865%0.65277%0.772SS**  trans77.897.9142.2-61.1-27000119.2
755R28.9Very low26Very low250 Ų250146.7 Ų146.794%0.94378%0.776SS**  -171.8125.699.5-95.2169-152.6-164.16.8111.6
756F25.5Very low26Very low191 Ų191149.1 Ų149.184%0.83878%0.784SS**  trans-65.4128.7-167.3-82.8-111.2000115.6
757G29.4Very low26Very low76 Ų76146.8 Ų146.878%0.78478%0.781SS**  trans-128.1102.6165.300000110.2S759G757-S759 PolarHBondContact O-N 2.89Å
758R26.3Very low26.2Very low242 Ų242145.6 Ų145.691%0.91378%0.782SS**  trans-63.4109.8-167.8-74.8-179.4175.7-134.4-0.2113.7
759S26.5Very low26.1Very low106 Ų106143.9 Ų143.974%0.74178%0.782SS**  trans-76.2117.1149.1173.70000108G757 N761G757-S759 PolarHBondContact O-N 2.89Å; S759-N761 PolarHBondContact O-N 3.43Å
760G25.3Very low26.2Very low65 Ų65142.5 Ų142.567%0.6778%0.784SS**  trans-74.884.6-173.500000112.7W762G760-W762 PolarHBondContact O-N 3.13Å
761N26.5Very low26.2Very low136 Ų136139.4 Ų139.473%0.72778%0.78SS**  trans-56.6126.4159.1-84.7-11.5000109.4S759 S763S759-N761 PolarHBondContact O-N 3.43Å; N761-S763 PolarHBondContact O-N 3.45Å
762W26.1Very low26.3Very low229 Ų229140.4 Ų140.487%0.86778%0.784SS**  trans-77.774.9166.1-71.492.9000109.1G760G760-W762 PolarHBondContact O-N 3.13Å
763S25Very low26.3Very low74 Ų74138.5 Ų138.552%0.51777%0.771SS.*  trans-109.6103.516555.10000107.9N761 E765N761-S763 PolarHBondContact O-N 3.45Å; S763-E765 PolarHBondContact O-N 3.39Å; S763-E765 VanDerWaalsContact O-N 3.14Å
764V28.8Very low26.8Very low145 Ų145137.4 Ų137.488%0.87977%0.765SS**  trans-85.273.8163.3-176.10000106.3
765E26.1Very low27.3Very low156 Ų156137.4 Ų137.473%0.72976%0.764SS**  trans-78136.8161-86.3-179.1154.700109S763 S767S763-E765 PolarHBondContact O-N 3.39Å; S763-E765 VanDerWaalsContact O-N 3.14Å; E765-S767 PolarHBondContact O-N 2.9Å; E765-S767 VanDerWaalsContact O-N 3.13Å; E765-S767 PolarHBondContact O-OG 3.26Å
766N24.6Very low27.7Very low167 Ų167132.7 Ų132.789%0.89375%0.75SS**  trans-40.2111.3174.8-67.9-21.6000112.6
767S27.3Very low28.5Very low101 Ų101124.9 Ų124.971%0.70672%0.716SS**  trans-152.6111.1162.331.80000111.5E765E765-S767 PolarHBondContact O-N 2.9Å; E765-S767 VanDerWaalsContact O-N 3.13Å; E765-S767 PolarHBondContact O-OG 3.26Å
768L27.5Very low29.1Very low163 Ų163128.4 Ų128.485%0.85371%0.712SS**  trans52.6125155.3-83.878.2000120.2
769P25.2Very low29.9Very low134 Ų134120 Ų12087%0.8769%0.69SS**SBendtrans-77124.7175.632.2-30.2000110.6
770G24.4Very low30.9Very low73 Ų73120.1 Ų120.175%0.75368%0.683SS**SBendtrans163.1-5.317000000120.8
771S24.7Very low32.3Very low99 Ų99118.6 Ų118.669%0.69266%0.659SS**  trans-157.597.4179.1-94.50000114.1
772H29.1Very low33.8Very low194 Ų194115.7 Ų115.790%0.89864%0.644SS**  trans-135.763.2160.3-70.6-64.5000110.2
773S27.1Very low35.2Very low72 Ų72108.9 Ų108.950%0.50363%0.629SS.*  trans-64.3131.5158.8480000109.6I775S773-I775 WeakPolarHBondContact O-CG1 3.2Å; S773-I775 PolarHBondContact O-N 3.42Å
774S33.1Very low36.7Very low91 Ų91113.6 Ų113.664%0.63664%0.64SS**SBendtrans34.7-4.2138.366.70000123.8
775I36.7Very low37.9Very low121 Ų121114.7 Ų114.762%0.62163%0.628SS**G310 helixtrans-78.3-26.7-169.1-62.1169.2000111.6S773 F777S773-I775 WeakPolarHBondContact O-CG1 3.2Å; S773-I775 PolarHBondContact O-N 3.42Å; I775-F777 PolarHBondContact O-N 3.17Å
776F35.7Very low39.2Very low151 Ų151107.5 Ų107.566%0.66260%0.595SS**G310 helixtrans-72.9-22.7-175.7-100.3-83.8000115.3
777F43.3Very low40.6Very low27 Ų27102.9 Ų102.912%0.11858%0.58CS.*G310 helixtrans-103.88-175.5-70.4-69.8000113.7I775 S779 L798 Q801 I802 R812I775-F777 PolarHBondContact O-N 3.17Å; F777-S779 VanDerWaalsContact C-N 3.34Å; F777-S779 PolarHBondContact O-N 2.95Å; F777-L798 HydrophobicContact CE1-CD1 4.32Å; F777-L798 HydrophobicContact CZ-CD1 4.49Å; F777-Q801 HydrophobicContact CE2-CG 4.33Å; F777-Q801 HydrophobicContact CZ-CG 4.24Å; F777-I802 HydrophobicContact CE1-CD1 4.41Å; F777-I802 HydrophobicContact CE1-CG1 3.79Å; F777-I802 HydrophobicContact CZ-CG1 4Å; F777-R812 PolarHBondContact O-NH1 3.11Å; F777-R812 PolarHBondContact O-NH2 3.29Å
778Q41.9Very low41.9Very low150 Ų150101.9 Ų101.970%0.70158%0.578SS**SBendtrans-69.1-30.4-173.6-132.1166.1-1.200113.5R812Q778-R812 PolarHBondContact O-NH2 3.18Å
779S44Very low43.3Very low65 Ų6597 Ų9746%0.45555%0.552SS.*SBendtrans-91.5136.617543.80000112.2F777F777-S779 VanDerWaalsContact C-N 3.34Å; F777-S779 PolarHBondContact O-N 2.95Å
780D46.9Very low44.7Very low109 Ų10994.4 Ų94.458%0.58355%0.55SS*.  trans-46139.3171.3-77.5-58.4000110.7D782 K815D780-D782 PolarHBondContact O-N 3.21Å; D780-K815 IonicContact OD1-NZ 2.72Å; D780-K815 PolarHBondContact OD1-NZ 3.44Å
781L55.4Low46.7Very low34 Ų3495.5 Ų95.518%0.17854%0.538CS..  trans-66.189.7173.4-84.1110.6000108.4P783 L786 L798 I802 C816L781-P783 WeakPolarHBondContact O-CD 3.25Å; L781-L786 HydrophobicContact CB-CD1 3.88Å; L781-L786 HydrophobicContact CB-CG 4.43Å; L781-L786 HydrophobicContact CD2-CD1 3.76Å; L781-L786 HydrophobicContact CD2-CD2 3.67Å; L781-L786 HydrophobicContact CD2-CG 3.81Å; L781-L786 HydrophobicContact CG-CD1 4.47Å; L781-L798 HydrophobicContact CD2-CD2 3.93Å; L781-I802 HydrophobicContact CD1-CD1 4.47Å; L781-I802 HydrophobicContact CD2-CD1 4.37Å; L781-C816 HydrophobicContact CD1-CB 3.9Å; L781-C816 WeakPolarHBondContact CD1-SG 3.38Å
782D57.1Low49.1Very low75 Ų7593.8 Ų93.840%0.40152%0.524SS..  trans-62.7122176.5-167.8-9.4000108.4D780 K784 R785 L786D780-D782 PolarHBondContact O-N 3.21Å; D782-K784 PolarHBondContact O-N 3.11Å; D782-K784 VanDerWaalsContact O-N 3.08Å; D782-K784 PolarHBondContact OD1-N 2.89Å; D782-R785 HydrophobicContact CB-CB 4.12Å; D782-R785 HydrophobicContact CB-CG 3.94Å; D782-R785 WeakPolarHBondContact O-CA 3.45Å; D782-R785 WeakPolarHBondContact O-CB 3.39Å; D782-R785 PolarHBondContact O-N 3.22Å; D782-L786 PolarHBondContact O-N 2.95Å
783P55.8Low51.2Low86 Ų8687.1 Ų87.156%0.55850%0.502SS*.Hα-helixtrans-55.4-28-179.916.8-29.7000112.7L781 L786 A787L781-P783 WeakPolarHBondContact O-CD 3.25Å; P783-L786 PolarHBondContact O-N 3.02Å; P783-A787 WeakPolarHBondContact O-CB 3.23Å; P783-A787 PolarHBondContact O-N 3.01Å
784K55Low53.4Low172 Ų17288.3 Ų88.375%0.74850%0.5SS*.Hα-helixtrans-67.5-37.2172.3-69.1-176.7179.4179.80112.7D782 A788D782-K784 PolarHBondContact O-N 3.11Å; D782-K784 VanDerWaalsContact O-N 3.08Å; D782-K784 PolarHBondContact OD1-N 2.89Å; K784-A788 PolarHBondContact O-N 2.91Å
785R54.7Low55.7Low169 Ų16984.4 Ų84.464%0.63847%0.472SS*.Hα-helixtrans-71.9-35.6175.6-71.7-179134.5-158.2-4.1111.9D782 A788D782-R785 HydrophobicContact CB-CB 4.12Å; D782-R785 HydrophobicContact CB-CG 3.94Å; D782-R785 WeakPolarHBondContact O-CA 3.45Å; D782-R785 WeakPolarHBondContact O-CB 3.39Å; D782-R785 PolarHBondContact O-N 3.22Å; R785-A788 PolarHBondContact O-N 3.3Å
786L54.1Low57.9Low4 Ų480.7 Ų80.72%0.02145%0.453CS..Hα-helixtrans-65.9-43.1173.1-87.1166.6000111.8L781 D782 P783 A788 L789 L795 L798 F820 H824L781-L786 HydrophobicContact CB-CD1 3.88Å; L781-L786 HydrophobicContact CB-CG 4.43Å; L781-L786 HydrophobicContact CD2-CD1 3.76Å; L781-L786 HydrophobicContact CD2-CD2 3.67Å; L781-L786 HydrophobicContact CD2-CG 3.81Å; L781-L786 HydrophobicContact CG-CD1 4.47Å; D782-L786 PolarHBondContact O-N 2.95Å; P783-L786 PolarHBondContact O-N 3.02Å; L786-A788 PolarHBondContact O-N 3.5Å; L786-L789 HydrophobicContact CD2-CD1 4.3Å; L786-L789 WeakPolarHBondContact O-CB 3.35Å; L786-L789 PolarHBondContact O-N 2.73Å; L786-L789 VanDerWaalsContact O-N 3.15Å; L786-L795 HydrophobicContact CD2-CD2 4.02Å; L786-L798 HydrophobicContact CD2-CD2 3.57Å; L786-F820 HydrophobicContact CD2-CD2 4.03Å; L786-F820 HydrophobicContact CD2-CE2 4.1Å; L786-H824 PolarHBondContact O-NE2 3.2Å
787A53.1Low60.1Low70 Ų7079.7 Ų79.758%0.57945%0.448SS*.Hα-helixtrans-63.7-27.4175.500000113.4P783 L789P783-A787 WeakPolarHBondContact O-CB 3.23Å; P783-A787 PolarHBondContact O-N 3.01Å; A787-L789 VanDerWaalsContact C-N 3.27Å; A787-L789 PolarHBondContact O-N 2.64Å
788A54.9Low61.9Low81 Ų8180 Ų8067%0.66945%0.45SS*.THydrogen-bonded Turntrans-74.5-11.9176.900000113.9K784 R785 L786 G790K784-A788 PolarHBondContact O-N 2.91Å; R785-A788 PolarHBondContact O-N 3.3Å; L786-A788 PolarHBondContact O-N 3.5Å; A788-G790 PolarHBondContact O-N 3.43Å
789L56.6Low64Low60 Ų6072.8 Ų72.831%0.31442%0.417SS..  trans-76.478.2173-70.8160.1000109.1L786 A787 N791 H794 L795 L798L786-L789 HydrophobicContact CD2-CD1 4.3Å; L786-L789 WeakPolarHBondContact O-CB 3.35Å; L786-L789 PolarHBondContact O-N 2.73Å; L786-L789 VanDerWaalsContact O-N 3.15Å; A787-L789 VanDerWaalsContact C-N 3.27Å; A787-L789 PolarHBondContact O-N 2.64Å; L789-N791 PolarHBondContact O-N 3.44Å; L789-H794 HydrophobicContact CB-CB 4.37Å; L789-H794 HydrophobicContact CD2-CB 4.08Å; L789-L795 HydrophobicContact CB-CD2 3.94Å; L789-L795 HydrophobicContact CB-CG 4.16Å; L789-L795 HydrophobicContact CD1-CD2 3.94Å; L789-L798 HydrophobicContact CD1-CD2 3.7Å
790G55Low65.9Low79 Ų7971.7 Ų71.781%0.81441%0.406SS*.  trans-67.225.9-169.800000117.3A788A788-G790 PolarHBondContact O-N 3.43Å
791N67.5Low67.6Low96 Ų9671.5 Ų71.551%0.51340%0.402SS..SBendtrans-154.1133.8170.5-144.7-24.1000111.6L789 A793 H794 L795L789-N791 PolarHBondContact O-N 3.44Å; N791-A793 PolarHBondContact O-N 2.91Å; N791-H794 WeakPolarHBondContact O-CB 3.32Å; N791-H794 PolarHBondContact O-N 2.94Å; N791-L795 PolarHBondContact O-N 3.47Å
792T75.1Confident69Low64 Ų6469.9 Ų69.939%0.39339%0.393SS..Hα-helixtrans-49.5-34.8179.2-45.20000111.8H794 L795 I796 V827T792-H794 PolarHBondContact O-N 3.42Å; T792-L795 PolarHBondContact O-N 2.93Å; T792-I796 HydrophobicContact CG2-CD1 4.1Å; T792-I796 VanDerWaalsContact O-CG1 3.24Å; T792-I796 WeakPolarHBondContact O-CG1 3.11Å; T792-I796 PolarHBondContact O-N 2.92Å; T792-V827 HydrophobicContact CG2-CG2 3.77Å
793A72.8Confident70.4Confident53 Ų5367.1 Ų67.144%0.43838%0.378SS..Hα-helixtrans-61.7-38.317600000113.8N791 I796 K797N791-A793 PolarHBondContact O-N 2.91Å; A793-I796 PolarHBondContact O-N 3.18Å; A793-K797 WeakPolarHBondContact O-CB 3.07Å; A793-K797 WeakPolarHBondContact O-CG 3.28Å; A793-K797 PolarHBondContact O-N 3.39Å
794H73.8Confident71.7Confident97 Ų9768.4 Ų68.445%0.44938%0.38SS..Hα-helixtrans-70.2-40.2177.1-70.797.3000111.2L789 N791 T792 K797 L798L789-H794 HydrophobicContact CB-CB 4.37Å; L789-H794 HydrophobicContact CD2-CB 4.08Å; N791-H794 WeakPolarHBondContact O-CB 3.32Å; N791-H794 PolarHBondContact O-N 2.94Å; T792-H794 PolarHBondContact O-N 3.42Å; H794-K797 PolarHBondContact O-N 2.72Å; H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.47Å
795L81Confident73Confident10 Ų1062.3 Ų62.35%0.05236%0.356CS..Hα-helixtrans-64.4-39.9173.8-70.6171.9000111.4L786 L789 N791 T792 L798 L799 F820 H824 V827L786-L795 HydrophobicContact CD2-CD2 4.02Å; L789-L795 HydrophobicContact CB-CD2 3.94Å; L789-L795 HydrophobicContact CB-CG 4.16Å; L789-L795 HydrophobicContact CD1-CD2 3.94Å; N791-L795 PolarHBondContact O-N 3.47Å; T792-L795 PolarHBondContact O-N 2.93Å; L795-L798 PolarHBondContact O-N 3.37Å; L795-L799 VanDerWaalsContact O-CB 3.26Å; L795-L799 WeakPolarHBondContact O-CB 3.39Å; L795-L799 PolarHBondContact O-N 2.86Å; L795-F820 HydrophobicContact CB-CE2 4.47Å; L795-F820 HydrophobicContact CB-CZ 3.97Å; L795-F820 HydrophobicContact CD2-CE2 4.05Å; L795-F820 HydrophobicContact CD2-CZ 4.25Å; L795-F820 WeakPolarHBondContact O-CZ 3.29Å; L795-H824 HydrophobicContact CD1-CB 4.37Å; L795-H824 WeakPolarHBondContact CD1-ND1 3.45Å; L795-V827 HydrophobicContact CB-CB 4.31Å; L795-V827 HydrophobicContact CB-CG1 3.86Å; L795-V827 HydrophobicContact CB-CG2 3.89Å; L795-V827 HydrophobicContact CD1-CG2 3.9Å
796I82.9Confident74Confident43 Ų4366.1 Ų66.122%0.22137%0.37CS..Hα-helixtrans-64.3-42.3172.9-68.6164.8000111T792 A793 L799 N800 V827 L830T792-I796 HydrophobicContact CG2-CD1 4.1Å; T792-I796 VanDerWaalsContact O-CG1 3.24Å; T792-I796 WeakPolarHBondContact O-CG1 3.11Å; T792-I796 PolarHBondContact O-N 2.92Å; A793-I796 PolarHBondContact O-N 3.18Å; I796-L799 PolarHBondContact O-N 3.26Å; I796-N800 WeakPolarHBondContact CG2-ND2 3.31Å; I796-N800 VanDerWaalsContact O-CB 3.25Å; I796-N800 WeakPolarHBondContact O-CB 3.41Å; I796-N800 VanDerWaalsContact O-CG 3.26Å; I796-N800 PolarHBondContact O-N 3.49Å; I796-N800 PolarHBondContact O-ND2 2.86Å; I796-V827 HydrophobicContact CB-CG1 4.46Å; I796-V827 HydrophobicContact CG1-CG1 3.6Å; I796-L830 HydrophobicContact CD1-CD2 3.45Å; I796-L830 VanDerWaalsContact CD1-CD2 3.45Å; I796-L830 HydrophobicContact CG1-CD2 4.3Å
797K81.1Confident75.1Confident130 Ų13074.4 Ų74.457%0.56541%0.409SS*.Hα-helixtrans-61.6-46.7175.1-81.2-177.2178.2-178.70111.2A793 H794 N800 Q801A793-K797 WeakPolarHBondContact O-CB 3.07Å; A793-K797 WeakPolarHBondContact O-CG 3.28Å; A793-K797 PolarHBondContact O-N 3.39Å; H794-K797 PolarHBondContact O-N 2.72Å; K797-N800 PolarHBondContact O-N 3.47Å; K797-Q801 WeakPolarHBondContact O-CB 3.41Å; K797-Q801 PolarHBondContact O-N 3.34Å
798L81.3Confident76.3Confident32 Ų3272 Ų7217%0.16839%0.386CS..Hα-helixtrans-61.9-44.8176.7-178.166.8000111.5F777 L781 L786 L789 H794 L795 Q801 I802 F820F777-L798 HydrophobicContact CE1-CD1 4.32Å; F777-L798 HydrophobicContact CZ-CD1 4.49Å; L781-L798 HydrophobicContact CD2-CD2 3.93Å; L786-L798 HydrophobicContact CD2-CD2 3.57Å; L789-L798 HydrophobicContact CD1-CD2 3.7Å; H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.47Å; L795-L798 PolarHBondContact O-N 3.37Å; L798-Q801 WeakPolarHBondContact O-CB 3.48Å; L798-Q801 PolarHBondContact O-N 2.7Å; L798-I802 HydrophobicContact CG-CD1 4.16Å; L798-I802 WeakPolarHBondContact O-CG1 3.32Å; L798-I802 PolarHBondContact O-N 3.1Å; L798-F820 HydrophobicContact CD2-CE2 4.32Å
799L85.7Confident77.5Confident0 Ų072.1 Ų72.10%038%0.375CS..Hα-helixtrans-63-42.4175.9-17761000111.2L795 I796 Q801 I802 L803 L817 F820 V827 R831L795-L799 VanDerWaalsContact O-CB 3.26Å; L795-L799 WeakPolarHBondContact O-CB 3.39Å; L795-L799 PolarHBondContact O-N 2.86Å; I796-L799 PolarHBondContact O-N 3.26Å; L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.09Å; L799-I802 PolarHBondContact O-N 3.19Å; L799-L803 HydrophobicContact CD1-CD1 4.23Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 3.92Å; L799-L803 HydrophobicContact CG-CG 4.36Å; L799-L803 VanDerWaalsContact O-CB 3.31Å; L799-L803 WeakPolarHBondContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.34Å; L799-L803 PolarHBondContact O-N 3.39Å; L799-L817 HydrophobicContact CD1-CD2 3.58Å; L799-F820 HydrophobicContact CB-CE1 4.05Å; L799-F820 HydrophobicContact CB-CE2 4.23Å; L799-F820 HydrophobicContact CB-CZ 3.81Å; L799-F820 HydrophobicContact CD1-CD1 3.92Å; L799-F820 HydrophobicContact CD1-CE1 4.11Å; L799-F820 HydrophobicContact CD1-CG 4.2Å; L799-F820 HydrophobicContact CD2-CD1 4.27Å; L799-F820 HydrophobicContact CD2-CE1 3.79Å; L799-F820 HydrophobicContact CD2-CZ 4.36Å; L799-F820 HydrophobicContact CG-CE1 4.21Å; L799-F820 HydrophobicContact CG-CZ 4.46Å; L799-V827 HydrophobicContact CD2-CG1 4.45Å; L799-R831 HydrophobicContact CD2-CB 3.48Å; L799-R831 VanDerWaalsContact CD2-CB 3.48Å; L799-R831 HydrophobicContact CD2-CG 3.79Å; L799-R831 HydrophobicContact CG-CB 4.48Å; L799-R831 HydrophobicContact CG-CG 4.31Å
800N84.4Confident78.7Confident42 Ų4270.2 Ų70.223%0.22537%0.367CS..Hα-helixtrans-63.1-37.7174.3-80.9-32.5000112.2I796 K797 L803 N804 R831I796-N800 WeakPolarHBondContact CG2-ND2 3.31Å; I796-N800 VanDerWaalsContact O-CB 3.25Å; I796-N800 WeakPolarHBondContact O-CB 3.41Å; I796-N800 VanDerWaalsContact O-CG 3.26Å; I796-N800 PolarHBondContact O-N 3.49Å; I796-N800 PolarHBondContact O-ND2 2.86Å; K797-N800 PolarHBondContact O-N 3.47Å; N800-L803 PolarHBondContact O-N 3.48Å; N800-N804 WeakPolarHBondContact O-CB 3.45Å; N800-N804 PolarHBondContact O-N 2.94Å; N800-N804 PolarHBondContact O-ND2 3.46Å; N800-R831 WeakPolarHBondContact OD1-CD 3.48Å; N800-R831 PolarHBondContact OD1-NE 2.98Å
801Q82.6Confident79.9Confident105 Ų10572.4 Ų72.449%0.49135%0.35SS..Hα-helixtrans-65.3-48.2175.1-164173.77.700110.5F777 K797 L798 L799 L803 N804 D805F777-Q801 HydrophobicContact CE2-CG 4.33Å; F777-Q801 HydrophobicContact CZ-CG 4.24Å; K797-Q801 WeakPolarHBondContact O-CB 3.41Å; K797-Q801 PolarHBondContact O-N 3.34Å; L798-Q801 WeakPolarHBondContact O-CB 3.48Å; L798-Q801 PolarHBondContact O-N 2.7Å; L799-Q801 VanDerWaalsContact C-N 3.32Å; L799-Q801 PolarHBondContact O-N 3.09Å; Q801-L803 VanDerWaalsContact C-N 3.31Å; Q801-L803 PolarHBondContact O-N 2.95Å; Q801-N804 PolarHBondContact O-N 3.06Å; Q801-D805 WeakPolarHBondContact O-CB 3.39Å; Q801-D805 PolarHBondContact O-N 3.25Å
802I84.3Confident80.6Confident0 Ų072.2 Ų72.20%034%0.343CS..Hα-helixtrans-56.8-43.7173.7-71.3168000111F777 L781 L798 L799 M808 K813 C816 L817F777-I802 HydrophobicContact CE1-CD1 4.41Å; F777-I802 HydrophobicContact CE1-CG1 3.79Å; F777-I802 HydrophobicContact CZ-CG1 4Å; L781-I802 HydrophobicContact CD1-CD1 4.47Å; L781-I802 HydrophobicContact CD2-CD1 4.37Å; L798-I802 HydrophobicContact CG-CD1 4.16Å; L798-I802 WeakPolarHBondContact O-CG1 3.32Å; L798-I802 PolarHBondContact O-N 3.1Å; L799-I802 PolarHBondContact O-N 3.19Å; I802-M808 HydrophobicContact CB-CE 4.16Å; I802-M808 HydrophobicContact CG1-CE 4.33Å; I802-M808 HydrophobicContact CG2-CE 3.71Å; I802-K813 WeakPolarHBondContact O-CE 3.38Å; I802-K813 PolarHBondContact O-NZ 3.03Å; I802-C816 HydrophobicContact CD1-CB 4.34Å; I802-C816 HydrophobicContact CG2-CB 4.34Å; I802-L817 HydrophobicContact CG2-CD2 3.84Å; I802-L817 HydrophobicContact CG2-CG 4.03Å
803L85.9Confident81.2Confident17 Ų1769.8 Ų69.89%0.08933%0.327CS..Hα-helixtrans-73.4-38.5-177.7-72.3173.2000113.4L799 N800 Q801 K813 L817 R831 F832 Y841L799-L803 HydrophobicContact CD1-CD1 4.23Å; L799-L803 HydrophobicContact CD1-CG 4.25Å; L799-L803 HydrophobicContact CG-CD1 3.92Å; L799-L803 HydrophobicContact CG-CG 4.36Å; L799-L803 VanDerWaalsContact O-CB 3.31Å; L799-L803 WeakPolarHBondContact O-CB 3.26Å; L799-L803 WeakPolarHBondContact O-CG 3.34Å; L799-L803 PolarHBondContact O-N 3.39Å; N800-L803 PolarHBondContact O-N 3.48Å; Q801-L803 VanDerWaalsContact C-N 3.31Å; Q801-L803 PolarHBondContact O-N 2.95Å; L803-K813 VanDerWaalsContact C-NZ 3.27Å; L803-K813 PolarHBondContact O-NZ 2.77Å; L803-L817 HydrophobicContact CD2-CD1 4.08Å; L803-L817 HydrophobicContact CD2-CD2 3.73Å; L803-L817 HydrophobicContact CG-CD2 4.28Å; L803-R831 HydrophobicContact CD1-CG 3.77Å; L803-F832 HydrophobicContact CD1-CE2 4.46Å; L803-F832 HydrophobicContact CD1-CZ 4.21Å; L803-F832 HydrophobicContact CD2-CE1 4.47Å; L803-F832 HydrophobicContact CD2-CE2 4.44Å; L803-F832 HydrophobicContact CD2-CZ 3.72Å; L803-Y841 HydrophobicContact CD2-CD1 4.18Å; L803-Y841 HydrophobicContact CD2-CE1 3.53Å; L803-Y841 HydrophobicContact CD2-CE2 4.17Å; L803-Y841 PolarHBondContact O-OH 3.43Å
804N83.4Confident81.8Confident112 Ų11268 Ų6860%0.59931%0.309SS*.Hα-helixtrans-86.1-18.7-177.6-67.4-22.4000113.3N800 Q801 R806N800-N804 WeakPolarHBondContact O-CB 3.45Å; N800-N804 PolarHBondContact O-N 2.94Å; N800-N804 PolarHBondContact O-ND2 3.46Å; Q801-N804 PolarHBondContact O-N 3.06Å; N804-R806 PolarHBondContact O-N 3.41Å
805D82.6Confident82.5Confident44 Ų4468.1 Ų68.124%0.23531%0.308CS..  trans-62.5108175.1-173.1-18.2000110.4Q801 E807 M808 K813Q801-D805 WeakPolarHBondContact O-CB 3.39Å; Q801-D805 PolarHBondContact O-N 3.25Å; D805-E807 PolarHBondContact OD1-N 3.22Å; D805-M808 HydrophobicContact CB-CB 4.26Å; D805-M808 PolarHBondContact OD1-N 3.37Å; D805-K813 PolarHBondContact O-NZ 3Å
806R75.8Confident82.6Confident249 Ų24968.1 Ų68.194%0.9431%0.309SS*.SBendtrans-81.4-19.4179.6-67.8-173.3178.4-174.31.1112.5N804N804-R806 PolarHBondContact O-N 3.41Å
807E77.8Confident82.8Confident179 Ų17966.1 Ų66.184%0.83630%0.299SS*.SBendtrans-91.7-21.4-175.2-61.9-173.6175.700112.4D805 N809D805-E807 PolarHBondContact OD1-N 3.22Å; E807-N809 PolarHBondContact O-N 3.04Å
808M77.6Confident83Confident18 Ų1864.4 Ų64.49%0.08929%0.293CS..SBendtrans-61.1127.1177.7-176.7157.657.600112.3I802 D805 R812 K813I802-M808 HydrophobicContact CB-CE 4.16Å; I802-M808 HydrophobicContact CG1-CE 4.33Å; I802-M808 HydrophobicContact CG2-CE 3.71Å; D805-M808 HydrophobicContact CB-CB 4.26Å; D805-M808 PolarHBondContact OD1-N 3.37Å; M808-R812 HydrophobicContact CG-CB 4.33Å; M808-R812 HydrophobicContact SD-CG 4.37Å; M808-K813 HydrophobicContact CE-CB 3.85Å; M808-K813 HydrophobicContact CE-CD 4.02Å; M808-K813 HydrophobicContact CE-CG 3.81Å; M808-K813 HydrophobicContact CG-CB 4.13Å; M808-K813 HydrophobicContact SD-CB 4.5Å
809N80.2Confident83Confident84 Ų8465.2 Ų65.245%0.44930%0.297SS..  trans-49.5128.1177.8-177.4-53.5000111E807 R811 R812 K813E807-N809 PolarHBondContact O-N 3.04Å; N809-R811 PolarHBondContact O-N 3.44Å; N809-R811 VanDerWaalsContact O-N 3.14Å; N809-R811 WeakPolarHBondContact OD1-CB 3.41Å; N809-R811 PolarHBondContact OD1-N 3.17Å; N809-R812 HydrophobicContact CB-CB 4.13Å; N809-R812 WeakPolarHBondContact O-CA 3.44Å; N809-R812 WeakPolarHBondContact O-CB 3.33Å; N809-R812 PolarHBondContact O-N 2.9Å; N809-K813 PolarHBondContact O-N 2.98Å
810P81.3Confident83Confident21 Ų2165.2 Ų65.214%0.13630%0.297CS..Hα-helixtrans-53.4-37.7-176.8-29.336.2000114.3K813 M814 L845 I849P810-K813 PolarHBondContact O-N 3.02Å; P810-M814 WeakPolarHBondContact O-CB 3.4Å; P810-M814 PolarHBondContact O-N 3.39Å; P810-L845 HydrophobicContact CB-CD1 3.96Å; P810-I849 HydrophobicContact CB-CD1 4.47Å; P810-I849 HydrophobicContact CB-CG1 3.62Å
811R81.7Confident83Confident125 Ų12567.4 Ų67.447%0.47230%0.302SS..Hα-helixtrans-66.8-42176.9-65.5-178.6178.6-118.4-3.9111.8N809 M814 K815 I849N809-R811 PolarHBondContact O-N 3.44Å; N809-R811 VanDerWaalsContact O-N 3.14Å; N809-R811 WeakPolarHBondContact OD1-CB 3.41Å; N809-R811 PolarHBondContact OD1-N 3.17Å; R811-M814 PolarHBondContact O-N 3.47Å; R811-K815 PolarHBondContact O-N 2.7Å; R811-I849 HydrophobicContact CG-CD1 4.3Å; R811-I849 HydrophobicContact CG-CG1 4.02Å; R811-I849 HydrophobicContact CG-CG2 3.78Å
812R81.2Confident83Confident92 Ų9270.1 Ų70.135%0.34731%0.312SS..Hα-helixtrans-66-44.2176.2-167.1-179.2-159.1164.817.4110.8F777 Q778 M808 N809 M814 K815 C816F777-R812 PolarHBondContact O-NH1 3.11Å; F777-R812 PolarHBondContact O-NH2 3.29Å; Q778-R812 PolarHBondContact O-NH2 3.18Å; M808-R812 HydrophobicContact CG-CB 4.33Å; M808-R812 HydrophobicContact SD-CG 4.37Å; N809-R812 HydrophobicContact CB-CB 4.13Å; N809-R812 WeakPolarHBondContact O-CA 3.44Å; N809-R812 WeakPolarHBondContact O-CB 3.33Å; N809-R812 PolarHBondContact O-N 2.9Å; R812-M814 VanDerWaalsContact C-N 3.3Å; R812-M814 PolarHBondContact O-N 2.96Å; R812-K815 WeakPolarHBondContact O-CB 3.32Å; R812-K815 PolarHBondContact O-N 3.11Å; R812-K815 VanDerWaalsContact O-N 3.14Å; R812-C816 PolarHBondContact O-N 3.38Å; R812-C816 PolarHBondContact O-SG 3.09Å
813K87.5Confident82.8Confident13 Ų1372 Ų726%0.05733%0.326CS..Hα-helixtrans-58.8-41175.9-171.9154.4177.1148.60112I802 L803 D805 M808 N809 P810 L817 Y841 L845I802-K813 WeakPolarHBondContact O-CE 3.38Å; I802-K813 PolarHBondContact O-NZ 3.03Å; L803-K813 VanDerWaalsContact C-NZ 3.27Å; L803-K813 PolarHBondContact O-NZ 2.77Å; D805-K813 PolarHBondContact O-NZ 3Å; M808-K813 HydrophobicContact CE-CB 3.85Å; M808-K813 HydrophobicContact CE-CD 4.02Å; M808-K813 HydrophobicContact CE-CG 3.81Å; M808-K813 HydrophobicContact CG-CB 4.13Å; M808-K813 HydrophobicContact SD-CB 4.5Å; N809-K813 PolarHBondContact O-N 2.98Å; P810-K813 PolarHBondContact O-N 3.02Å; K813-L817 HydrophobicContact CG-CD1 4.18Å; K813-L817 WeakPolarHBondContact O-CB 3.29Å; K813-L817 VanDerWaalsContact O-CG 3.25Å; K813-L817 WeakPolarHBondContact O-CG 3.47Å; K813-L817 PolarHBondContact O-N 2.78Å; K813-Y841 WeakPolarHBondContact CE-OH 3.14Å; K813-L845 HydrophobicContact CB-CD2 4.27Å; K813-L845 HydrophobicContact CG-CD1 4.46Å; K813-L845 HydrophobicContact CG-CD2 4.04Å
814M87.1Confident82.4Confident15 Ų1572.6 Ų72.67%0.07433%0.328CS..Hα-helixtrans-61.8-48.3173.8-176.365.880.900111.4P810 R811 R812 L817 Q818 L842 L845 Q846 I849P810-M814 WeakPolarHBondContact O-CB 3.4Å; P810-M814 PolarHBondContact O-N 3.39Å; R811-M814 PolarHBondContact O-N 3.47Å; R812-M814 VanDerWaalsContact C-N 3.3Å; R812-M814 PolarHBondContact O-N 2.96Å; M814-L817 PolarHBondContact O-N 3.39Å; M814-Q818 WeakPolarHBondContact O-CG 3.44Å; M814-Q818 PolarHBondContact O-N 3.37Å; M814-Q818 HydrophobicContact SD-CG 4.49Å; M814-L842 HydrophobicContact CE-CD2 4.47Å; M814-L842 WeakPolarHBondContact CE-O 3.37Å; M814-L842 HydrophobicContact SD-CD2 3.71Å; M814-L845 HydrophobicContact CB-CD2 3.98Å; M814-L845 HydrophobicContact CE-CB 4Å; M814-L845 HydrophobicContact CE-CD2 4Å; M814-L845 HydrophobicContact CE-CG 4.02Å; M814-L845 HydrophobicContact SD-CD2 4.23Å; M814-Q846 HydrophobicContact CE-CB 3.97Å; M814-I849 HydrophobicContact CB-CD1 3.81Å; M814-I849 HydrophobicContact CE-CD1 4.07Å; M814-I849 HydrophobicContact CG-CD1 4.25Å
815K86.6Confident82.4Confident100 Ų10070.1 Ų70.144%0.43532%0.318SS..Hα-helixtrans-58.3-50.8176.5-171.4-172.1174.8-164.40111.3D780 R811 R812 L817 Q818 D819D780-K815 IonicContact OD1-NZ 2.72Å; D780-K815 PolarHBondContact OD1-NZ 3.44Å; R811-K815 PolarHBondContact O-N 2.7Å; R812-K815 WeakPolarHBondContact O-CB 3.32Å; R812-K815 PolarHBondContact O-N 3.11Å; R812-K815 VanDerWaalsContact O-N 3.14Å; K815-L817 VanDerWaalsContact C-N 3.32Å; K815-L817 PolarHBondContact O-N 3.22Å; K815-Q818 PolarHBondContact O-N 2.93Å; K815-Q818 VanDerWaalsContact O-N 3.14Å; K815-D819 WeakPolarHBondContact O-CB 3.14Å; K815-D819 PolarHBondContact O-N 3.47Å
816C83.6Confident82.3Confident9 Ų972.5 Ų72.56%0.06133%0.331CS..Hα-helixtrans-58.8-41.4178.6-63.60000112.3L781 I802 R812 F820L781-C816 HydrophobicContact CD1-CB 3.9Å; L781-C816 WeakPolarHBondContact CD1-SG 3.38Å; I802-C816 HydrophobicContact CD1-CB 4.34Å; I802-C816 HydrophobicContact CG2-CB 4.34Å; R812-C816 PolarHBondContact O-N 3.38Å; R812-C816 PolarHBondContact O-SG 3.09Å; C816-F820 WeakPolarHBondContact O-CB 3.48Å; C816-F820 PolarHBondContact O-N 3.12Å
817L87.3Confident82.6Confident1 Ų160.7 Ų60.71%0.00529%0.286CS..Hα-helixtrans-69.2-35.9177.5-72.7170.9000112.6L799 I802 L803 K813 M814 K815 R821 F828 Y841 L842 L845L799-L817 HydrophobicContact CD1-CD2 3.58Å; I802-L817 HydrophobicContact CG2-CD2 3.84Å; I802-L817 HydrophobicContact CG2-CG 4.03Å; L803-L817 HydrophobicContact CD2-CD1 4.08Å; L803-L817 HydrophobicContact CD2-CD2 3.73Å; L803-L817 HydrophobicContact CG-CD2 4.28Å; K813-L817 HydrophobicContact CG-CD1 4.18Å; K813-L817 WeakPolarHBondContact O-CB 3.29Å; K813-L817 VanDerWaalsContact O-CG 3.25Å; K813-L817 WeakPolarHBondContact O-CG 3.47Å; K813-L817 PolarHBondContact O-N 2.78Å; M814-L817 PolarHBondContact O-N 3.39Å; K815-L817 VanDerWaalsContact C-N 3.32Å; K815-L817 PolarHBondContact O-N 3.22Å; L817-R821 VanDerWaalsContact O-CB 3.27Å; L817-R821 WeakPolarHBondContact O-CB 3.17Å; L817-R821 PolarHBondContact O-N 3.36Å; L817-F828 HydrophobicContact CB-CE2 4.48Å; L817-F828 HydrophobicContact CD2-CE2 4.35Å; L817-Y841 HydrophobicContact CD1-CD1 4.23Å; L817-Y841 HydrophobicContact CD1-CE1 3.72Å; L817-L842 HydrophobicContact CB-CD2 4.33Å; L817-L842 HydrophobicContact CD1-CD2 4.21Å; L817-L845 HydrophobicContact CD1-CD2 4Å
818Q85.2Confident82.9Confident94 Ų9452.1 Ų52.144%0.43925%0.246SC..Hα-helixtrans-69-42.6174.5-72.9-179.81.500111.6M814 K815 F820 R821 K822M814-Q818 WeakPolarHBondContact O-CG 3.44Å; M814-Q818 PolarHBondContact O-N 3.37Å; M814-Q818 HydrophobicContact SD-CG 4.49Å; K815-Q818 PolarHBondContact O-N 2.93Å; K815-Q818 VanDerWaalsContact O-N 3.14Å; Q818-F820 VanDerWaalsContact C-N 3.34Å; Q818-R821 PolarHBondContact O-N 3.48Å; Q818-K822 WeakPolarHBondContact O-CG 3.44Å; Q818-K822 PolarHBondContact O-N 2.99Å
819D82.6Confident83.2Confident49 Ų4955.2 Ų55.226%0.26226%0.257SS..Hα-helixtrans-66.5-38.2176.5-67.5-20.2000110.9K815 K822 S823K815-D819 WeakPolarHBondContact O-CB 3.14Å; K815-D819 PolarHBondContact O-N 3.47Å; D819-K822 PolarHBondContact O-N 3.05Å; D819-S823 WeakPolarHBondContact O-CB 3.21Å; D819-S823 PolarHBondContact O-N 3.43Å; D819-S823 PolarHBondContact O-OG 2.96Å
820F84.2Confident83.3Confident1 Ų156.9 Ų56.90%0.00427%0.265CS..Hα-helixtrans-66.5-41.5173.3-162.9-80.6000112.1L786 L795 L798 L799 C816 Q818 K822 S823 H824 V827 F828L786-F820 HydrophobicContact CD2-CD2 4.03Å; L786-F820 HydrophobicContact CD2-CE2 4.1Å; L795-F820 HydrophobicContact CB-CE2 4.47Å; L795-F820 HydrophobicContact CB-CZ 3.97Å; L795-F820 HydrophobicContact CD2-CE2 4.05Å; L795-F820 HydrophobicContact CD2-CZ 4.25Å; L795-F820 WeakPolarHBondContact O-CZ 3.29Å; L798-F820 HydrophobicContact CD2-CE2 4.32Å; L799-F820 HydrophobicContact CB-CE1 4.05Å; L799-F820 HydrophobicContact CB-CE2 4.23Å; L799-F820 HydrophobicContact CB-CZ 3.81Å; L799-F820 HydrophobicContact CD1-CD1 3.92Å; L799-F820 HydrophobicContact CD1-CE1 4.11Å; L799-F820 HydrophobicContact CD1-CG 4.2Å; L799-F820 HydrophobicContact CD2-CD1 4.27Å; L799-F820 HydrophobicContact CD2-CE1 3.79Å; L799-F820 HydrophobicContact CD2-CZ 4.36Å; L799-F820 HydrophobicContact CG-CE1 4.21Å; L799-F820 HydrophobicContact CG-CZ 4.46Å; C816-F820 WeakPolarHBondContact O-CB 3.48Å; C816-F820 PolarHBondContact O-N 3.12Å; Q818-F820 VanDerWaalsContact C-N 3.34Å; F820-K822 VanDerWaalsContact C-N 3.26Å; F820-K822 PolarHBondContact O-N 2.94Å; F820-S823 WeakPolarHBondContact CA-OG 3.46Å; F820-S823 PolarHBondContact O-N 2.69Å; F820-S823 PolarHBondContact O-OG 3.39Å; F820-H824 HydrophobicContact CD1-CB 4.41Å; F820-H824 HydrophobicContact CE1-CB 4.03Å; F820-H824 HydrophobicContact CZ-CB 4.28Å; F820-H824 CarbonylContact O-C 3.6Å; F820-H824 PolarHBondContact O-N 2.92Å; F820-V827 HydrophobicContact CE1-CB 3.88Å; F820-V827 HydrophobicContact CE1-CG1 3.82Å; F820-V827 HydrophobicContact CZ-CB 4.13Å; F820-V827 HydrophobicContact CZ-CG1 3.8Å; F820-F828 HydrophobicContact CD1-CB 4.19Å; F820-F828 HydrophobicContact CD1-CD2 4.33Å; F820-F828 HydrophobicContact CE1-CB 4.46Å
821R84.5Confident83.3Confident87 Ų8761.2 Ų61.233%0.32828%0.279SS..Hα-helixtrans-62.5-33.3174.6-176.9178176.2174.50.9112.1L817 Q818 P825 F828 E835L817-R821 VanDerWaalsContact O-CB 3.27Å; L817-R821 WeakPolarHBondContact O-CB 3.17Å; L817-R821 PolarHBondContact O-N 3.36Å; Q818-R821 PolarHBondContact O-N 3.48Å; R821-P825 WeakPolarHBondContact O-CA 3.49Å; R821-P825 WeakPolarHBondContact O-CB 3.18Å; R821-F828 HydrophobicContact CB-CD1 4.29Å; R821-F828 HydrophobicContact CB-CD2 3.89Å; R821-F828 HydrophobicContact CB-CE1 4.46Å; R821-F828 HydrophobicContact CB-CE2 4.06Å; R821-F828 HydrophobicContact CB-CG 4.01Å; R821-F828 HydrophobicContact CB-CZ 4.36Å; R821-F828 HydrophobicContact CG-CD1 3.99Å; R821-F828 HydrophobicContact CG-CD2 4.48Å; R821-F828 HydrophobicContact CG-CE1 4.14Å; R821-F828 HydrophobicContact CG-CG 4.18Å; R821-F828 HydrophobicContact CG-CZ 4.45Å; R821-E835 IonicContact NH2-OE1 3.62Å
822K83Confident83.2Confident162 Ų16256.1 Ų56.170%0.70426%0.26SS*.Hα-helixtrans-75.6-39.7176.4-73.4174-177.21750112.9Q818 D819 F820Q818-K822 WeakPolarHBondContact O-CG 3.44Å; Q818-K822 PolarHBondContact O-N 2.99Å; D819-K822 PolarHBondContact O-N 3.05Å; F820-K822 VanDerWaalsContact C-N 3.26Å; F820-K822 PolarHBondContact O-N 2.94Å
823S79.1Confident82.9Confident40 Ų4054.8 Ų54.828%0.2828%0.275SS..Hα-helixtrans-83.5-39.5-176.2480000113.5D819 F820D819-S823 WeakPolarHBondContact O-CB 3.21Å; D819-S823 PolarHBondContact O-N 3.43Å; D819-S823 PolarHBondContact O-OG 2.96Å; F820-S823 WeakPolarHBondContact CA-OG 3.46Å; F820-S823 PolarHBondContact O-N 2.69Å; F820-S823 PolarHBondContact O-OG 3.39Å
824H79Confident82.5Confident30 Ų3056.6 Ų56.614%0.13929%0.286CS..  trans-136.267.5-176.7-60.1-70.5000111.3L786 L795 F820 D826 V827 F828L786-H824 PolarHBondContact O-NE2 3.2Å; L795-H824 HydrophobicContact CD1-CB 4.37Å; L795-H824 WeakPolarHBondContact CD1-ND1 3.45Å; F820-H824 HydrophobicContact CD1-CB 4.41Å; F820-H824 HydrophobicContact CE1-CB 4.03Å; F820-H824 HydrophobicContact CZ-CB 4.28Å; F820-H824 CarbonylContact O-C 3.6Å; F820-H824 PolarHBondContact O-N 2.92Å; H824-D826 VanDerWaalsContact C-N 3.26Å; H824-D826 VanDerWaalsContact C-OD1 3.27Å; H824-D826 WeakPolarHBondContact CA-OD1 3.36Å; H824-D826 PolarHBondContact O-N 2.75Å; H824-V827 HydrophobicContact CB-CB 4.18Å; H824-V827 HydrophobicContact CB-CG2 4.24Å; H824-V827 PolarHBondContact O-N 3.04Å; H824-F828 WeakPolarHBondContact O-CB 3.21Å; H824-F828 PolarHBondContact O-N 3.22Å
825P83.1Confident82.1Confident60 Ų6061.6 Ų61.639%0.3931%0.309SS..Hα-helixtrans-60.7-37.3-178.824.3-33.2000112R821 V827 F828 W829R821-P825 WeakPolarHBondContact O-CA 3.49Å; R821-P825 WeakPolarHBondContact O-CB 3.18Å; P825-V827 PolarHBondContact O-N 2.88Å; P825-F828 PolarHBondContact O-N 2.78Å; P825-W829 WeakPolarHBondContact O-CB 3.46Å; P825-W829 VanDerWaalsContact O-CG 3.26Å; P825-W829 PolarHBondContact O-N 2.76Å
826D80.8Confident81.9Confident94 Ų9463.1 Ų63.150%0.50332%0.317SS..Hα-helixtrans-55.6-49.5176.261.7-34.9000112.3H824 W829 L830H824-D826 VanDerWaalsContact C-N 3.26Å; H824-D826 VanDerWaalsContact C-OD1 3.27Å; H824-D826 WeakPolarHBondContact CA-OD1 3.36Å; H824-D826 PolarHBondContact O-N 2.75Å; D826-W829 PolarHBondContact O-N 3.17Å; D826-L830 WeakPolarHBondContact O-CB 3.37Å; D826-L830 PolarHBondContact O-N 3.24Å
827V81.8Confident81.9Confident0 Ų068.6 Ų68.60%034%0.34CS..Hα-helixtrans-70.7-40.1179.4-178.50000111.6T792 L795 I796 L799 F820 H824 P825 W829 L830 R831T792-V827 HydrophobicContact CG2-CG2 3.77Å; L795-V827 HydrophobicContact CB-CB 4.31Å; L795-V827 HydrophobicContact CB-CG1 3.86Å; L795-V827 HydrophobicContact CB-CG2 3.89Å; L795-V827 HydrophobicContact CD1-CG2 3.9Å; I796-V827 HydrophobicContact CB-CG1 4.46Å; I796-V827 HydrophobicContact CG1-CG1 3.6Å; L799-V827 HydrophobicContact CD2-CG1 4.45Å; F820-V827 HydrophobicContact CE1-CB 3.88Å; F820-V827 HydrophobicContact CE1-CG1 3.82Å; F820-V827 HydrophobicContact CZ-CB 4.13Å; F820-V827 HydrophobicContact CZ-CG1 3.8Å; H824-V827 HydrophobicContact CB-CB 4.18Å; H824-V827 HydrophobicContact CB-CG2 4.24Å; H824-V827 PolarHBondContact O-N 3.04Å; P825-V827 PolarHBondContact O-N 2.88Å; V827-W829 VanDerWaalsContact C-N 3.31Å; V827-W829 PolarHBondContact O-N 3.45Å; V827-L830 PolarHBondContact O-N 2.91Å; V827-R831 PolarHBondContact O-N 3.46Å; V827-R831 VanDerWaalsContact O-N 3.11Å
828F84.2Confident81.7Confident0 Ų068.6 Ų68.60%034%0.34CS..Hα-helixtrans-56.6-48.1175.3-175.3-89000110.6L817 F820 R821 H824 P825 R831 F832 A838 L842L817-F828 HydrophobicContact CB-CE2 4.48Å; L817-F828 HydrophobicContact CD2-CE2 4.35Å; F820-F828 HydrophobicContact CD1-CB 4.19Å; F820-F828 HydrophobicContact CD1-CD2 4.33Å; F820-F828 HydrophobicContact CE1-CB 4.46Å; R821-F828 HydrophobicContact CB-CD1 4.29Å; R821-F828 HydrophobicContact CB-CD2 3.89Å; R821-F828 HydrophobicContact CB-CE1 4.46Å; R821-F828 HydrophobicContact CB-CE2 4.06Å; R821-F828 HydrophobicContact CB-CG 4.01Å; R821-F828 HydrophobicContact CB-CZ 4.36Å; R821-F828 HydrophobicContact CG-CD1 3.99Å; R821-F828 HydrophobicContact CG-CD2 4.48Å; R821-F828 HydrophobicContact CG-CE1 4.14Å; R821-F828 HydrophobicContact CG-CG 4.18Å; R821-F828 HydrophobicContact CG-CZ 4.45Å; H824-F828 WeakPolarHBondContact O-CB 3.21Å; H824-F828 PolarHBondContact O-N 3.22Å; P825-F828 PolarHBondContact O-N 2.78Å; F828-R831 PolarHBondContact O-N 2.95Å; F828-F832 HydrophobicContact CD1-CD2 4.02Å; F828-F832 HydrophobicContact CD1-CE2 4.48Å; F828-F832 HydrophobicContact CD2-CD2 4.22Å; F828-F832 AromaticContact CD2-CE2 3.95Å; F828-F832 HydrophobicContact CD2-CE2 3.95Å; F828-F832 AromaticContact CE1-CD2 3.73Å; F828-F832 HydrophobicContact CE1-CD2 3.73Å; F828-F832 HydrophobicContact CE1-CE2 4.01Å; F828-F832 AromaticContact CE2-CD2 3.95Å; F828-F832 HydrophobicContact CE2-CD2 3.95Å; F828-F832 AromaticContact CE2-CE2 3.42Å; F828-F832 HydrophobicContact CE2-CE2 3.42Å; F828-F832 VanDerWaalsContact CE2-CE2 3.42Å; F828-F832 HydrophobicContact CE2-CZ 4.42Å; F828-F832 HydrophobicContact CG-CD2 4.25Å; F828-F832 HydrophobicContact CG-CE2 4.45Å; F828-F832 AromaticContact CZ-CD2 3.68Å; F828-F832 HydrophobicContact CZ-CD2 3.68Å; F828-F832 AromaticContact CZ-CE2 3.44Å; F828-F832 HydrophobicContact CZ-CE2 3.44Å; F828-F832 VanDerWaalsContact CZ-CE2 3.44Å; F828-F832 HydrophobicContact CZ-CZ 4.34Å; F828-F832 WeakPolarHBondContact O-CD2 3.26Å; F828-F832 PolarHBondContact O-N 3.18Å; F828-A838 HydrophobicContact CE1-CB 3.82Å; F828-A838 HydrophobicContact CZ-CB 4.22Å; F828-L842 HydrophobicContact CZ-CD1 4.4Å
829W83.3Confident81.6Confident82 Ų8266.1 Ų66.131%0.31133%0.333SS..Hα-helixtrans-70.8-35.9179.5-65128.3000113.4P825 D826 V827 R831 F832 G833 E835 A838P825-W829 WeakPolarHBondContact O-CB 3.46Å; P825-W829 VanDerWaalsContact O-CG 3.26Å; P825-W829 PolarHBondContact O-N 2.76Å; D826-W829 PolarHBondContact O-N 3.17Å; V827-W829 VanDerWaalsContact C-N 3.31Å; V827-W829 PolarHBondContact O-N 3.45Å; W829-R831 PolarHBondContact O-N 3.46Å; W829-F832 PolarHBondContact O-N 3.41Å; W829-G833 WeakPolarHBondContact O-CA 3.39Å; W829-G833 PolarHBondContact O-N 2.88Å; W829-E835 HydrophobicContact CH2-CB 4.29Å; W829-E835 HydrophobicContact CH2-CG 4.03Å; W829-E835 HydrophobicContact CZ3-CB 4.15Å; W829-E835 HydrophobicContact CZ3-CG 4.31Å; W829-A838 HydrophobicContact CE3-CB 4.44Å; W829-A838 HydrophobicContact CH2-CB 4.47Å; W829-A838 HydrophobicContact CZ3-CB 3.67Å
830L82.3Confident81.7Confident119 Ų11967.5 Ų67.562%0.62334%0.341SS*.Hα-helixtrans-58.5-37.4174.1-159.888.8000111.7I796 D826 V827I796-L830 HydrophobicContact CD1-CD2 3.45Å; I796-L830 VanDerWaalsContact CD1-CD2 3.45Å; I796-L830 HydrophobicContact CG1-CD2 4.3Å; D826-L830 WeakPolarHBondContact O-CB 3.37Å; D826-L830 PolarHBondContact O-N 3.24Å; V827-L830 PolarHBondContact O-N 2.91Å
831R80.5Confident81.9Confident112 Ų11270.6 Ų70.642%0.42335%0.353SS..Hα-helixtrans-77.5-42.1-178.4178.957.7-172.1113.6-12.3113.8L799 N800 L803 V827 F828 W829L799-R831 HydrophobicContact CD2-CB 3.48Å; L799-R831 VanDerWaalsContact CD2-CB 3.48Å; L799-R831 HydrophobicContact CD2-CG 3.79Å; L799-R831 HydrophobicContact CG-CB 4.48Å; L799-R831 HydrophobicContact CG-CG 4.31Å; N800-R831 WeakPolarHBondContact OD1-CD 3.48Å; N800-R831 PolarHBondContact OD1-NE 2.98Å; L803-R831 HydrophobicContact CD1-CG 3.77Å; V827-R831 PolarHBondContact O-N 3.46Å; V827-R831 VanDerWaalsContact O-N 3.11Å; F828-R831 PolarHBondContact O-N 2.95Å; W829-R831 PolarHBondContact O-N 3.46Å
832F81.2Confident82Confident19 Ų1967.7 Ų67.78%0.08334%0.343CS..Hα-helixtrans-80.9-25.9-179.8-77.3-74.6000112.6L803 F828 W829 N834 K837 A838 Y841L803-F832 HydrophobicContact CD1-CE2 4.46Å; L803-F832 HydrophobicContact CD1-CZ 4.21Å; L803-F832 HydrophobicContact CD2-CE1 4.47Å; L803-F832 HydrophobicContact CD2-CE2 4.44Å; L803-F832 HydrophobicContact CD2-CZ 3.72Å; F828-F832 HydrophobicContact CD1-CD2 4.02Å; F828-F832 HydrophobicContact CD1-CE2 4.48Å; F828-F832 HydrophobicContact CD2-CD2 4.22Å; F828-F832 AromaticContact CD2-CE2 3.95Å; F828-F832 HydrophobicContact CD2-CE2 3.95Å; F828-F832 AromaticContact CE1-CD2 3.73Å; F828-F832 HydrophobicContact CE1-CD2 3.73Å; F828-F832 HydrophobicContact CE1-CE2 4.01Å; F828-F832 AromaticContact CE2-CD2 3.95Å; F828-F832 HydrophobicContact CE2-CD2 3.95Å; F828-F832 AromaticContact CE2-CE2 3.42Å; F828-F832 HydrophobicContact CE2-CE2 3.42Å; F828-F832 VanDerWaalsContact CE2-CE2 3.42Å; F828-F832 HydrophobicContact CE2-CZ 4.42Å; F828-F832 HydrophobicContact CG-CD2 4.25Å; F828-F832 HydrophobicContact CG-CE2 4.45Å; F828-F832 AromaticContact CZ-CD2 3.68Å; F828-F832 HydrophobicContact CZ-CD2 3.68Å; F828-F832 AromaticContact CZ-CE2 3.44Å; F828-F832 HydrophobicContact CZ-CE2 3.44Å; F828-F832 VanDerWaalsContact CZ-CE2 3.44Å; F828-F832 HydrophobicContact CZ-CZ 4.34Å; F828-F832 WeakPolarHBondContact O-CD2 3.26Å; F828-F832 PolarHBondContact O-N 3.18Å; W829-F832 PolarHBondContact O-N 3.41Å; F832-N834 PolarHBondContact O-N 3.32Å; F832-K837 WeakPolarHBondContact O-CD 3.43Å; F832-A838 HydrophobicContact CB-CB 3.79Å; F832-A838 VanDerWaalsContact CD1-CA 3.49Å; F832-A838 HydrophobicContact CD1-CB 4.01Å; F832-A838 HydrophobicContact CD2-CB 4Å; F832-A838 HydrophobicContact CG-CB 3.66Å; F832-Y841 HydrophobicContact CE1-CD1 4.11Å; F832-Y841 HydrophobicContact CE1-CD2 4.28Å; F832-Y841 AromaticContact CE1-CG 3.74Å; F832-Y841 HydrophobicContact CE1-CG 3.74Å; F832-Y841 HydrophobicContact CZ-CD1 4Å; F832-Y841 HydrophobicContact CZ-CG 4.12Å
833G73.3Confident82.2Confident64 Ų6462.6 Ų62.666%0.6633%0.328SS*.  trans74.9-31.3176.600000114.7W829W829-G833 WeakPolarHBondContact O-CA 3.39Å; W829-G833 PolarHBondContact O-N 2.88Å
834N79Confident82.5Confident51 Ų5168.1 Ų68.127%0.27334%0.343SS..SBendtrans-146.9157.5174.264.24.8000111.6F832 E836 K837 A838F832-N834 PolarHBondContact O-N 3.32Å; N834-E836 PolarHBondContact O-N 3.22Å; N834-K837 PolarHBondContact O-N 3.37Å; N834-K837 WeakPolarHBondContact OD1-CA 3.35Å; N834-K837 WeakPolarHBondContact OD1-CB 3.49Å; N834-K837 VanDerWaalsContact OD1-CD 3.26Å; N834-K837 WeakPolarHBondContact OD1-CD 3.46Å; N834-K837 WeakPolarHBondContact OD1-CG 3.38Å; N834-K837 PolarHBondContact OD1-N 2.92Å; N834-A838 PolarHBondContact O-N 2.78Å
835E80.6Confident82.8Confident120 Ų12067 Ų6756%0.56134%0.338SS*.Hα-helixtrans-63.9-32177.6-175.7162.8-152.400112.3R821 W829 A838 S839R821-E835 IonicContact NH2-OE1 3.62Å; W829-E835 HydrophobicContact CH2-CB 4.29Å; W829-E835 HydrophobicContact CH2-CG 4.03Å; W829-E835 HydrophobicContact CZ3-CB 4.15Å; W829-E835 HydrophobicContact CZ3-CG 4.31Å; E835-A838 PolarHBondContact O-N 3.21Å; E835-S839 VanDerWaalsContact O-CB 3.22Å; E835-S839 WeakPolarHBondContact O-CB 3.28Å; E835-S839 PolarHBondContact O-N 3.3Å; E835-S839 PolarHBondContact O-OG 3.08Å
836E82.1Confident83Confident132 Ų13267.7 Ų67.762%0.61734%0.336SS*.Hα-helixtrans-66.3-45.1178.8-158.3-165.3156.500112.4N834 S839 N840N834-E836 PolarHBondContact O-N 3.22Å; E836-S839 PolarHBondContact O-N 3.5Å; E836-N840 WeakPolarHBondContact O-CB 3.49Å; E836-N840 PolarHBondContact O-N 3.48Å; E836-N840 PolarHBondContact O-ND2 3.48Å
837K82.1Confident83.2Confident124 Ų12470.9 Ų70.954%0.53934%0.341SS..Hα-helixtrans-67.2-39.3176.8-72.6167.6-177.7172.90111.2F832 N834 Y841F832-K837 WeakPolarHBondContact O-CD 3.43Å; N834-K837 PolarHBondContact O-N 3.37Å; N834-K837 WeakPolarHBondContact OD1-CA 3.35Å; N834-K837 WeakPolarHBondContact OD1-CB 3.49Å; N834-K837 VanDerWaalsContact OD1-CD 3.26Å; N834-K837 WeakPolarHBondContact OD1-CD 3.46Å; N834-K837 WeakPolarHBondContact OD1-CG 3.38Å; N834-K837 PolarHBondContact OD1-N 2.92Å; K837-Y841 WeakPolarHBondContact O-CB 3.3Å; K837-Y841 PolarHBondContact O-N 2.95Å
838A83.9Confident83.2Confident0 Ų078 Ų780%037%0.368CS..Hα-helixtrans-61.2-49.4174.700000110.8F828 W829 F832 N834 E835 N840 Y841 L842F828-A838 HydrophobicContact CE1-CB 3.82Å; F828-A838 HydrophobicContact CZ-CB 4.22Å; W829-A838 HydrophobicContact CE3-CB 4.44Å; W829-A838 HydrophobicContact CH2-CB 4.47Å; W829-A838 HydrophobicContact CZ3-CB 3.67Å; F832-A838 HydrophobicContact CB-CB 3.79Å; F832-A838 VanDerWaalsContact CD1-CA 3.49Å; F832-A838 HydrophobicContact CD1-CB 4.01Å; F832-A838 HydrophobicContact CD2-CB 4Å; F832-A838 HydrophobicContact CG-CB 3.66Å; N834-A838 PolarHBondContact O-N 2.78Å; E835-A838 PolarHBondContact O-N 3.21Å; A838-N840 PolarHBondContact O-N 3.33Å; A838-Y841 PolarHBondContact O-N 3.45Å; A838-L842 WeakPolarHBondContact O-CB 3.35Å; A838-L842 VanDerWaalsContact O-CG 3.28Å; A838-L842 WeakPolarHBondContact O-CG 3.44Å; A838-L842 PolarHBondContact O-N 3.46Å
839S83.6Confident83.2Confident43 Ų4378.5 Ų78.530%0.30137%0.371SS..Hα-helixtrans-65.7-38.7179.4-60.40000112E835 E836 L842 S843E835-S839 VanDerWaalsContact O-CB 3.22Å; E835-S839 WeakPolarHBondContact O-CB 3.28Å; E835-S839 PolarHBondContact O-N 3.3Å; E835-S839 PolarHBondContact O-OG 3.08Å; E836-S839 PolarHBondContact O-N 3.5Å; S839-L842 PolarHBondContact O-N 2.89Å; S839-S843 WeakPolarHBondContact O-CB 3.21Å; S839-S843 PolarHBondContact O-N 3.18Å; S839-S843 PolarHBondContact O-OG 2.72Å
840N84.9Confident83Confident78 Ų7879.8 Ų79.842%0.41738%0.383SS..Hα-helixtrans-64.5-41.7174-78.9-26.4000111.5E836 A838 R844E836-N840 WeakPolarHBondContact O-CB 3.49Å; E836-N840 PolarHBondContact O-N 3.48Å; E836-N840 PolarHBondContact O-ND2 3.48Å; A838-N840 PolarHBondContact O-N 3.33Å; N840-R844 WeakPolarHBondContact O-CB 3.25Å; N840-R844 VanDerWaalsContact O-CG 3.24Å; N840-R844 WeakPolarHBondContact O-CG 3.2Å; N840-R844 PolarHBondContact O-N 3.43Å
841Y87.9Confident82.7Confident65 Ų6578.3 Ų78.326%0.25538%0.383SS..Hα-helixtrans-65.1-48.4175.3-172.9-85.8000111.5L803 K813 L817 F832 K837 A838 S843 R844 L845L803-Y841 HydrophobicContact CD2-CD1 4.18Å; L803-Y841 HydrophobicContact CD2-CE1 3.53Å; L803-Y841 HydrophobicContact CD2-CE2 4.17Å; L803-Y841 PolarHBondContact O-OH 3.43Å; K813-Y841 WeakPolarHBondContact CE-OH 3.14Å; L817-Y841 HydrophobicContact CD1-CD1 4.23Å; L817-Y841 HydrophobicContact CD1-CE1 3.72Å; F832-Y841 HydrophobicContact CE1-CD1 4.11Å; F832-Y841 HydrophobicContact CE1-CD2 4.28Å; F832-Y841 AromaticContact CE1-CG 3.74Å; F832-Y841 HydrophobicContact CE1-CG 3.74Å; F832-Y841 HydrophobicContact CZ-CD1 4Å; F832-Y841 HydrophobicContact CZ-CG 4.12Å; K837-Y841 WeakPolarHBondContact O-CB 3.3Å; K837-Y841 PolarHBondContact O-N 2.95Å; A838-Y841 PolarHBondContact O-N 3.45Å; Y841-S843 VanDerWaalsContact C-N 3.33Å; Y841-S843 PolarHBondContact O-N 3.11Å; Y841-R844 PolarHBondContact O-N 3.01Å; Y841-L845 WeakPolarHBondContact O-CB 3.48Å; Y841-L845 PolarHBondContact O-N 3.18Å
842L87.4Confident82.1Confident26 Ų2677 Ų7714%0.13638%0.382CS..Hα-helixtrans-62.5-39.9177-67.4174.7000111.3M814 L817 F828 A838 S839 L845 Q846M814-L842 HydrophobicContact CE-CD2 4.47Å; M814-L842 WeakPolarHBondContact CE-O 3.37Å; M814-L842 HydrophobicContact SD-CD2 3.71Å; L817-L842 HydrophobicContact CB-CD2 4.33Å; L817-L842 HydrophobicContact CD1-CD2 4.21Å; F828-L842 HydrophobicContact CZ-CD1 4.4Å; A838-L842 WeakPolarHBondContact O-CB 3.35Å; A838-L842 VanDerWaalsContact O-CG 3.28Å; A838-L842 WeakPolarHBondContact O-CG 3.44Å; A838-L842 PolarHBondContact O-N 3.46Å; S839-L842 PolarHBondContact O-N 2.89Å; L842-L845 CarbonylContact O-C 3.46Å; L842-L845 PolarHBondContact O-N 3.37Å; L842-Q846 WeakPolarHBondContact O-CB 3.26Å; L842-Q846 PolarHBondContact O-N 3.36Å
843S85.6Confident80.8Confident55 Ų5582.2 Ų82.239%0.38542%0.415SS..Hα-helixtrans-67-36.8176.4-61.70000112.4S839 Y841 R847S839-S843 WeakPolarHBondContact O-CB 3.21Å; S839-S843 PolarHBondContact O-N 3.18Å; S839-S843 PolarHBondContact O-OG 2.72Å; Y841-S843 VanDerWaalsContact C-N 3.33Å; Y841-S843 PolarHBondContact O-N 3.11Å; S843-R847 WeakPolarHBondContact O-CB 2.7Å; S843-R847 WeakPolarHBondContact O-CG 3.24Å; S843-R847 PolarHBondContact O-N 3.39Å
844R85.9Confident79.9Confident156 Ų15684.9 Ų84.959%0.58941%0.411SS*.Hα-helixtrans-67.6-38.6172.1-75.3174.970.8-178.24.7111.5N840 Y841 R848N840-R844 WeakPolarHBondContact O-CB 3.25Å; N840-R844 VanDerWaalsContact O-CG 3.24Å; N840-R844 WeakPolarHBondContact O-CG 3.2Å; N840-R844 PolarHBondContact O-N 3.43Å; Y841-R844 PolarHBondContact O-N 3.01Å; R844-R848 WeakPolarHBondContact O-CG 3.36Å; R844-R848 PolarHBondContact O-N 3.12Å
845L86.5Confident78.8Confident8 Ų884.8 Ų84.84%0.04241%0.413CS..Hα-helixtrans-68-41.3176.3-172.564.3000111.3P810 K813 M814 L817 Y841 L842 R848 I849P810-L845 HydrophobicContact CB-CD1 3.96Å; K813-L845 HydrophobicContact CB-CD2 4.27Å; K813-L845 HydrophobicContact CG-CD1 4.46Å; K813-L845 HydrophobicContact CG-CD2 4.04Å; M814-L845 HydrophobicContact CB-CD2 3.98Å; M814-L845 HydrophobicContact CE-CB 4Å; M814-L845 HydrophobicContact CE-CD2 4Å; M814-L845 HydrophobicContact CE-CG 4.02Å; M814-L845 HydrophobicContact SD-CD2 4.23Å; L817-L845 HydrophobicContact CD1-CD2 4Å; Y841-L845 WeakPolarHBondContact O-CB 3.48Å; Y841-L845 PolarHBondContact O-N 3.18Å; L842-L845 CarbonylContact O-C 3.46Å; L842-L845 PolarHBondContact O-N 3.37Å; L845-R848 WeakPolarHBondContact O-CB 3.27Å; L845-R848 PolarHBondContact O-N 3.18Å; L845-R848 VanDerWaalsContact O-N 3.16Å; L845-I849 WeakPolarHBondContact O-CG1 3.33Å; L845-I849 PolarHBondContact O-N 2.95Å
846Q86.9Confident77.5Confident74 Ų7482.1 Ų82.135%0.34641%0.408SS..Hα-helixtrans-62.2-46.5174.1-171.759.250.900110.8M814 L842 R848 I849 D850M814-Q846 HydrophobicContact CE-CB 3.97Å; L842-Q846 WeakPolarHBondContact O-CB 3.26Å; L842-Q846 PolarHBondContact O-N 3.36Å; Q846-R848 PolarHBondContact O-N 2.76Å; Q846-I849 CarbonylContact O-C 3.54Å; Q846-I849 WeakPolarHBondContact O-CA 3.4Å; Q846-I849 WeakPolarHBondContact O-CB 3.45Å; Q846-I849 PolarHBondContact O-N 3.22Å; Q846-D850 PolarHBondContact NE2-OD1 2.83Å; Q846-D850 PolarHBondContact O-N 3.01Å
847R84.1Confident76.6Confident161 Ų16180.7 Ų80.761%0.60841%0.408SS*.Hα-helixtrans-57.1-35.4172.7-81.4-174.6-85.9169.2-12.7113.2S843 D850 S851S843-R847 WeakPolarHBondContact O-CB 2.7Å; S843-R847 WeakPolarHBondContact O-CG 3.24Å; S843-R847 PolarHBondContact O-N 3.39Å; R847-D850 PolarHBondContact O-N 3.29Å; R847-S851 VanDerWaalsContact O-CB 3.27Å; R847-S851 WeakPolarHBondContact O-CB 2.98Å; R847-S851 PolarHBondContact O-N 3.18Å; R847-S851 PolarHBondContact O-OG 3.25Å
848R82Confident75.6Confident150 Ų15082.1 Ų82.157%0.56641%0.414SS*.Hα-helixtrans-68.7-34.9172.6-76.1-177.6179.5-179-0.8112.9R844 L845 Q846 S851 Q852R844-R848 WeakPolarHBondContact O-CG 3.36Å; R844-R848 PolarHBondContact O-N 3.12Å; L845-R848 WeakPolarHBondContact O-CB 3.27Å; L845-R848 PolarHBondContact O-N 3.18Å; L845-R848 VanDerWaalsContact O-N 3.16Å; Q846-R848 PolarHBondContact O-N 2.76Å; R848-S851 WeakPolarHBondContact CA-OG 3.47Å; R848-S851 PolarHBondContact O-OG 3.1Å; R848-S851 VanDerWaalsContact O-OG 3.12Å; R848-Q852 WeakPolarHBondContact O-CG 3.14Å; R848-Q852 PolarHBondContact O-N 3.33Å
849I83.3Confident74.8Confident10 Ų1086.9 Ų86.95%0.05144%0.436CS..Hα-helixtrans-68.3-39.6174.1-67.4165000110.3P810 R811 M814 L845 Q846 Q852P810-I849 HydrophobicContact CB-CD1 4.47Å; P810-I849 HydrophobicContact CB-CG1 3.62Å; R811-I849 HydrophobicContact CG-CD1 4.3Å; R811-I849 HydrophobicContact CG-CG1 4.02Å; R811-I849 HydrophobicContact CG-CG2 3.78Å; M814-I849 HydrophobicContact CB-CD1 3.81Å; M814-I849 HydrophobicContact CE-CD1 4.07Å; M814-I849 HydrophobicContact CG-CD1 4.25Å; L845-I849 WeakPolarHBondContact O-CG1 3.33Å; L845-I849 PolarHBondContact O-N 2.95Å; Q846-I849 CarbonylContact O-C 3.54Å; Q846-I849 WeakPolarHBondContact O-CA 3.4Å; Q846-I849 WeakPolarHBondContact O-CB 3.45Å; Q846-I849 PolarHBondContact O-N 3.22Å; I849-Q852 PolarHBondContact O-N 3.08Å
850D80.8Confident73.9Confident108 Ų10890.6 Ų90.658%0.57844%0.444SS*.Hα-helixtrans-74.5-35.4-179.8-57.8-25.6000111.3Q846 R847 Q852Q846-D850 PolarHBondContact NE2-OD1 2.83Å; Q846-D850 PolarHBondContact O-N 3.01Å; R847-D850 PolarHBondContact O-N 3.29Å; D850-Q852 VanDerWaalsContact C-N 3.3Å
851S75Confident73.3Confident89 Ų8991 Ų9162%0.62245%0.445SS*.Hα-helixtrans-74.5-20.2173.671.80000113.1R847 R848 T853R847-S851 VanDerWaalsContact O-CB 3.27Å; R847-S851 WeakPolarHBondContact O-CB 2.98Å; R847-S851 PolarHBondContact O-N 3.18Å; R847-S851 PolarHBondContact O-OG 3.25Å; R848-S851 WeakPolarHBondContact CA-OG 3.47Å; R848-S851 PolarHBondContact O-OG 3.1Å; R848-S851 VanDerWaalsContact O-OG 3.12Å; S851-T853 PolarHBondContact O-N 3.31Å
852Q67.4Low72.6Confident84 Ų8490.1 Ų90.139%0.39345%0.447SS..SBendtrans-71.390.8165.3-83.2-175.8-12.100107R848 I849 D850 Q854R848-Q852 WeakPolarHBondContact O-CG 3.14Å; R848-Q852 PolarHBondContact O-N 3.33Å; I849-Q852 PolarHBondContact O-N 3.08Å; D850-Q852 VanDerWaalsContact C-N 3.3Å; Q852-Q854 PolarHBondContact O-N 3.11Å; Q852-Q854 VanDerWaalsContact O-N 3.08Å
853T53.8Low71.8Confident128 Ų12891.2 Ų91.279%0.78545%0.452SS*.  trans-36.3118.7168.8-3.80000107.7S851 P855S851-T853 PolarHBondContact O-N 3.31Å; T853-P855 VanDerWaalsContact O-N 3.16Å
854Q55.9Low71.1Confident121 Ų12191 Ų9157%0.56546%0.455SS*.PPolyproline II helixtrans-49.5131.7175.6-73.1-144.21100107.3Q852 S856Q852-Q854 PolarHBondContact O-N 3.11Å; Q852-Q854 VanDerWaalsContact O-N 3.08Å; Q854-S856 PolarHBondContact O-N 3.47Å
855P55Low70.5Confident49 Ų4988 Ų8832%0.31845%0.449SS..PPolyproline II helixtrans-52.5122.8174.519.3-29000106.1T853 E859 R860T853-P855 VanDerWaalsContact O-N 3.16Å; P855-E859 VanDerWaalsContact CA-OE2 3.31Å; P855-E859 WeakPolarHBondContact CA-OE2 3.35Å; P855-E859 HydrophobicContact CB-CB 3.83Å; P855-R860 HydrophobicContact CB-CG 4.04Å; P855-R860 HydrophobicContact CG-CG 3.93Å; P855-R860 PolarHBondContact O-NE 2.71Å
856S54.4Low69.9Low64 Ų6494.1 Ų94.145%0.44847%0.472SS..PPolyproline II helixtrans-51.6155.4178.671.20000107.7Q854 F858 E859 R860Q854-S856 PolarHBondContact O-N 3.47Å; S856-F858 PolarHBondContact O-N 2.65Å; S856-F858 WeakPolarHBondContact OG-CB 3.44Å; S856-E859 WeakPolarHBondContact O-CA 3.31Å; S856-E859 PolarHBondContact O-N 2.95Å; S856-E859 PolarHBondContact OG-N 2.91Å; S856-E859 VanDerWaalsContact OG-N 3.11Å; S856-R860 PolarHBondContact O-N 2.97Å
857V62.9Low69Low102 Ų10299.3 Ų99.362%0.61849%0.488SS*.Hα-helixtrans-49-37.1175.8175.20000110R860 I861V857-R860 PolarHBondContact O-N 3.43Å; V857-I861 HydrophobicContact CG1-CD1 3.77Å; V857-I861 HydrophobicContact CG1-CG1 4.45Å; V857-I861 WeakPolarHBondContact O-CB 3.43Å; V857-I861 WeakPolarHBondContact O-CD1 3.46Å; V857-I861 WeakPolarHBondContact O-CG1 3.33Å; V857-I861 PolarHBondContact O-N 3.42Å
858F61.1Low68.3Low153 Ų153101.2 Ų101.267%0.67150%0.495SS*.Hα-helixtrans-62.6-42.4174.3-150.3-91.5000113.9S856 I861 T862S856-F858 PolarHBondContact O-N 2.65Å; S856-F858 WeakPolarHBondContact OG-CB 3.44Å; F858-I861 PolarHBondContact O-N 2.86Å; F858-T862 HydrophobicContact CD1-CG2 4.4Å; F858-T862 HydrophobicContact CE1-CG2 4.24Å; F858-T862 PolarHBondContact O-N 3.25Å; F858-T862 PolarHBondContact O-OG1 3.43Å
859E65.9Low67.6Low100 Ų100101.2 Ų101.247%0.46751%0.506SS..Hα-helixtrans-71.2-32.7177.3-136.1-176.4-179.800112.6P855 S856 T862 N863P855-E859 VanDerWaalsContact CA-OE2 3.31Å; P855-E859 WeakPolarHBondContact CA-OE2 3.35Å; P855-E859 HydrophobicContact CB-CB 3.83Å; S856-E859 WeakPolarHBondContact O-CA 3.31Å; S856-E859 PolarHBondContact O-N 2.95Å; S856-E859 PolarHBondContact OG-N 2.91Å; S856-E859 VanDerWaalsContact OG-N 3.11Å; E859-T862 WeakPolarHBondContact CA-OG1 3.09Å; E859-T862 PolarHBondContact O-OG1 3.28Å; E859-N863 VanDerWaalsContact O-CB 3.25Å; E859-N863 WeakPolarHBondContact O-CB 3.5Å; E859-N863 VanDerWaalsContact O-CG 3.27Å; E859-N863 PolarHBondContact O-N 3.19Å; E859-N863 PolarHBondContact O-ND2 3.21Å; E859-N863 VanDerWaalsContact O-ND2 3.07Å
860R65.6Low66.5Low121 Ų121108 Ų10846%0.45754%0.538SS..Hα-helixtrans-66.1-43.5169.9-67.6-177-143.2-171.72.2111.2P855 S856 V857 N863 A864P855-R860 HydrophobicContact CB-CG 4.04Å; P855-R860 HydrophobicContact CG-CG 3.93Å; P855-R860 PolarHBondContact O-NE 2.71Å; S856-R860 PolarHBondContact O-N 2.97Å; V857-R860 PolarHBondContact O-N 3.43Å; R860-N863 PolarHBondContact O-N 3.12Å; R860-A864 VanDerWaalsContact O-CB 3.22Å; R860-A864 WeakPolarHBondContact O-CB 3.35Å; R860-A864 PolarHBondContact O-N 3.48Å
861I72.4Confident64.8Low86 Ų86105.8 Ų105.844%0.44153%0.53SS..Hα-helixtrans-63.6-47.2177.3-70.1165000110.1V857 F858 N863 A864 L865V857-I861 HydrophobicContact CG1-CD1 3.77Å; V857-I861 HydrophobicContact CG1-CG1 4.45Å; V857-I861 WeakPolarHBondContact O-CB 3.43Å; V857-I861 WeakPolarHBondContact O-CD1 3.46Å; V857-I861 WeakPolarHBondContact O-CG1 3.33Å; V857-I861 PolarHBondContact O-N 3.42Å; F858-I861 PolarHBondContact O-N 2.86Å; I861-N863 PolarHBondContact O-N 3.29Å; I861-A864 PolarHBondContact O-N 2.91Å; I861-L865 HydrophobicContact CG2-CD1 3.85Å; I861-L865 HydrophobicContact CG2-CG 4.44Å; I861-L865 WeakPolarHBondContact O-CB 3.48Å; I861-L865 WeakPolarHBondContact O-CG 3.32Å; I861-L865 PolarHBondContact O-N 3.13Å
862T73.6Confident63.5Low48 Ų48107 Ų10729%0.29454%0.537SS..Hα-helixtrans-66.4-38.1178.434.60000112.5F858 E859 L865 R866F858-T862 HydrophobicContact CD1-CG2 4.4Å; F858-T862 HydrophobicContact CE1-CG2 4.24Å; F858-T862 PolarHBondContact O-N 3.25Å; F858-T862 PolarHBondContact O-OG1 3.43Å; E859-T862 WeakPolarHBondContact CA-OG1 3.09Å; E859-T862 PolarHBondContact O-OG1 3.28Å; T862-L865 PolarHBondContact O-N 2.98Å; T862-R866 WeakPolarHBondContact O-CB 3.22Å; T862-R866 PolarHBondContact O-N 2.78Å
863N68.9Low62.7Low48 Ų48109 Ų10926%0.25755%0.554SS.*Hα-helixtrans-69.2-35.9173.3-75.7-37.3000112.5E859 R860 I861 R866 R867E859-N863 VanDerWaalsContact O-CB 3.25Å; E859-N863 WeakPolarHBondContact O-CB 3.5Å; E859-N863 VanDerWaalsContact O-CG 3.27Å; E859-N863 PolarHBondContact O-N 3.19Å; E859-N863 PolarHBondContact O-ND2 3.21Å; E859-N863 VanDerWaalsContact O-ND2 3.07Å; R860-N863 PolarHBondContact O-N 3.12Å; I861-N863 PolarHBondContact O-N 3.29Å; N863-R866 PolarHBondContact O-N 2.75Å; N863-R866 PolarHBondContact OD1-NH1 3.19Å; N863-R867 WeakPolarHBondContact O-CG 2.98Å; N863-R867 PolarHBondContact O-N 3.28Å
864A71.3Confident62.4Low52 Ų52112.3 Ų112.343%0.4356%0.558SS.*Hα-helixtrans-66.1-41.4173.500000111.7R860 I861 R867 R868R860-A864 VanDerWaalsContact O-CB 3.22Å; R860-A864 WeakPolarHBondContact O-CB 3.35Å; R860-A864 PolarHBondContact O-N 3.48Å; I861-A864 PolarHBondContact O-N 2.91Å; A864-R867 PolarHBondContact O-N 3.41Å; A864-R868 PolarHBondContact O-N 3.26Å
865L73.2Confident61.8Low92 Ų92114.7 Ų114.748%0.48257%0.569SS.*Hα-helixtrans-64.2-43.7173.3-75.5168000111.5I861 T862 R867 R868 L869I861-L865 HydrophobicContact CG2-CD1 3.85Å; I861-L865 HydrophobicContact CG2-CG 4.44Å; I861-L865 WeakPolarHBondContact O-CB 3.48Å; I861-L865 WeakPolarHBondContact O-CG 3.32Å; I861-L865 PolarHBondContact O-N 3.13Å; T862-L865 PolarHBondContact O-N 2.98Å; L865-R867 VanDerWaalsContact C-N 3.32Å; L865-R867 PolarHBondContact O-N 2.67Å; L865-R868 PolarHBondContact O-N 3.15Å; L865-R868 VanDerWaalsContact O-N 3.15Å; L865-L869 PolarHBondContact O-N 3.33Å
866R73.6Confident61.1Low137 Ų137121.1 Ų121.152%0.51759%0.594SS.*Hα-helixtrans-63-37.4176.8-158.9-176.3-62.7128.11.3111.9T862 N863 L869 Q870T862-R866 WeakPolarHBondContact O-CB 3.22Å; T862-R866 PolarHBondContact O-N 2.78Å; N863-R866 PolarHBondContact O-N 2.75Å; N863-R866 PolarHBondContact OD1-NH1 3.19Å; R866-L869 PolarHBondContact O-N 3.08Å; R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.23Å; R866-Q870 PolarHBondContact O-N 3.28Å
867R69.1Low60.1Low183 Ų183128.9 Ų128.969%0.69163%0.631SS**Hα-helixtrans-68.8-35.9172.8-73.2-178.7-157.81525.2113N863 A864 L865 L869 Q870 S871N863-R867 WeakPolarHBondContact O-CG 2.98Å; N863-R867 PolarHBondContact O-N 3.28Å; A864-R867 PolarHBondContact O-N 3.41Å; L865-R867 VanDerWaalsContact C-N 3.32Å; L865-R867 PolarHBondContact O-N 2.67Å; R867-L869 VanDerWaalsContact C-N 3.34Å; R867-Q870 PolarHBondContact O-N 3.16Å; R867-S871 WeakPolarHBondContact O-CB 3.15Å; R867-S871 PolarHBondContact O-N 2.81Å
868R68.6Low60Low200 Ų200130.2 Ų130.276%0.75563%0.631SS**Hα-helixtrans-66.8-34.8172.4-100.7-175.9166.4173.9-4.2112.5A864 L865 S871A864-R868 PolarHBondContact O-N 3.26Å; L865-R868 PolarHBondContact O-N 3.15Å; L865-R868 VanDerWaalsContact O-N 3.15Å; R868-S871 PolarHBondContact O-OG 3.45Å
869L67Low59.9Low151 Ų151129 Ų12979%0.79163%0.629SS**Hα-helixtrans-72.6-28.8174.8-82.1154.9000113L865 R866 R867L865-L869 PolarHBondContact O-N 3.33Å; R866-L869 PolarHBondContact O-N 3.08Å; R867-L869 VanDerWaalsContact C-N 3.34Å
870Q60.3Low59.6Low152 Ų152130.6 Ų130.671%0.7164%0.638SS**Hα-helixtrans-94.8-11.5177.8-72-177.2-10.900114R866 R867 P872R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.23Å; R866-Q870 PolarHBondContact O-N 3.28Å; R867-Q870 PolarHBondContact O-N 3.16Å; Q870-P872 WeakPolarHBondContact O-CD 3.26Å
871S46.9Very low59.3Low61 Ų61131.2 Ų131.243%0.42765%0.649SS.*SBendtrans-73123.4169.362.40000108.3R867 R868 V873R867-S871 WeakPolarHBondContact O-CB 3.15Å; R867-S871 PolarHBondContact O-N 2.81Å; R868-S871 PolarHBondContact O-OG 3.45Å; S871-V873 PolarHBondContact O-N 2.85Å
872P47Very low58.4Low116 Ų116134 Ų13475%0.75366%0.662SS**  trans-57122172.523-29.3000107.4Q870 K874Q870-P872 WeakPolarHBondContact O-CD 3.26Å; P872-K874 PolarHBondContact O-N 3.24Å
873V50.7Low57.4Low125 Ų125139.7 Ų139.776%0.75869%0.687SS**  trans-52.9108169.1175.70000105.7S871 Q875S871-V873 PolarHBondContact O-N 2.85Å; V873-Q875 HydrophobicContact CG1-CG 4.17Å; V873-Q875 PolarHBondContact O-N 3.34Å
874K47.8Very low56.6Low198 Ų198146.3 Ų146.386%0.86172%0.717SS**  trans-66.795.1158.7-77.6-172.7174.9-173.90104.6P872 Q876P872-K874 PolarHBondContact O-N 3.24Å; K874-Q876 PolarHBondContact O-N 3.49Å
875Q42.4Very low55.5Low171 Ų171153.5 Ų153.580%0.79974%0.739SS**  trans-57.7109160.2-79.8175.7-42.600105.8V873V873-Q875 HydrophobicContact CG1-CG 4.17Å; V873-Q875 PolarHBondContact O-N 3.34Å
876Q40.8Very low54Low183 Ų183158.7 Ų158.786%0.85576%0.761SS**  trans-102.8114.5157.1-134.5168.9-12.500102.5K874K874-Q876 PolarHBondContact O-N 3.49Å
877D33.9Very low52.2Low227 Ų227160.6 Ų160.6100%1.21478%0.783SS**  trans81.80-166.2-53.6-23.6000117.1

Retrieved 877 of 877 residues in 830 ms (Link to these results)

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